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Metallo-beta-lactamase domain-containing protein 1

Endoribonuclease that catalyzes the hydrolysis of histone-coding pre-mRNA 3'-end. Involved in histone pre-mRNA processing during the S-phase of the cell cycle, which is required for entering/progressing through S-phase. Cleaves histone pre-mRNA at a major and a minor cleavage site after the 5'-ACCCA-3' and the 5'-ACCCACA-3' sequence, respectively, and located downstream of the stem-loop. May require the presence of the HDE element located at the histone pre-RNA 3'-end to avoid non-specific cleavage.

AlphaFold DB , UniProt , Accession G4M0T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

Structure Viewer

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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	73	Confident	94.5	Very high	185 Å²	185	52.7 Å²	52.7	91%	0.911	27%	0.268	S	S	*	.				0	132.2	0	-156.7	177.8	-75.8	0	0	105.7	P33	M1-P33 HydrophobicContact CB-CG 4.3Å; M1-P33 VanDerWaalsContact O-CD 3.26Å; M1-P33 WeakPolarHBondContact O-CD 3.45Å; M1-P33 WeakPolarHBondContact O-CG 2.94Å
2	K	88.6	Confident	94.8	Very high	83 Å²	83	56 Å²	56	36%	0.361	27%	0.274	S	S	.	.			trans	-73.7	158.4	179.5	-70.9	-175	172	-155.2	0	110.7	F114 D134 D136	K2-F114 HydrophobicContact CG-CE1 4.35Å; K2-D134 WeakPolarHBondContact CE-OD2 3.34Å; K2-D134 PolarHBondContact NZ-O 3.28Å; K2-D134 IonicContact NZ-OD1 2.81Å; K2-D134 PolarHBondContact NZ-OD1 3.49Å; K2-D134 IonicContact NZ-OD2 3.61Å; K2-D134 PolarHBondContact NZ-OD2 2.87Å; K2-D136 IonicContact NZ-OD1 2.81Å; K2-D136 PolarHBondContact NZ-OD1 2.81Å
3	Y	96.2	Very high	94.8	Very high	8 Å²	8	55.7 Å²	55.7	3%	0.031	28%	0.278	C	S	.	.			trans	-80.7	156.8	170.5	-76.7	-95.3	0	0	0	111.3	L30 K31 P33 K34 I36 D112 F114 I115 I135	Y3-L30 HydrophobicContact CD1-CB 3.88Å; Y3-L30 HydrophobicContact CE1-CB 4.38Å; Y3-K31 CarbonylContact C-O 3.56Å; Y3-K31 WeakPolarHBondContact CA-O 3.26Å; Y3-P33 HydrophobicContact CE2-CG 4.27Å; Y3-K34 HydrophobicContact CE1-CB 4.45Å; Y3-K34 VanDerWaalsContact CE1-O 3.25Å; Y3-K34 WeakPolarHBondContact CE1-O 3.35Å; Y3-K34 VanDerWaalsContact OH-CB 3.25Å; Y3-K34 WeakPolarHBondContact OH-CB 3.42Å; Y3-K34 PolarHBondContact OH-N 2.79Å; Y3-K34 VanDerWaalsContact OH-N 3.07Å; Y3-I36 HydrophobicContact CE1-CD1 4.24Å; Y3-D112 VanDerWaalsContact CE2-OD2 3.29Å; Y3-D112 WeakPolarHBondContact CE2-OD2 3.33Å; Y3-D112 PolarHBondContact OH-OD2 2.81Å; Y3-F114 HydrophobicContact CD2-CB 3.72Å; Y3-F114 HydrophobicContact CD2-CG 4.38Å; Y3-F114 HydrophobicContact CE2-CB 3.92Å; Y3-I115 HydrophobicContact CD1-CD1 4.16Å; Y3-I115 HydrophobicContact CD1-CG1 4.28Å; Y3-I115 HydrophobicContact CD2-CD1 3.78Å; Y3-I115 HydrophobicContact CD2-CG1 3.76Å; Y3-I115 HydrophobicContact CE1-CD1 4.3Å; Y3-I115 HydrophobicContact CE1-CG1 3.93Å; Y3-I115 HydrophobicContact CE2-CD1 3.93Å; Y3-I115 HydrophobicContact CE2-CG1 3.35Å; Y3-I115 HydrophobicContact CG-CD1 3.9Å; Y3-I115 HydrophobicContact CG-CG1 4.2Å; Y3-I115 VanDerWaalsContact CZ-CG1 3.45Å; Y3-I135 WeakPolarHBondContact O-CD1 3.16Å
4	S	96.1	Very high	94.7	Very high	60 Å²	60	64.4 Å²	64.4	42%	0.42	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.5	160.6	55	0	0	0	0	109.2	L30 K31	S4-L30 WeakPolarHBondContact O-CA 3.3Å; S4-K31 PolarHBondContact N-O 3.35Å; S4-K31 PolarHBondContact O-N 3.38Å; S4-K31 PolarHBondContact OG-O 3.1Å
5	I	97	Very high	94.4	Very high	26 Å²	26	70.3 Å²	70.3	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126	178	-48.8	-168.5	0	0	0	109.1	F7 L30 V132 I135 V141	I5-F7 HydrophobicContact CG2-CD1 4.12Å; I5-F7 HydrophobicContact CG2-CE1 3.63Å; I5-F7 HydrophobicContact CG2-CE2 4.45Å; I5-F7 HydrophobicContact CG2-CZ 3.82Å; I5-L30 HydrophobicContact CB-CD2 4.15Å; I5-L30 HydrophobicContact CD1-CD2 3.99Å; I5-L30 HydrophobicContact CG1-CD2 3.59Å; I5-L30 HydrophobicContact CG2-CD2 4.01Å; I5-V132 HydrophobicContact CD1-CB 4.4Å; I5-V132 HydrophobicContact CD1-CG1 4.24Å; I5-V132 HydrophobicContact CD1-CG2 4.4Å; I5-I135 HydrophobicContact CD1-CD1 4.42Å; I5-I135 HydrophobicContact CD1-CG1 4.01Å; I5-I135 HydrophobicContact CG1-CD1 3.96Å; I5-I135 HydrophobicContact CG1-CG1 4.08Å; I5-I135 HydrophobicContact CG1-CG2 4.34Å; I5-V141 HydrophobicContact CD1-CB 4.1Å; I5-V141 HydrophobicContact CD1-CG1 3.92Å; I5-V141 HydrophobicContact CD1-CG2 4.11Å
6	D	97	Very high	94.4	Very high	35 Å²	35	73.3 Å²	73.3	19%	0.187	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111	173	179.9	-7.9	0	0	0	108.5	I8 L29 K31 R56	D6-I8 PolarHBondContact O-N 3.09Å; D6-I8 VanDerWaalsContact O-N 3.09Å; D6-L29 HydrophobicContact CB-CB 4.29Å; D6-L29 PolarHBondContact N-O 2.94Å; D6-L29 PolarHBondContact O-N 2.85Å; D6-K31 IonicContact OD2-NZ 2.79Å; D6-K31 PolarHBondContact OD2-NZ 2.98Å; D6-R56 VanDerWaalsContact CG-NE 3.29Å; D6-R56 IonicContact OD1-CZ 3.47Å; D6-R56 IonicContact OD1-NE 3.46Å; D6-R56 PolarHBondContact OD1-NE 2.84Å; D6-R56 VanDerWaalsContact OD1-NE 3.14Å; D6-R56 IonicContact OD1-NH2 3.57Å; D6-R56 PolarHBondContact OD1-NH2 2.96Å; D6-R56 VanDerWaalsContact OD1-NH2 3.15Å; D6-R56 WeakPolarHBondContact OD2-CD 3.19Å; D6-R56 IonicContact OD2-CZ 3.85Å; D6-R56 IonicContact OD2-NE 3.37Å; D6-R56 PolarHBondContact OD2-NE 3.42Å
7	F	97.5	Very high	94.4	Very high	57 Å²	57	72.2 Å²	72.2	25%	0.25	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	93.7	174.2	-58.3	-61.8	0	0	0	108.9	I5 R9 T26 F138 V185 A191	I5-F7 HydrophobicContact CG2-CD1 4.12Å; I5-F7 HydrophobicContact CG2-CE1 3.63Å; I5-F7 HydrophobicContact CG2-CE2 4.45Å; I5-F7 HydrophobicContact CG2-CZ 3.82Å; F7-R9 PolarHBondContact O-N 2.82Å; F7-T26 HydrophobicContact CD1-CG2 4.29Å; F7-F138 HydrophobicContact CE2-CZ 4.45Å; F7-V185 HydrophobicContact CD1-CG1 4.26Å; F7-V185 HydrophobicContact CE1-CB 4.3Å; F7-V185 HydrophobicContact CE1-CG1 3.63Å; F7-V185 HydrophobicContact CE1-CG2 3.64Å; F7-V185 HydrophobicContact CZ-CG2 3.84Å; F7-A191 HydrophobicContact CE1-CB 4.3Å; F7-A191 HydrophobicContact CE2-CB 4.07Å; F7-A191 HydrophobicContact CZ-CB 3.64Å
8	I	98.5	Very high	93.9	Very high	11 Å²	11	74.6 Å²	74.6	6%	0.056	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	-40.1	174.6	-66.8	178.1	0	0	0	109.9	D6 I27 L29 L37 W48 L49 Q52 L53	D6-I8 PolarHBondContact O-N 3.09Å; D6-I8 VanDerWaalsContact O-N 3.09Å; I8-I27 HydrophobicContact CB-CB 4.15Å; I8-I27 HydrophobicContact CB-CG2 4.03Å; I8-I27 HydrophobicContact CD1-CG2 4.22Å; I8-I27 HydrophobicContact CG2-CG2 4.39Å; I8-I27 PolarHBondContact N-O 3.33Å; I8-L29 HydrophobicContact CD1-CB 3.82Å; I8-L29 HydrophobicContact CD1-CD2 4.21Å; I8-L29 HydrophobicContact CG1-CB 4.09Å; I8-L37 HydrophobicContact CD1-CD1 4.22Å; I8-W48 HydrophobicContact CG2-CH2 3.83Å; I8-W48 HydrophobicContact CG2-CZ3 4.12Å; I8-L49 HydrophobicContact CD1-CD1 4.04Å; I8-L49 HydrophobicContact CG2-CD1 3.97Å; I8-Q52 HydrophobicContact CG2-CB 3.7Å; I8-Q52 HydrophobicContact CG2-CG 3.95Å; I8-L53 HydrophobicContact CD1-CD2 3.74Å
9	R	98.4	Very high	93.5	Very high	17 Å²	17	79.3 Å²	79.3	6%	0.064	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.5	175	-165.3	164.6	65.5	-174.1	-0.9	109.8	F7 W12 C25 T26 I27 D45 W48	F7-R9 PolarHBondContact O-N 2.82Å; R9-W12 HydrophobicContact CG-CZ3 3.99Å; R9-C25 VanDerWaalsContact CZ-O 3.32Å; R9-C25 PolarHBondContact NE-O 2.89Å; R9-C25 PolarHBondContact NH2-O 3.09Å; R9-C25 PolarHBondContact NH2-SG 3.08Å; R9-C25 VanDerWaalsContact NH2-SG 3.38Å; R9-T26 WeakPolarHBondContact O-CA 3.15Å; R9-T26 WeakPolarHBondContact O-CG2 3.43Å; R9-I27 HydrophobicContact CB-CB 4.05Å; R9-I27 HydrophobicContact CB-CD1 4.39Å; R9-I27 HydrophobicContact CB-CG1 3.96Å; R9-I27 PolarHBondContact N-O 3.39Å; R9-I27 PolarHBondContact O-N 3.3Å; R9-D45 IonicContact CZ-OD2 2.79Å; R9-D45 IonicContact NH1-OD1 3.18Å; R9-D45 PolarHBondContact NH1-OD1 3.09Å; R9-D45 IonicContact NH1-OD2 3.3Å; R9-D45 PolarHBondContact NH1-OD2 2.78Å; R9-D45 IonicContact NH2-OD2 2.77Å; R9-D45 PolarHBondContact NH2-OD2 2.54Å; R9-W48 HydrophobicContact CB-CH2 3.86Å; R9-W48 HydrophobicContact CB-CZ3 4.38Å; R9-W48 HydrophobicContact CG-CH2 4.16Å
10	I	98.6	Very high	93.4	Very high	93 Å²	93	83.7 Å²	83.7	48%	0.477	39%	0.394	S	S	.	.			trans	-86.8	125.4	160.9	-64.6	171.2	0	0	0	107	P190	I10-P190 HydrophobicContact CG2-CB 4.02Å
11	G	98.5	Very high	93.3	Very high	5 Å²	5	85.7 Å²	85.7	5%	0.052	40%	0.401	C	S	.	.			trans	-67.8	165.7	-179.5	0	0	0	0	0	113.4	A24 T26 H188 G189	G11-A24 CarbonylContact C-O 3.6Å; G11-A24 WeakPolarHBondContact CA-O 3.41Å; G11-T26 PolarHBondContact N-OG1 2.79Å; G11-H188 VanDerWaalsContact C-C 3.45Å; G11-H188 CarbonylContact O-C 3.49Å; G11-G189 WeakPolarHBondContact O-CA 3.35Å; G11-G189 PolarHBondContact O-N 3.48Å
12	W	97.9	Very high	94.4	Very high	92 Å²	92	79.3 Å²	79.3	35%	0.348	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	154.2	173.6	68.7	86.9	0	0	0	111.3	R9 S23 A24 H188	R9-W12 HydrophobicContact CG-CZ3 3.99Å; W12-S23 VanDerWaalsContact O-CA 3.26Å; W12-S23 WeakPolarHBondContact O-CA 3.32Å; W12-S23 PolarHBondContact O-OG 2.83Å; W12-A24 HydrophobicContact CD2-CB 4.01Å; W12-A24 HydrophobicContact CE3-CB 3.95Å; W12-A24 HydrophobicContact CH2-CB 3.32Å; W12-A24 HydrophobicContact CZ2-CB 3.35Å; W12-A24 HydrophobicContact CZ3-CB 3.64Å; W12-A24 PolarHBondContact N-O 3.38Å; W12-A24 PolarHBondContact O-N 3.08Å; W12-H188 WeakPolarHBondContact CA-O 3.26Å
13	T	95.5	Very high	94.7	Very high	52 Å²	52	77.4 Å²	77.4	32%	0.319	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.6	162.5	-71.8	0	0	0	0	109.3	F21 S23 E149 H188	T13-F21 HydrophobicContact CG2-CD1 3.99Å; T13-S23 PolarHBondContact OG1-OG 2.95Å; T13-S23 VanDerWaalsContact OG1-OG 3.11Å; T13-E149 WeakPolarHBondContact CB-OE1 3.45Å; T13-E149 PolarHBondContact OG1-OE1 3.16Å; T13-H188 WeakPolarHBondContact OG1-CB 3.38Å; T13-H188 VanDerWaalsContact OG1-CG 3.29Å
14	R	92.9	Very high	94.8	Very high	177 Å²	177	77.2 Å²	77.2	67%	0.668	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.3	176.4	-63	-177.6	-172.5	-165.4	1.7	110.9	I16 F21 S22	R14-I16 PolarHBondContact O-N 3.1Å; R14-F21 CarbonylContact O-C 3.55Å; R14-F21 WeakPolarHBondContact O-CA 3.25Å; R14-S22 PolarHBondContact N-O 2.89Å; R14-S22 PolarHBondContact O-N 3.21Å
15	R	91	Very high	94.9	Very high	154 Å²	154	74.3 Å²	74.3	58%	0.581	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	126.2	172.7	-165.3	174.3	-173.7	-163.9	2	110.1	S17 D18 F21	R15-S17 VanDerWaalsContact CG-O 3.26Å; R15-S17 WeakPolarHBondContact CG-O 3.1Å; R15-S17 PolarHBondContact NE-O 2.83Å; R15-D18 IonicContact CZ-OD1 2.79Å; R15-D18 VanDerWaalsContact NH2-CA 3.29Å; R15-D18 PolarHBondContact NH2-O 2.79Å; R15-D18 IonicContact NH2-OD1 3.52Å; R15-D18 PolarHBondContact NH2-OD1 3.44Å; R15-D18 VanDerWaalsContact NH2-OD1 3.15Å; R15-F21 HydrophobicContact CB-CD1 3.92Å; R15-F21 HydrophobicContact CB-CE1 3.71Å; R15-F21 HydrophobicContact CB-CZ 4.48Å; R15-F21 HydrophobicContact CG-CD1 4.21Å; R15-F21 HydrophobicContact CG-CE1 3.78Å; R15-F21 HydrophobicContact CG-CZ 4.06Å
16	I	94.2	Very high	95	Very high	117 Å²	117	73.4 Å²	73.4	60%	0.6	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	-37.3	178.5	-55.4	-60.8	0	0	0	110.7	R14 Y20	R14-I16 PolarHBondContact O-N 3.1Å; I16-Y20 PolarHBondContact N-O 2.93Å
17	S	93.6	Very high	95.1	Very high	55 Å²	55	71.8 Å²	71.8	39%	0.385	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-169.9	174	68.2	0	0	0	0	110.8	R15 H19 Y20	R15-S17 VanDerWaalsContact CG-O 3.26Å; R15-S17 WeakPolarHBondContact CG-O 3.1Å; R15-S17 PolarHBondContact NE-O 2.83Å; S17-H19 PolarHBondContact O-N 2.95Å; S17-Y20 PolarHBondContact N-O 3.11Å; S17-Y20 PolarHBondContact O-N 3.25Å; S17-Y20 VanDerWaalsContact OG-CD2 3.25Å; S17-Y20 WeakPolarHBondContact OG-CD2 3.29Å
18	D	85.5	Confident	95.1	Very high	116 Å²	116	69.1 Å²	69.1	62%	0.62	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.9	-166.9	-81.6	-35.3	0	0	0	115.2	R15	R15-D18 IonicContact CZ-OD1 2.79Å; R15-D18 VanDerWaalsContact NH2-CA 3.29Å; R15-D18 PolarHBondContact NH2-O 2.79Å; R15-D18 IonicContact NH2-OD1 3.52Å; R15-D18 PolarHBondContact NH2-OD1 3.44Å; R15-D18 VanDerWaalsContact NH2-OD1 3.15Å
19	H	86.6	Confident	95.1	Very high	164 Å²	164	68.6 Å²	68.6	76%	0.759	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	7.4	-179.7	-57.8	-61.4	0	0	0	114	S17	S17-H19 PolarHBondContact O-N 2.95Å
20	Y	91	Very high	95.1	Very high	166 Å²	166	67.8 Å²	67.8	65%	0.651	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.1	-175.7	-67.7	-89.5	0	0	0	110.6	I16 S17	I16-Y20 PolarHBondContact N-O 2.93Å; S17-Y20 PolarHBondContact N-O 3.11Å; S17-Y20 PolarHBondContact O-N 3.25Å; S17-Y20 VanDerWaalsContact OG-CD2 3.25Å; S17-Y20 WeakPolarHBondContact OG-CD2 3.29Å
21	F	92.1	Very high	95.1	Very high	126 Å²	126	66.4 Å²	66.4	55%	0.553	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.3	175	-63.2	-97.7	0	0	0	108.8	T13 R14 R15	T13-F21 HydrophobicContact CG2-CD1 3.99Å; R14-F21 CarbonylContact O-C 3.55Å; R14-F21 WeakPolarHBondContact O-CA 3.25Å; R15-F21 HydrophobicContact CB-CD1 3.92Å; R15-F21 HydrophobicContact CB-CE1 3.71Å; R15-F21 HydrophobicContact CB-CZ 4.48Å; R15-F21 HydrophobicContact CG-CD1 4.21Å; R15-F21 HydrophobicContact CG-CE1 3.78Å; R15-F21 HydrophobicContact CG-CZ 4.06Å
22	S	94.7	Very high	94.9	Very high	52 Å²	52	67.6 Å²	67.6	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.5	162.2	175.2	0	0	0	0	106.8	R14	R14-S22 PolarHBondContact N-O 2.89Å; R14-S22 PolarHBondContact O-N 3.21Å
23	S	95.7	Very high	94.9	Very high	42 Å²	42	66.6 Å²	66.6	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.7	178.6	-168.3	0	0	0	0	111.2	W12 T13 D74 H188	W12-S23 VanDerWaalsContact O-CA 3.26Å; W12-S23 WeakPolarHBondContact O-CA 3.32Å; W12-S23 PolarHBondContact O-OG 2.83Å; T13-S23 PolarHBondContact OG1-OG 2.95Å; T13-S23 VanDerWaalsContact OG1-OG 3.11Å; S23-D74 PolarHBondContact OG-OD2 2.79Å; S23-H188 PolarHBondContact OG-CE1 2.94Å; S23-H188 PolarHBondContact OG-ND1 3.17Å; S23-H188 PolarHBondContact OG-NE2 2.83Å
24	A	98	Very high	94.9	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.033	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140	164.4	0	0	0	0	0	109.6	G11 W12 H188	G11-A24 CarbonylContact C-O 3.6Å; G11-A24 WeakPolarHBondContact CA-O 3.41Å; W12-A24 HydrophobicContact CD2-CB 4.01Å; W12-A24 HydrophobicContact CE3-CB 3.95Å; W12-A24 HydrophobicContact CH2-CB 3.32Å; W12-A24 HydrophobicContact CZ2-CB 3.35Å; W12-A24 HydrophobicContact CZ3-CB 3.64Å; W12-A24 PolarHBondContact N-O 3.38Å; W12-A24 PolarHBondContact O-N 3.08Å; A24-H188 PolarHBondContact O-ND1 3.08Å
25	C	98.6	Very high	95.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.			trans	-71.1	158.4	-179.7	79.2	0	0	0	0	113	R9 D39 G41 D74 H75 G187	R9-C25 VanDerWaalsContact CZ-O 3.32Å; R9-C25 PolarHBondContact NE-O 2.89Å; R9-C25 PolarHBondContact NH2-O 3.09Å; R9-C25 PolarHBondContact NH2-SG 3.08Å; R9-C25 VanDerWaalsContact NH2-SG 3.38Å; C25-D39 HydrophobicContact CB-CB 4.48Å; C25-G41 VanDerWaalsContact SG-CA 3.55Å; C25-D74 WeakPolarHBondContact CB-O 3.38Å; C25-D74 PolarHBondContact SG-O 2.77Å; C25-H75 WeakPolarHBondContact CB-CE1 3.47Å; C25-H75 WeakPolarHBondContact CB-NE2 3.46Å; C25-G187 CarbonylContact C-O 3.36Å; C25-G187 VanDerWaalsContact CA-O 3.23Å; C25-G187 WeakPolarHBondContact CA-O 3.37Å
26	T	98.9	Very high	95.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.043	28%	0.278	C	S	.	.			trans	-65.5	131.4	160.6	-61.9	0	0	0	0	109	F7 R9 G11 V185 P186 G187 G189	F7-T26 HydrophobicContact CD1-CG2 4.29Å; R9-T26 WeakPolarHBondContact O-CA 3.15Å; R9-T26 WeakPolarHBondContact O-CG2 3.43Å; G11-T26 PolarHBondContact N-OG1 2.79Å; T26-V185 HydrophobicContact CG2-CG1 3.59Å; T26-P186 VanDerWaalsContact CB-O 3.27Å; T26-P186 WeakPolarHBondContact CB-O 3.42Å; T26-P186 PolarHBondContact OG1-O 3.23Å; T26-G187 PolarHBondContact N-O 3.1Å; T26-G187 PolarHBondContact OG1-O 2.85Å; T26-G189 PolarHBondContact OG1-O 3.01Å
27	I	98.8	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.1	175.5	-52.4	-172	0	0	0	107.7	I8 R9 L37 D39 W48 L49	I8-I27 HydrophobicContact CB-CB 4.15Å; I8-I27 HydrophobicContact CB-CG2 4.03Å; I8-I27 HydrophobicContact CD1-CG2 4.22Å; I8-I27 HydrophobicContact CG2-CG2 4.39Å; I8-I27 PolarHBondContact N-O 3.33Å; R9-I27 HydrophobicContact CB-CB 4.05Å; R9-I27 HydrophobicContact CB-CD1 4.39Å; R9-I27 HydrophobicContact CB-CG1 3.96Å; R9-I27 PolarHBondContact N-O 3.39Å; R9-I27 PolarHBondContact O-N 3.3Å; I27-L37 HydrophobicContact CG2-CD1 4.41Å; I27-L37 HydrophobicContact CG2-CG 4.43Å; I27-D39 VanDerWaalsContact CG1-O 3.29Å; I27-D39 WeakPolarHBondContact CG1-O 3.33Å; I27-W48 HydrophobicContact CD1-CZ3 4.01Å; I27-L49 HydrophobicContact CD1-CD1 4.28Å; I27-L49 HydrophobicContact CD1-CD2 4.41Å; I27-L49 HydrophobicContact CG2-CD1 4.19Å
28	S	98.7	Very high	96	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.5	-177.4	-57.7	0	0	0	0	111.1	L37 V38	S28-L37 WeakPolarHBondContact O-CA 3.42Å; S28-V38 PolarHBondContact N-O 2.91Å; S28-V38 VanDerWaalsContact N-O 3.14Å; S28-V38 PolarHBondContact O-N 3.38Å
29	L	98.7	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.5	173.7	178.7	66.4	0	0	0	109.4	D6 I8 K31 L35 L37 L53 V58 I63	D6-L29 HydrophobicContact CB-CB 4.29Å; D6-L29 PolarHBondContact N-O 2.94Å; D6-L29 PolarHBondContact O-N 2.85Å; I8-L29 HydrophobicContact CD1-CB 3.82Å; I8-L29 HydrophobicContact CD1-CD2 4.21Å; I8-L29 HydrophobicContact CG1-CB 4.09Å; L29-K31 HydrophobicContact CD2-CD 4.47Å; L29-K31 HydrophobicContact CD2-CG 4.38Å; L29-K31 HydrophobicContact CG-CG 4.16Å; L29-L35 HydrophobicContact CD1-CD1 3.82Å; L29-L35 HydrophobicContact CD1-CG 4.26Å; L29-L35 HydrophobicContact CG-CD1 4.37Å; L29-L37 HydrophobicContact CD1-CB 4.46Å; L29-L53 HydrophobicContact CD2-CD2 4.24Å; L29-V58 HydrophobicContact CD2-CG2 4.18Å; L29-I63 HydrophobicContact CD1-CD1 4.03Å
30	L	98.2	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.3	175.2	-48.6	176.2	0	0	0	109	Y3 S4 I5 I36 V38 I115 V130 V132 I143	Y3-L30 HydrophobicContact CD1-CB 3.88Å; Y3-L30 HydrophobicContact CE1-CB 4.38Å; S4-L30 WeakPolarHBondContact O-CA 3.3Å; I5-L30 HydrophobicContact CB-CD2 4.15Å; I5-L30 HydrophobicContact CD1-CD2 3.99Å; I5-L30 HydrophobicContact CG1-CD2 3.59Å; I5-L30 HydrophobicContact CG2-CD2 4.01Å; L30-I36 HydrophobicContact CB-CB 4.12Å; L30-I36 HydrophobicContact CD1-CB 4.28Å; L30-I36 HydrophobicContact CD1-CG2 4.29Å; L30-I36 HydrophobicContact CG-CB 4.49Å; L30-I36 PolarHBondContact N-O 3.34Å; L30-I36 PolarHBondContact O-N 3.18Å; L30-V38 HydrophobicContact CD1-CG2 4.38Å; L30-I115 HydrophobicContact CD1-CD1 3.99Å; L30-V130 HydrophobicContact CD1-CG1 4.13Å; L30-V132 HydrophobicContact CD1-CG2 3.8Å; L30-V132 HydrophobicContact CD2-CG2 4.06Å; L30-I143 HydrophobicContact CD1-CD1 4.39Å; L30-I143 HydrophobicContact CD2-CD1 3.95Å; L30-I143 HydrophobicContact CG-CD1 4.49Å
31	K	97.3	Very high	97.6	Very high	65 Å²	65	24.2 Å²	24.2	28%	0.283	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.8	-179.9	-58.4	175.8	-170.7	165.5	0	109.4	Y3 S4 D6 L29 L35	Y3-K31 CarbonylContact C-O 3.56Å; Y3-K31 WeakPolarHBondContact CA-O 3.26Å; S4-K31 PolarHBondContact N-O 3.35Å; S4-K31 PolarHBondContact O-N 3.38Å; S4-K31 PolarHBondContact OG-O 3.1Å; D6-K31 IonicContact OD2-NZ 2.79Å; D6-K31 PolarHBondContact OD2-NZ 2.98Å; L29-K31 HydrophobicContact CD2-CD 4.47Å; L29-K31 HydrophobicContact CD2-CG 4.38Å; L29-K31 HydrophobicContact CG-CG 4.16Å; K31-L35 HydrophobicContact CB-CD1 4.44Å; K31-L35 HydrophobicContact CG-CD1 3.85Å
32	G	96	Very high	97.9	Very high	29 Å²	29	19.3 Å²	19.3	30%	0.299	12%	0.117	S	C	.	.	S	Bend	trans	-165.1	-143.5	179.2	0	0	0	0	0	111.3	K34	G32-K34 CarbonylContact C-O 3.53Å; G32-K34 PolarHBondContact N-O 2.92Å; G32-K34 VanDerWaalsContact N-O 3.1Å; G32-K34 PolarHBondContact O-N 2.88Å
33	P	96.1	Very high	98	Very high	71 Å²	71	18.8 Å²	18.8	46%	0.461	11%	0.112	S	C	.	.	S	Bend	trans	-53.2	-29.7	170	-27.6	35.5	0	0	0	114.2	M1 Y3	M1-P33 HydrophobicContact CB-CG 4.3Å; M1-P33 VanDerWaalsContact O-CD 3.26Å; M1-P33 WeakPolarHBondContact O-CD 3.45Å; M1-P33 WeakPolarHBondContact O-CG 2.94Å; Y3-P33 HydrophobicContact CE2-CG 4.27Å
34	K	97.5	Very high	98.1	Very high	78 Å²	78	27.3 Å²	27.3	34%	0.339	14%	0.138	S	C	.	.	S	Bend	trans	-118.2	157	167.9	-58.8	-63.7	-172.9	174.9	0	110.9	Y3 G32 I36 D64 F65 I111	Y3-K34 HydrophobicContact CE1-CB 4.45Å; Y3-K34 VanDerWaalsContact CE1-O 3.25Å; Y3-K34 WeakPolarHBondContact CE1-O 3.35Å; Y3-K34 VanDerWaalsContact OH-CB 3.25Å; Y3-K34 WeakPolarHBondContact OH-CB 3.42Å; Y3-K34 PolarHBondContact OH-N 2.79Å; Y3-K34 VanDerWaalsContact OH-N 3.07Å; G32-K34 CarbonylContact C-O 3.53Å; G32-K34 PolarHBondContact N-O 2.92Å; G32-K34 VanDerWaalsContact N-O 3.1Å; G32-K34 PolarHBondContact O-N 2.88Å; K34-I36 HydrophobicContact CB-CD1 4.09Å; K34-I36 HydrophobicContact CB-CG1 3.87Å; K34-D64 WeakPolarHBondContact CA-OD2 3.41Å; K34-D64 HydrophobicContact CB-CB 4.29Å; K34-D64 HydrophobicContact CD-CB 4.09Å; K34-D64 IonicContact NZ-OD1 3.78Å; K34-D64 PolarHBondContact NZ-OD1 2.87Å; K34-F65 HydrophobicContact CD-CE2 4.48Å; K34-F65 HydrophobicContact CG-CE2 4.44Å; K34-I111 HydrophobicContact CG-CG2 4.21Å
35	L	98.1	Very high	98.1	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.157	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.4	169.6	-167.6	61.8	0	0	0	109.1	L29 K31 V58 D62 I63 D64 F65	L29-L35 HydrophobicContact CD1-CD1 3.82Å; L29-L35 HydrophobicContact CD1-CG 4.26Å; L29-L35 HydrophobicContact CG-CD1 4.37Å; K31-L35 HydrophobicContact CB-CD1 4.44Å; K31-L35 HydrophobicContact CG-CD1 3.85Å; L35-V58 HydrophobicContact CD2-CG1 3.75Å; L35-V58 HydrophobicContact CD2-CG2 4.33Å; L35-D62 HydrophobicContact CD2-CB 4.42Å; L35-I63 HydrophobicContact CD2-CD1 3.72Å; L35-I63 HydrophobicContact CG-CD1 3.7Å; L35-D64 PolarHBondContact N-OD2 3.17Å; L35-D64 PolarHBondContact O-N 3.14Å; L35-F65 PolarHBondContact O-N 2.89Å
36	I	98.7	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.5	-169.7	-51.8	175.3	0	0	0	109.1	Y3 L30 K34 V38 F65 I67 I111 I115	Y3-I36 HydrophobicContact CE1-CD1 4.24Å; L30-I36 HydrophobicContact CB-CB 4.12Å; L30-I36 HydrophobicContact CD1-CB 4.28Å; L30-I36 HydrophobicContact CD1-CG2 4.29Å; L30-I36 HydrophobicContact CG-CB 4.49Å; L30-I36 PolarHBondContact N-O 3.34Å; L30-I36 PolarHBondContact O-N 3.18Å; K34-I36 HydrophobicContact CB-CD1 4.09Å; K34-I36 HydrophobicContact CB-CG1 3.87Å; I36-V38 HydrophobicContact CG2-CG2 4.33Å; I36-F65 WeakPolarHBondContact CA-O 3.47Å; I36-F65 HydrophobicContact CB-CB 4.38Å; I36-F65 HydrophobicContact CG1-CB 4.14Å; I36-F65 HydrophobicContact CG1-CD2 4.27Å; I36-F65 HydrophobicContact CG2-CB 3.95Å; I36-I67 HydrophobicContact CG2-CD1 3.56Å; I36-I67 HydrophobicContact CG2-CG1 4.12Å; I36-I111 HydrophobicContact CD1-CD1 4.13Å; I36-I111 HydrophobicContact CD1-CG2 4.15Å; I36-I115 HydrophobicContact CD1-CB 4.29Å; I36-I115 HydrophobicContact CD1-CG1 4.07Å; I36-I115 HydrophobicContact CD1-CG2 3.87Å
37	L	98.8	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.1	173.5	-173.5	137.2	0	0	0	109.6	I8 I27 S28 L29 P40 L49 L53 I63 F65 V66 I67 F82	I8-L37 HydrophobicContact CD1-CD1 4.22Å; I27-L37 HydrophobicContact CG2-CD1 4.41Å; I27-L37 HydrophobicContact CG2-CG 4.43Å; S28-L37 WeakPolarHBondContact O-CA 3.42Å; L29-L37 HydrophobicContact CD1-CB 4.46Å; L37-P40 HydrophobicContact CD2-CB 3.63Å; L37-P40 HydrophobicContact CD2-CG 4.43Å; L37-L49 HydrophobicContact CD1-CD1 4.42Å; L37-L53 HydrophobicContact CD1-CD2 4.06Å; L37-I63 HydrophobicContact CB-CG2 4.25Å; L37-F65 PolarHBondContact N-O 3.12Å; L37-V66 HydrophobicContact CD2-CG1 4.07Å; L37-V66 CarbonylContact O-C 3.48Å; L37-V66 WeakPolarHBondContact O-CA 3.49Å; L37-I67 PolarHBondContact O-N 2.93Å; L37-F82 HydrophobicContact CD1-CE1 4.06Å; L37-F82 HydrophobicContact CD1-CZ 3.79Å; L37-F82 HydrophobicContact CD2-CE2 4.1Å; L37-F82 HydrophobicContact CD2-CZ 3.83Å; L37-F82 HydrophobicContact CG-CZ 4.36Å
38	V	98.9	Very high	98	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.8	178.7	-169.8	0	0	0	0	109.3	S28 L30 I36 I67 T69 V130 I143	S28-V38 PolarHBondContact N-O 2.91Å; S28-V38 VanDerWaalsContact N-O 3.14Å; S28-V38 PolarHBondContact O-N 3.38Å; L30-V38 HydrophobicContact CD1-CG2 4.38Å; I36-V38 HydrophobicContact CG2-CG2 4.33Å; V38-I67 CarbonylContact C-O 3.57Å; V38-I67 VanDerWaalsContact CA-O 3.24Å; V38-I67 WeakPolarHBondContact CA-O 3.25Å; V38-T69 HydrophobicContact CG1-CG2 4.06Å; V38-V130 HydrophobicContact CG1-CG2 4.08Å; V38-V130 HydrophobicContact CG2-CB 4.42Å; V38-V130 HydrophobicContact CG2-CG1 4.47Å; V38-V130 HydrophobicContact CG2-CG2 4.02Å; V38-I143 HydrophobicContact CB-CG2 4.34Å; V38-I143 HydrophobicContact CG1-CG2 3.76Å; V38-I143 HydrophobicContact CG2-CD1 4.17Å
39	D	98.8	Very high	98	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.199	C	C	.	.			trans	54.1	86.8	-178.7	-66.1	-18.3	0	0	0	113.7	C25 I27 G41 I67 C68 T69 H75	C25-D39 HydrophobicContact CB-CB 4.48Å; I27-D39 VanDerWaalsContact CG1-O 3.29Å; I27-D39 WeakPolarHBondContact CG1-O 3.33Å; D39-G41 PolarHBondContact O-N 2.84Å; D39-I67 PolarHBondContact N-O 3.07Å; D39-C68 VanDerWaalsContact OD1-CA 3.22Å; D39-C68 WeakPolarHBondContact OD1-CA 3.34Å; D39-T69 PolarHBondContact OD1-N 2.97Å; D39-T69 PolarHBondContact OD1-OG1 3.11Å; D39-T69 VanDerWaalsContact OD1-OG1 3.1Å; D39-T69 WeakPolarHBondContact OD2-CG2 3.35Å; D39-T69 PolarHBondContact OD2-OG1 2.87Å; D39-H75 CarbonylContact C-O 3.08Å; D39-H75 HydrophobicContact CB-CB 4.32Å; D39-H75 IonicContact OD1-ND1 3.19Å; D39-H75 IonicContact OD2-CE1 3.31Å; D39-H75 IonicContact OD2-CG 3.22Å; D39-H75 IonicContact OD2-ND1 3.63Å; D39-H75 PolarHBondContact OD2-ND1 3.42Å
40	P	98.6	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.			trans	-68	10.2	-177.1	29.8	-40.6	0	0	0	116.8	L37 L49 V66 C68 H75 S78 L79 F82	L37-P40 HydrophobicContact CD2-CB 3.63Å; L37-P40 HydrophobicContact CD2-CG 4.43Å; P40-L49 HydrophobicContact CB-CD2 4.1Å; P40-L49 VanDerWaalsContact O-CD2 3.27Å; P40-L49 WeakPolarHBondContact O-CD2 3.29Å; P40-V66 HydrophobicContact CB-CG1 4.39Å; P40-V66 HydrophobicContact CG-CG1 3.95Å; P40-C68 VanDerWaalsContact CD-SG 3.56Å; P40-H75 WeakPolarHBondContact CD-O 3.48Å; P40-H75 WeakPolarHBondContact CG-O 3.41Å; P40-S78 VanDerWaalsContact O-CB 3.24Å; P40-S78 WeakPolarHBondContact O-CB 3.43Å; P40-S78 PolarHBondContact O-OG 2.89Å; P40-L79 HydrophobicContact CG-CD2 4.31Å; P40-L79 HydrophobicContact CG-CG 4.1Å; P40-F82 HydrophobicContact CB-CE2 3.67Å; P40-F82 HydrophobicContact CB-CZ 4.35Å
41	G	98.6	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	80.2	-173.1	177.8	0	0	0	0	0	113.8	C25 D39 D74 G77 S78	C25-G41 VanDerWaalsContact SG-CA 3.55Å; D39-G41 PolarHBondContact O-N 2.84Å; G41-D74 CarbonylContact C-O 3.54Å; G41-D74 WeakPolarHBondContact CA-O 3.25Å; G41-G77 WeakPolarHBondContact O-CA 3.43Å; G41-G77 PolarHBondContact O-N 2.8Å; G41-S78 PolarHBondContact O-N 3.05Å
42	S	98.1	Very high	98.1	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.154	23%	0.234	C	C	.	.			trans	-74.3	168.2	179.7	75.9	0	0	0	0	111.7	W44 D45 V73 D74 S78	S42-W44 PolarHBondContact O-N 2.88Å; S42-W44 VanDerWaalsContact O-N 3.15Å; S42-W44 PolarHBondContact OG-N 3.35Å; S42-D45 WeakPolarHBondContact CB-OD2 3.46Å; S42-D45 PolarHBondContact N-OD2 3.36Å; S42-D45 WeakPolarHBondContact O-CB 3.36Å; S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact OG-OD2 3.14Å; S42-V73 WeakPolarHBondContact CA-O 3.17Å; S42-D74 PolarHBondContact N-O 3.12Å; S42-S78 PolarHBondContact O-OG 3.17Å
43	P	97.6	Very high	98.2	Very high	41 Å²	41	44.9 Å²	44.9	27%	0.266	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.3	-17.7	179	0.2	11.3	0	0	0	111.9	D45 S46 V73	P43-D45 PolarHBondContact O-N 2.8Å; P43-S46 PolarHBondContact O-OG 3.15Å; P43-V73 HydrophobicContact CG-CG2 4.07Å
44	W	96.8	Very high	98.3	Very high	222 Å²	222	45.8 Å²	45.8	84%	0.841	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-79.6	-13.3	178.2	-53.8	176.1	0	0	0	111.7	S42	S42-W44 PolarHBondContact O-N 2.88Å; S42-W44 VanDerWaalsContact O-N 3.15Å; S42-W44 PolarHBondContact OG-N 3.35Å
45	D	98.1	Very high	98.4	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.123	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-82.1	-14.7	179.3	-65	-52.7	0	0	0	112.9	R9 S42 P43 Q47 W48 L49	R9-D45 IonicContact CZ-OD2 2.79Å; R9-D45 IonicContact NH1-OD1 3.18Å; R9-D45 PolarHBondContact NH1-OD1 3.09Å; R9-D45 IonicContact NH1-OD2 3.3Å; R9-D45 PolarHBondContact NH1-OD2 2.78Å; R9-D45 IonicContact NH2-OD2 2.77Å; R9-D45 PolarHBondContact NH2-OD2 2.54Å; S42-D45 WeakPolarHBondContact CB-OD2 3.46Å; S42-D45 PolarHBondContact N-OD2 3.36Å; S42-D45 WeakPolarHBondContact O-CB 3.36Å; S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact OG-OD2 3.14Å; P43-D45 PolarHBondContact O-N 2.8Å; D45-Q47 PolarHBondContact O-N 2.9Å; D45-W48 HydrophobicContact CB-CE3 4.43Å; D45-W48 CarbonylContact O-C 3.55Å; D45-W48 WeakPolarHBondContact O-CA 3.45Å; D45-W48 WeakPolarHBondContact O-CB 3.41Å; D45-W48 PolarHBondContact O-N 3.17Å; D45-L49 WeakPolarHBondContact O-CB 3.3Å; D45-L49 PolarHBondContact O-N 3.45Å
46	S	98.1	Very high	98.3	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-48.3	-53.4	-169.7	-54.3	0	0	0	0	113.7	P43 L49 L50 S78 H80	P43-S46 PolarHBondContact O-OG 3.15Å; S46-L49 PolarHBondContact O-N 3.38Å; S46-L50 VanDerWaalsContact O-CG 3.26Å; S46-L50 WeakPolarHBondContact O-CG 3.43Å; S46-L50 PolarHBondContact O-N 3.5Å; S46-S78 WeakPolarHBondContact CA-OG 3.26Å; S46-S78 PolarHBondContact N-OG 3.03Å; S46-S78 VanDerWaalsContact N-OG 3.12Å; S46-S78 PolarHBondContact OG-OG 3.5Å; S46-S78 VanDerWaalsContact OG-OG 3.09Å; S46-H80 PolarHBondContact OG-CE1 2.91Å
47	Q	98.2	Very high	98.3	Very high	167 Å²	167	51.5 Å²	51.5	78%	0.78	28%	0.28	S	S	*	.	H	α-helix	trans	-69.1	-38.1	-179.3	-171.2	176.5	18.1	0	0	112.1	D45 S51	D45-Q47 PolarHBondContact O-N 2.9Å; Q47-S51 PolarHBondContact O-N 3.44Å; Q47-S51 VanDerWaalsContact O-N 3.17Å
48	W	98.5	Very high	98.3	Very high	91 Å²	91	52.4 Å²	52.4	35%	0.345	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-45.3	177	173.4	84	0	0	0	111	I8 R9 I27 D45 L50 S51 Q52	I8-W48 HydrophobicContact CG2-CH2 3.83Å; I8-W48 HydrophobicContact CG2-CZ3 4.12Å; R9-W48 HydrophobicContact CB-CH2 3.86Å; R9-W48 HydrophobicContact CB-CZ3 4.38Å; R9-W48 HydrophobicContact CG-CH2 4.16Å; I27-W48 HydrophobicContact CD1-CZ3 4.01Å; D45-W48 HydrophobicContact CB-CE3 4.43Å; D45-W48 CarbonylContact O-C 3.55Å; D45-W48 WeakPolarHBondContact O-CA 3.45Å; D45-W48 WeakPolarHBondContact O-CB 3.41Å; D45-W48 PolarHBondContact O-N 3.17Å; W48-L50 PolarHBondContact O-N 3.09Å; W48-S51 WeakPolarHBondContact O-CA 3.35Å; W48-S51 WeakPolarHBondContact O-CB 3.49Å; W48-S51 PolarHBondContact O-N 2.75Å; W48-S51 PolarHBondContact O-OG 3.38Å; W48-Q52 HydrophobicContact CD2-CG 3.9Å; W48-Q52 HydrophobicContact CE3-CG 4.19Å; W48-Q52 HydrophobicContact CH2-CG 3.76Å; W48-Q52 HydrophobicContact CZ2-CG 3.47Å; W48-Q52 VanDerWaalsContact CZ2-CG 3.47Å; W48-Q52 HydrophobicContact CZ3-CG 4.12Å; W48-Q52 WeakPolarHBondContact O-CG 3.47Å; W48-Q52 PolarHBondContact O-N 3.02Å
49	L	98.7	Very high	98.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.5	-177.4	53.9	0	0	0	111.3	I8 I27 L37 P40 D45 S46 S51 Q52 L53 I81 F82	I8-L49 HydrophobicContact CD1-CD1 4.04Å; I8-L49 HydrophobicContact CG2-CD1 3.97Å; I27-L49 HydrophobicContact CD1-CD1 4.28Å; I27-L49 HydrophobicContact CD1-CD2 4.41Å; I27-L49 HydrophobicContact CG2-CD1 4.19Å; L37-L49 HydrophobicContact CD1-CD1 4.42Å; P40-L49 HydrophobicContact CB-CD2 4.1Å; P40-L49 VanDerWaalsContact O-CD2 3.27Å; P40-L49 WeakPolarHBondContact O-CD2 3.29Å; D45-L49 WeakPolarHBondContact O-CB 3.3Å; D45-L49 PolarHBondContact O-N 3.45Å; S46-L49 PolarHBondContact O-N 3.38Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.97Å; L49-Q52 PolarHBondContact O-N 2.89Å; L49-Q52 VanDerWaalsContact O-N 3.12Å; L49-L53 HydrophobicContact CD1-CD1 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.24Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 2.98Å; L49-I81 HydrophobicContact CB-CD1 4.29Å; L49-I81 HydrophobicContact CD2-CD1 3.88Å; L49-I81 HydrophobicContact CG-CD1 4.05Å; L49-F82 HydrophobicContact CD2-CE2 4.38Å; L49-F82 HydrophobicContact CD2-CZ 3.92Å
50	L	98.6	Very high	98.2	Very high	72 Å²	72	57.1 Å²	57.1	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-55.5	-43.4	171.1	-73.2	173.9	0	0	0	111.9	S46 W48 L53 S54 P60 I81	S46-L50 VanDerWaalsContact O-CG 3.26Å; S46-L50 WeakPolarHBondContact O-CG 3.43Å; S46-L50 PolarHBondContact O-N 3.5Å; W48-L50 PolarHBondContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3Å; L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.34Å; L50-P60 HydrophobicContact CD2-CB 4.32Å; L50-P60 HydrophobicContact CD2-CG 3.29Å; L50-I81 HydrophobicContact CD2-CB 4.29Å; L50-I81 HydrophobicContact CD2-CD1 4.1Å; L50-I81 HydrophobicContact CD2-CG1 4.48Å; L50-I81 HydrophobicContact CG-CD1 4.16Å
51	S	98.6	Very high	98.2	Very high	59 Å²	59	59.5 Å²	59.5	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-38.5	176.8	81.9	0	0	0	0	112.4	Q47 W48 L49 S54 S55	Q47-S51 PolarHBondContact O-N 3.44Å; Q47-S51 VanDerWaalsContact O-N 3.17Å; W48-S51 WeakPolarHBondContact O-CA 3.35Å; W48-S51 WeakPolarHBondContact O-CB 3.49Å; W48-S51 PolarHBondContact O-N 2.75Å; W48-S51 PolarHBondContact O-OG 3.38Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.97Å; S51-S54 PolarHBondContact O-N 3.11Å; S51-S55 PolarHBondContact O-N 2.92Å
52	Q	98.7	Very high	98.1	Very high	47 Å²	47	64.4 Å²	64.4	22%	0.22	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-40.7	178	-70	-53.3	-55.6	0	0	112.3	I8 W48 L49 S55 R56	I8-Q52 HydrophobicContact CG2-CB 3.7Å; I8-Q52 HydrophobicContact CG2-CG 3.95Å; W48-Q52 HydrophobicContact CD2-CG 3.9Å; W48-Q52 HydrophobicContact CE3-CG 4.19Å; W48-Q52 HydrophobicContact CH2-CG 3.76Å; W48-Q52 HydrophobicContact CZ2-CG 3.47Å; W48-Q52 VanDerWaalsContact CZ2-CG 3.47Å; W48-Q52 HydrophobicContact CZ3-CG 4.12Å; W48-Q52 WeakPolarHBondContact O-CG 3.47Å; W48-Q52 PolarHBondContact O-N 3.02Å; L49-Q52 PolarHBondContact O-N 2.89Å; L49-Q52 VanDerWaalsContact O-N 3.12Å; Q52-S55 PolarHBondContact O-OG 2.98Å; Q52-R56 WeakPolarHBondContact O-CD 3.5Å; Q52-R56 WeakPolarHBondContact O-CG 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å; Q52-R56 PolarHBondContact O-NH1 3.32Å; Q52-R56 VanDerWaalsContact O-NH1 3.09Å
53	L	98.6	Very high	98.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.3	-45.9	175	-67.7	171.1	0	0	0	111.2	I8 L29 L37 L49 L50 S55 R56 G57 V58 P60 F82	I8-L53 HydrophobicContact CD1-CD2 3.74Å; L29-L53 HydrophobicContact CD2-CD2 4.24Å; L37-L53 HydrophobicContact CD1-CD2 4.06Å; L49-L53 HydrophobicContact CD1-CD1 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.24Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 2.91Å; L53-R56 CarbonylContact O-C 3.02Å; L53-R56 WeakPolarHBondContact O-CA 3.43Å; L53-R56 WeakPolarHBondContact O-CB 3.44Å; L53-R56 PolarHBondContact O-N 3.27Å; L53-G57 PolarHBondContact O-N 3.15Å; L53-V58 CarbonylContact C-O 3.33Å; L53-V58 HydrophobicContact CB-CB 4.27Å; L53-V58 HydrophobicContact CB-CG1 4.38Å; L53-V58 HydrophobicContact CD2-CB 4.28Å; L53-V58 HydrophobicContact CD2-CG1 3.94Å; L53-V58 PolarHBondContact O-N 2.96Å; L53-P60 HydrophobicContact CD1-CG 4.2Å; L53-F82 HydrophobicContact CD1-CE1 3.75Å; L53-F82 HydrophobicContact CD1-CZ 4.21Å
54	S	98.3	Very high	98.1	Very high	89 Å²	89	63.8 Å²	63.8	62%	0.622	35%	0.347	S	S	*	.	H	α-helix	trans	-58.5	-43.4	177.1	-177.4	0	0	0	0	112.3	L50 S51 R56 G57	L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.34Å; S51-S54 PolarHBondContact O-N 3.11Å; S54-R56 PolarHBondContact O-N 2.79Å; S54-R56 VanDerWaalsContact O-N 3.11Å; S54-G57 PolarHBondContact O-N 3.4Å
55	S	98.3	Very high	98.2	Very high	86 Å²	86	54.2 Å²	54.2	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-19.8	175.9	74.9	0	0	0	0	114.1	S51 Q52 L53	S51-S55 PolarHBondContact O-N 2.92Å; Q52-S55 PolarHBondContact O-OG 2.98Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 2.91Å
56	R	97.9	Very high	98.2	Very high	71 Å²	71	53.1 Å²	53.1	27%	0.268	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.2	176.6	-68.3	166.9	169.5	80	-3.2	112.8	D6 Q52 L53 S54 V58	D6-R56 VanDerWaalsContact CG-NE 3.29Å; D6-R56 IonicContact OD1-CZ 3.47Å; D6-R56 IonicContact OD1-NE 3.46Å; D6-R56 PolarHBondContact OD1-NE 2.84Å; D6-R56 VanDerWaalsContact OD1-NE 3.14Å; D6-R56 IonicContact OD1-NH2 3.57Å; D6-R56 PolarHBondContact OD1-NH2 2.96Å; D6-R56 VanDerWaalsContact OD1-NH2 3.15Å; D6-R56 WeakPolarHBondContact OD2-CD 3.19Å; D6-R56 IonicContact OD2-CZ 3.85Å; D6-R56 IonicContact OD2-NE 3.37Å; D6-R56 PolarHBondContact OD2-NE 3.42Å; Q52-R56 WeakPolarHBondContact O-CD 3.5Å; Q52-R56 WeakPolarHBondContact O-CG 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å; Q52-R56 PolarHBondContact O-NH1 3.32Å; Q52-R56 VanDerWaalsContact O-NH1 3.09Å; L53-R56 CarbonylContact O-C 3.02Å; L53-R56 WeakPolarHBondContact O-CA 3.43Å; L53-R56 WeakPolarHBondContact O-CB 3.44Å; L53-R56 PolarHBondContact O-N 3.27Å; S54-R56 PolarHBondContact O-N 2.79Å; S54-R56 VanDerWaalsContact O-N 3.11Å; R56-V58 VanDerWaalsContact C-N 3.26Å; R56-V58 HydrophobicContact CB-CG2 4.39Å; R56-V58 PolarHBondContact O-N 2.83Å
57	G	98	Very high	98.3	Very high	72 Å²	72	52.3 Å²	52.3	74%	0.742	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.9	-176.6	0	0	0	0	0	113.9	L53 S54	L53-G57 PolarHBondContact O-N 3.15Å; S54-G57 PolarHBondContact O-N 3.4Å
58	V	98.4	Very high	98.3	Very high	18 Å²	18	44.4 Å²	44.4	11%	0.109	26%	0.263	C	S	.	.			trans	-103.1	124.2	-178.6	172.1	0	0	0	0	110.2	L29 L35 L53 R56 I63	L29-V58 HydrophobicContact CD2-CG2 4.18Å; L35-V58 HydrophobicContact CD2-CG1 3.75Å; L35-V58 HydrophobicContact CD2-CG2 4.33Å; L53-V58 CarbonylContact C-O 3.33Å; L53-V58 HydrophobicContact CB-CB 4.27Å; L53-V58 HydrophobicContact CB-CG1 4.38Å; L53-V58 HydrophobicContact CD2-CB 4.28Å; L53-V58 HydrophobicContact CD2-CG1 3.94Å; L53-V58 PolarHBondContact O-N 2.96Å; R56-V58 VanDerWaalsContact C-N 3.26Å; R56-V58 HydrophobicContact CB-CG2 4.39Å; R56-V58 PolarHBondContact O-N 2.83Å; V58-I63 HydrophobicContact CG1-CD1 3.77Å
59	N	98.2	Very high	98.3	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	25%	0.247	S	C	.	.			trans	-87.4	132.3	168.5	-170.7	-32.1	0	0	0	109.4	C61 D62	N59-C61 PolarHBondContact O-N 2.78Å; N59-C61 VanDerWaalsContact O-N 3.11Å; N59-C61 WeakPolarHBondContact OD1-CB 3.21Å; N59-C61 PolarHBondContact OD1-N 2.86Å; N59-D62 VanDerWaalsContact CB-OD2 3.3Å; N59-D62 WeakPolarHBondContact CB-OD2 3.39Å; N59-D62 WeakPolarHBondContact O-CB 3.22Å; N59-D62 PolarHBondContact O-N 2.85Å
60	P	98.1	Very high	98.3	Very high	20 Å²	20	40.2 Å²	40.2	13%	0.13	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.9	-27.6	175.3	-24.7	31	0	0	0	114.6	L50 L53 D62 I63 I81 F82	L50-P60 HydrophobicContact CD2-CB 4.32Å; L50-P60 HydrophobicContact CD2-CG 3.29Å; L53-P60 HydrophobicContact CD1-CG 4.2Å; P60-D62 PolarHBondContact O-N 3.12Å; P60-I63 PolarHBondContact O-N 3.26Å; P60-I81 VanDerWaalsContact CB-O 3.22Å; P60-I81 WeakPolarHBondContact CB-O 3.46Å; P60-F82 HydrophobicContact CB-CD1 3.98Å; P60-F82 HydrophobicContact CB-CE1 4.31Å
61	C	97.3	Very high	98.2	Very high	51 Å²	51	41 Å²	41	35%	0.345	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-70.6	-15.1	176	-69.4	0	0	0	0	114	N59 N84	N59-C61 PolarHBondContact O-N 2.78Å; N59-C61 VanDerWaalsContact O-N 3.11Å; N59-C61 WeakPolarHBondContact OD1-CB 3.21Å; N59-C61 PolarHBondContact OD1-N 2.86Å; C61-N84 WeakPolarHBondContact O-CB 3.33Å; C61-N84 PolarHBondContact O-ND2 2.81Å
62	D	97.4	Very high	98.2	Very high	102 Å²	102	41.6 Å²	41.6	55%	0.545	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-96	-4.3	-179.6	-58.5	-22.6	0	0	0	112.2	L35 N59 P60 D64	L35-D62 HydrophobicContact CD2-CB 4.42Å; N59-D62 VanDerWaalsContact CB-OD2 3.3Å; N59-D62 WeakPolarHBondContact CB-OD2 3.39Å; N59-D62 WeakPolarHBondContact O-CB 3.22Å; N59-D62 PolarHBondContact O-N 2.85Å; P60-D62 PolarHBondContact O-N 3.12Å; D62-D64 PolarHBondContact O-N 2.84Å
63	I	98.4	Very high	98.1	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	27%	0.265	C	S	.	.			trans	-69.8	116.5	174.7	-59.3	-63.2	0	0	0	109.1	L29 L35 L37 V58 P60 F65 V66 F82 S85	L29-I63 HydrophobicContact CD1-CD1 4.03Å; L35-I63 HydrophobicContact CD2-CD1 3.72Å; L35-I63 HydrophobicContact CG-CD1 3.7Å; L37-I63 HydrophobicContact CB-CG2 4.25Å; V58-I63 HydrophobicContact CG1-CD1 3.77Å; P60-I63 PolarHBondContact O-N 3.26Å; I63-F65 WeakPolarHBondContact CG2-O 3.27Å; I63-V66 HydrophobicContact CG2-CG2 3.7Å; I63-F82 HydrophobicContact CB-CD1 4.11Å; I63-F82 HydrophobicContact CG1-CD1 3.71Å; I63-F82 HydrophobicContact CG1-CE1 3.9Å; I63-F82 HydrophobicContact CG2-CD1 4.42Å; I63-S85 WeakPolarHBondContact O-CA 3.44Å; I63-S85 WeakPolarHBondContact O-CB 3.28Å
64	D	98	Very high	98.1	Very high	48 Å²	48	45 Å²	45	26%	0.257	27%	0.271	S	S	.	.	S	Bend	trans	-69.5	-44.2	177	-69	-84.6	0	0	0	111.4	K34 L35 D62 T86	K34-D64 WeakPolarHBondContact CA-OD2 3.41Å; K34-D64 HydrophobicContact CB-CB 4.29Å; K34-D64 HydrophobicContact CD-CB 4.09Å; K34-D64 IonicContact NZ-OD1 3.78Å; K34-D64 PolarHBondContact NZ-OD1 2.87Å; L35-D64 PolarHBondContact N-OD2 3.17Å; L35-D64 PolarHBondContact O-N 3.14Å; D62-D64 PolarHBondContact O-N 2.84Å; D64-T86 PolarHBondContact O-N 3.14Å
65	F	98.5	Very high	98.1	Very high	21 Å²	21	40.7 Å²	40.7	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.8	-176.7	-69.4	-95.9	0	0	0	111.8	K34 L35 I36 L37 I63 I67 T86 I88 I111	K34-F65 HydrophobicContact CD-CE2 4.48Å; K34-F65 HydrophobicContact CG-CE2 4.44Å; L35-F65 PolarHBondContact O-N 2.89Å; I36-F65 WeakPolarHBondContact CA-O 3.47Å; I36-F65 HydrophobicContact CB-CB 4.38Å; I36-F65 HydrophobicContact CG1-CB 4.14Å; I36-F65 HydrophobicContact CG1-CD2 4.27Å; I36-F65 HydrophobicContact CG2-CB 3.95Å; L37-F65 PolarHBondContact N-O 3.12Å; I63-F65 WeakPolarHBondContact CG2-O 3.27Å; F65-I67 HydrophobicContact CB-CD1 4.46Å; F65-I67 HydrophobicContact CB-CG1 4.23Å; F65-T86 VanDerWaalsContact CA-O 3.31Å; F65-T86 WeakPolarHBondContact CA-O 3.36Å; F65-T86 HydrophobicContact CD1-CG2 3.69Å; F65-T86 HydrophobicContact CE1-CG2 3.54Å; F65-I88 HydrophobicContact CD1-CD1 4.46Å; F65-I111 HydrophobicContact CD1-CD1 4.05Å; F65-I111 HydrophobicContact CD2-CD1 4.42Å; F65-I111 HydrophobicContact CD2-CG2 4.2Å; F65-I111 HydrophobicContact CE1-CD1 4.19Å; F65-I111 HydrophobicContact CE1-CG1 4.22Å; F65-I111 HydrophobicContact CE2-CG2 3.71Å; F65-I111 HydrophobicContact CG-CD1 4.18Å; F65-I111 HydrophobicContact CZ-CD1 4.46Å; F65-I111 HydrophobicContact CZ-CG1 4.24Å; F65-I111 HydrophobicContact CZ-CG2 4.02Å
66	V	98.5	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.4	162.3	-176.1	0	0	0	0	107.8	L37 P40 I63 L79 F82 S85 T86 R87 I88	L37-V66 HydrophobicContact CD2-CG1 4.07Å; L37-V66 CarbonylContact O-C 3.48Å; L37-V66 WeakPolarHBondContact O-CA 3.49Å; P40-V66 HydrophobicContact CB-CG1 4.39Å; P40-V66 HydrophobicContact CG-CG1 3.95Å; I63-V66 HydrophobicContact CG2-CG2 3.7Å; V66-L79 HydrophobicContact CB-CD2 4.24Å; V66-L79 HydrophobicContact CG1-CD2 3.62Å; V66-F82 HydrophobicContact CB-CD2 4.46Å; V66-F82 HydrophobicContact CG1-CD2 4.18Å; V66-F82 HydrophobicContact CG1-CE2 4.38Å; V66-F82 HydrophobicContact CG2-CB 3.56Å; V66-F82 HydrophobicContact CG2-CD1 3.98Å; V66-F82 HydrophobicContact CG2-CD2 3.55Å; V66-F82 HydrophobicContact CG2-CE2 4.19Å; V66-F82 HydrophobicContact CG2-CG 3.42Å; V66-F82 VanDerWaalsContact CG2-CG 3.42Å; V66-S85 WeakPolarHBondContact CG2-OG 3.49Å; V66-T86 PolarHBondContact N-O 2.87Å; V66-R87 WeakPolarHBondContact O-CA 3.48Å; V66-I88 PolarHBondContact O-N 2.77Å
67	I	98.7	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115	-175	-54.6	170.7	0	0	0	107.9	I36 L37 V38 D39 F65 I88 I111 I117 I128 V130	I36-I67 HydrophobicContact CG2-CD1 3.56Å; I36-I67 HydrophobicContact CG2-CG1 4.12Å; L37-I67 PolarHBondContact O-N 2.93Å; V38-I67 CarbonylContact C-O 3.57Å; V38-I67 VanDerWaalsContact CA-O 3.24Å; V38-I67 WeakPolarHBondContact CA-O 3.25Å; D39-I67 PolarHBondContact N-O 3.07Å; F65-I67 HydrophobicContact CB-CD1 4.46Å; F65-I67 HydrophobicContact CB-CG1 4.23Å; I67-I88 CarbonylContact C-O 3.52Å; I67-I88 WeakPolarHBondContact CA-O 3.24Å; I67-I88 HydrophobicContact CG1-CB 4.38Å; I67-I88 HydrophobicContact CG1-CD1 4.44Å; I67-I88 HydrophobicContact CG2-CB 4.22Å; I67-I88 HydrophobicContact CG2-CG2 4.27Å; I67-I111 HydrophobicContact CD1-CD1 3.74Å; I67-I117 HydrophobicContact CD1-CD1 3.93Å; I67-I117 HydrophobicContact CD1-CG1 4.4Å; I67-I117 HydrophobicContact CG1-CD1 4.44Å; I67-I117 HydrophobicContact CG2-CD1 4.31Å; I67-I128 HydrophobicContact CG2-CD1 3.48Å; I67-I128 VanDerWaalsContact CG2-CD1 3.48Å; I67-V130 HydrophobicContact CB-CG2 4.2Å; I67-V130 HydrophobicContact CD1-CG2 3.92Å; I67-V130 HydrophobicContact CG2-CG2 3.63Å
68	C	98.7	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.8	168.5	-54.2	0	0	0	0	108.9	D39 P40 H70 I76 I88 V89 G90	D39-C68 VanDerWaalsContact OD1-CA 3.22Å; D39-C68 WeakPolarHBondContact OD1-CA 3.34Å; P40-C68 VanDerWaalsContact CD-SG 3.56Å; C68-H70 PolarHBondContact O-N 2.98Å; C68-I76 HydrophobicContact CB-CG2 3.7Å; C68-I88 PolarHBondContact N-O 2.92Å; C68-V89 HydrophobicContact CB-CB 4.35Å; C68-V89 HydrophobicContact CB-CG1 4.13Å; C68-V89 HydrophobicContact CB-CG2 4.15Å; C68-G90 PolarHBondContact O-N 2.88Å
69	T	98.8	Very high	97.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-58.9	-35	179.6	53.6	0	0	0	0	111.7	V38 D39 D127 I128 G145	V38-T69 HydrophobicContact CG1-CG2 4.06Å; D39-T69 PolarHBondContact OD1-N 2.97Å; D39-T69 PolarHBondContact OD1-OG1 3.11Å; D39-T69 VanDerWaalsContact OD1-OG1 3.1Å; D39-T69 WeakPolarHBondContact OD2-CG2 3.35Å; D39-T69 PolarHBondContact OD2-OG1 2.87Å; T69-D127 WeakPolarHBondContact O-CA 3.46Å; T69-I128 WeakPolarHBondContact CB-O 3.27Å; T69-I128 PolarHBondContact O-N 3.12Å; T69-G145 WeakPolarHBondContact OG1-CA 3.41Å
70	H	98.1	Very high	97.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-158.3	-176.7	175.6	65.9	-67.8	0	0	0	110.8	C68 H72 H75 I76 H123 T124 D127 D146	C68-H70 PolarHBondContact O-N 2.98Å; H70-H72 AromaticContact CD2-CD2 3.9Å; H70-H72 AromaticContact CD2-CE1 3.89Å; H70-H72 AromaticContact CD2-CG 3.33Å; H70-H72 AromaticContact CD2-ND1 3.34Å; H70-H72 PolarHBondContact CD2-ND1 3.28Å; H70-H72 VanDerWaalsContact CD2-ND1 3.34Å; H70-H72 VanDerWaalsContact NE2-CB 3.34Å; H70-H72 WeakPolarHBondContact NE2-CB 3.31Å; H70-H72 AromaticContact NE2-CE1 3.87Å; H70-H72 AromaticContact NE2-CG 3.26Å; H70-H72 VanDerWaalsContact NE2-CG 3.26Å; H70-H72 AromaticContact NE2-ND1 2.99Å; H70-H72 PolarHBondContact NE2-ND1 3.43Å; H70-H75 AromaticContact CE1-CD2 3.45Å; H70-H75 PolarHBondContact CE1-CD2 2.93Å; H70-H75 VanDerWaalsContact CE1-CD2 3.45Å; H70-H75 AromaticContact CE1-CE1 3.5Å; H70-H75 AromaticContact CE1-CG 3.47Å; H70-H75 VanDerWaalsContact CE1-CG 3.47Å; H70-H75 AromaticContact CE1-ND1 3.49Å; H70-H75 PolarHBondContact CE1-ND1 2.62Å; H70-H75 AromaticContact CE1-NE2 3.54Å; H70-H75 AromaticContact ND1-CG 3.98Å; H70-H75 AromaticContact ND1-ND1 3.89Å; H70-H75 AromaticContact NE2-CD2 3.86Å; H70-I76 WeakPolarHBondContact O-CG2 3.4Å; H70-H123 AromaticContact CD2-CD2 3.6Å; H70-H123 AromaticContact CD2-NE2 3.73Å; H70-H123 AromaticContact CE1-NE2 3.97Å; H70-H123 AromaticContact NE2-CD2 3.5Å; H70-H123 AromaticContact NE2-NE2 3.24Å; H70-H123 PolarHBondContact NE2-NE2 3.42Å; H70-T124 HydrophobicContact CB-CG2 3.97Å; H70-D127 WeakPolarHBondContact CB-OD1 3.08Å; H70-D127 IonicContact CG-OD1 3.14Å; H70-D146 VanDerWaalsContact CE1-CG 3.49Å; H70-D146 IonicContact CE1-OD1 3.78Å; H70-D146 IonicContact CE1-OD2 3.96Å; H70-D146 PolarHBondContact CE1-OD2 2.82Å; H70-D146 VanDerWaalsContact CE1-OD2 3.31Å; H70-D146 IonicContact NE2-OD2 2.86Å; H70-D146 PolarHBondContact NE2-OD2 2.89Å
71	D	97.1	Very high	97.7	Very high	90 Å²	90	35.4 Å²	35.4	48%	0.481	19%	0.191	S	C	.	.			trans	-98.7	17.8	-167.9	67.6	-30.7	0	0	0	115.2	V89	D71-V89 HydrophobicContact CB-CG1 4.26Å
72	H	97.6	Very high	97.7	Very high	71 Å²	71	33 Å²	33	33%	0.329	18%	0.175	S	C	.	.			trans	-73	147.1	173.7	-70.5	169.2	0	0	0	112.9	H70 D74 H75 I76 H123	H70-H72 AromaticContact CD2-CD2 3.9Å; H70-H72 AromaticContact CD2-CE1 3.89Å; H70-H72 AromaticContact CD2-CG 3.33Å; H70-H72 AromaticContact CD2-ND1 3.34Å; H70-H72 PolarHBondContact CD2-ND1 3.28Å; H70-H72 VanDerWaalsContact CD2-ND1 3.34Å; H70-H72 VanDerWaalsContact NE2-CB 3.34Å; H70-H72 WeakPolarHBondContact NE2-CB 3.31Å; H70-H72 AromaticContact NE2-CE1 3.87Å; H70-H72 AromaticContact NE2-CG 3.26Å; H70-H72 VanDerWaalsContact NE2-CG 3.26Å; H70-H72 AromaticContact NE2-ND1 2.99Å; H70-H72 PolarHBondContact NE2-ND1 3.43Å; H72-D74 PolarHBondContact O-N 2.73Å; H72-D74 VanDerWaalsContact O-N 3.17Å; H72-H75 PolarHBondContact O-N 3.19Å; H72-I76 PolarHBondContact O-N 3.35Å; H72-I76 VanDerWaalsContact O-N 3.08Å; H72-H123 AromaticContact CE1-CD2 3.78Å; H72-H123 AromaticContact CE1-CE1 3.58Å; H72-H123 AromaticContact CE1-NE2 3.06Å; H72-H123 PolarHBondContact CE1-NE2 3.41Å; H72-H123 AromaticContact ND1-CD2 3.99Å; H72-H123 AromaticContact ND1-CE1 3.86Å; H72-H123 AromaticContact ND1-NE2 3.1Å; H72-H123 PolarHBondContact ND1-NE2 3.14Å
73	V	97.1	Very high	97.5	Very high	95 Å²	95	31.3 Å²	31.3	58%	0.576	17%	0.169	S	C	*	.	H	α-helix	trans	-58.2	-34.8	-168.9	63.1	0	0	0	0	113.3	S42 P43 H75 G77	S42-V73 WeakPolarHBondContact CA-O 3.17Å; P43-V73 HydrophobicContact CG-CG2 4.07Å; V73-H75 VanDerWaalsContact C-N 3.3Å; V73-G77 PolarHBondContact O-N 3.49Å
74	D	97.7	Very high	97.3	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-84.3	-2.4	-179.6	60.4	-40.6	0	0	0	113.9	S23 C25 G41 S42 H72 H188	S23-D74 PolarHBondContact OG-OD2 2.79Å; C25-D74 WeakPolarHBondContact CB-O 3.38Å; C25-D74 PolarHBondContact SG-O 2.77Å; G41-D74 CarbonylContact C-O 3.54Å; G41-D74 WeakPolarHBondContact CA-O 3.25Å; S42-D74 PolarHBondContact N-O 3.12Å; H72-D74 PolarHBondContact O-N 2.73Å; H72-D74 VanDerWaalsContact O-N 3.17Å; D74-H188 IonicContact OD2-CE1 3.79Å; D74-H188 PolarHBondContact OD2-CE1 3.45Å; D74-H188 IonicContact OD2-NE2 3.59Å
75	H	98.6	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-106	-31.1	171	-68.8	-109	0	0	0	112.2	C25 D39 P40 H70 H72 V73 D146 H188	C25-H75 WeakPolarHBondContact CB-CE1 3.47Å; C25-H75 WeakPolarHBondContact CB-NE2 3.46Å; D39-H75 CarbonylContact C-O 3.08Å; D39-H75 HydrophobicContact CB-CB 4.32Å; D39-H75 IonicContact OD1-ND1 3.19Å; D39-H75 IonicContact OD2-CE1 3.31Å; D39-H75 IonicContact OD2-CG 3.22Å; D39-H75 IonicContact OD2-ND1 3.63Å; D39-H75 PolarHBondContact OD2-ND1 3.42Å; P40-H75 WeakPolarHBondContact CD-O 3.48Å; P40-H75 WeakPolarHBondContact CG-O 3.41Å; H70-H75 AromaticContact CE1-CD2 3.45Å; H70-H75 PolarHBondContact CE1-CD2 2.93Å; H70-H75 VanDerWaalsContact CE1-CD2 3.45Å; H70-H75 AromaticContact CE1-CE1 3.5Å; H70-H75 AromaticContact CE1-CG 3.47Å; H70-H75 VanDerWaalsContact CE1-CG 3.47Å; H70-H75 AromaticContact CE1-ND1 3.49Å; H70-H75 PolarHBondContact CE1-ND1 2.62Å; H70-H75 AromaticContact CE1-NE2 3.54Å; H70-H75 AromaticContact ND1-CG 3.98Å; H70-H75 AromaticContact ND1-ND1 3.89Å; H70-H75 AromaticContact NE2-CD2 3.86Å; H72-H75 PolarHBondContact O-N 3.19Å; V73-H75 VanDerWaalsContact C-N 3.3Å; H75-D146 IonicContact CE1-OD1 3.38Å; H75-D146 PolarHBondContact CE1-OD1 3.21Å; H75-D146 IonicContact NE2-OD1 2.85Å; H75-D146 PolarHBondContact NE2-OD1 2.89Å; H75-D146 IonicContact NE2-OD2 3.89Å; H75-H188 AromaticContact NE2-CE1 3.68Å; H75-H188 AromaticContact NE2-NE2 3.75Å
76	I	97.8	Very high	97.3	Very high	47 Å²	47	32.1 Å²	32.1	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-106.9	-13.6	-172.3	73.2	173.2	0	0	0	115.5	C68 H70 H72 S78 L79 V89	C68-I76 HydrophobicContact CB-CG2 3.7Å; H70-I76 WeakPolarHBondContact O-CG2 3.4Å; H72-I76 PolarHBondContact O-N 3.35Å; H72-I76 VanDerWaalsContact O-N 3.08Å; I76-S78 VanDerWaalsContact C-N 3.28Å; I76-S78 PolarHBondContact O-N 2.73Å; I76-S78 VanDerWaalsContact O-N 3.11Å; I76-L79 HydrophobicContact CB-CD1 3.81Å; I76-L79 HydrophobicContact CB-CG 4.43Å; I76-L79 HydrophobicContact CG2-CD1 4.49Å; I76-L79 VanDerWaalsContact O-CB 3.31Å; I76-L79 WeakPolarHBondContact O-CB 3.45Å; I76-L79 WeakPolarHBondContact O-CD1 3.22Å; I76-L79 WeakPolarHBondContact O-CG 3.33Å; I76-L79 PolarHBondContact O-N 3.46Å; I76-V89 HydrophobicContact CG2-CG1 3.98Å
77	G	97.6	Very high	97.2	Very high	15 Å²	15	34.2 Å²	34.2	16%	0.155	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.8	-161.3	0	0	0	0	0	115.9	G41 V73	G41-G77 WeakPolarHBondContact O-CA 3.43Å; G41-G77 PolarHBondContact O-N 2.8Å; V73-G77 PolarHBondContact O-N 3.49Å
78	S	98	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	14	177	-57.9	0	0	0	0	114.5	P40 G41 S42 S46 I76 H80 I81	P40-S78 VanDerWaalsContact O-CB 3.24Å; P40-S78 WeakPolarHBondContact O-CB 3.43Å; P40-S78 PolarHBondContact O-OG 2.89Å; G41-S78 PolarHBondContact O-N 3.05Å; S42-S78 PolarHBondContact O-OG 3.17Å; S46-S78 WeakPolarHBondContact CA-OG 3.26Å; S46-S78 PolarHBondContact N-OG 3.03Å; S46-S78 VanDerWaalsContact N-OG 3.12Å; S46-S78 PolarHBondContact OG-OG 3.5Å; S46-S78 VanDerWaalsContact OG-OG 3.09Å; I76-S78 VanDerWaalsContact C-N 3.28Å; I76-S78 PolarHBondContact O-N 2.73Å; I76-S78 VanDerWaalsContact O-N 3.11Å; S78-H80 PolarHBondContact O-N 3.05Å; S78-I81 WeakPolarHBondContact O-CG1 3.47Å; S78-I81 PolarHBondContact O-N 3.46Å
79	L	96.1	Very high	97.1	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.157	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-50.4	-33.9	179.7	-88.8	169.3	0	0	0	114.6	P40 V66 I76 I81 F82 R87 V89	P40-L79 HydrophobicContact CG-CD2 4.31Å; P40-L79 HydrophobicContact CG-CG 4.1Å; V66-L79 HydrophobicContact CB-CD2 4.24Å; V66-L79 HydrophobicContact CG1-CD2 3.62Å; I76-L79 HydrophobicContact CB-CD1 3.81Å; I76-L79 HydrophobicContact CB-CG 4.43Å; I76-L79 HydrophobicContact CG2-CD1 4.49Å; I76-L79 VanDerWaalsContact O-CB 3.31Å; I76-L79 WeakPolarHBondContact O-CB 3.45Å; I76-L79 WeakPolarHBondContact O-CD1 3.22Å; I76-L79 WeakPolarHBondContact O-CG 3.33Å; I76-L79 PolarHBondContact O-N 3.46Å; L79-I81 PolarHBondContact O-N 2.97Å; L79-F82 PolarHBondContact O-N 3.36Å; L79-R87 HydrophobicContact CD2-CG 4.39Å; L79-R87 PolarHBondContact O-NH1 3.48Å; L79-V89 HydrophobicContact CD1-CG2 3.69Å; L79-V89 HydrophobicContact CD2-CG2 4.47Å
80	H	95.1	Very high	96.9	Very high	127 Å²	127	35.5 Å²	35.5	59%	0.588	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-66.5	-18.1	-174.4	68.7	-82.9	0	0	0	114.3	S46 S78 F82	S46-H80 PolarHBondContact OG-CE1 2.91Å; S78-H80 PolarHBondContact O-N 3.05Å; H80-F82 PolarHBondContact O-N 3.29Å
81	I	97.1	Very high	96.7	Very high	20 Å²	20	38.7 Å²	38.7	10%	0.103	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-78.4	-4.9	-177.7	77.4	-175.2	0	0	0	113.4	L49 L50 P60 S78 L79 P83	L49-I81 HydrophobicContact CB-CD1 4.29Å; L49-I81 HydrophobicContact CD2-CD1 3.88Å; L49-I81 HydrophobicContact CG-CD1 4.05Å; L50-I81 HydrophobicContact CD2-CB 4.29Å; L50-I81 HydrophobicContact CD2-CD1 4.1Å; L50-I81 HydrophobicContact CD2-CG1 4.48Å; L50-I81 HydrophobicContact CG-CD1 4.16Å; P60-I81 VanDerWaalsContact CB-O 3.22Å; P60-I81 WeakPolarHBondContact CB-O 3.46Å; S78-I81 WeakPolarHBondContact O-CG1 3.47Å; S78-I81 PolarHBondContact O-N 3.46Å; L79-I81 PolarHBondContact O-N 2.97Å; I81-P83 VanDerWaalsContact C-CD 3.49Å; I81-P83 WeakPolarHBondContact O-CD 3.35Å
82	F	96.9	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.			trans	-114.2	72.4	-174.9	-52.4	-77.3	0	0	0	111.7	L37 P40 L49 L53 P60 I63 V66 L79 H80 N84 S85 R87	L37-F82 HydrophobicContact CD1-CE1 4.06Å; L37-F82 HydrophobicContact CD1-CZ 3.79Å; L37-F82 HydrophobicContact CD2-CE2 4.1Å; L37-F82 HydrophobicContact CD2-CZ 3.83Å; L37-F82 HydrophobicContact CG-CZ 4.36Å; P40-F82 HydrophobicContact CB-CE2 3.67Å; P40-F82 HydrophobicContact CB-CZ 4.35Å; L49-F82 HydrophobicContact CD2-CE2 4.38Å; L49-F82 HydrophobicContact CD2-CZ 3.92Å; L53-F82 HydrophobicContact CD1-CE1 3.75Å; L53-F82 HydrophobicContact CD1-CZ 4.21Å; P60-F82 HydrophobicContact CB-CD1 3.98Å; P60-F82 HydrophobicContact CB-CE1 4.31Å; I63-F82 HydrophobicContact CB-CD1 4.11Å; I63-F82 HydrophobicContact CG1-CD1 3.71Å; I63-F82 HydrophobicContact CG1-CE1 3.9Å; I63-F82 HydrophobicContact CG2-CD1 4.42Å; V66-F82 HydrophobicContact CB-CD2 4.46Å; V66-F82 HydrophobicContact CG1-CD2 4.18Å; V66-F82 HydrophobicContact CG1-CE2 4.38Å; V66-F82 HydrophobicContact CG2-CB 3.56Å; V66-F82 HydrophobicContact CG2-CD1 3.98Å; V66-F82 HydrophobicContact CG2-CD2 3.55Å; V66-F82 HydrophobicContact CG2-CE2 4.19Å; V66-F82 HydrophobicContact CG2-CG 3.42Å; V66-F82 VanDerWaalsContact CG2-CG 3.42Å; L79-F82 PolarHBondContact O-N 3.36Å; H80-F82 PolarHBondContact O-N 3.29Å; F82-N84 VanDerWaalsContact C-N 3.26Å; F82-N84 PolarHBondContact O-N 3.01Å; F82-S85 WeakPolarHBondContact CB-OG 3.46Å; F82-S85 PolarHBondContact O-N 3.08Å; F82-S85 PolarHBondContact O-OG 2.67Å; F82-R87 PolarHBondContact O-NH1 3.33Å; F82-R87 PolarHBondContact O-NH2 3.22Å
83	P	93.3	Very high	96.6	Very high	66 Å²	66	35.8 Å²	35.8	43%	0.429	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.2	-167.2	26.8	-36.4	0	0	0	114.3	I81	I81-P83 VanDerWaalsContact C-CD 3.49Å; I81-P83 WeakPolarHBondContact O-CD 3.35Å
84	N	94.9	Very high	96.5	Very high	73 Å²	73	32.4 Å²	32.4	39%	0.39	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	3	-173.5	-63.5	-17.4	0	0	0	113.8	C61 F82 Q96	C61-N84 WeakPolarHBondContact O-CB 3.33Å; C61-N84 PolarHBondContact O-ND2 2.81Å; F82-N84 VanDerWaalsContact C-N 3.26Å; F82-N84 PolarHBondContact O-N 3.01Å; N84-Q96 WeakPolarHBondContact O-CG 3.46Å; N84-Q96 PolarHBondContact O-NE2 2.89Å
85	S	97.1	Very high	96.3	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	-80	151.7	-176.7	60.6	0	0	0	0	112.4	I63 V66 F82	I63-S85 WeakPolarHBondContact O-CA 3.44Å; I63-S85 WeakPolarHBondContact O-CB 3.28Å; V66-S85 WeakPolarHBondContact CG2-OG 3.49Å; F82-S85 WeakPolarHBondContact CB-OG 3.46Å; F82-S85 PolarHBondContact O-N 3.08Å; F82-S85 PolarHBondContact O-OG 2.67Å
86	T	97.4	Very high	95.9	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.4	152.3	-67.9	0	0	0	0	107.6	D64 F65 V66 L93 E94 Q96	D64-T86 PolarHBondContact O-N 3.14Å; F65-T86 VanDerWaalsContact CA-O 3.31Å; F65-T86 WeakPolarHBondContact CA-O 3.36Å; F65-T86 HydrophobicContact CD1-CG2 3.69Å; F65-T86 HydrophobicContact CE1-CG2 3.54Å; V66-T86 PolarHBondContact N-O 2.87Å; T86-L93 HydrophobicContact CG2-CD1 3.59Å; T86-E94 CarbonylContact C-O 3.59Å; T86-E94 WeakPolarHBondContact CA-O 3.32Å; T86-E94 WeakPolarHBondContact CG2-O 3.22Å; T86-Q96 PolarHBondContact OG1-N 3.21Å; T86-Q96 VanDerWaalsContact OG1-N 3.11Å
87	R	97.2	Very high	95.4	Very high	44 Å²	44	40.9 Å²	40.9	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.9	-178	-56.9	-179.9	-132.3	-83.8	-18.5	110.5	V66 L79 F82 E94	V66-R87 WeakPolarHBondContact O-CA 3.48Å; L79-R87 HydrophobicContact CD2-CG 4.39Å; L79-R87 PolarHBondContact O-NH1 3.48Å; F82-R87 PolarHBondContact O-NH1 3.33Å; F82-R87 PolarHBondContact O-NH2 3.22Å; R87-E94 HydrophobicContact CB-CB 4.22Å; R87-E94 VanDerWaalsContact CD-OE2 3.3Å; R87-E94 WeakPolarHBondContact CD-OE2 3.45Å; R87-E94 IonicContact CZ-OE2 3.15Å; R87-E94 PolarHBondContact N-O 3.02Å; R87-E94 IonicContact NE-OE2 3.88Å; R87-E94 PolarHBondContact NE-OE2 3.26Å; R87-E94 PolarHBondContact O-N 2.73Å
88	I	97.7	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.5	172	-63	174.7	0	0	0	107	F65 V66 I67 C68 N92 L93 L105 Y109 I117	F65-I88 HydrophobicContact CD1-CD1 4.46Å; V66-I88 PolarHBondContact O-N 2.77Å; I67-I88 CarbonylContact C-O 3.52Å; I67-I88 WeakPolarHBondContact CA-O 3.24Å; I67-I88 HydrophobicContact CG1-CB 4.38Å; I67-I88 HydrophobicContact CG1-CD1 4.44Å; I67-I88 HydrophobicContact CG2-CB 4.22Å; I67-I88 HydrophobicContact CG2-CG2 4.27Å; C68-I88 PolarHBondContact N-O 2.92Å; I88-N92 CarbonylContact C-O 3.52Å; I88-N92 VanDerWaalsContact CA-O 3.27Å; I88-N92 WeakPolarHBondContact CA-O 3.34Å; I88-L93 HydrophobicContact CD1-CD1 4.07Å; I88-L93 HydrophobicContact CG1-CD1 3.6Å; I88-L105 HydrophobicContact CD1-CD1 4.05Å; I88-L105 HydrophobicContact CG1-CD1 4.47Å; I88-L105 HydrophobicContact CG2-CD1 4.48Å; I88-L105 HydrophobicContact CG2-CD2 3.84Å; I88-Y109 HydrophobicContact CD1-CD1 4.36Å; I88-Y109 HydrophobicContact CD1-CE1 4.22Å; I88-I117 HydrophobicContact CD1-CD1 3.29Å; I88-I117 HydrophobicContact CG2-CD1 4.31Å
89	V	97.3	Very high	94.1	Very high	28 Å²	28	52.8 Å²	52.8	17%	0.17	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	100.3	178	-176.5	0	0	0	0	108.4	C68 D71 I76 L79 E91 N92	C68-V89 HydrophobicContact CB-CB 4.35Å; C68-V89 HydrophobicContact CB-CG1 4.13Å; C68-V89 HydrophobicContact CB-CG2 4.15Å; D71-V89 HydrophobicContact CB-CG1 4.26Å; I76-V89 HydrophobicContact CG2-CG1 3.98Å; L79-V89 HydrophobicContact CD1-CG2 3.69Å; L79-V89 HydrophobicContact CD2-CG2 4.47Å; V89-E91 PolarHBondContact O-N 3.01Å; V89-E91 VanDerWaalsContact O-N 3.16Å; V89-N92 PolarHBondContact N-O 3.12Å; V89-N92 WeakPolarHBondContact O-CB 3.38Å; V89-N92 PolarHBondContact O-N 3.06Å; V89-N92 PolarHBondContact O-ND2 3.34Å
90	G	95	Very high	93.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	-118.4	-166	0	0	0	0	0	110.5	C68 S126 I128	C68-G90 PolarHBondContact O-N 2.88Å; G90-S126 CarbonylContact C-O 3.49Å; G90-S126 WeakPolarHBondContact CA-O 3.22Å; G90-I128 WeakPolarHBondContact O-CG2 3.29Å
91	E	94	Very high	93.1	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.3	177.7	-60.7	-170.9	156.4	0	0	114.6	V89 I104 L105	V89-E91 PolarHBondContact O-N 3.01Å; V89-E91 VanDerWaalsContact O-N 3.16Å; E91-I104 CarbonylContact O-C 3.59Å; E91-I104 WeakPolarHBondContact O-CA 3.39Å; E91-L105 WeakPolarHBondContact O-CB 3.41Å; E91-L105 PolarHBondContact O-N 3.2Å
92	N	96	Very high	92.8	Very high	87 Å²	87	60.4 Å²	60.4	47%	0.465	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.4	177.5	-65.1	-83.9	0	0	0	110.8	I88 V89	I88-N92 CarbonylContact C-O 3.52Å; I88-N92 VanDerWaalsContact CA-O 3.27Å; I88-N92 WeakPolarHBondContact CA-O 3.34Å; V89-N92 PolarHBondContact N-O 3.12Å; V89-N92 WeakPolarHBondContact O-CB 3.38Å; V89-N92 PolarHBondContact O-N 3.06Å; V89-N92 PolarHBondContact O-ND2 3.34Å
93	L	96.7	Very high	92.7	Very high	13 Å²	13	63.2 Å²	63.2	7%	0.068	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.2	176.7	169.7	64.5	0	0	0	110.7	T86 I88 V95 F102 S103 L105 Y109	T86-L93 HydrophobicContact CG2-CD1 3.59Å; I88-L93 HydrophobicContact CD1-CD1 4.07Å; I88-L93 HydrophobicContact CG1-CD1 3.6Å; L93-V95 HydrophobicContact CD1-CG2 4.28Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.1Å; L93-F102 CarbonylContact O-C 3.53Å; L93-F102 WeakPolarHBondContact O-CA 3.45Å; L93-S103 PolarHBondContact N-O 2.73Å; L93-S103 PolarHBondContact O-N 3.3Å; L93-L105 HydrophobicContact CB-CB 4.37Å; L93-L105 HydrophobicContact CB-CD1 4.14Å; L93-L105 HydrophobicContact CD2-CD1 4.13Å; L93-Y109 HydrophobicContact CD2-CE2 4.04Å
94	E	95.4	Very high	92.7	Very high	25 Å²	25	66.2 Å²	66.2	12%	0.117	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.2	168.3	-166.8	-170.2	-167.3	0	0	109.1	T86 R87 D100 F102	T86-E94 CarbonylContact C-O 3.59Å; T86-E94 WeakPolarHBondContact CA-O 3.32Å; T86-E94 WeakPolarHBondContact CG2-O 3.22Å; R87-E94 HydrophobicContact CB-CB 4.22Å; R87-E94 VanDerWaalsContact CD-OE2 3.3Å; R87-E94 WeakPolarHBondContact CD-OE2 3.45Å; R87-E94 IonicContact CZ-OE2 3.15Å; R87-E94 PolarHBondContact N-O 3.02Å; R87-E94 IonicContact NE-OE2 3.88Å; R87-E94 PolarHBondContact NE-OE2 3.26Å; R87-E94 PolarHBondContact O-N 2.73Å; E94-D100 PolarHBondContact OE1-N 2.85Å; E94-F102 HydrophobicContact CB-CD1 3.66Å; E94-F102 HydrophobicContact CB-CE1 3.6Å; E94-F102 HydrophobicContact CG-CD1 4.06Å; E94-F102 HydrophobicContact CG-CE1 3.73Å; E94-F102 HydrophobicContact CG-CZ 4.32Å
95	V	93	Very high	92.7	Very high	62 Å²	62	63 Å²	63	38%	0.376	34%	0.342	S	S	.	.			trans	-77.9	139.8	-179.3	179.9	0	0	0	0	110.4	L93 G97 L98	L93-V95 HydrophobicContact CD1-CG2 4.28Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.1Å; V95-G97 PolarHBondContact O-N 3.24Å; V95-L98 HydrophobicContact CB-CD1 4.3Å; V95-L98 PolarHBondContact O-N 3.42Å
96	Q	90	Very high	92.7	Very high	112 Å²	112	71.3 Å²	71.3	52%	0.523	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	129.5	175.1	177.8	-176.2	40.4	0	0	112.1	N84 T86 L98	N84-Q96 WeakPolarHBondContact O-CG 3.46Å; N84-Q96 PolarHBondContact O-NE2 2.89Å; T86-Q96 PolarHBondContact OG1-N 3.21Å; T86-Q96 VanDerWaalsContact OG1-N 3.11Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 2.77Å
97	G	87.4	Confident	92.7	Very high	72 Å²	72	73.3 Å²	73.3	74%	0.742	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-12.2	177.6	0	0	0	0	0	115.1	V95	V95-G97 PolarHBondContact O-N 3.24Å
98	L	87.1	Confident	92.7	Very high	100 Å²	100	76 Å²	76	52%	0.524	41%	0.413	S	S	.	.			trans	-102.3	69.5	176.4	-59.3	-177.2	0	0	0	110.7	V95 Q96 D100 C101	V95-L98 HydrophobicContact CB-CD1 4.3Å; V95-L98 PolarHBondContact O-N 3.42Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 2.77Å; L98-D100 PolarHBondContact O-N 2.81Å; L98-C101 HydrophobicContact CB-CB 3.89Å; L98-C101 WeakPolarHBondContact O-CB 3.27Å; L98-C101 PolarHBondContact O-N 2.84Å
99	K	81	Confident	92.7	Very high	165 Å²	165	79 Å²	79	72%	0.717	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	139.2	-179.5	-63.2	-174.7	179.6	-176.5	0	111.2	C101	K99-C101 PolarHBondContact O-N 3.38Å; K99-C101 VanDerWaalsContact O-N 3.12Å; K99-C101 PolarHBondContact O-SG 3.34Å; K99-C101 VanDerWaalsContact O-SG 3.4Å
100	D	83.7	Confident	92.7	Very high	143 Å²	143	84.4 Å²	84.4	77%	0.765	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	15.6	180	-51.3	-46.8	0	0	0	114	E94 L98	E94-D100 PolarHBondContact OE1-N 2.85Å; L98-D100 PolarHBondContact O-N 2.81Å
101	C	87.7	Confident	92.8	Very high	70 Å²	70	85.6 Å²	85.6	47%	0.473	45%	0.454	S	S	.	.			trans	-114.9	116.5	178.8	-60.5	0	0	0	0	110	L98 K99	L98-C101 HydrophobicContact CB-CB 3.89Å; L98-C101 WeakPolarHBondContact O-CB 3.27Å; L98-C101 PolarHBondContact O-N 2.84Å; K99-C101 PolarHBondContact O-N 3.38Å; K99-C101 VanDerWaalsContact O-N 3.12Å; K99-C101 PolarHBondContact O-SG 3.34Å; K99-C101 VanDerWaalsContact O-SG 3.4Å
102	F	90.7	Very high	92.9	Very high	124 Å²	124	83.8 Å²	83.8	54%	0.544	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.8	-176.4	-52.3	-89.1	0	0	0	111.2	L93 E94	L93-F102 CarbonylContact O-C 3.53Å; L93-F102 WeakPolarHBondContact O-CA 3.45Å; E94-F102 HydrophobicContact CB-CD1 3.66Å; E94-F102 HydrophobicContact CB-CE1 3.6Å; E94-F102 HydrophobicContact CG-CD1 4.06Å; E94-F102 HydrophobicContact CG-CE1 3.73Å; E94-F102 HydrophobicContact CG-CZ 4.32Å
103	S	94.1	Very high	92.8	Very high	59 Å²	59	83.8 Å²	83.8	41%	0.413	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.4	169.5	63.9	0	0	0	0	110.1	L93 L105	L93-S103 PolarHBondContact N-O 2.73Å; L93-S103 PolarHBondContact O-N 3.3Å; S103-L105 PolarHBondContact O-N 2.79Å
104	I	94.1	Very high	92.8	Very high	129 Å²	129	85.4 Å²	85.4	66%	0.662	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.2	170.6	-63	162.2	0	0	0	107.9	E91 K106	E91-I104 CarbonylContact O-C 3.59Å; E91-I104 WeakPolarHBondContact O-CA 3.39Å; I104-K106 PolarHBondContact O-N 2.97Å
105	L	95.2	Very high	92.9	Very high	7 Å²	7	84.2 Å²	84.2	4%	0.037	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-62.1	123.6	172.6	-171.5	78.5	0	0	0	109	I88 E91 L93 S103 T107 Y109 I117 I128	I88-L105 HydrophobicContact CD1-CD1 4.05Å; I88-L105 HydrophobicContact CG1-CD1 4.47Å; I88-L105 HydrophobicContact CG2-CD1 4.48Å; I88-L105 HydrophobicContact CG2-CD2 3.84Å; E91-L105 WeakPolarHBondContact O-CB 3.41Å; E91-L105 PolarHBondContact O-N 3.2Å; L93-L105 HydrophobicContact CB-CB 4.37Å; L93-L105 HydrophobicContact CB-CD1 4.14Å; L93-L105 HydrophobicContact CD2-CD1 4.13Å; S103-L105 PolarHBondContact O-N 2.79Å; L105-T107 HydrophobicContact CD2-CG2 3.99Å; L105-T107 HydrophobicContact CG-CG2 4.41Å; L105-Y109 HydrophobicContact CD1-CD1 4.11Å; L105-Y109 HydrophobicContact CD1-CD2 3.58Å; L105-Y109 HydrophobicContact CD1-CE2 4.11Å; L105-Y109 HydrophobicContact CD1-CG 3.58Å; L105-Y109 HydrophobicContact CG-CG 4.46Å; L105-I117 HydrophobicContact CD2-CG2 3.94Å; L105-I128 HydrophobicContact CD2-CG2 4.34Å
106	K	96.1	Very high	93.2	Very high	177 Å²	177	83.2 Å²	83.2	77%	0.77	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-94.8	125.6	171.3	-66.1	-176.7	-179.3	178.9	0	108.8	I104 P108 Y109	I104-K106 PolarHBondContact O-N 2.97Å; K106-P108 CarbonylContact O-C 3.55Å; K106-Y109 WeakPolarHBondContact O-CB 3.37Å
107	T	96.4	Very high	93.6	Very high	53 Å²	53	77.9 Å²	77.9	33%	0.325	42%	0.421	S	S	.	.	S	Bend	trans	-103.1	147.1	178.8	56.9	0	0	0	0	111.6	L105 I117 S119	L105-T107 HydrophobicContact CD2-CG2 3.99Å; L105-T107 HydrophobicContact CG-CG2 4.41Å; T107-I117 HydrophobicContact CG2-CG2 4.49Å; T107-S119 VanDerWaalsContact OG1-CB 3.32Å; T107-S119 WeakPolarHBondContact OG1-CB 3.47Å
108	P	97.3	Very high	94.1	Very high	102 Å²	102	75.5 Å²	75.5	66%	0.662	39%	0.391	S	S	*	.	S	Bend	cis	-65.7	140.1	-5.9	29.4	-34.4	0	0	0	112	K106 I117 I118	K106-P108 CarbonylContact O-C 3.55Å; P108-I117 CarbonylContact C-O 3.53Å; P108-I117 WeakPolarHBondContact CA-O 3.48Å; P108-I118 HydrophobicContact CB-CG2 4.32Å
109	Y	97.6	Very high	94.6	Very high	63 Å²	63	72.8 Å²	72.8	25%	0.247	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.3	175.2	-179.5	-92	0	0	0	108.8	I88 L93 L105 K106 I111 H116 I117	I88-Y109 HydrophobicContact CD1-CD1 4.36Å; I88-Y109 HydrophobicContact CD1-CE1 4.22Å; L93-Y109 HydrophobicContact CD2-CE2 4.04Å; L105-Y109 HydrophobicContact CD1-CD1 4.11Å; L105-Y109 HydrophobicContact CD1-CD2 3.58Å; L105-Y109 HydrophobicContact CD1-CE2 4.11Å; L105-Y109 HydrophobicContact CD1-CG 3.58Å; L105-Y109 HydrophobicContact CG-CG 4.46Å; K106-Y109 WeakPolarHBondContact O-CB 3.37Å; Y109-I111 HydrophobicContact CD1-CG1 4.01Å; Y109-I111 HydrophobicContact CE1-CG1 3.82Å; Y109-H116 CarbonylContact O-C 3.54Å; Y109-H116 VanDerWaalsContact O-CA 3.22Å; Y109-H116 WeakPolarHBondContact O-CA 3.36Å; Y109-H116 WeakPolarHBondContact O-CB 3.46Å; Y109-I117 HydrophobicContact CD1-CD1 4.08Å; Y109-I117 PolarHBondContact N-O 2.93Å; Y109-I117 PolarHBondContact O-N 3.29Å
110	E	97.4	Very high	95.5	Very high	141 Å²	141	65 Å²	65	66%	0.659	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.9	-179	-166.2	177.9	155.2	0	0	110.1	D112	E110-D112 WeakPolarHBondContact CG-O 3.46Å
111	I	96.9	Very high	96.2	Very high	26 Å²	26	59.6 Å²	59.6	13%	0.133	32%	0.319	C	S	.	.	S	Bend	trans	-84.7	-46.1	169.4	-67.7	177.3	0	0	0	108.9	K34 I36 F65 I67 Y109 I115 I117	K34-I111 HydrophobicContact CG-CG2 4.21Å; I36-I111 HydrophobicContact CD1-CD1 4.13Å; I36-I111 HydrophobicContact CD1-CG2 4.15Å; F65-I111 HydrophobicContact CD1-CD1 4.05Å; F65-I111 HydrophobicContact CD2-CD1 4.42Å; F65-I111 HydrophobicContact CD2-CG2 4.2Å; F65-I111 HydrophobicContact CE1-CD1 4.19Å; F65-I111 HydrophobicContact CE1-CG1 4.22Å; F65-I111 HydrophobicContact CE2-CG2 3.71Å; F65-I111 HydrophobicContact CG-CD1 4.18Å; F65-I111 HydrophobicContact CZ-CD1 4.46Å; F65-I111 HydrophobicContact CZ-CG1 4.24Å; F65-I111 HydrophobicContact CZ-CG2 4.02Å; I67-I111 HydrophobicContact CD1-CD1 3.74Å; Y109-I111 HydrophobicContact CD1-CG1 4.01Å; Y109-I111 HydrophobicContact CE1-CG1 3.82Å; I111-I115 HydrophobicContact CB-CB 4.18Å; I111-I115 HydrophobicContact CB-CG2 4.2Å; I111-I115 WeakPolarHBondContact CB-O 3.36Å; I111-I115 HydrophobicContact CD1-CG2 3.95Å; I111-I115 HydrophobicContact CG1-CG2 4.48Å; I111-I115 PolarHBondContact N-O 3.43Å; I111-I117 HydrophobicContact CD1-CD1 4.22Å
112	D	96.6	Very high	96.7	Very high	29 Å²	29	56.3 Å²	56.3	16%	0.155	30%	0.297	C	S	.	.	S	Bend	trans	-159.2	-171.8	169.2	64.1	39.1	0	0	0	110.9	Y3 E110 F114 I115	Y3-D112 VanDerWaalsContact CE2-OD2 3.29Å; Y3-D112 WeakPolarHBondContact CE2-OD2 3.33Å; Y3-D112 PolarHBondContact OH-OD2 2.81Å; E110-D112 WeakPolarHBondContact CG-O 3.46Å; D112-F114 PolarHBondContact O-N 2.86Å; D112-F114 VanDerWaalsContact O-N 3.08Å; D112-F114 WeakPolarHBondContact OD1-CA 3.06Å; D112-F114 PolarHBondContact OD1-N 2.73Å; D112-I115 PolarHBondContact N-O 3.03Å; D112-I115 VanDerWaalsContact N-O 3.12Å; D112-I115 PolarHBondContact O-N 2.94Å; D112-I115 PolarHBondContact OD1-N 2.84Å
113	S	95	Very high	97	Very high	88 Å²	88	50.8 Å²	50.8	62%	0.615	27%	0.273	S	S	*	.	S	Bend	trans	-62.9	-14.6	-178.1	62.2	0	0	0	0	115.2
114	F	96.5	Very high	97.2	Very high	47 Å²	47	48.6 Å²	48.6	21%	0.206	26%	0.257	C	S	.	.	S	Bend	trans	-111.6	-25.1	179.8	-65.4	-82.8	0	0	0	112.9	K2 Y3 D112 E133 D134	K2-F114 HydrophobicContact CG-CE1 4.35Å; Y3-F114 HydrophobicContact CD2-CB 3.72Å; Y3-F114 HydrophobicContact CD2-CG 4.38Å; Y3-F114 HydrophobicContact CE2-CB 3.92Å; D112-F114 PolarHBondContact O-N 2.86Å; D112-F114 VanDerWaalsContact O-N 3.08Å; D112-F114 WeakPolarHBondContact OD1-CA 3.06Å; D112-F114 PolarHBondContact OD1-N 2.73Å; F114-E133 HydrophobicContact CD1-CB 4.45Å; F114-E133 PolarHBondContact O-N 3.16Å; F114-D134 HydrophobicContact CD1-CB 4.47Å; F114-D134 HydrophobicContact CE1-CB 4.36Å
115	I	97.9	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.1	-176.5	-50.2	-62.1	0	0	0	110.8	Y3 L30 I36 I111 D112 V130 I131 V132	Y3-I115 HydrophobicContact CD1-CD1 4.16Å; Y3-I115 HydrophobicContact CD1-CG1 4.28Å; Y3-I115 HydrophobicContact CD2-CD1 3.78Å; Y3-I115 HydrophobicContact CD2-CG1 3.76Å; Y3-I115 HydrophobicContact CE1-CD1 4.3Å; Y3-I115 HydrophobicContact CE1-CG1 3.93Å; Y3-I115 HydrophobicContact CE2-CD1 3.93Å; Y3-I115 HydrophobicContact CE2-CG1 3.35Å; Y3-I115 HydrophobicContact CG-CD1 3.9Å; Y3-I115 HydrophobicContact CG-CG1 4.2Å; Y3-I115 VanDerWaalsContact CZ-CG1 3.45Å; L30-I115 HydrophobicContact CD1-CD1 3.99Å; I36-I115 HydrophobicContact CD1-CB 4.29Å; I36-I115 HydrophobicContact CD1-CG1 4.07Å; I36-I115 HydrophobicContact CD1-CG2 3.87Å; I111-I115 HydrophobicContact CB-CB 4.18Å; I111-I115 HydrophobicContact CB-CG2 4.2Å; I111-I115 WeakPolarHBondContact CB-O 3.36Å; I111-I115 HydrophobicContact CD1-CG2 3.95Å; I111-I115 HydrophobicContact CG1-CG2 4.48Å; I111-I115 PolarHBondContact N-O 3.43Å; D112-I115 PolarHBondContact N-O 3.03Å; D112-I115 VanDerWaalsContact N-O 3.12Å; D112-I115 PolarHBondContact O-N 2.94Å; D112-I115 PolarHBondContact OD1-N 2.84Å; I115-V130 HydrophobicContact CG2-CG1 3.98Å; I115-I131 WeakPolarHBondContact CA-O 3.38Å; I115-V132 HydrophobicContact CD1-CB 4.07Å; I115-V132 HydrophobicContact CD1-CG1 3.59Å; I115-V132 HydrophobicContact CD1-CG2 3.96Å
116	H	98	Very high	97.4	Very high	41 Å²	41	48.5 Å²	48.5	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160	170	62.1	-83.7	0	0	0	111.5	Y109 I131 E133	Y109-H116 CarbonylContact O-C 3.54Å; Y109-H116 VanDerWaalsContact O-CA 3.22Å; Y109-H116 WeakPolarHBondContact O-CA 3.36Å; Y109-H116 WeakPolarHBondContact O-CB 3.46Å; H116-I131 WeakPolarHBondContact CE1-CG2 3.39Å; H116-I131 PolarHBondContact N-O 3.41Å; H116-I131 WeakPolarHBondContact NE2-CB 3.4Å; H116-I131 WeakPolarHBondContact NE2-CG2 3.33Å; H116-I131 WeakPolarHBondContact O-CA 3.49Å; H116-I131 WeakPolarHBondContact O-CB 3.44Å; H116-I131 PolarHBondContact O-N 3.47Å; H116-E133 IonicContact CE1-OE1 3.14Å; H116-E133 PolarHBondContact CE1-OE1 3.46Å
117	I	98.6	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.3	-178.1	-57.4	169.7	0	0	0	108.6	I67 I88 L105 T107 P108 Y109 I111 I128 S129	I67-I117 HydrophobicContact CD1-CD1 3.93Å; I67-I117 HydrophobicContact CD1-CG1 4.4Å; I67-I117 HydrophobicContact CG1-CD1 4.44Å; I67-I117 HydrophobicContact CG2-CD1 4.31Å; I88-I117 HydrophobicContact CD1-CD1 3.29Å; I88-I117 HydrophobicContact CG2-CD1 4.31Å; L105-I117 HydrophobicContact CD2-CG2 3.94Å; T107-I117 HydrophobicContact CG2-CG2 4.49Å; P108-I117 CarbonylContact C-O 3.53Å; P108-I117 WeakPolarHBondContact CA-O 3.48Å; Y109-I117 HydrophobicContact CD1-CD1 4.08Å; Y109-I117 PolarHBondContact N-O 2.93Å; Y109-I117 PolarHBondContact O-N 3.29Å; I111-I117 HydrophobicContact CD1-CD1 4.22Å; I117-I128 HydrophobicContact CG2-CB 3.67Å; I117-I128 HydrophobicContact CG2-CD1 3.73Å; I117-I128 HydrophobicContact CG2-CG1 4.01Å; I117-I128 HydrophobicContact CG2-CG2 4.2Å; I117-S129 WeakPolarHBondContact CA-O 3.27Å
118	I	98.5	Very high	97.6	Very high	22 Å²	22	37.8 Å²	37.8	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.4	174.4	60.3	168.4	0	0	0	110.3	P108 T120 I128 S129 I131 F176 I177	P108-I118 HydrophobicContact CB-CG2 4.32Å; I118-T120 HydrophobicContact CD1-CG2 3.89Å; I118-T120 HydrophobicContact CG1-CG2 4Å; I118-I128 CarbonylContact O-C 3.49Å; I118-I128 VanDerWaalsContact O-CA 3.27Å; I118-I128 WeakPolarHBondContact O-CA 3.46Å; I118-I128 WeakPolarHBondContact O-CB 3.24Å; I118-S129 PolarHBondContact N-O 3.33Å; I118-S129 PolarHBondContact O-N 3.02Å; I118-I131 HydrophobicContact CD1-CD1 3.79Å; I118-I131 HydrophobicContact CD1-CG1 4Å; I118-I131 HydrophobicContact CG1-CD1 3.99Å; I118-I131 HydrophobicContact CG1-CG1 3.9Å; I118-I131 HydrophobicContact CG2-CG1 4.23Å; I118-F176 HydrophobicContact CD1-CD1 4.3Å; I118-F176 HydrophobicContact CD1-CE1 3.64Å; I118-I177 HydrophobicContact CD1-CD1 4.02Å
119	S	98.4	Very high	97.7	Very high	42 Å²	42	32.9 Å²	32.9	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.5	170.8	-179.3	0	0	0	0	109.3	T107 P121	T107-S119 VanDerWaalsContact OG1-CB 3.32Å; T107-S119 WeakPolarHBondContact OG1-CB 3.47Å; S119-P121 WeakPolarHBondContact OG-CD 3.23Å
120	T	98.6	Very high	97.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.165	C	C	.	.			trans	-137.8	57.7	179.5	49.5	0	0	0	0	111.1	I118 D127 S129 L147 I177	I118-T120 HydrophobicContact CD1-CG2 3.89Å; I118-T120 HydrophobicContact CG1-CG2 4Å; T120-D127 CarbonylContact C-O 3.6Å; T120-D127 PolarHBondContact N-O 3.06Å; T120-D127 VanDerWaalsContact O-CB 3.26Å; T120-D127 WeakPolarHBondContact O-CB 3.36Å; T120-S129 VanDerWaalsContact CG2-OG 3.28Å; T120-S129 WeakPolarHBondContact CG2-OG 3.13Å; T120-S129 PolarHBondContact OG1-N 3.18Å; T120-S129 PolarHBondContact OG1-OG 2.97Å; T120-L147 HydrophobicContact CG2-CD2 4.22Å; T120-I177 HydrophobicContact CG2-CD1 4.14Å; T120-I177 HydrophobicContact CG2-CG1 4.39Å
121	P	98.3	Very high	97.8	Very high	31 Å²	31	23.2 Å²	23.2	20%	0.201	13%	0.134	C	C	.	.			trans	-63.4	157.1	-171.6	28.8	-34.8	0	0	0	111.2	S119 I169 S173	S119-P121 WeakPolarHBondContact OG-CD 3.23Å; P121-I169 HydrophobicContact CB-CG2 3.89Å; P121-I169 HydrophobicContact CG-CG2 3.62Å; P121-I169 WeakPolarHBondContact O-CG2 3.36Å; P121-S173 WeakPolarHBondContact O-CB 3.2Å; P121-S173 PolarHBondContact O-OG 3.07Å
122	G	98.1	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	152	-53.1	170.4	0	0	0	0	0	114.2	T124 D127 S164 N165 N166 Q170	G122-T124 CarbonylContact C-O 3.57Å; G122-T124 PolarHBondContact N-O 2.78Å; G122-D127 PolarHBondContact N-OD2 2.79Å; G122-S164 PolarHBondContact O-OG 3.18Å; G122-N165 PolarHBondContact O-N 3.36Å; G122-N165 VanDerWaalsContact O-N 3.15Å; G122-N166 PolarHBondContact O-N 3.38Å; G122-Q170 VanDerWaalsContact CA-CB 3.47Å
123	H	98.3	Very high	97.8	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	-67.8	-51.5	175	170.5	76.5	0	0	0	109.2	H70 H72 D127 D146 S163 N165	H70-H123 AromaticContact CD2-CD2 3.6Å; H70-H123 AromaticContact CD2-NE2 3.73Å; H70-H123 AromaticContact CE1-NE2 3.97Å; H70-H123 AromaticContact NE2-CD2 3.5Å; H70-H123 AromaticContact NE2-NE2 3.24Å; H70-H123 PolarHBondContact NE2-NE2 3.42Å; H72-H123 AromaticContact CE1-CD2 3.78Å; H72-H123 AromaticContact CE1-CE1 3.58Å; H72-H123 AromaticContact CE1-NE2 3.06Å; H72-H123 PolarHBondContact CE1-NE2 3.41Å; H72-H123 AromaticContact ND1-CD2 3.99Å; H72-H123 AromaticContact ND1-CE1 3.86Å; H72-H123 AromaticContact ND1-NE2 3.1Å; H72-H123 PolarHBondContact ND1-NE2 3.14Å; H123-D127 WeakPolarHBondContact CA-OD2 3.42Å; H123-D127 VanDerWaalsContact CB-OD2 3.23Å; H123-D127 WeakPolarHBondContact CB-OD2 3.11Å; H123-D127 PolarHBondContact N-OD2 3.09Å; H123-D146 HydrophobicContact CB-CB 4.35Å; H123-D146 WeakPolarHBondContact CD2-CB 3.41Å; H123-D146 IonicContact CD2-OD2 3.53Å; H123-D146 VanDerWaalsContact CE1-CB 3.5Å; H123-D146 WeakPolarHBondContact CE1-CB 3.23Å; H123-D146 IonicContact CE1-OD2 2.82Å; H123-D146 PolarHBondContact CE1-OD2 2.94Å; H123-D146 WeakPolarHBondContact NE2-CB 3.44Å; H123-D146 IonicContact NE2-OD2 3.36Å; H123-D146 PolarHBondContact NE2-OD2 3.22Å; H123-S163 PolarHBondContact ND1-O 3.31Å; H123-N165 WeakPolarHBondContact O-CB 3.47Å; H123-N165 PolarHBondContact O-N 3.45Å
124	T	98.1	Very high	97.7	Very high	12 Å²	12	21.9 Å²	21.9	7%	0.074	12%	0.119	C	C	.	.	S	Bend	trans	-114.2	168.7	154.8	86.9	0	0	0	0	110.1	H70 G122 S126 D127	H70-T124 HydrophobicContact CB-CG2 3.97Å; G122-T124 CarbonylContact C-O 3.57Å; G122-T124 PolarHBondContact N-O 2.78Å; T124-S126 VanDerWaalsContact C-N 3.26Å; T124-S126 PolarHBondContact O-N 3.38Å; T124-S126 PolarHBondContact OG1-N 2.78Å; T124-D127 WeakPolarHBondContact CA-OD1 3.41Å; T124-D127 WeakPolarHBondContact CB-OD1 3.41Å; T124-D127 WeakPolarHBondContact CG2-OD1 3.1Å; T124-D127 VanDerWaalsContact N-CG 3.27Å; T124-D127 PolarHBondContact N-OD1 2.99Å; T124-D127 PolarHBondContact N-OD2 2.79Å; T124-D127 VanDerWaalsContact O-OD2 3.09Å; T124-D127 PolarHBondContact OG1-N 3.02Å; T124-D127 PolarHBondContact OG1-OD1 2.82Å
125	L	96.3	Very high	97.5	Very high	104 Å²	104	20 Å²	20	55%	0.545	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.4	178	-62.8	179.5	0	0	0	113.5	N165 N166	L125-N165 WeakPolarHBondContact CD2-OD1 3.37Å; L125-N165 WeakPolarHBondContact CG-OD1 3.05Å; L125-N166 HydrophobicContact CD2-CB 4.47Å
126	S	96.6	Very high	97	Very high	31 Å²	31	25.1 Å²	25.1	22%	0.217	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	18	-178.6	53.1	0	0	0	0	113.2	G90 T124	G90-S126 CarbonylContact C-O 3.49Å; G90-S126 WeakPolarHBondContact CA-O 3.22Å; T124-S126 VanDerWaalsContact C-N 3.26Å; T124-S126 PolarHBondContact O-N 3.38Å; T124-S126 PolarHBondContact OG1-N 2.78Å
127	D	98.6	Very high	96.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.			trans	-60.8	138.9	179.4	-61.6	-23.6	0	0	0	111.5	T69 H70 T120 G122 H123 T124	T69-D127 WeakPolarHBondContact O-CA 3.46Å; H70-D127 WeakPolarHBondContact CB-OD1 3.08Å; H70-D127 IonicContact CG-OD1 3.14Å; T120-D127 CarbonylContact C-O 3.6Å; T120-D127 PolarHBondContact N-O 3.06Å; T120-D127 VanDerWaalsContact O-CB 3.26Å; T120-D127 WeakPolarHBondContact O-CB 3.36Å; G122-D127 PolarHBondContact N-OD2 2.79Å; H123-D127 WeakPolarHBondContact CA-OD2 3.42Å; H123-D127 VanDerWaalsContact CB-OD2 3.23Å; H123-D127 WeakPolarHBondContact CB-OD2 3.11Å; H123-D127 PolarHBondContact N-OD2 3.09Å; T124-D127 WeakPolarHBondContact CA-OD1 3.41Å; T124-D127 WeakPolarHBondContact CB-OD1 3.41Å; T124-D127 WeakPolarHBondContact CG2-OD1 3.1Å; T124-D127 VanDerWaalsContact N-CG 3.27Å; T124-D127 PolarHBondContact N-OD1 2.99Å; T124-D127 PolarHBondContact N-OD2 2.79Å; T124-D127 VanDerWaalsContact O-OD2 3.09Å; T124-D127 PolarHBondContact OG1-N 3.02Å; T124-D127 PolarHBondContact OG1-OD1 2.82Å
128	I	98.8	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.7	170.4	62.1	86.1	0	0	0	110.5	I67 T69 G90 L105 I117 I118 V130	I67-I128 HydrophobicContact CG2-CD1 3.48Å; I67-I128 VanDerWaalsContact CG2-CD1 3.48Å; T69-I128 WeakPolarHBondContact CB-O 3.27Å; T69-I128 PolarHBondContact O-N 3.12Å; G90-I128 WeakPolarHBondContact O-CG2 3.29Å; L105-I128 HydrophobicContact CD2-CG2 4.34Å; I117-I128 HydrophobicContact CG2-CB 3.67Å; I117-I128 HydrophobicContact CG2-CD1 3.73Å; I117-I128 HydrophobicContact CG2-CG1 4.01Å; I117-I128 HydrophobicContact CG2-CG2 4.2Å; I118-I128 CarbonylContact O-C 3.49Å; I118-I128 VanDerWaalsContact O-CA 3.27Å; I118-I128 WeakPolarHBondContact O-CA 3.46Å; I118-I128 WeakPolarHBondContact O-CB 3.24Å; I128-V130 HydrophobicContact CD1-CG2 4.39Å
129	S	98.9	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.4	171.3	-67.3	0	0	0	0	110.4	I117 I118 T120 I143 V144	I117-S129 WeakPolarHBondContact CA-O 3.27Å; I118-S129 PolarHBondContact N-O 3.33Å; I118-S129 PolarHBondContact O-N 3.02Å; T120-S129 VanDerWaalsContact CG2-OG 3.28Å; T120-S129 WeakPolarHBondContact CG2-OG 3.13Å; T120-S129 PolarHBondContact OG1-N 3.18Å; T120-S129 PolarHBondContact OG1-OG 2.97Å; S129-I143 CarbonylContact C-O 3.51Å; S129-I143 WeakPolarHBondContact CA-O 3Å; S129-V144 WeakPolarHBondContact OG-CA 3.41Å
130	V	98.8	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.7	172.6	-176.8	0	0	0	0	108.7	L30 V38 I67 I115 I128 V132 I143	L30-V130 HydrophobicContact CD1-CG1 4.13Å; V38-V130 HydrophobicContact CG1-CG2 4.08Å; V38-V130 HydrophobicContact CG2-CB 4.42Å; V38-V130 HydrophobicContact CG2-CG1 4.47Å; V38-V130 HydrophobicContact CG2-CG2 4.02Å; I67-V130 HydrophobicContact CB-CG2 4.2Å; I67-V130 HydrophobicContact CD1-CG2 3.92Å; I67-V130 HydrophobicContact CG2-CG2 3.63Å; I115-V130 HydrophobicContact CG2-CG1 3.98Å; I128-V130 HydrophobicContact CD1-CG2 4.39Å; V130-V132 HydrophobicContact CG1-CG2 4.23Å; V130-I143 HydrophobicContact CB-CB 4.29Å; V130-I143 PolarHBondContact N-O 3.19Å; V130-I143 PolarHBondContact O-N 2.8Å
131	I	98.4	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.5	177.2	-54	-47.2	0	0	0	109.2	I115 H116 I118 E133 A142 F181	I115-I131 WeakPolarHBondContact CA-O 3.38Å; H116-I131 WeakPolarHBondContact CE1-CG2 3.39Å; H116-I131 PolarHBondContact N-O 3.41Å; H116-I131 WeakPolarHBondContact NE2-CB 3.4Å; H116-I131 WeakPolarHBondContact NE2-CG2 3.33Å; H116-I131 WeakPolarHBondContact O-CA 3.49Å; H116-I131 WeakPolarHBondContact O-CB 3.44Å; H116-I131 PolarHBondContact O-N 3.47Å; I118-I131 HydrophobicContact CD1-CD1 3.79Å; I118-I131 HydrophobicContact CD1-CG1 4Å; I118-I131 HydrophobicContact CG1-CD1 3.99Å; I118-I131 HydrophobicContact CG1-CG1 3.9Å; I118-I131 HydrophobicContact CG2-CG1 4.23Å; I131-E133 HydrophobicContact CG2-CG 4.48Å; I131-A142 HydrophobicContact CD1-CB 3.85Å; I131-F181 HydrophobicContact CB-CE1 4.37Å; I131-F181 HydrophobicContact CD1-CE1 3.75Å; I131-F181 HydrophobicContact CD1-CE2 3.94Å; I131-F181 HydrophobicContact CD1-CZ 3.39Å; I131-F181 HydrophobicContact CG1-CE1 4.18Å; I131-F181 HydrophobicContact CG1-CZ 3.9Å; I131-F181 HydrophobicContact CG2-CD1 4.33Å; I131-F181 HydrophobicContact CG2-CE1 3.39Å; I131-F181 HydrophobicContact CG2-CZ 3.95Å
132	V	97.8	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.6	-178.8	-168.7	0	0	0	0	108.1	I5 L30 I115 V130 I135 V141 I143	I5-V132 HydrophobicContact CD1-CB 4.4Å; I5-V132 HydrophobicContact CD1-CG1 4.24Å; I5-V132 HydrophobicContact CD1-CG2 4.4Å; L30-V132 HydrophobicContact CD1-CG2 3.8Å; L30-V132 HydrophobicContact CD2-CG2 4.06Å; I115-V132 HydrophobicContact CD1-CB 4.07Å; I115-V132 HydrophobicContact CD1-CG1 3.59Å; I115-V132 HydrophobicContact CD1-CG2 3.96Å; V130-V132 HydrophobicContact CG1-CG2 4.23Å; V132-I135 HydrophobicContact CB-CG1 4.25Å; V132-I135 HydrophobicContact CG1-CD1 3.43Å; V132-I135 VanDerWaalsContact CG1-CD1 3.43Å; V132-I135 HydrophobicContact CG1-CG1 3.4Å; V132-I135 VanDerWaalsContact CG1-CG1 3.4Å; V132-V141 HydrophobicContact CB-CB 4.28Å; V132-V141 PolarHBondContact N-O 3.07Å; V132-V141 PolarHBondContact O-N 3.23Å; V132-I143 HydrophobicContact CG2-CD1 4.13Å
133	E	96.4	Very high	95.5	Very high	37 Å²	37	35.4 Å²	35.4	17%	0.173	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.8	-177.3	-61.5	-68.3	175.7	0	0	111.5	F114 H116 I131 I135 R140	F114-E133 HydrophobicContact CD1-CB 4.45Å; F114-E133 PolarHBondContact O-N 3.16Å; H116-E133 IonicContact CE1-OE1 3.14Å; H116-E133 PolarHBondContact CE1-OE1 3.46Å; I131-E133 HydrophobicContact CG2-CG 4.48Å; E133-I135 PolarHBondContact O-N 3.36Å; E133-R140 IonicContact OE1-CZ 2.83Å; E133-R140 IonicContact OE1-NE 3.47Å; E133-R140 PolarHBondContact OE1-NE 3.36Å; E133-R140 IonicContact OE1-NH2 2.79Å; E133-R140 PolarHBondContact OE1-NH2 3.13Å; E133-R140 WeakPolarHBondContact OE2-CD 3.46Å; E133-R140 VanDerWaalsContact OE2-CG 3.3Å; E133-R140 WeakPolarHBondContact OE2-CG 3.45Å; E133-R140 IonicContact OE2-CZ 3.38Å; E133-R140 IonicContact OE2-NE 3.73Å; E133-R140 PolarHBondContact OE2-NE 3.05Å; E133-R140 IonicContact OE2-NH2 3.9Å
134	D	92.7	Very high	95.5	Very high	78 Å²	78	35.1 Å²	35.1	42%	0.417	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	46.5	165.1	-167.3	20.2	0	0	0	115.4	K2 F114 G139	K2-D134 WeakPolarHBondContact CE-OD2 3.34Å; K2-D134 PolarHBondContact NZ-O 3.28Å; K2-D134 IonicContact NZ-OD1 2.81Å; K2-D134 PolarHBondContact NZ-OD1 3.49Å; K2-D134 IonicContact NZ-OD2 3.61Å; K2-D134 PolarHBondContact NZ-OD2 2.87Å; F114-D134 HydrophobicContact CD1-CB 4.47Å; F114-D134 HydrophobicContact CE1-CB 4.36Å; D134-G139 PolarHBondContact N-O 3.04Å
135	I	91.3	Very high	95.6	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.2	172.4	-64.5	-64.4	0	0	0	110.3	Y3 I5 V132 E133 Q137 F138 G139 V141	Y3-I135 WeakPolarHBondContact O-CD1 3.16Å; I5-I135 HydrophobicContact CD1-CD1 4.42Å; I5-I135 HydrophobicContact CD1-CG1 4.01Å; I5-I135 HydrophobicContact CG1-CD1 3.96Å; I5-I135 HydrophobicContact CG1-CG1 4.08Å; I5-I135 HydrophobicContact CG1-CG2 4.34Å; V132-I135 HydrophobicContact CB-CG1 4.25Å; V132-I135 HydrophobicContact CG1-CD1 3.43Å; V132-I135 VanDerWaalsContact CG1-CD1 3.43Å; V132-I135 HydrophobicContact CG1-CG1 3.4Å; V132-I135 VanDerWaalsContact CG1-CG1 3.4Å; E133-I135 PolarHBondContact O-N 3.36Å; I135-Q137 PolarHBondContact O-N 2.82Å; I135-F138 HydrophobicContact CB-CB 4.12Å; I135-F138 HydrophobicContact CG2-CB 3.86Å; I135-F138 HydrophobicContact CG2-CD2 3.62Å; I135-F138 HydrophobicContact CG2-CG 4.15Å; I135-F138 PolarHBondContact O-N 3.34Å; I135-F138 VanDerWaalsContact O-N 3.09Å; I135-G139 PolarHBondContact N-O 2.9Å; I135-G139 PolarHBondContact O-N 3.21Å; I135-V141 HydrophobicContact CB-CG2 4.2Å; I135-V141 HydrophobicContact CG1-CG2 4.23Å
136	D	87.2	Confident	95.7	Very high	109 Å²	109	30 Å²	30	58%	0.583	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132.8	176.5	-66.5	-22.4	0	0	0	110.7	K2 F138	K2-D136 IonicContact NZ-OD1 2.81Å; K2-D136 PolarHBondContact NZ-OD1 2.81Å; D136-F138 WeakPolarHBondContact O-CD2 3.47Å; D136-F138 PolarHBondContact O-N 2.75Å; D136-F138 VanDerWaalsContact O-N 3.1Å
137	Q	84.2	Confident	95.8	Very high	185 Å²	185	28.5 Å²	28.5	86%	0.864	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	-21.1	-175.4	-47.6	176.4	9.9	0	0	116.4	I135	I135-Q137 PolarHBondContact O-N 2.82Å
138	F	87.5	Confident	95.7	Very high	56 Å²	56	28.3 Å²	28.3	25%	0.246	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-25.4	-177.8	-65.9	-84.6	0	0	0	113.9	F7 I135 D136 V141 D182 Y183	F7-F138 HydrophobicContact CE2-CZ 4.45Å; I135-F138 HydrophobicContact CB-CB 4.12Å; I135-F138 HydrophobicContact CG2-CB 3.86Å; I135-F138 HydrophobicContact CG2-CD2 3.62Å; I135-F138 HydrophobicContact CG2-CG 4.15Å; I135-F138 PolarHBondContact O-N 3.34Å; I135-F138 VanDerWaalsContact O-N 3.09Å; D136-F138 WeakPolarHBondContact O-CD2 3.47Å; D136-F138 PolarHBondContact O-N 2.75Å; D136-F138 VanDerWaalsContact O-N 3.1Å; F138-V141 HydrophobicContact CB-CG2 3.52Å; F138-V141 HydrophobicContact CG-CG2 4.36Å; F138-D182 WeakPolarHBondContact O-CB 3.38Å; F138-Y183 HydrophobicContact CB-CD2 4.16Å; F138-Y183 HydrophobicContact CB-CG 4.38Å; F138-Y183 AromaticContact CD1-CD1 3.55Å; F138-Y183 HydrophobicContact CD1-CD1 3.55Å; F138-Y183 AromaticContact CD1-CD2 3.96Å; F138-Y183 HydrophobicContact CD1-CD2 3.96Å; F138-Y183 AromaticContact CD1-CE1 3.68Å; F138-Y183 HydrophobicContact CD1-CE1 3.68Å; F138-Y183 HydrophobicContact CD1-CE2 4.07Å; F138-Y183 AromaticContact CD1-CG 3.68Å; F138-Y183 HydrophobicContact CD1-CG 3.68Å; F138-Y183 AromaticContact CD1-CZ 3.93Å; F138-Y183 AromaticContact CE1-CD1 3.99Å; F138-Y183 HydrophobicContact CE1-CD1 3.99Å; F138-Y183 AromaticContact CE1-CE1 3.87Å; F138-Y183 HydrophobicContact CE1-CE1 3.87Å; F138-Y183 WeakPolarHBondContact O-CD2 3.38Å
139	G	93.6	Very high	95.7	Very high	25 Å²	25	29.3 Å²	29.3	26%	0.258	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.1	-132.4	-173.6	0	0	0	0	0	111.4	D134 I135	D134-G139 PolarHBondContact N-O 3.04Å; I135-G139 PolarHBondContact N-O 2.9Å; I135-G139 PolarHBondContact O-N 3.21Å
140	R	96.6	Very high	95.6	Very high	81 Å²	81	30.5 Å²	30.5	31%	0.306	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	176	-52.3	-177.3	67.7	-151.2	3.8	110.2	E133 N180 F181 D182 Y183	E133-R140 IonicContact OE1-CZ 2.83Å; E133-R140 IonicContact OE1-NE 3.47Å; E133-R140 PolarHBondContact OE1-NE 3.36Å; E133-R140 IonicContact OE1-NH2 2.79Å; E133-R140 PolarHBondContact OE1-NH2 3.13Å; E133-R140 WeakPolarHBondContact OE2-CD 3.46Å; E133-R140 VanDerWaalsContact OE2-CG 3.3Å; E133-R140 WeakPolarHBondContact OE2-CG 3.45Å; E133-R140 IonicContact OE2-CZ 3.38Å; E133-R140 IonicContact OE2-NE 3.73Å; E133-R140 PolarHBondContact OE2-NE 3.05Å; E133-R140 IonicContact OE2-NH2 3.9Å; R140-N180 PolarHBondContact NH1-O 2.61Å; R140-F181 HydrophobicContact CB-CD1 3.89Å; R140-D182 PolarHBondContact N-OD2 3.48Å; R140-D182 PolarHBondContact O-N 3.25Å; R140-Y183 PolarHBondContact O-N 3.13Å
141	V	98.1	Very high	95.5	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135	-177.4	-173.5	0	0	0	0	110.3	I5 V132 I135 F138 Y183 V185	I5-V141 HydrophobicContact CD1-CB 4.1Å; I5-V141 HydrophobicContact CD1-CG1 3.92Å; I5-V141 HydrophobicContact CD1-CG2 4.11Å; V132-V141 HydrophobicContact CB-CB 4.28Å; V132-V141 PolarHBondContact N-O 3.07Å; V132-V141 PolarHBondContact O-N 3.23Å; I135-V141 HydrophobicContact CB-CG2 4.2Å; I135-V141 HydrophobicContact CG1-CG2 4.23Å; F138-V141 HydrophobicContact CB-CG2 3.52Å; F138-V141 HydrophobicContact CG-CG2 4.36Å; V141-Y183 WeakPolarHBondContact CA-O 3.26Å; V141-V185 HydrophobicContact CG1-CG2 3.66Å
142	A	98.6	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	167.3	0	0	0	0	0	109.8	I131 V144 I177 F181 Y183 I184 V185	I131-A142 HydrophobicContact CD1-CB 3.85Å; A142-V144 HydrophobicContact CB-CG1 3.56Å; A142-I177 HydrophobicContact CB-CD1 4.05Å; A142-I177 HydrophobicContact CB-CG2 4.03Å; A142-F181 HydrophobicContact CB-CB 4.25Å; A142-F181 HydrophobicContact CB-CD1 4.22Å; A142-F181 HydrophobicContact CB-CD2 3.88Å; A142-F181 HydrophobicContact CB-CE2 4.37Å; A142-F181 HydrophobicContact CB-CG 3.82Å; A142-Y183 PolarHBondContact N-O 3.12Å; A142-I184 CarbonylContact O-C 3.53Å; A142-I184 WeakPolarHBondContact O-CA 3.47Å; A142-V185 PolarHBondContact O-N 3.07Å
143	I	98.8	Very high	95.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.3	169	-51	171.4	0	0	0	107.3	L30 V38 S129 V130 V132 V185	L30-I143 HydrophobicContact CD1-CD1 4.39Å; L30-I143 HydrophobicContact CD2-CD1 3.95Å; L30-I143 HydrophobicContact CG-CD1 4.49Å; V38-I143 HydrophobicContact CB-CG2 4.34Å; V38-I143 HydrophobicContact CG1-CG2 3.76Å; V38-I143 HydrophobicContact CG2-CD1 4.17Å; S129-I143 CarbonylContact C-O 3.51Å; S129-I143 WeakPolarHBondContact CA-O 3Å; V130-I143 HydrophobicContact CB-CB 4.29Å; V130-I143 PolarHBondContact N-O 3.19Å; V130-I143 PolarHBondContact O-N 2.8Å; V132-I143 HydrophobicContact CG2-CD1 4.13Å; I143-V185 HydrophobicContact CB-CB 4.22Å; I143-V185 HydrophobicContact CG1-CB 3.96Å; I143-V185 HydrophobicContact CG1-CG2 3.95Å; I143-V185 HydrophobicContact CG2-CB 4.12Å; I143-V185 HydrophobicContact CG2-CG1 4.14Å
144	V	98.8	Very high	95.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	1.3	-156.2	-57.3	0	0	0	0	114.6	S129 A142 D146 L147 F148 I177 I184 V185	S129-V144 WeakPolarHBondContact OG-CA 3.41Å; A142-V144 HydrophobicContact CB-CG1 3.56Å; V144-D146 PolarHBondContact O-N 2.78Å; V144-L147 HydrophobicContact CB-CB 3.95Å; V144-L147 HydrophobicContact CB-CD2 4.06Å; V144-L147 HydrophobicContact CG1-CD2 4.32Å; V144-L147 HydrophobicContact CG2-CB 4.16Å; V144-L147 VanDerWaalsContact O-CB 3.29Å; V144-L147 WeakPolarHBondContact O-CB 3.16Å; V144-L147 PolarHBondContact O-N 2.81Å; V144-F148 HydrophobicContact CG2-CB 4.1Å; V144-F148 HydrophobicContact CG2-CD2 3.79Å; V144-F148 HydrophobicContact CG2-CG 4.41Å; V144-I177 HydrophobicContact CG1-CD1 4.29Å; V144-I177 HydrophobicContact CG1-CG1 4.22Å; V144-I177 HydrophobicContact CG1-CG2 4.15Å; V144-I184 HydrophobicContact CG1-CG2 4.29Å; V144-I184 HydrophobicContact CG2-CG2 3.65Å; V144-V185 PolarHBondContact N-O 3.23Å; V144-V185 VanDerWaalsContact N-O 3.12Å
145	G	98.6	Very high	95.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	-137.9	-171.2	0	0	0	0	0	110.2	T69 L147 G187	T69-G145 WeakPolarHBondContact OG1-CA 3.41Å; G145-L147 PolarHBondContact O-N 3.35Å; G145-G187 PolarHBondContact O-N 3.06Å
146	D	98.5	Very high	95.3	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	10.7	-174.6	-64.1	-0.6	0	0	0	113.6	H70 H75 H123 V144 F148 Q170 G187 H188	H70-D146 VanDerWaalsContact CE1-CG 3.49Å; H70-D146 IonicContact CE1-OD1 3.78Å; H70-D146 IonicContact CE1-OD2 3.96Å; H70-D146 PolarHBondContact CE1-OD2 2.82Å; H70-D146 VanDerWaalsContact CE1-OD2 3.31Å; H70-D146 IonicContact NE2-OD2 2.86Å; H70-D146 PolarHBondContact NE2-OD2 2.89Å; H75-D146 IonicContact CE1-OD1 3.38Å; H75-D146 PolarHBondContact CE1-OD1 3.21Å; H75-D146 IonicContact NE2-OD1 2.85Å; H75-D146 PolarHBondContact NE2-OD1 2.89Å; H75-D146 IonicContact NE2-OD2 3.89Å; H123-D146 HydrophobicContact CB-CB 4.35Å; H123-D146 WeakPolarHBondContact CD2-CB 3.41Å; H123-D146 IonicContact CD2-OD2 3.53Å; H123-D146 VanDerWaalsContact CE1-CB 3.5Å; H123-D146 WeakPolarHBondContact CE1-CB 3.23Å; H123-D146 IonicContact CE1-OD2 2.82Å; H123-D146 PolarHBondContact CE1-OD2 2.94Å; H123-D146 WeakPolarHBondContact NE2-CB 3.44Å; H123-D146 IonicContact NE2-OD2 3.36Å; H123-D146 PolarHBondContact NE2-OD2 3.22Å; V144-D146 PolarHBondContact O-N 2.78Å; D146-F148 PolarHBondContact O-N 3.45Å; D146-Q170 PolarHBondContact O-NE2 2.86Å; D146-G187 WeakPolarHBondContact OD1-CA 3.37Å; D146-H188 IonicContact OD1-CD2 3.51Å; D146-H188 PolarHBondContact OD1-CD2 3.38Å; D146-H188 IonicContact OD1-NE2 3.93Å; D146-H188 PolarHBondContact OD1-NE2 3.1Å; D146-H188 IonicContact OD2-NE2 2.81Å
147	L	98.6	Very high	95.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.1	163.5	179.4	66.8	0	0	0	110	T120 V144 G145 Q170 S173 R174 I177	T120-L147 HydrophobicContact CG2-CD2 4.22Å; V144-L147 HydrophobicContact CB-CB 3.95Å; V144-L147 HydrophobicContact CB-CD2 4.06Å; V144-L147 HydrophobicContact CG1-CD2 4.32Å; V144-L147 HydrophobicContact CG2-CB 4.16Å; V144-L147 VanDerWaalsContact O-CB 3.29Å; V144-L147 WeakPolarHBondContact O-CB 3.16Å; V144-L147 PolarHBondContact O-N 2.81Å; G145-L147 PolarHBondContact O-N 3.35Å; L147-Q170 HydrophobicContact CD1-CG 3.79Å; L147-Q170 PolarHBondContact O-NE2 2.99Å; L147-S173 VanDerWaalsContact CD1-CB 3.43Å; L147-R174 HydrophobicContact CD1-CG 3.77Å; L147-R174 HydrophobicContact CG-CG 3.94Å; L147-R174 WeakPolarHBondContact O-CG 3.37Å; L147-R174 PolarHBondContact O-NH1 2.92Å; L147-I177 HydrophobicContact CD2-CB 4.39Å; L147-I177 HydrophobicContact CD2-CG1 3.52Å
148	F	98.3	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-121.2	123.2	164.8	-68.2	-98.1	0	0	0	109.5	V144 D146 D153 T154 R174 I177 I178 I184 P186 G187 F192	V144-F148 HydrophobicContact CG2-CB 4.1Å; V144-F148 HydrophobicContact CG2-CD2 3.79Å; V144-F148 HydrophobicContact CG2-CG 4.41Å; D146-F148 PolarHBondContact O-N 3.45Å; F148-D153 WeakPolarHBondContact CA-OD2 3.46Å; F148-D153 WeakPolarHBondContact CD1-OD1 3.42Å; F148-T154 HydrophobicContact CD1-CG2 4.06Å; F148-T154 HydrophobicContact CE1-CG2 3.96Å; F148-R174 HydrophobicContact CD2-CG 4.32Å; F148-R174 HydrophobicContact CE1-CB 4.23Å; F148-R174 HydrophobicContact CE1-CG 4.14Å; F148-R174 HydrophobicContact CE2-CB 3.99Å; F148-R174 HydrophobicContact CE2-CG 3.81Å; F148-R174 HydrophobicContact CZ-CB 3.55Å; F148-R174 HydrophobicContact CZ-CG 3.69Å; F148-I177 HydrophobicContact CE2-CB 4.09Å; F148-I177 HydrophobicContact CE2-CG2 3.99Å; F148-I178 HydrophobicContact CE1-CD1 3.82Å; F148-I178 HydrophobicContact CE1-CG1 4.23Å; F148-I178 HydrophobicContact CZ-CD1 3.75Å; F148-I178 HydrophobicContact CZ-CG1 3.77Å; F148-I184 HydrophobicContact CB-CG2 4.34Å; F148-I184 HydrophobicContact CD2-CD1 4.49Å; F148-I184 HydrophobicContact CD2-CG2 4.02Å; F148-I184 HydrophobicContact CE1-CD1 4.43Å; F148-I184 HydrophobicContact CE2-CD1 4.09Å; F148-I184 HydrophobicContact CG-CG2 4.18Å; F148-I184 HydrophobicContact CZ-CD1 4.08Å; F148-P186 HydrophobicContact CB-CB 3.96Å; F148-P186 WeakPolarHBondContact O-CA 3.2Å; F148-P186 WeakPolarHBondContact O-CB 3.31Å; F148-G187 PolarHBondContact O-N 3.33Å; F148-F192 HydrophobicContact CD1-CZ 4.02Å; F148-F192 HydrophobicContact CG-CZ 4.35Å
149	E	97.3	Very high	96.4	Very high	20 Å²	20	38 Å²	38	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	-66.7	-51.2	173.7	-175	74	-168.6	0	0	109.5	T13 D153 H188 G189	T13-E149 WeakPolarHBondContact CB-OE1 3.45Å; T13-E149 PolarHBondContact OG1-OE1 3.16Å; E149-D153 HydrophobicContact CB-CB 4.28Å; E149-D153 PolarHBondContact N-OD2 3.29Å; E149-H188 VanDerWaalsContact CD-CD2 3.41Å; E149-H188 HydrophobicContact CG-CB 4.18Å; E149-H188 CarbonylContact O-C 3.58Å; E149-H188 WeakPolarHBondContact O-CA 3.45Å; E149-H188 WeakPolarHBondContact O-CB 3.41Å; E149-H188 PolarHBondContact O-N 3.24Å; E149-H188 WeakPolarHBondContact OE1-CB 3.19Å; E149-H188 IonicContact OE1-CD2 2.73Å; E149-H188 PolarHBondContact OE1-CD2 2.51Å; E149-H188 IonicContact OE1-CG 3.33Å; E149-H188 IonicContact OE2-CD2 3.15Å; E149-H188 PolarHBondContact OE2-CD2 3.34Å; E149-G189 PolarHBondContact O-N 3.44Å
150	C	96.9	Very high	96.6	Very high	25 Å²	25	37 Å²	37	17%	0.169	20%	0.195	C	C	.	.			trans	-166.1	169.2	-179.1	63.7	0	0	0	0	110	Q152 D153	C150-Q152 PolarHBondContact O-N 2.77Å; C150-Q152 VanDerWaalsContact O-N 3.12Å; C150-D153 WeakPolarHBondContact O-CB 3.32Å; C150-D153 PolarHBondContact O-N 3.47Å
151	E	96.7	Very high	96.6	Very high	94 Å²	94	36.7 Å²	36.7	44%	0.439	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-54.3	-36	178.8	-175.1	174.5	-156.8	0	0	113.5	D153 T154 F192	E151-D153 PolarHBondContact O-N 2.87Å; E151-T154 WeakPolarHBondContact O-CB 3.28Å; E151-T154 WeakPolarHBondContact O-CG2 3.49Å; E151-T154 PolarHBondContact O-N 2.84Å; E151-T154 VanDerWaalsContact O-N 3.14Å; E151-T154 PolarHBondContact O-OG1 3.01Å; E151-F192 HydrophobicContact CB-CB 3.87Å; E151-F192 HydrophobicContact CB-CD1 3.7Å; E151-F192 HydrophobicContact CB-CD2 4.13Å; E151-F192 HydrophobicContact CB-CE1 4.22Å; E151-F192 HydrophobicContact CB-CG 3.64Å; E151-F192 HydrophobicContact CG-CB 3.84Å; E151-F192 HydrophobicContact CG-CD1 4.3Å; E151-F192 HydrophobicContact CG-CD2 3.8Å; E151-F192 HydrophobicContact CG-CE2 4.41Å; E151-F192 HydrophobicContact CG-CG 3.73Å
152	Q	95.1	Very high	96.3	Very high	111 Å²	111	41.5 Å²	41.5	52%	0.519	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-62.6	-26.3	-178.1	-171.6	64.1	24.7	0	0	112.7	C150 T154 I155 D156 L159	C150-Q152 PolarHBondContact O-N 2.77Å; C150-Q152 VanDerWaalsContact O-N 3.12Å; Q152-T154 PolarHBondContact O-N 3.1Å; Q152-I155 PolarHBondContact O-N 2.86Å; Q152-I155 VanDerWaalsContact O-N 3.08Å; Q152-D156 PolarHBondContact O-N 2.94Å; Q152-D156 VanDerWaalsContact O-N 3.07Å; Q152-L159 HydrophobicContact CB-CD1 4.08Å; Q152-L159 HydrophobicContact CG-CD1 3.81Å
153	D	95.5	Very high	96	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.3	-179.4	87.8	-5.6	0	0	0	113	F148 E149 C150 E151 L159 R174	F148-D153 WeakPolarHBondContact CA-OD2 3.46Å; F148-D153 WeakPolarHBondContact CD1-OD1 3.42Å; E149-D153 HydrophobicContact CB-CB 4.28Å; E149-D153 PolarHBondContact N-OD2 3.29Å; C150-D153 WeakPolarHBondContact O-CB 3.32Å; C150-D153 PolarHBondContact O-N 3.47Å; E151-D153 PolarHBondContact O-N 2.87Å; D153-L159 HydrophobicContact CB-CB 4.01Å; D153-L159 HydrophobicContact CB-CD1 4.37Å; D153-R174 VanDerWaalsContact CG-NH2 3.25Å; D153-R174 PolarHBondContact O-NH2 3.19Å; D153-R174 VanDerWaalsContact O-NH2 3.07Å; D153-R174 IonicContact OD1-CZ 3.67Å; D153-R174 IonicContact OD1-NH1 3.16Å; D153-R174 PolarHBondContact OD1-NH1 3.28Å; D153-R174 IonicContact OD1-NH2 3.34Å; D153-R174 PolarHBondContact OD1-NH2 2.75Å; D153-R174 IonicContact OD2-CZ 3.42Å; D153-R174 IonicContact OD2-NH1 3.61Å; D153-R174 PolarHBondContact OD2-NH1 3.15Å; D153-R174 IonicContact OD2-NH2 3.38Å
154	T	94.2	Very high	96	Very high	38 Å²	38	45 Å²	45	23%	0.233	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-74	-19.8	172.7	67	0	0	0	0	112	F148 E151 Q152 F192	F148-T154 HydrophobicContact CD1-CG2 4.06Å; F148-T154 HydrophobicContact CE1-CG2 3.96Å; E151-T154 WeakPolarHBondContact O-CB 3.28Å; E151-T154 WeakPolarHBondContact O-CG2 3.49Å; E151-T154 PolarHBondContact O-N 2.84Å; E151-T154 VanDerWaalsContact O-N 3.14Å; E151-T154 PolarHBondContact O-OG1 3.01Å; Q152-T154 PolarHBondContact O-N 3.1Å; T154-F192 HydrophobicContact CG2-CE2 4.07Å; T154-F192 HydrophobicContact CG2-CZ 4.16Å
155	I	93	Very high	95.9	Very high	127 Å²	127	50 Å²	50	65%	0.651	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-37.1	-179.6	-56.9	171.7	0	0	0	110.5	Q152 P157	Q152-I155 PolarHBondContact O-N 2.86Å; Q152-I155 VanDerWaalsContact O-N 3.08Å; I155-P157 WeakPolarHBondContact O-CD 3.23Å
156	D	94.7	Very high	95.9	Very high	63 Å²	63	52.5 Å²	52.5	34%	0.337	30%	0.295	S	S	.	.			trans	-115.9	94.7	-179.5	-175.2	-1.2	0	0	0	111.4	Q152 S158 L159	Q152-D156 PolarHBondContact O-N 2.94Å; Q152-D156 VanDerWaalsContact O-N 3.07Å; D156-S158 VanDerWaalsContact CG-OG 3.25Å; D156-S158 PolarHBondContact O-N 3.42Å; D156-S158 VanDerWaalsContact O-N 3.13Å; D156-S158 VanDerWaalsContact OD1-CB 3.28Å; D156-S158 WeakPolarHBondContact OD1-CB 3.36Å; D156-S158 PolarHBondContact OD1-N 3.04Å; D156-S158 PolarHBondContact OD1-OG 3Å; D156-S158 PolarHBondContact OD2-OG 3.37Å; D156-L159 HydrophobicContact CB-CD1 4.08Å; D156-L159 HydrophobicContact CB-CG 4.12Å; D156-L159 WeakPolarHBondContact O-CB 3.29Å; D156-L159 PolarHBondContact O-N 2.89Å
157	P	94.9	Very high	95.9	Very high	57 Å²	57	55.5 Å²	55.5	37%	0.37	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.1	179.9	-23.2	33.5	0	0	0	114.4	I155 L159 W160 H161	I155-P157 WeakPolarHBondContact O-CD 3.23Å; P157-L159 PolarHBondContact O-N 3.14Å; P157-W160 PolarHBondContact O-N 3.47Å; P157-H161 WeakPolarHBondContact O-CB 3.26Å; P157-H161 PolarHBondContact O-CD2 2.88Å; P157-H161 VanDerWaalsContact O-CG 3.29Å; P157-H161 PolarHBondContact O-N 3.34Å
158	S	94.4	Very high	95.8	Very high	71 Å²	71	59.4 Å²	59.4	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-23	179.4	75.2	0	0	0	0	112.6	D156 W160	D156-S158 VanDerWaalsContact CG-OG 3.25Å; D156-S158 PolarHBondContact O-N 3.42Å; D156-S158 VanDerWaalsContact O-N 3.13Å; D156-S158 VanDerWaalsContact OD1-CB 3.28Å; D156-S158 WeakPolarHBondContact OD1-CB 3.36Å; D156-S158 PolarHBondContact OD1-N 3.04Å; D156-S158 PolarHBondContact OD1-OG 3Å; D156-S158 PolarHBondContact OD2-OG 3.37Å; S158-W160 VanDerWaalsContact C-N 3.34Å; S158-W160 PolarHBondContact O-N 2.61Å
159	L	93.9	Very high	95.9	Very high	68 Å²	68	62.3 Å²	62.3	36%	0.356	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-27.8	179.4	-63.1	-180	0	0	0	113.5	Q152 D153 D156 P157	Q152-L159 HydrophobicContact CB-CD1 4.08Å; Q152-L159 HydrophobicContact CG-CD1 3.81Å; D153-L159 HydrophobicContact CB-CB 4.01Å; D153-L159 HydrophobicContact CB-CD1 4.37Å; D156-L159 HydrophobicContact CB-CD1 4.08Å; D156-L159 HydrophobicContact CB-CG 4.12Å; D156-L159 WeakPolarHBondContact O-CB 3.29Å; D156-L159 PolarHBondContact O-N 2.89Å; P157-L159 PolarHBondContact O-N 3.14Å
160	W	96.3	Very high	95.9	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-115.1	-24.1	-178.5	69.6	-94.7	0	0	0	113	P157 S158 S162 S163 S164 I167 Q170 Q171	P157-W160 PolarHBondContact O-N 3.47Å; S158-W160 VanDerWaalsContact C-N 3.34Å; S158-W160 PolarHBondContact O-N 2.61Å; W160-S162 VanDerWaalsContact C-N 3.26Å; W160-S162 PolarHBondContact O-N 3.11Å; W160-S163 PolarHBondContact O-N 3.22Å; W160-S163 VanDerWaalsContact O-N 3.12Å; W160-S164 PolarHBondContact O-N 3.19Å; W160-S164 VanDerWaalsContact O-N 3.13Å; W160-I167 HydrophobicContact CH2-CG2 3.82Å; W160-I167 HydrophobicContact CZ3-CB 4.41Å; W160-I167 HydrophobicContact CZ3-CG1 4.44Å; W160-I167 HydrophobicContact CZ3-CG2 4.17Å; W160-Q170 HydrophobicContact CE3-CB 4.35Å; W160-Q170 VanDerWaalsContact CE3-CD 3.41Å; W160-Q170 HydrophobicContact CE3-CG 4.05Å; W160-Q170 HydrophobicContact CH2-CB 4.31Å; W160-Q170 HydrophobicContact CZ3-CB 3.66Å; W160-Q170 HydrophobicContact CZ3-CG 3.85Å; W160-Q171 HydrophobicContact CH2-CB 4.18Å
161	H	96.9	Very high	96	Very high	74 Å²	74	62 Å²	62	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-56.5	-36.9	178	-85.3	-164.2	0	0	0	113.4	P157 S163 S164 I167	P157-H161 WeakPolarHBondContact O-CB 3.26Å; P157-H161 PolarHBondContact O-CD2 2.88Å; P157-H161 VanDerWaalsContact O-CG 3.29Å; P157-H161 PolarHBondContact O-N 3.34Å; H161-S163 VanDerWaalsContact C-N 3.28Å; H161-S163 PolarHBondContact O-N 3.36Å; H161-S164 PolarHBondContact O-N 3.16Å; H161-I167 HydrophobicContact CB-CD1 4.08Å; H161-I167 WeakPolarHBondContact NE2-CG2 3.4Å
162	S	91.3	Very high	96	Very high	103 Å²	103	64.4 Å²	64.4	72%	0.72	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.8	-178.6	55.4	0	0	0	0	113.8	W160	W160-S162 VanDerWaalsContact C-N 3.26Å; W160-S162 PolarHBondContact O-N 3.11Å
163	S	93.4	Very high	96.2	Very high	57 Å²	57	59.7 Å²	59.7	40%	0.399	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.8	-178.7	-53	0	0	0	0	112.3	H123 W160 H161	H123-S163 PolarHBondContact ND1-O 3.31Å; W160-S163 PolarHBondContact O-N 3.22Å; W160-S163 VanDerWaalsContact O-N 3.12Å; H161-S163 VanDerWaalsContact C-N 3.28Å; H161-S163 PolarHBondContact O-N 3.36Å
164	S	97.8	Very high	96.3	Very high	21 Å²	21	59.8 Å²	59.8	15%	0.147	34%	0.337	C	S	.	.			trans	-73.4	127.6	-177.9	-169	0	0	0	0	112.9	G122 W160 H161 N166 I167 Q170	G122-S164 PolarHBondContact O-OG 3.18Å; W160-S164 PolarHBondContact O-N 3.19Å; W160-S164 VanDerWaalsContact O-N 3.13Å; H161-S164 PolarHBondContact O-N 3.16Å; S164-N166 PolarHBondContact OG-N 3.49Å; S164-N166 PolarHBondContact OG-O 2.99Å; S164-I167 WeakPolarHBondContact OG-CA 3.43Å; S164-I167 PolarHBondContact OG-N 2.86Å; S164-I167 VanDerWaalsContact OG-N 3.1Å; S164-Q170 PolarHBondContact OG-OE1 3.15Å
165	N	97.9	Very high	96.4	Very high	106 Å²	106	61.3 Å²	61.3	57%	0.567	34%	0.342	S	S	*	.	S	Bend	trans	-68.2	-39.8	165.3	-170.2	-89.9	0	0	0	111.8	G122 H123 L125	G122-N165 PolarHBondContact O-N 3.36Å; G122-N165 VanDerWaalsContact O-N 3.15Å; H123-N165 WeakPolarHBondContact O-CB 3.47Å; H123-N165 PolarHBondContact O-N 3.45Å; L125-N165 WeakPolarHBondContact CD2-OD1 3.37Å; L125-N165 WeakPolarHBondContact CG-OD1 3.05Å
166	N	98.3	Very high	96.6	Very high	55 Å²	55	60.2 Å²	60.2	29%	0.294	33%	0.332	S	S	.	.			trans	-144.5	99.3	177.5	-169.6	-41.8	0	0	0	112	G122 L125 S164 S168 I169 Q170	G122-N166 PolarHBondContact O-N 3.38Å; L125-N166 HydrophobicContact CD2-CB 4.47Å; S164-N166 PolarHBondContact OG-N 3.49Å; S164-N166 PolarHBondContact OG-O 2.99Å; N166-S168 VanDerWaalsContact C-N 3.26Å; N166-S168 PolarHBondContact O-N 3.38Å; N166-S168 PolarHBondContact OD1-N 3.5Å; N166-S168 VanDerWaalsContact OD1-N 3.15Å; N166-I169 HydrophobicContact CB-CB 4.13Å; N166-I169 HydrophobicContact CB-CD1 4.12Å; N166-I169 HydrophobicContact CB-CG1 4.22Å; N166-I169 WeakPolarHBondContact ND2-CD1 3.43Å; N166-I169 PolarHBondContact O-N 3.12Å; N166-I169 VanDerWaalsContact O-N 3.11Å; N166-I169 PolarHBondContact OD1-N 3.4Å; N166-I169 VanDerWaalsContact OD1-N 3.12Å; N166-Q170 WeakPolarHBondContact O-CB 3.16Å; N166-Q170 PolarHBondContact O-N 3.19Å
167	I	98.1	Very high	96.8	Very high	70 Å²	70	57.2 Å²	57.2	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-53.6	-42.7	-177.5	-66.1	171.8	0	0	0	112	W160 H161 S164 Q171	W160-I167 HydrophobicContact CH2-CG2 3.82Å; W160-I167 HydrophobicContact CZ3-CB 4.41Å; W160-I167 HydrophobicContact CZ3-CG1 4.44Å; W160-I167 HydrophobicContact CZ3-CG2 4.17Å; H161-I167 HydrophobicContact CB-CD1 4.08Å; H161-I167 WeakPolarHBondContact NE2-CG2 3.4Å; S164-I167 WeakPolarHBondContact OG-CA 3.43Å; S164-I167 PolarHBondContact OG-N 2.86Å; S164-I167 VanDerWaalsContact OG-N 3.1Å; I167-Q171 WeakPolarHBondContact O-CB 3.5Å; I167-Q171 PolarHBondContact O-N 3.48Å
168	S	98.1	Very high	96.9	Very high	83 Å²	83	54.8 Å²	54.8	58%	0.58	30%	0.3	S	S	*	.	H	α-helix	trans	-71.2	-33.4	-176.1	-64.9	0	0	0	0	112.8	N166 K172	N166-S168 VanDerWaalsContact C-N 3.26Å; N166-S168 PolarHBondContact O-N 3.38Å; N166-S168 PolarHBondContact OD1-N 3.5Å; N166-S168 VanDerWaalsContact OD1-N 3.15Å; S168-K172 WeakPolarHBondContact O-CG 3.33Å; S168-K172 PolarHBondContact O-N 3Å
169	I	98.3	Very high	96.9	Very high	61 Å²	61	52.7 Å²	52.7	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-76.4	-45.4	175.9	-61.7	178.3	0	0	0	109.6	P121 N166 Q171 K172 S173	P121-I169 HydrophobicContact CB-CG2 3.89Å; P121-I169 HydrophobicContact CG-CG2 3.62Å; P121-I169 WeakPolarHBondContact O-CG2 3.36Å; N166-I169 HydrophobicContact CB-CB 4.13Å; N166-I169 HydrophobicContact CB-CD1 4.12Å; N166-I169 HydrophobicContact CB-CG1 4.22Å; N166-I169 WeakPolarHBondContact ND2-CD1 3.43Å; N166-I169 PolarHBondContact O-N 3.12Å; N166-I169 VanDerWaalsContact O-N 3.11Å; N166-I169 PolarHBondContact OD1-N 3.4Å; N166-I169 VanDerWaalsContact OD1-N 3.12Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.32Å; I169-K172 PolarHBondContact O-N 3.19Å; I169-K172 VanDerWaalsContact O-N 3.16Å; I169-S173 PolarHBondContact O-N 2.78Å; I169-S173 PolarHBondContact O-OG 3.15Å
170	Q	98.6	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-42.5	177.1	-159.8	171.5	-12	0	0	111.7	G122 D146 L147 W160 S164 N166 K172 S173 R174	G122-Q170 VanDerWaalsContact CA-CB 3.47Å; D146-Q170 PolarHBondContact O-NE2 2.86Å; L147-Q170 HydrophobicContact CD1-CG 3.79Å; L147-Q170 PolarHBondContact O-NE2 2.99Å; W160-Q170 HydrophobicContact CE3-CB 4.35Å; W160-Q170 VanDerWaalsContact CE3-CD 3.41Å; W160-Q170 HydrophobicContact CE3-CG 4.05Å; W160-Q170 HydrophobicContact CH2-CB 4.31Å; W160-Q170 HydrophobicContact CZ3-CB 3.66Å; W160-Q170 HydrophobicContact CZ3-CG 3.85Å; S164-Q170 PolarHBondContact OG-OE1 3.15Å; N166-Q170 WeakPolarHBondContact O-CB 3.16Å; N166-Q170 PolarHBondContact O-N 3.19Å; Q170-K172 VanDerWaalsContact C-N 3.35Å; Q170-K172 PolarHBondContact O-N 3.11Å; Q170-S173 PolarHBondContact O-N 3.36Å; Q170-R174 HydrophobicContact CG-CG 4.44Å; Q170-R174 WeakPolarHBondContact O-CB 3.46Å; Q170-R174 VanDerWaalsContact O-CG 3.23Å; Q170-R174 WeakPolarHBondContact O-CG 3.35Å; Q170-R174 PolarHBondContact O-N 3.14Å
171	Q	97.8	Very high	97	Very high	37 Å²	37	52.7 Å²	52.7	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-45.6	176.5	-179.6	58.9	35.9	0	0	111.9	W160 I167 I169 S173 R174 E175	W160-Q171 HydrophobicContact CH2-CB 4.18Å; I167-Q171 WeakPolarHBondContact O-CB 3.5Å; I167-Q171 PolarHBondContact O-N 3.48Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.32Å; Q171-S173 PolarHBondContact O-N 3.32Å; Q171-R174 PolarHBondContact O-N 2.79Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.13Å; Q171-E175 PolarHBondContact NE2-OE1 3.12Å; Q171-E175 WeakPolarHBondContact O-CG 3.46Å; Q171-E175 PolarHBondContact O-N 2.87Å
172	K	97.8	Very high	97	Very high	145 Å²	145	52.6 Å²	52.6	63%	0.63	29%	0.292	S	S	*	.	H	α-helix	trans	-63.6	-41.6	177	-71.2	174.9	-178	179.7	0	112.1	S168 I169 Q170 E175 F176	S168-K172 WeakPolarHBondContact O-CG 3.33Å; S168-K172 PolarHBondContact O-N 3Å; I169-K172 PolarHBondContact O-N 3.19Å; I169-K172 VanDerWaalsContact O-N 3.16Å; Q170-K172 VanDerWaalsContact C-N 3.35Å; Q170-K172 PolarHBondContact O-N 3.11Å; K172-E175 PolarHBondContact O-N 2.75Å; K172-F176 WeakPolarHBondContact O-CB 3.35Å; K172-F176 PolarHBondContact O-N 3.48Å
173	S	98.2	Very high	97.3	Very high	13 Å²	13	50 Å²	50	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.7	175.6	-64.7	0	0	0	0	111.2	P121 L147 I169 Q170 Q171 F176 I177	P121-S173 WeakPolarHBondContact O-CB 3.2Å; P121-S173 PolarHBondContact O-OG 3.07Å; L147-S173 VanDerWaalsContact CD1-CB 3.43Å; I169-S173 PolarHBondContact O-N 2.78Å; I169-S173 PolarHBondContact O-OG 3.15Å; Q170-S173 PolarHBondContact O-N 3.36Å; Q171-S173 PolarHBondContact O-N 3.32Å; S173-F176 PolarHBondContact O-N 3.36Å; S173-I177 WeakPolarHBondContact O-CG1 3.3Å; S173-I177 PolarHBondContact O-N 3.26Å
174	R	98.1	Very high	97.5	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-47	175.6	-71.7	170.2	68	86.1	0.7	112	L147 F148 D153 Q170 Q171 F176 I177 I178	L147-R174 HydrophobicContact CD1-CG 3.77Å; L147-R174 HydrophobicContact CG-CG 3.94Å; L147-R174 WeakPolarHBondContact O-CG 3.37Å; L147-R174 PolarHBondContact O-NH1 2.92Å; F148-R174 HydrophobicContact CD2-CG 4.32Å; F148-R174 HydrophobicContact CE1-CB 4.23Å; F148-R174 HydrophobicContact CE1-CG 4.14Å; F148-R174 HydrophobicContact CE2-CB 3.99Å; F148-R174 HydrophobicContact CE2-CG 3.81Å; F148-R174 HydrophobicContact CZ-CB 3.55Å; F148-R174 HydrophobicContact CZ-CG 3.69Å; D153-R174 VanDerWaalsContact CG-NH2 3.25Å; D153-R174 PolarHBondContact O-NH2 3.19Å; D153-R174 VanDerWaalsContact O-NH2 3.07Å; D153-R174 IonicContact OD1-CZ 3.67Å; D153-R174 IonicContact OD1-NH1 3.16Å; D153-R174 PolarHBondContact OD1-NH1 3.28Å; D153-R174 IonicContact OD1-NH2 3.34Å; D153-R174 PolarHBondContact OD1-NH2 2.75Å; D153-R174 IonicContact OD2-CZ 3.42Å; D153-R174 IonicContact OD2-NH1 3.61Å; D153-R174 PolarHBondContact OD2-NH1 3.15Å; D153-R174 IonicContact OD2-NH2 3.38Å; Q170-R174 HydrophobicContact CG-CG 4.44Å; Q170-R174 WeakPolarHBondContact O-CB 3.46Å; Q170-R174 VanDerWaalsContact O-CG 3.23Å; Q170-R174 WeakPolarHBondContact O-CG 3.35Å; Q170-R174 PolarHBondContact O-N 3.14Å; Q171-R174 PolarHBondContact O-N 2.79Å; R174-F176 VanDerWaalsContact C-N 3.34Å; R174-F176 PolarHBondContact O-N 2.98Å; R174-I177 PolarHBondContact O-N 3.47Å; R174-I178 PolarHBondContact O-N 3.2Å
175	E	97.1	Very high	97.6	Very high	69 Å²	69	46.3 Å²	46.3	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-44	176.1	-75.4	165.5	-173.2	0	0	111.8	Q171 K172 I178 G179 W198	Q171-E175 WeakPolarHBondContact CG-OE1 3.13Å; Q171-E175 PolarHBondContact NE2-OE1 3.12Å; Q171-E175 WeakPolarHBondContact O-CG 3.46Å; Q171-E175 PolarHBondContact O-N 2.87Å; K172-E175 PolarHBondContact O-N 2.75Å; E175-I178 PolarHBondContact O-N 3.11Å; E175-G179 PolarHBondContact O-N 2.59Å; E175-W198 HydrophobicContact CG-CE3 4.2Å
176	F	97.5	Very high	97.6	Very high	104 Å²	104	41.3 Å²	41.3	46%	0.456	21%	0.214	S	C	.	.	H	α-helix	trans	-59.3	-48.1	175.9	175.8	-94.7	0	0	0	111.5	I118 K172 S173 R174 G179 N180 F181	I118-F176 HydrophobicContact CD1-CD1 4.3Å; I118-F176 HydrophobicContact CD1-CE1 3.64Å; K172-F176 WeakPolarHBondContact O-CB 3.35Å; K172-F176 PolarHBondContact O-N 3.48Å; S173-F176 PolarHBondContact O-N 3.36Å; R174-F176 VanDerWaalsContact C-N 3.34Å; R174-F176 PolarHBondContact O-N 2.98Å; F176-G179 PolarHBondContact O-N 3.33Å; F176-N180 WeakPolarHBondContact O-CB 3.34Å; F176-N180 PolarHBondContact O-N 2.95Å; F176-N180 PolarHBondContact O-ND2 3.46Å; F176-F181 HydrophobicContact CE1-CE2 4.16Å
177	I	97.8	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-50.6	179	-69.2	-56.7	0	0	0	111	I118 T120 A142 V144 L147 F148 S173 R174 G179 N180 F181 I184	I118-I177 HydrophobicContact CD1-CD1 4.02Å; T120-I177 HydrophobicContact CG2-CD1 4.14Å; T120-I177 HydrophobicContact CG2-CG1 4.39Å; A142-I177 HydrophobicContact CB-CD1 4.05Å; A142-I177 HydrophobicContact CB-CG2 4.03Å; V144-I177 HydrophobicContact CG1-CD1 4.29Å; V144-I177 HydrophobicContact CG1-CG1 4.22Å; V144-I177 HydrophobicContact CG1-CG2 4.15Å; L147-I177 HydrophobicContact CD2-CB 4.39Å; L147-I177 HydrophobicContact CD2-CG1 3.52Å; F148-I177 HydrophobicContact CE2-CB 4.09Å; F148-I177 HydrophobicContact CE2-CG2 3.99Å; S173-I177 WeakPolarHBondContact O-CG1 3.3Å; S173-I177 PolarHBondContact O-N 3.26Å; R174-I177 PolarHBondContact O-N 3.47Å; I177-G179 VanDerWaalsContact C-N 3.26Å; I177-G179 PolarHBondContact O-N 3.38Å; I177-N180 PolarHBondContact O-N 3.15Å; I177-N180 VanDerWaalsContact O-N 3.15Å; I177-F181 HydrophobicContact CB-CD2 4.36Å; I177-F181 HydrophobicContact CD1-CD2 3.79Å; I177-F181 HydrophobicContact CD1-CE2 3.55Å; I177-F181 HydrophobicContact CG2-CD2 4.1Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.3Å; I177-F181 PolarHBondContact O-N 3.06Å; I177-F181 VanDerWaalsContact O-N 3.09Å; I177-I184 HydrophobicContact CG2-CD1 3.62Å; I177-I184 HydrophobicContact CG2-CG1 3.7Å
178	I	96.4	Very high	97.6	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-36.2	179.3	-75.3	173.6	0	0	0	112	F148 R174 E175 N180 I184 V194 W198	F148-I178 HydrophobicContact CE1-CD1 3.82Å; F148-I178 HydrophobicContact CE1-CG1 4.23Å; F148-I178 HydrophobicContact CZ-CD1 3.75Å; F148-I178 HydrophobicContact CZ-CG1 3.77Å; R174-I178 PolarHBondContact O-N 3.2Å; E175-I178 PolarHBondContact O-N 3.11Å; I178-N180 VanDerWaalsContact C-N 3.29Å; I178-N180 PolarHBondContact O-N 2.8Å; I178-I184 HydrophobicContact CG1-CD1 3.96Å; I178-V194 HydrophobicContact CG2-CG1 3.98Å; I178-V194 WeakPolarHBondContact O-CG1 3.38Å; I178-W198 HydrophobicContact CG2-CG 4.34Å
179	G	95.7	Very high	97.6	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	16%	0.161	S	C	.	.	H	α-helix	trans	-67.4	-27.8	179.8	0	0	0	0	0	113.9	E175 F176 I177 K197	E175-G179 PolarHBondContact O-N 2.59Å; F176-G179 PolarHBondContact O-N 3.33Å; I177-G179 VanDerWaalsContact C-N 3.26Å; I177-G179 PolarHBondContact O-N 3.38Å; G179-K197 WeakPolarHBondContact O-CE 3.25Å; G179-K197 PolarHBondContact O-NZ 3.23Å
180	N	96.5	Very high	97.6	Very high	67 Å²	67	32.8 Å²	32.8	36%	0.358	17%	0.168	S	C	.	.	H	α-helix	trans	-117.5	-18.9	-162.7	-70.9	-79.3	0	0	0	115.4	R140 F176 I177 I178	R140-N180 PolarHBondContact NH1-O 2.61Å; F176-N180 WeakPolarHBondContact O-CB 3.34Å; F176-N180 PolarHBondContact O-N 2.95Å; F176-N180 PolarHBondContact O-ND2 3.46Å; I177-N180 PolarHBondContact O-N 3.15Å; I177-N180 VanDerWaalsContact O-N 3.15Å; I178-N180 VanDerWaalsContact C-N 3.29Å; I178-N180 PolarHBondContact O-N 2.8Å
181	F	96.4	Very high	97.6	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.022	18%	0.18	C	C	.	.			trans	-116	156.8	-174.5	-60.3	-76.5	0	0	0	112.8	I131 R140 A142 F176 I177 V194	I131-F181 HydrophobicContact CB-CE1 4.37Å; I131-F181 HydrophobicContact CD1-CE1 3.75Å; I131-F181 HydrophobicContact CD1-CE2 3.94Å; I131-F181 HydrophobicContact CD1-CZ 3.39Å; I131-F181 HydrophobicContact CG1-CE1 4.18Å; I131-F181 HydrophobicContact CG1-CZ 3.9Å; I131-F181 HydrophobicContact CG2-CD1 4.33Å; I131-F181 HydrophobicContact CG2-CE1 3.39Å; I131-F181 HydrophobicContact CG2-CZ 3.95Å; R140-F181 HydrophobicContact CB-CD1 3.89Å; A142-F181 HydrophobicContact CB-CB 4.25Å; A142-F181 HydrophobicContact CB-CD1 4.22Å; A142-F181 HydrophobicContact CB-CD2 3.88Å; A142-F181 HydrophobicContact CB-CE2 4.37Å; A142-F181 HydrophobicContact CB-CG 3.82Å; F176-F181 HydrophobicContact CE1-CE2 4.16Å; I177-F181 HydrophobicContact CB-CD2 4.36Å; I177-F181 HydrophobicContact CD1-CD2 3.79Å; I177-F181 HydrophobicContact CD1-CE2 3.55Å; I177-F181 HydrophobicContact CG2-CD2 4.1Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.3Å; I177-F181 PolarHBondContact O-N 3.06Å; I177-F181 VanDerWaalsContact O-N 3.09Å; F181-V194 WeakPolarHBondContact O-CG2 3.13Å
182	D	96.3	Very high	97.5	Very high	72 Å²	72	33 Å²	33	39%	0.385	17%	0.174	S	C	.	.	S	Bend	trans	-90.7	-34	-178.8	-61.3	-57.9	0	0	0	111.6	F138 R140 V194	F138-D182 WeakPolarHBondContact O-CB 3.38Å; R140-D182 PolarHBondContact N-OD2 3.48Å; R140-D182 PolarHBondContact O-N 3.25Å; D182-V194 PolarHBondContact O-N 3.2Å
183	Y	97.4	Very high	97.5	Very high	49 Å²	49	31.7 Å²	31.7	19%	0.192	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.4	178	-89.4	-101.5	0	0	0	111.8	F138 R140 V141 A142 F192 K193	F138-Y183 HydrophobicContact CB-CD2 4.16Å; F138-Y183 HydrophobicContact CB-CG 4.38Å; F138-Y183 AromaticContact CD1-CD1 3.55Å; F138-Y183 HydrophobicContact CD1-CD1 3.55Å; F138-Y183 AromaticContact CD1-CD2 3.96Å; F138-Y183 HydrophobicContact CD1-CD2 3.96Å; F138-Y183 AromaticContact CD1-CE1 3.68Å; F138-Y183 HydrophobicContact CD1-CE1 3.68Å; F138-Y183 HydrophobicContact CD1-CE2 4.07Å; F138-Y183 AromaticContact CD1-CG 3.68Å; F138-Y183 HydrophobicContact CD1-CG 3.68Å; F138-Y183 AromaticContact CD1-CZ 3.93Å; F138-Y183 AromaticContact CE1-CD1 3.99Å; F138-Y183 HydrophobicContact CE1-CD1 3.99Å; F138-Y183 AromaticContact CE1-CE1 3.87Å; F138-Y183 HydrophobicContact CE1-CE1 3.87Å; F138-Y183 WeakPolarHBondContact O-CD2 3.38Å; R140-Y183 PolarHBondContact O-N 3.13Å; V141-Y183 WeakPolarHBondContact CA-O 3.26Å; A142-Y183 PolarHBondContact N-O 3.12Å; Y183-F192 WeakPolarHBondContact CA-O 3.44Å; Y183-F192 VanDerWaalsContact CD1-C 3.42Å; Y183-F192 VanDerWaalsContact CD1-O 3.29Å; Y183-F192 WeakPolarHBondContact CD1-O 3.12Å; Y183-K193 HydrophobicContact CD1-CB 4.28Å; Y183-K193 HydrophobicContact CD2-CB 4.34Å; Y183-K193 HydrophobicContact CD2-CG 4.15Å; Y183-K193 HydrophobicContact CE1-CB 3.8Å; Y183-K193 HydrophobicContact CE2-CB 3.88Å; Y183-K193 HydrophobicContact CE2-CD 3.93Å; Y183-K193 HydrophobicContact CE2-CG 3.68Å
184	I	98.1	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.9	177.3	-60.7	172.5	0	0	0	108.1	A142 V144 F148 I177 I178 P186 A191 F192 V194	A142-I184 CarbonylContact O-C 3.53Å; A142-I184 WeakPolarHBondContact O-CA 3.47Å; V144-I184 HydrophobicContact CG1-CG2 4.29Å; V144-I184 HydrophobicContact CG2-CG2 3.65Å; F148-I184 HydrophobicContact CB-CG2 4.34Å; F148-I184 HydrophobicContact CD2-CD1 4.49Å; F148-I184 HydrophobicContact CD2-CG2 4.02Å; F148-I184 HydrophobicContact CE1-CD1 4.43Å; F148-I184 HydrophobicContact CE2-CD1 4.09Å; F148-I184 HydrophobicContact CG-CG2 4.18Å; F148-I184 HydrophobicContact CZ-CD1 4.08Å; I177-I184 HydrophobicContact CG2-CD1 3.62Å; I177-I184 HydrophobicContact CG2-CG1 3.7Å; I178-I184 HydrophobicContact CG1-CD1 3.96Å; I184-P186 WeakPolarHBondContact O-CD 3.38Å; I184-A191 CarbonylContact O-C 3.38Å; I184-A191 WeakPolarHBondContact O-CA 3.42Å; I184-F192 HydrophobicContact CB-CD1 4.37Å; I184-F192 HydrophobicContact CB-CD2 4.49Å; I184-F192 HydrophobicContact CB-CE1 3.84Å; I184-F192 HydrophobicContact CB-CE2 3.97Å; I184-F192 HydrophobicContact CB-CZ 3.62Å; I184-F192 HydrophobicContact CD1-CE2 3.8Å; I184-F192 HydrophobicContact CD1-CZ 3.81Å; I184-F192 HydrophobicContact CG1-CE2 4.32Å; I184-F192 HydrophobicContact CG1-CZ 4.27Å; I184-F192 HydrophobicContact CG2-CE1 3.77Å; I184-F192 HydrophobicContact CG2-CZ 3.7Å; I184-F192 PolarHBondContact N-O 2.89Å; I184-F192 PolarHBondContact O-N 3.15Å; I184-V194 HydrophobicContact CD1-CG2 3.69Å; I184-V194 HydrophobicContact CG1-CG2 3.81Å
185	V	98.6	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100.8	171.1	-176.8	0	0	0	0	107.6	F7 T26 V141 A142 I143 V144 A191	F7-V185 HydrophobicContact CD1-CG1 4.26Å; F7-V185 HydrophobicContact CE1-CB 4.3Å; F7-V185 HydrophobicContact CE1-CG1 3.63Å; F7-V185 HydrophobicContact CE1-CG2 3.64Å; F7-V185 HydrophobicContact CZ-CG2 3.84Å; T26-V185 HydrophobicContact CG2-CG1 3.59Å; V141-V185 HydrophobicContact CG1-CG2 3.66Å; A142-V185 PolarHBondContact O-N 3.07Å; I143-V185 HydrophobicContact CB-CB 4.22Å; I143-V185 HydrophobicContact CG1-CB 3.96Å; I143-V185 HydrophobicContact CG1-CG2 3.95Å; I143-V185 HydrophobicContact CG2-CB 4.12Å; I143-V185 HydrophobicContact CG2-CG1 4.14Å; V144-V185 PolarHBondContact N-O 3.23Å; V144-V185 VanDerWaalsContact N-O 3.12Å; V185-A191 HydrophobicContact CB-CB 4.49Å; V185-A191 HydrophobicContact CG2-CB 3.88Å
186	P	98.7	Very high	95.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	167.5	-176.7	34.2	-35.4	0	0	0	112.2	T26 F148 I184 G189 P190 F192	T26-P186 VanDerWaalsContact CB-O 3.27Å; T26-P186 WeakPolarHBondContact CB-O 3.42Å; T26-P186 PolarHBondContact OG1-O 3.23Å; F148-P186 HydrophobicContact CB-CB 3.96Å; F148-P186 WeakPolarHBondContact O-CA 3.2Å; F148-P186 WeakPolarHBondContact O-CB 3.31Å; I184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-G189 WeakPolarHBondContact CG-O 3.41Å; P186-P190 WeakPolarHBondContact CD-O 3.49Å; P186-P190 WeakPolarHBondContact CG-O 3.47Å; P186-F192 HydrophobicContact CB-CE1 4.14Å; P186-F192 HydrophobicContact CG-CD1 4.07Å; P186-F192 HydrophobicContact CG-CE1 3.92Å
187	G	98.6	Very high	94.1	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	-66.9	-39.9	179.3	0	0	0	0	0	113.4	C25 T26 G145 D146 F148	C25-G187 CarbonylContact C-O 3.36Å; C25-G187 VanDerWaalsContact CA-O 3.23Å; C25-G187 WeakPolarHBondContact CA-O 3.37Å; T26-G187 PolarHBondContact N-O 3.1Å; T26-G187 PolarHBondContact OG1-O 2.85Å; G145-G187 PolarHBondContact O-N 3.06Å; D146-G187 WeakPolarHBondContact OD1-CA 3.37Å; F148-G187 PolarHBondContact O-N 3.33Å
188	H	98.2	Very high	92.2	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.069	25%	0.247	C	C	.	.	S	Bend	trans	-131.4	39.5	-168.8	-62.6	-53.1	0	0	0	113.5	G11 W12 T13 S23 A24 D74 H75 D146 E149	G11-H188 VanDerWaalsContact C-C 3.45Å; G11-H188 CarbonylContact O-C 3.49Å; W12-H188 WeakPolarHBondContact CA-O 3.26Å; T13-H188 WeakPolarHBondContact OG1-CB 3.38Å; T13-H188 VanDerWaalsContact OG1-CG 3.29Å; S23-H188 PolarHBondContact OG-CE1 2.94Å; S23-H188 PolarHBondContact OG-ND1 3.17Å; S23-H188 PolarHBondContact OG-NE2 2.83Å; A24-H188 PolarHBondContact O-ND1 3.08Å; D74-H188 IonicContact OD2-CE1 3.79Å; D74-H188 PolarHBondContact OD2-CE1 3.45Å; D74-H188 IonicContact OD2-NE2 3.59Å; H75-H188 AromaticContact NE2-CE1 3.68Å; H75-H188 AromaticContact NE2-NE2 3.75Å; D146-H188 IonicContact OD1-CD2 3.51Å; D146-H188 PolarHBondContact OD1-CD2 3.38Å; D146-H188 IonicContact OD1-NE2 3.93Å; D146-H188 PolarHBondContact OD1-NE2 3.1Å; D146-H188 IonicContact OD2-NE2 2.81Å; E149-H188 VanDerWaalsContact CD-CD2 3.41Å; E149-H188 HydrophobicContact CG-CB 4.18Å; E149-H188 CarbonylContact O-C 3.58Å; E149-H188 WeakPolarHBondContact O-CA 3.45Å; E149-H188 WeakPolarHBondContact O-CB 3.41Å; E149-H188 PolarHBondContact O-N 3.24Å; E149-H188 WeakPolarHBondContact OE1-CB 3.19Å; E149-H188 IonicContact OE1-CD2 2.73Å; E149-H188 PolarHBondContact OE1-CD2 2.51Å; E149-H188 IonicContact OE1-CG 3.33Å; E149-H188 IonicContact OE2-CD2 3.15Å; E149-H188 PolarHBondContact OE2-CD2 3.34Å
189	G	98.1	Very high	89.9	Confident	4 Å²	4	57.2 Å²	57.2	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	-167.7	177.9	175.3	0	0	0	0	0	113.7	G11 T26 E149 P186	G11-G189 WeakPolarHBondContact O-CA 3.35Å; G11-G189 PolarHBondContact O-N 3.48Å; T26-G189 PolarHBondContact OG1-O 3.01Å; E149-G189 PolarHBondContact O-N 3.44Å; P186-G189 WeakPolarHBondContact CG-O 3.41Å
190	P	97.9	Very high	87.6	Confident	70 Å²	70	66.2 Å²	66.2	46%	0.455	33%	0.33	S	S	.	.			trans	-68.3	153.9	175.2	30.1	-34.8	0	0	0	111.4	I10 P186	I10-P190 HydrophobicContact CG2-CB 4.02Å; P186-P190 WeakPolarHBondContact CD-O 3.49Å; P186-P190 WeakPolarHBondContact CG-O 3.47Å
191	A	97.6	Very high	87.1	Confident	30 Å²	30	66.2 Å²	66.2	25%	0.248	33%	0.329	C	S	.	.			trans	-59.4	138.3	169	0	0	0	0	0	110.7	F7 I184 V185	F7-A191 HydrophobicContact CE1-CB 4.3Å; F7-A191 HydrophobicContact CE2-CB 4.07Å; F7-A191 HydrophobicContact CZ-CB 3.64Å; I184-A191 CarbonylContact O-C 3.38Å; I184-A191 WeakPolarHBondContact O-CA 3.42Å; V185-A191 HydrophobicContact CB-CB 4.49Å; V185-A191 HydrophobicContact CG2-CB 3.88Å
192	F	97.1	Very high	86.7	Confident	12 Å²	12	69.4 Å²	69.4	5%	0.053	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.4	-175.9	63.2	-87.8	0	0	0	112.3	F148 E151 T154 Y183 I184 P186	F148-F192 HydrophobicContact CD1-CZ 4.02Å; F148-F192 HydrophobicContact CG-CZ 4.35Å; E151-F192 HydrophobicContact CB-CB 3.87Å; E151-F192 HydrophobicContact CB-CD1 3.7Å; E151-F192 HydrophobicContact CB-CD2 4.13Å; E151-F192 HydrophobicContact CB-CE1 4.22Å; E151-F192 HydrophobicContact CB-CG 3.64Å; E151-F192 HydrophobicContact CG-CB 3.84Å; E151-F192 HydrophobicContact CG-CD1 4.3Å; E151-F192 HydrophobicContact CG-CD2 3.8Å; E151-F192 HydrophobicContact CG-CE2 4.41Å; E151-F192 HydrophobicContact CG-CG 3.73Å; T154-F192 HydrophobicContact CG2-CE2 4.07Å; T154-F192 HydrophobicContact CG2-CZ 4.16Å; Y183-F192 WeakPolarHBondContact CA-O 3.44Å; Y183-F192 VanDerWaalsContact CD1-C 3.42Å; Y183-F192 VanDerWaalsContact CD1-O 3.29Å; Y183-F192 WeakPolarHBondContact CD1-O 3.12Å; I184-F192 HydrophobicContact CB-CD1 4.37Å; I184-F192 HydrophobicContact CB-CD2 4.49Å; I184-F192 HydrophobicContact CB-CE1 3.84Å; I184-F192 HydrophobicContact CB-CE2 3.97Å; I184-F192 HydrophobicContact CB-CZ 3.62Å; I184-F192 HydrophobicContact CD1-CE2 3.8Å; I184-F192 HydrophobicContact CD1-CZ 3.81Å; I184-F192 HydrophobicContact CG1-CE2 4.32Å; I184-F192 HydrophobicContact CG1-CZ 4.27Å; I184-F192 HydrophobicContact CG2-CE1 3.77Å; I184-F192 HydrophobicContact CG2-CZ 3.7Å; I184-F192 PolarHBondContact N-O 2.89Å; I184-F192 PolarHBondContact O-N 3.15Å; P186-F192 HydrophobicContact CB-CE1 4.14Å; P186-F192 HydrophobicContact CG-CD1 4.07Å; P186-F192 HydrophobicContact CG-CE1 3.92Å
193	K	96.3	Very high	86.1	Confident	118 Å²	118	69.3 Å²	69.3	51%	0.513	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.2	180	-170.5	172	-176.5	171.3	0	110	Y183 T195	Y183-K193 HydrophobicContact CD1-CB 4.28Å; Y183-K193 HydrophobicContact CD2-CB 4.34Å; Y183-K193 HydrophobicContact CD2-CG 4.15Å; Y183-K193 HydrophobicContact CE1-CB 3.8Å; Y183-K193 HydrophobicContact CE2-CB 3.88Å; Y183-K193 HydrophobicContact CE2-CD 3.93Å; Y183-K193 HydrophobicContact CE2-CG 3.68Å; K193-T195 PolarHBondContact O-N 2.81Å; K193-T195 VanDerWaalsContact O-N 3.08Å
194	V	94.8	Very high	85.5	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.139	35%	0.351	C	S	.	.			trans	-72.7	104.5	170.7	-177.8	0	0	0	0	108.9	I178 F181 D182 I184	I178-V194 HydrophobicContact CG2-CG1 3.98Å; I178-V194 WeakPolarHBondContact O-CG1 3.38Å; F181-V194 WeakPolarHBondContact O-CG2 3.13Å; D182-V194 PolarHBondContact O-N 3.2Å; I184-V194 HydrophobicContact CD1-CG2 3.69Å; I184-V194 HydrophobicContact CG1-CG2 3.81Å
195	T	86.8	Confident	84.7	Confident	115 Å²	115	74.9 Å²	74.9	71%	0.706	37%	0.373	S	S	*	.			trans	-96.7	-24.6	-177.6	55.6	0	0	0	0	113.8	K193	K193-T195 PolarHBondContact O-N 2.81Å; K193-T195 VanDerWaalsContact O-N 3.08Å
196	K	73.2	Confident	83.7	Confident	169 Å²	169	79.9 Å²	79.9	74%	0.735	40%	0.398	S	S	*	.			trans	-132.8	113.9	176.5	-71.1	-177.9	-179.4	177	0	109.3
197	K	65	Low	82.7	Confident	119 Å²	119	85.5 Å²	85.5	52%	0.517	43%	0.426	S	S	.	.			trans	-71.5	127.9	165	-61.5	-165.8	174.8	-162.8	0	107.3	G179 Q199	G179-K197 WeakPolarHBondContact O-CE 3.25Å; G179-K197 PolarHBondContact O-NZ 3.23Å; K197-Q199 PolarHBondContact O-N 3.35Å
198	W	57.5	Low	81.5	Confident	115 Å²	115	92 Å²	92	44%	0.436	46%	0.458	S	S	.	.			trans	-60.6	112.1	176.5	-70.8	32.2	0	0	0	106.8	E175 I178 N200	E175-W198 HydrophobicContact CG-CE3 4.2Å; I178-W198 HydrophobicContact CG2-CG 4.34Å; W198-N200 PolarHBondContact O-N 3Å
199	Q	47.9	Very low	80.1	Confident	190 Å²	190	98.4 Å²	98.4	89%	0.888	49%	0.49	S	S	*	.			trans	-82.5	115.3	174.5	-74.1	-175.1	-15.2	0	0	106.7	K197	K197-Q199 PolarHBondContact O-N 3.35Å
200	N	48.3	Very low	78.4	Confident	216 Å²	216	107 Å²	107	100%	1.155	53%	0.531	S	S	*	.			trans	-58.2	0	170.4	-71.6	-16.8	0	0	0	111.7	W198	W198-N200 PolarHBondContact O-N 3Å

Retrieved 200 of 200 residues in 92.3 ms (Link to these results)

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