A0A5K4F0M2_SCHMA Loading...

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 A0A5K4F0M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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	42	Very low	81	Confident	224 Å²	224	59 Å²	59	100%	1.103	34%	0.343	S	S	*	.				0	127.3	0	-69.7	177.1	-178.4	0	0	105.5	T3	M1-T3 PolarHBondContact O-N 3.24Å
2	G	42.8	Very low	82.1	Confident	60 Å²	60	54.8 Å²	54.8	62%	0.619	32%	0.318	S	S	*	.			trans	-48.3	130.6	-168.8	0	0	0	0	0	111.5	D4	G2-D4 PolarHBondContact O-N 3.23Å
3	T	56.1	Low	83.2	Confident	115 Å²	115	56.4 Å²	56.4	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-0.3	-174.2	40.3	0	0	0	0	114.3	M1 P35	M1-T3 PolarHBondContact O-N 3.24Å; T3-P35 WeakPolarHBondContact O-CG 3.45Å
4	D	74.5	Confident	84	Confident	113 Å²	113	52.6 Å²	52.6	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-16.3	-162.8	-55.1	-9.1	0	0	0	112.4	G2 P35	G2-D4 PolarHBondContact O-N 3.23Å; D4-P35 WeakPolarHBondContact O-CG 3.5Å
5	D	91.4	Very high	84.7	Confident	84 Å²	84	53.5 Å²	53.5	45%	0.449	31%	0.311	S	S	.	.	S	Bend	trans	-101.7	139	-178.3	-70.2	-18.5	0	0	0	112.6	R144	D5-R144 IonicContact OD2-NH2 3.94Å
6	Y	97.1	Very high	85.2	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	148.2	169.1	-80.5	-89	0	0	0	112.9	I32 R33 P35 A36 D121 N123 F124 V141 G143 R144	Y6-I32 HydrophobicContact CD1-CG2 3.59Å; Y6-I32 HydrophobicContact CE1-CG2 3.97Å; Y6-R33 CarbonylContact C-O 3.53Å; Y6-R33 WeakPolarHBondContact CA-O 3.33Å; Y6-P35 HydrophobicContact CE2-CG 4.29Å; Y6-A36 WeakPolarHBondContact OH-CB 2.99Å; Y6-A36 PolarHBondContact OH-N 3.36Å; Y6-A36 VanDerWaalsContact OH-N 3.12Å; Y6-D121 WeakPolarHBondContact CE2-OD1 3.44Å; Y6-D121 VanDerWaalsContact CE2-OD2 3.26Å; Y6-D121 WeakPolarHBondContact CE2-OD2 3.37Å; Y6-D121 VanDerWaalsContact CZ-OD2 3.27Å; Y6-D121 VanDerWaalsContact OH-CG 3.26Å; Y6-D121 PolarHBondContact OH-OD1 3.48Å; Y6-D121 PolarHBondContact OH-OD2 3.48Å; Y6-N123 HydrophobicContact CD2-CB 3.63Å; Y6-N123 HydrophobicContact CE2-CB 3.75Å; Y6-F124 HydrophobicContact CD1-CB 4.35Å; Y6-F124 HydrophobicContact CD2-CB 4.48Å; Y6-F124 HydrophobicContact CE1-CB 3.72Å; Y6-F124 AromaticContact CE1-CD1 3.8Å; Y6-F124 HydrophobicContact CE1-CD1 3.8Å; Y6-F124 AromaticContact CE1-CG 3.98Å; Y6-F124 HydrophobicContact CE1-CG 3.98Å; Y6-F124 HydrophobicContact CE2-CB 3.86Å; Y6-F124 VanDerWaalsContact CZ-CB 3.44Å; Y6-V141 HydrophobicContact CD1-CG1 4.08Å; Y6-V141 HydrophobicContact CG-CG1 3.85Å; Y6-G143 VanDerWaalsContact O-CA 3.29Å; Y6-G143 WeakPolarHBondContact O-CA 3.31Å; Y6-R144 PolarHBondContact O-N 3.26Å
7	S	97	Very high	85.5	Confident	16 Å²	16	56.3 Å²	56.3	11%	0.112	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.8	171	-57.3	0	0	0	0	109.4	I32 R33 R144	S7-I32 WeakPolarHBondContact O-CA 3.36Å; S7-R33 PolarHBondContact N-O 3.31Å; S7-R33 PolarHBondContact O-N 3.12Å; S7-R144 CarbonylContact C-O 3.04Å; S7-R144 WeakPolarHBondContact CA-O 3.32Å
8	V	98.1	Very high	85.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106.6	178	-175.8	0	0	0	0	107.5	V30 L31 I32 V141 R144 L145 I146 I159 V161	V8-V30 HydrophobicContact CG1-CG1 3.41Å; V8-V30 VanDerWaalsContact CG1-CG1 3.41Å; V8-L31 CarbonylContact C-O 3.56Å; V8-I32 HydrophobicContact CG1-CG1 4.5Å; V8-I32 HydrophobicContact CG2-CG1 4.42Å; V8-V141 HydrophobicContact CG2-CB 3.84Å; V8-V141 HydrophobicContact CG2-CG1 3.71Å; V8-V141 HydrophobicContact CG2-CG2 4.13Å; V8-R144 PolarHBondContact N-O 3.45Å; V8-L145 HydrophobicContact CB-CD1 4.28Å; V8-L145 HydrophobicContact CG1-CD1 4.13Å; V8-L145 WeakPolarHBondContact O-CA 3.47Å; V8-I146 PolarHBondContact O-N 2.8Å; V8-I159 HydrophobicContact CB-CD1 4.12Å; V8-I159 HydrophobicContact CB-CG2 4.48Å; V8-I159 HydrophobicContact CG1-CG2 4.21Å; V8-I159 HydrophobicContact CG2-CB 4.4Å; V8-I159 HydrophobicContact CG2-CD1 3.78Å; V8-I159 HydrophobicContact CG2-CG2 4.34Å; V8-V161 HydrophobicContact CG1-CG2 4.3Å
9	F	97.8	Very high	86	Confident	19 Å²	19	62.4 Å²	62.4	8%	0.083	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.5	179.5	-59.4	-97.8	0	0	0	110	L11 V30 L31 R33 A59 I146 L148	F9-L11 HydrophobicContact CB-CD2 4.23Å; F9-L11 PolarHBondContact O-N 3.29Å; F9-V30 CarbonylContact O-C 3.58Å; F9-V30 VanDerWaalsContact O-CA 3.3Å; F9-V30 WeakPolarHBondContact O-CA 3.3Å; F9-V30 WeakPolarHBondContact O-CG1 3.04Å; F9-L31 HydrophobicContact CB-CB 4.14Å; F9-L31 HydrophobicContact CD2-CB 4.4Å; F9-L31 HydrophobicContact CD2-CD2 3.96Å; F9-L31 HydrophobicContact CD2-CG 4.09Å; F9-L31 HydrophobicContact CE2-CD2 4.46Å; F9-L31 HydrophobicContact CG-CD2 4.4Å; F9-L31 PolarHBondContact N-O 3.24Å; F9-L31 PolarHBondContact O-N 2.95Å; F9-R33 HydrophobicContact CE2-CB 4.09Å; F9-A59 HydrophobicContact CD1-CB 4.35Å; F9-I146 WeakPolarHBondContact CA-O 3.44Å; F9-I146 HydrophobicContact CD1-CB 3.87Å; F9-I146 HydrophobicContact CD1-CD1 4.16Å; F9-I146 HydrophobicContact CD1-CG2 3.83Å; F9-I146 HydrophobicContact CE1-CB 4.17Å; F9-I146 HydrophobicContact CE1-CD1 3.6Å; F9-I146 HydrophobicContact CE1-CG1 4.47Å; F9-I146 HydrophobicContact CE1-CG2 4Å; F9-I146 HydrophobicContact CE2-CD1 4.49Å; F9-I146 HydrophobicContact CG-CB 4.46Å; F9-I146 HydrophobicContact CZ-CD1 3.79Å; F9-L148 HydrophobicContact CD1-CD2 3.9Å
10	L	97.4	Very high	86.3	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.063	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	103	164.9	-173.9	70.4	0	0	0	108.6	E13 N28 V30 I146 V214 P220	L10-E13 HydrophobicContact CD2-CB 4.3Å; L10-N28 HydrophobicContact CD1-CB 4.12Å; L10-V30 HydrophobicContact CD1-CG2 4.26Å; L10-I146 PolarHBondContact N-O 2.77Å; L10-V214 HydrophobicContact CD1-CG1 4.06Å; L10-P220 HydrophobicContact CD2-CG 4.01Å
11	L	96.9	Very high	86.6	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-43	-178.5	-61.4	-179.1	0	0	0	111.4	F9 T29 L31 L52 S55 L56 A59 L148	F9-L11 HydrophobicContact CB-CD2 4.23Å; F9-L11 PolarHBondContact O-N 3.29Å; L11-T29 WeakPolarHBondContact CB-O 3.38Å; L11-T29 WeakPolarHBondContact CB-OG1 3.3Å; L11-T29 PolarHBondContact N-O 2.86Å; L11-L31 HydrophobicContact CD1-CB 3.93Å; L11-L31 HydrophobicContact CD2-CB 3.83Å; L11-L31 HydrophobicContact CD2-CD2 4.46Å; L11-L31 HydrophobicContact CG-CB 3.92Å; L11-L52 HydrophobicContact CD1-CD1 3.81Å; L11-S55 PolarHBondContact O-OG 3.15Å; L11-L56 HydrophobicContact CD1-CD2 3.57Å; L11-L56 HydrophobicContact CD1-CG 3.95Å; L11-L56 HydrophobicContact CD2-CD2 4.43Å; L11-A59 HydrophobicContact CD2-CB 4.07Å; L11-L148 HydrophobicContact CD2-CD1 3.7Å
12	H	94.6	Very high	89	Confident	9 Å²	9	64.1 Å²	64.1	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.8	176.9	-67.5	-60.8	0	0	0	109.7	N28 T29 E51 S55	H12-N28 WeakPolarHBondContact O-CA 3.48Å; H12-N28 PolarHBondContact O-OD1 3.09Å; H12-T29 HydrophobicContact CB-CG2 4.29Å; H12-T29 WeakPolarHBondContact CB-OG1 3.4Å; H12-T29 PolarHBondContact CD2-OG1 3.25Å; H12-T29 VanDerWaalsContact CD2-OG1 3.24Å; H12-T29 PolarHBondContact N-O 2.78Å; H12-T29 PolarHBondContact N-OG1 2.9Å; H12-T29 PolarHBondContact O-N 3.49Å; H12-E51 VanDerWaalsContact CE1-CD 3.47Å; H12-E51 WeakPolarHBondContact CE1-CG 3.29Å; H12-E51 IonicContact CE1-OE1 2.7Å; H12-E51 PolarHBondContact CE1-OE1 3.32Å; H12-E51 IonicContact ND1-OE1 4Å; H12-E51 PolarHBondContact ND1-OE1 3.41Å; H12-E51 VanDerWaalsContact ND1-OE1 3.12Å; H12-E51 VanDerWaalsContact NE2-C 3.26Å; H12-E51 PolarHBondContact NE2-O 2.85Å; H12-S55 PolarHBondContact CE1-OG 3.5Å; H12-S55 PolarHBondContact NE2-OG 2.79Å
13	E	95.6	Very high	91.2	Very high	75 Å²	75	63.9 Å²	63.9	35%	0.35	34%	0.339	S	S	.	.			trans	-77.7	129.6	168.9	-168.1	-172.7	144	0	0	109.4	L10 N28 P219	L10-E13 HydrophobicContact CD2-CB 4.3Å; E13-N28 WeakPolarHBondContact CA-OD1 3.39Å; E13-P219 WeakPolarHBondContact OE1-CD 3.43Å
14	G	95	Very high	93	Very high	4 Å²	4	64.8 Å²	64.8	4%	0.041	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-75.4	156.9	179.5	0	0	0	0	0	112.2	K26 C27 N28 G218	G14-K26 CarbonylContact C-O 3.51Å; G14-K26 VanDerWaalsContact C-O 3.28Å; G14-K26 WeakPolarHBondContact CA-O 3.36Å; G14-C27 VanDerWaalsContact CA-C 3.47Å; G14-N28 PolarHBondContact N-OD1 2.78Å; G14-G218 PolarHBondContact O-N 2.79Å
15	S	94.9	Very high	93.9	Very high	66 Å²	66	64 Å²	64	46%	0.462	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.4	176.2	62.5	0	0	0	0	111.1	R25 K26 Y217	S15-R25 WeakPolarHBondContact O-CA 3.48Å; S15-K26 PolarHBondContact N-O 3.49Å; S15-K26 PolarHBondContact O-N 3.14Å; S15-Y217 VanDerWaalsContact O-CD1 3.32Å; S15-Y217 WeakPolarHBondContact O-CD1 3.18Å
16	Y	92.5	Very high	94.1	Very high	103 Å²	103	61.9 Å²	61.9	40%	0.404	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.8	174.6	179.5	-85.5	0	0	0	108.7	R18 V23 Y24 R25 M167 Y217	Y16-R18 HydrophobicContact CE1-CB 4.46Å; Y16-V23 HydrophobicContact CD2-CG1 4.19Å; Y16-V23 HydrophobicContact CE2-CG1 3.42Å; Y16-V23 VanDerWaalsContact CE2-CG1 3.42Å; Y16-Y24 WeakPolarHBondContact CA-O 3.28Å; Y16-R25 HydrophobicContact CD2-CG 3.7Å; Y16-R25 HydrophobicContact CE2-CG 4.09Å; Y16-M167 HydrophobicContact CD2-CE 4.37Å; Y16-M167 HydrophobicContact CE2-CE 4.46Å; Y16-Y217 HydrophobicContact CD2-CE2 4.22Å
17	A	90.8	Very high	94	Very high	51 Å²	51	61.8 Å²	61.8	42%	0.421	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.2	172.8	0	0	0	0	0	110.5	Y24	A17-Y24 PolarHBondContact N-O 2.8Å; A17-Y24 PolarHBondContact O-N 3.05Å
18	R	89.3	Confident	94	Very high	183 Å²	183	61.2 Å²	61.2	69%	0.691	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.2	178	-174.7	171.1	-170.2	114.3	-0.4	110.2	Y16 V23	Y16-R18 HydrophobicContact CE1-CB 4.46Å; R18-V23 HydrophobicContact CG-CG2 4.3Å
19	S	90.6	Very high	94	Very high	45 Å²	45	61.2 Å²	61.2	32%	0.315	30%	0.302	S	S	.	.			trans	-105.5	-175.8	165.8	72.8	0	0	0	0	110.2	D21 Y22	S19-D21 VanDerWaalsContact C-N 3.28Å; S19-D21 PolarHBondContact O-N 2.77Å; S19-Y22 PolarHBondContact N-O 2.89Å; S19-Y22 PolarHBondContact OG-N 3.29Å; S19-Y22 VanDerWaalsContact OG-N 3.09Å; S19-Y22 PolarHBondContact OG-O 3.36Å
20	S	91.2	Very high	94.1	Very high	109 Å²	109	60.4 Å²	60.4	76%	0.762	30%	0.298	S	S	*	.	S	Bend	trans	-56.6	-42.6	176.1	45.1	0	0	0	0	112.6
21	D	93.5	Very high	94.1	Very high	126 Å²	126	59.9 Å²	59.9	67%	0.674	30%	0.295	S	S	*	.	S	Bend	trans	-115.4	-17	-167.6	-53.2	-63.7	0	0	0	113.1	S19	S19-D21 VanDerWaalsContact C-N 3.28Å; S19-D21 PolarHBondContact O-N 2.77Å
22	Y	91.1	Very high	94.2	Very high	151 Å²	151	59.6 Å²	59.6	59%	0.592	29%	0.294	S	S	*	.			trans	-133.1	151.2	-172.2	-56.9	-76	0	0	0	112.6	S19	S19-Y22 PolarHBondContact N-O 2.89Å; S19-Y22 PolarHBondContact OG-N 3.29Å; S19-Y22 VanDerWaalsContact OG-N 3.09Å; S19-Y22 PolarHBondContact OG-O 3.36Å
23	V	90.9	Very high	94.3	Very high	54 Å²	54	62.9 Å²	62.9	33%	0.327	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.8	167.4	-176.2	0	0	0	0	107.3	Y16 R18 R25	Y16-V23 HydrophobicContact CD2-CG1 4.19Å; Y16-V23 HydrophobicContact CE2-CG1 3.42Å; Y16-V23 VanDerWaalsContact CE2-CG1 3.42Å; R18-V23 HydrophobicContact CG-CG2 4.3Å; V23-R25 HydrophobicContact CG1-CG 4Å
24	Y	92.9	Very high	94.3	Very high	135 Å²	135	60.1 Å²	60.1	53%	0.529	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.7	176	-58.9	-88.1	0	0	0	108.5	Y16 A17	Y16-Y24 WeakPolarHBondContact CA-O 3.28Å; A17-Y24 PolarHBondContact N-O 2.8Å; A17-Y24 PolarHBondContact O-N 3.05Å
25	R	93.6	Very high	94.4	Very high	96 Å²	96	63.3 Å²	63.3	36%	0.362	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	179.9	-77.8	179.2	-74.1	162.7	-5.3	110.1	S15 Y16 V23 E79 Y217	S15-R25 WeakPolarHBondContact O-CA 3.48Å; Y16-R25 HydrophobicContact CD2-CG 3.7Å; Y16-R25 HydrophobicContact CE2-CG 4.09Å; V23-R25 HydrophobicContact CG1-CG 4Å; R25-E79 IonicContact CZ-OE1 3.94Å; R25-E79 IonicContact NE-OE1 2.76Å; R25-E79 IonicContact NH1-OE1 3.95Å; R25-E79 PolarHBondContact NH1-OE1 2.88Å; R25-E79 IonicContact NH1-OE2 3.38Å; R25-Y217 HydrophobicContact CB-CE1 4.11Å; R25-Y217 WeakPolarHBondContact CD-OH 3.39Å; R25-Y217 HydrophobicContact CG-CE1 4.08Å
26	K	95.3	Very high	94.4	Very high	39 Å²	39	60.8 Å²	60.8	17%	0.17	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.1	165.3	-179.3	175	173.5	-178.8	0	106.6	G14 S15 E51 Y217	G14-K26 CarbonylContact C-O 3.51Å; G14-K26 VanDerWaalsContact C-O 3.28Å; G14-K26 WeakPolarHBondContact CA-O 3.36Å; S15-K26 PolarHBondContact N-O 3.49Å; S15-K26 PolarHBondContact O-N 3.14Å; K26-E51 IonicContact NZ-OE1 2.72Å; K26-E51 PolarHBondContact NZ-OE1 2.85Å; K26-E51 IonicContact NZ-OE2 2.64Å; K26-E51 PolarHBondContact NZ-OE2 2.87Å; K26-Y217 VanDerWaalsContact O-CD1 3.26Å; K26-Y217 WeakPolarHBondContact O-CD1 3.43Å
27	C	95.7	Very high	94.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.			trans	-77.4	163.8	-178.9	70	0	0	0	0	111.6	G14 T29 E79 H80 A216	G14-C27 VanDerWaalsContact CA-C 3.47Å; C27-T29 PolarHBondContact O-N 2.96Å; C27-E79 HydrophobicContact CB-CG 4.43Å; C27-E79 PolarHBondContact SG-O 3.27Å; C27-H80 WeakPolarHBondContact CB-CD2 3.4Å; C27-A216 CarbonylContact C-O 3.28Å; C27-A216 VanDerWaalsContact CA-O 3.29Å; C27-A216 WeakPolarHBondContact CA-O 3.34Å
28	N	97.4	Very high	95	Very high	3 Å²	3	55 Å²	55	2%	0.016	28%	0.276	C	S	.	.			trans	-59.1	132.8	158.4	-81.3	-32.8	0	0	0	109.2	L10 H12 E13 G14 V214 P215 A216 G218	L10-N28 HydrophobicContact CD1-CB 4.12Å; H12-N28 WeakPolarHBondContact O-CA 3.48Å; H12-N28 PolarHBondContact O-OD1 3.09Å; E13-N28 WeakPolarHBondContact CA-OD1 3.39Å; G14-N28 PolarHBondContact N-OD1 2.78Å; N28-V214 HydrophobicContact CB-CG1 3.97Å; N28-P215 WeakPolarHBondContact CB-O 3.37Å; N28-P215 PolarHBondContact ND2-O 3.17Å; N28-A216 PolarHBondContact N-O 3.08Å; N28-G218 PolarHBondContact ND2-O 3.4Å; N28-G218 PolarHBondContact OD1-O 3.12Å
29	T	97.9	Very high	95.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.2	170.3	72.4	0	0	0	0	107.9	L11 H12 C27 N42	L11-T29 WeakPolarHBondContact CB-O 3.38Å; L11-T29 WeakPolarHBondContact CB-OG1 3.3Å; L11-T29 PolarHBondContact N-O 2.86Å; H12-T29 HydrophobicContact CB-CG2 4.29Å; H12-T29 WeakPolarHBondContact CB-OG1 3.4Å; H12-T29 PolarHBondContact CD2-OG1 3.25Å; H12-T29 VanDerWaalsContact CD2-OG1 3.24Å; H12-T29 PolarHBondContact N-O 2.78Å; H12-T29 PolarHBondContact N-OG1 2.9Å; H12-T29 PolarHBondContact O-N 3.49Å; C27-T29 PolarHBondContact O-N 2.96Å; T29-N42 WeakPolarHBondContact CB-O 3.44Å; T29-N42 WeakPolarHBondContact CG2-O 3.5Å
30	V	98.4	Very high	95.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.1	-169.8	179.2	0	0	0	0	110	V8 F9 L10 I32 V40 V41 V161 V214	V8-V30 HydrophobicContact CG1-CG1 3.41Å; V8-V30 VanDerWaalsContact CG1-CG1 3.41Å; F9-V30 CarbonylContact O-C 3.58Å; F9-V30 VanDerWaalsContact O-CA 3.3Å; F9-V30 WeakPolarHBondContact O-CA 3.3Å; F9-V30 WeakPolarHBondContact O-CG1 3.04Å; L10-V30 HydrophobicContact CD1-CG2 4.26Å; V30-I32 HydrophobicContact CG1-CG1 4.26Å; V30-V40 CarbonylContact O-C 3.53Å; V30-V40 WeakPolarHBondContact O-CA 3.41Å; V30-V41 HydrophobicContact CB-CB 4.12Å; V30-V41 HydrophobicContact CB-CG2 4.44Å; V30-V41 PolarHBondContact N-O 3.08Å; V30-V41 PolarHBondContact O-N 2.64Å; V30-V161 HydrophobicContact CG1-CG2 4.22Å; V30-V161 HydrophobicContact CG2-CG1 4.1Å; V30-V161 HydrophobicContact CG2-CG2 4.49Å; V30-V214 HydrophobicContact CG2-CG1 3.87Å
31	L	98.5	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.2	166.5	166.6	72.5	0	0	0	108.5	V8 F9 L11 A38 Y39 V40 L56 A59 I61 I68	V8-L31 CarbonylContact C-O 3.56Å; F9-L31 HydrophobicContact CB-CB 4.14Å; F9-L31 HydrophobicContact CD2-CB 4.4Å; F9-L31 HydrophobicContact CD2-CD2 3.96Å; F9-L31 HydrophobicContact CD2-CG 4.09Å; F9-L31 HydrophobicContact CE2-CD2 4.46Å; F9-L31 HydrophobicContact CG-CD2 4.4Å; F9-L31 PolarHBondContact N-O 3.24Å; F9-L31 PolarHBondContact O-N 2.95Å; L11-L31 HydrophobicContact CD1-CB 3.93Å; L11-L31 HydrophobicContact CD2-CB 3.83Å; L11-L31 HydrophobicContact CD2-CD2 4.46Å; L11-L31 HydrophobicContact CG-CB 3.92Å; L31-A38 HydrophobicContact CD1-CB 4.17Å; L31-Y39 CarbonylContact C-O 3.52Å; L31-Y39 WeakPolarHBondContact CA-O 3.26Å; L31-V40 HydrophobicContact CD1-CG2 4.49Å; L31-L56 HydrophobicContact CB-CD2 4.3Å; L31-L56 HydrophobicContact CD1-CD2 4.15Å; L31-L56 HydrophobicContact CD2-CD2 4.21Å; L31-L56 HydrophobicContact CG-CD2 4.47Å; L31-A59 HydrophobicContact CD2-CB 3.69Å; L31-I61 HydrophobicContact CD1-CG1 4.35Å; L31-I61 HydrophobicContact CD2-CD1 4.41Å; L31-I61 HydrophobicContact CD2-CG1 3.82Å; L31-I68 HydrophobicContact CD1-CD1 3.84Å
32	I	98.3	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.3	169.6	-61	168.6	0	0	0	107.2	Y6 S7 V8 V30 A38 Y39 V41 F124 L139 V141	Y6-I32 HydrophobicContact CD1-CG2 3.59Å; Y6-I32 HydrophobicContact CE1-CG2 3.97Å; S7-I32 WeakPolarHBondContact O-CA 3.36Å; V8-I32 HydrophobicContact CG1-CG1 4.5Å; V8-I32 HydrophobicContact CG2-CG1 4.42Å; V30-I32 HydrophobicContact CG1-CG1 4.26Å; I32-A38 CarbonylContact O-C 3.48Å; I32-A38 WeakPolarHBondContact O-CA 3.3Å; I32-Y39 PolarHBondContact N-O 3.04Å; I32-Y39 PolarHBondContact O-N 3.47Å; I32-V41 HydrophobicContact CD1-CG2 3.64Å; I32-V41 HydrophobicContact CG1-CG2 4.15Å; I32-F124 HydrophobicContact CD1-CD2 4.43Å; I32-F124 HydrophobicContact CD1-CE2 3.67Å; I32-F124 HydrophobicContact CD1-CZ 3.93Å; I32-F124 HydrophobicContact CG2-CE1 4.43Å; I32-F124 HydrophobicContact CG2-CZ 4.42Å; I32-L139 HydrophobicContact CD1-CD2 3.71Å; I32-V141 HydrophobicContact CD1-CG2 3.68Å; I32-V141 HydrophobicContact CG1-CG2 4.26Å; I32-V141 HydrophobicContact CG2-CG1 4.32Å; I32-V141 HydrophobicContact CG2-CG2 4.31Å
33	R	97.1	Very high	96.7	Very high	77 Å²	77	26.1 Å²	26.1	29%	0.291	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.7	176.2	-175.9	-174.9	-66.1	156.3	2.2	109.5	Y6 S7 F9 A59	Y6-R33 CarbonylContact C-O 3.53Å; Y6-R33 WeakPolarHBondContact CA-O 3.33Å; S7-R33 PolarHBondContact N-O 3.31Å; S7-R33 PolarHBondContact O-N 3.12Å; F9-R33 HydrophobicContact CE2-CB 4.09Å; R33-A59 VanDerWaalsContact CZ-O 3.29Å; R33-A59 PolarHBondContact NH1-O 3.05Å; R33-A59 PolarHBondContact NH2-O 3.03Å
34	G	96.2	Very high	97	Very high	18 Å²	18	23.6 Å²	23.6	19%	0.186	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-162.2	175.1	0	0	0	0	0	112.1	A36 G37	G34-A36 VanDerWaalsContact C-N 3.28Å; G34-A36 PolarHBondContact O-N 2.96Å; G34-G37 PolarHBondContact N-O 2.49Å; G34-G37 VanDerWaalsContact N-O 3.15Å; G34-G37 PolarHBondContact O-N 3.18Å
35	P	95.6	Very high	97.1	Very high	70 Å²	70	17.8 Å²	17.8	46%	0.455	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-41.3	179.4	-29.5	33.2	0	0	0	114.8	T3 D4 Y6 G37	T3-P35 WeakPolarHBondContact O-CG 3.45Å; D4-P35 WeakPolarHBondContact O-CG 3.5Å; Y6-P35 HydrophobicContact CE2-CG 4.29Å; P35-G37 PolarHBondContact O-N 2.83Å
36	A	96	Very high	97.2	Very high	13 Å²	13	17.7 Å²	17.7	11%	0.107	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.7	-180	0	0	0	0	0	114.1	Y6 G34 Y39 K69 F120	Y6-A36 WeakPolarHBondContact OH-CB 2.99Å; Y6-A36 PolarHBondContact OH-N 3.36Å; Y6-A36 VanDerWaalsContact OH-N 3.12Å; G34-A36 VanDerWaalsContact C-N 3.28Å; G34-A36 PolarHBondContact O-N 2.96Å; A36-Y39 HydrophobicContact CB-CE2 4.16Å; A36-Y39 WeakPolarHBondContact O-CE2 3.32Å; A36-Y39 PolarHBondContact O-OH 3.36Å; A36-Y39 VanDerWaalsContact O-OH 3.12Å; A36-K69 WeakPolarHBondContact O-CD 3.4Å; A36-K69 WeakPolarHBondContact O-CE 3.48Å; A36-K69 PolarHBondContact O-NZ 2.85Å; A36-F120 HydrophobicContact CB-CB 3.93Å
37	G	96.7	Very high	97.3	Very high	23 Å²	23	26.1 Å²	26.1	24%	0.237	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.9	-165.3	-179	0	0	0	0	0	114	G34 P35	G34-G37 PolarHBondContact N-O 2.49Å; G34-G37 VanDerWaalsContact N-O 3.15Å; G34-G37 PolarHBondContact O-N 3.18Å; P35-G37 PolarHBondContact O-N 2.83Å
38	A	97.9	Very high	97.2	Very high	9 Å²	9	27 Å²	27	7%	0.074	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.7	177.2	0	0	0	0	0	111.2	L31 I32 I61 I68 K69 G70	L31-A38 HydrophobicContact CD1-CB 4.17Å; I32-A38 CarbonylContact O-C 3.48Å; I32-A38 WeakPolarHBondContact O-CA 3.3Å; A38-I61 HydrophobicContact CB-CD1 4.1Å; A38-I68 HydrophobicContact CB-CD1 3.9Å; A38-K69 PolarHBondContact O-N 2.88Å; A38-G70 PolarHBondContact O-N 2.79Å
39	Y	98.6	Very high	97.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	-177.8	-63.4	-100.2	0	0	0	110.8	L31 I32 A36 G70 I72 I92 F120 F124	L31-Y39 CarbonylContact C-O 3.52Å; L31-Y39 WeakPolarHBondContact CA-O 3.26Å; I32-Y39 PolarHBondContact N-O 3.04Å; I32-Y39 PolarHBondContact O-N 3.47Å; A36-Y39 HydrophobicContact CB-CE2 4.16Å; A36-Y39 WeakPolarHBondContact O-CE2 3.32Å; A36-Y39 PolarHBondContact O-OH 3.36Å; A36-Y39 VanDerWaalsContact O-OH 3.12Å; Y39-G70 VanDerWaalsContact CA-O 3.24Å; Y39-G70 WeakPolarHBondContact CA-O 3.45Å; Y39-I72 HydrophobicContact CD1-CD1 4.2Å; Y39-I92 HydrophobicContact CE1-CG2 3.94Å; Y39-F120 HydrophobicContact CD1-CE1 4.38Å; Y39-F120 HydrophobicContact CD1-CZ 4.26Å; Y39-F120 AromaticContact CE1-CD1 3.96Å; Y39-F120 HydrophobicContact CE1-CD1 3.96Å; Y39-F120 AromaticContact CE1-CE1 3.44Å; Y39-F120 HydrophobicContact CE1-CE1 3.44Å; Y39-F120 VanDerWaalsContact CE1-CE1 3.44Å; Y39-F120 HydrophobicContact CE1-CE2 4.48Å; Y39-F120 AromaticContact CE1-CZ 3.74Å; Y39-F120 HydrophobicContact CE1-CZ 3.74Å; Y39-F120 AromaticContact CZ-CD1 3.74Å; Y39-F120 AromaticContact CZ-CE1 3.74Å; Y39-F120 VanDerWaalsContact OH-CD1 3.3Å; Y39-F120 WeakPolarHBondContact OH-CD1 3.34Å; Y39-F124 HydrophobicContact CD1-CE1 4.19Å; Y39-F124 HydrophobicContact CD2-CD1 4.36Å; Y39-F124 AromaticContact CD2-CE1 3.51Å; Y39-F124 HydrophobicContact CD2-CE1 3.51Å; Y39-F124 HydrophobicContact CD2-CZ 4.29Å; Y39-F124 HydrophobicContact CE1-CE1 4.37Å; Y39-F124 HydrophobicContact CE2-CD1 4.3Å; Y39-F124 AromaticContact CE2-CE1 3.71Å; Y39-F124 HydrophobicContact CE2-CE1 3.71Å; Y39-F124 AromaticContact CG-CE1 3.78Å; Y39-F124 HydrophobicContact CG-CE1 3.78Å; Y39-F124 HydrophobicContact CG-CZ 4.15Å
40	V	98.6	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.9	172.4	177	0	0	0	0	109.1	V30 L31 P43 L52 L56 I68 G70 V71 I72 F87	V30-V40 CarbonylContact O-C 3.53Å; V30-V40 WeakPolarHBondContact O-CA 3.41Å; L31-V40 HydrophobicContact CD1-CG2 4.49Å; V40-P43 HydrophobicContact CG1-CB 3.93Å; V40-L52 HydrophobicContact CG1-CD1 4.43Å; V40-L56 HydrophobicContact CG2-CD1 4.34Å; V40-L56 HydrophobicContact CG2-CD2 3.99Å; V40-I68 HydrophobicContact CB-CG2 4.48Å; V40-I68 HydrophobicContact CG2-CD1 3.7Å; V40-I68 HydrophobicContact CG2-CG1 3.88Å; V40-I68 HydrophobicContact CG2-CG2 3.95Å; V40-G70 PolarHBondContact N-O 2.83Å; V40-V71 CarbonylContact O-C 3.53Å; V40-V71 WeakPolarHBondContact O-CA 3.43Å; V40-I72 PolarHBondContact O-N 2.88Å; V40-F87 HydrophobicContact CB-CE2 4.35Å; V40-F87 HydrophobicContact CB-CZ 4.23Å; V40-F87 HydrophobicContact CG1-CE2 4.2Å; V40-F87 HydrophobicContact CG1-CZ 4.16Å; V40-F87 HydrophobicContact CG2-CE1 4Å; V40-F87 HydrophobicContact CG2-CE2 4.43Å; V40-F87 HydrophobicContact CG2-CZ 3.85Å
41	V	98.7	Very high	96.9	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.2	177.7	-167.3	0	0	0	0	109.9	V30 I32 I72 T74 L139 V161	V30-V41 HydrophobicContact CB-CB 4.12Å; V30-V41 HydrophobicContact CB-CG2 4.44Å; V30-V41 PolarHBondContact N-O 3.08Å; V30-V41 PolarHBondContact O-N 2.64Å; I32-V41 HydrophobicContact CD1-CG2 3.64Å; I32-V41 HydrophobicContact CG1-CG2 4.15Å; V41-I72 CarbonylContact C-O 3.53Å; V41-I72 WeakPolarHBondContact CA-O 3.41Å; V41-I72 WeakPolarHBondContact CG1-O 3.34Å; V41-T74 HydrophobicContact CG1-CG2 4.19Å; V41-L139 HydrophobicContact CB-CD2 4.45Å; V41-L139 HydrophobicContact CG1-CD1 3.64Å; V41-L139 HydrophobicContact CG1-CD2 4.07Å; V41-L139 HydrophobicContact CG2-CD2 3.5Å; V41-V161 HydrophobicContact CB-CG1 4.43Å; V41-V161 HydrophobicContact CG1-CG1 3.82Å
42	N	98	Very high	96.8	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.197	C	C	.	.			trans	46.2	74.2	-176.4	-65.1	-17.2	0	0	0	111.5	T29 G44 I72 C73 T74 H80	T29-N42 WeakPolarHBondContact CB-O 3.44Å; T29-N42 WeakPolarHBondContact CG2-O 3.5Å; N42-G44 PolarHBondContact O-N 3.14Å; N42-I72 PolarHBondContact N-O 3.45Å; N42-C73 WeakPolarHBondContact OD1-CA 3.24Å; N42-T74 PolarHBondContact ND2-OG1 2.83Å; N42-T74 PolarHBondContact OD1-N 2.79Å; N42-T74 PolarHBondContact OD1-OG1 3Å; N42-H80 CarbonylContact C-O 3.51Å; N42-H80 HydrophobicContact CB-CB 4.27Å
43	P	97.8	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.			trans	-62.2	1.9	-175.2	28.1	-40.9	0	0	0	115.8	V40 L52 V71 H80 C83 M84 F87	V40-P43 HydrophobicContact CG1-CB 3.93Å; P43-L52 HydrophobicContact CB-CD2 3.79Å; P43-L52 WeakPolarHBondContact O-CD2 3.46Å; P43-V71 HydrophobicContact CG-CG1 4Å; P43-H80 WeakPolarHBondContact CD-O 3.42Å; P43-H80 WeakPolarHBondContact CG-O 3.47Å; P43-C83 HydrophobicContact CB-CB 3.84Å; P43-C83 HydrophobicContact CG-CB 4.45Å; P43-C83 WeakPolarHBondContact O-CB 3.26Å; P43-M84 HydrophobicContact CG-CG 3.85Å; P43-F87 HydrophobicContact CB-CE2 3.91Å
44	G	97.1	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	22%	0.224	C	C	.	.			trans	91.9	178.8	177.4	0	0	0	0	0	112.8	N42 E79 G82 C83	N42-G44 PolarHBondContact O-N 3.14Å; G44-E79 CarbonylContact C-O 3.59Å; G44-E79 WeakPolarHBondContact CA-O 3.28Å; G44-G82 CarbonylContact O-C 3.43Å; G44-G82 VanDerWaalsContact O-CA 3.24Å; G44-G82 WeakPolarHBondContact O-CA 3.43Å; G44-G82 PolarHBondContact O-N 3.31Å; G44-C83 PolarHBondContact O-N 2.88Å; G44-C83 VanDerWaalsContact O-N 3.15Å
45	S	96.2	Very high	96.7	Very high	13 Å²	13	39 Å²	39	9%	0.091	22%	0.222	C	C	.	.			trans	-70.3	167.3	174	74.1	0	0	0	0	112.1	W47 N48 A78 E79 C83	S45-W47 PolarHBondContact O-N 3.02Å; S45-W47 PolarHBondContact OG-N 3.4Å; S45-N48 WeakPolarHBondContact CB-OD1 3.29Å; S45-N48 PolarHBondContact N-OD1 3.03Å; S45-N48 PolarHBondContact O-N 2.88Å; S45-N48 PolarHBondContact OG-OD1 2.72Å; S45-A78 WeakPolarHBondContact CA-O 3.29Å; S45-E79 PolarHBondContact N-O 2.87Å; S45-C83 PolarHBondContact O-SG 3.14Å
46	V	96.1	Very high	96.7	Very high	94 Å²	94	35.7 Å²	35.7	57%	0.57	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.9	176.5	-62	0	0	0	0	113.5	G82	V46-G82 WeakPolarHBondContact CG1-O 3.22Å
47	W	95.7	Very high	96.8	Very high	215 Å²	215	40.8 Å²	40.8	81%	0.814	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.2	-179.6	-50.3	-64.4	0	0	0	113.5	S45	S45-W47 PolarHBondContact O-N 3.02Å; S45-W47 PolarHBondContact OG-N 3.4Å
48	N	94.9	Very high	96.7	Very high	19 Å²	19	43.4 Å²	43.4	10%	0.102	24%	0.24	C	C	.	.			trans	-89.3	-5.4	-177.5	-60.9	122.4	0	0	0	113.9	S45 E51 L52	S45-N48 WeakPolarHBondContact CB-OD1 3.29Å; S45-N48 PolarHBondContact N-OD1 3.03Å; S45-N48 PolarHBondContact O-N 2.88Å; S45-N48 PolarHBondContact OG-OD1 2.72Å; N48-E51 WeakPolarHBondContact O-CB 3.45Å; N48-E51 PolarHBondContact O-N 2.87Å; N48-L52 WeakPolarHBondContact O-CB 3.27Å; N48-L52 PolarHBondContact O-N 3.41Å
49	G	95.4	Very high	96.5	Very high	10 Å²	10	43.4 Å²	43.4	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-50.2	-53.4	-172.6	0	0	0	0	0	114.8	E51 L52 L53 C83	G49-E51 VanDerWaalsContact C-N 3.3Å; G49-E51 PolarHBondContact O-N 3.37Å; G49-L52 PolarHBondContact O-N 3Å; G49-L53 WeakPolarHBondContact O-CG 3.24Å; G49-L53 PolarHBondContact O-N 2.8Å; G49-C83 WeakPolarHBondContact CA-SG 3.42Å; G49-C83 PolarHBondContact N-SG 3.16Å
50	P	95.6	Very high	96.3	Very high	104 Å²	104	45 Å²	45	68%	0.675	26%	0.257	S	S	*	.	H	α-helix	trans	-59.5	-39.7	178.6	-25.7	35.2	0	0	0	113.5	S54	P50-S54 PolarHBondContact O-N 3.25Å; P50-S54 VanDerWaalsContact O-N 3.13Å
51	E	95.2	Very high	96.3	Very high	82 Å²	82	45.3 Å²	45.3	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-70.7	-42.1	-179.4	-149.9	-165.9	155.2	0	0	111.3	H12 K26 N48 G49 S54 S55	H12-E51 VanDerWaalsContact CE1-CD 3.47Å; H12-E51 WeakPolarHBondContact CE1-CG 3.29Å; H12-E51 IonicContact CE1-OE1 2.7Å; H12-E51 PolarHBondContact CE1-OE1 3.32Å; H12-E51 IonicContact ND1-OE1 4Å; H12-E51 PolarHBondContact ND1-OE1 3.41Å; H12-E51 VanDerWaalsContact ND1-OE1 3.12Å; H12-E51 VanDerWaalsContact NE2-C 3.26Å; H12-E51 PolarHBondContact NE2-O 2.85Å; K26-E51 IonicContact NZ-OE1 2.72Å; K26-E51 PolarHBondContact NZ-OE1 2.85Å; K26-E51 IonicContact NZ-OE2 2.64Å; K26-E51 PolarHBondContact NZ-OE2 2.87Å; N48-E51 WeakPolarHBondContact O-CB 3.45Å; N48-E51 PolarHBondContact O-N 2.87Å; G49-E51 VanDerWaalsContact C-N 3.3Å; G49-E51 PolarHBondContact O-N 3.37Å; E51-S54 PolarHBondContact O-N 3.28Å; E51-S55 PolarHBondContact O-N 3.4Å; E51-S55 PolarHBondContact O-OG 2.87Å
52	L	96.8	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-50.6	175.1	176.7	66.7	0	0	0	111	L11 V40 P43 N48 G49 S54 S55 L56 C83 F87	L11-L52 HydrophobicContact CD1-CD1 3.81Å; V40-L52 HydrophobicContact CG1-CD1 4.43Å; P43-L52 HydrophobicContact CB-CD2 3.79Å; P43-L52 WeakPolarHBondContact O-CD2 3.46Å; N48-L52 WeakPolarHBondContact O-CB 3.27Å; N48-L52 PolarHBondContact O-N 3.41Å; G49-L52 PolarHBondContact O-N 3Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.15Å; L52-S55 PolarHBondContact O-N 3.01Å; L52-L56 HydrophobicContact CD1-CD1 4.28Å; L52-L56 HydrophobicContact CD1-CG 4.4Å; L52-L56 HydrophobicContact CG-CD1 4.03Å; L52-L56 WeakPolarHBondContact O-CG 3.24Å; L52-L56 PolarHBondContact O-N 3.4Å; L52-C83 HydrophobicContact CD2-CB 3.89Å; L52-F87 HydrophobicContact CD2-CE2 3.94Å; L52-F87 HydrophobicContact CD2-CZ 3.69Å; L52-F87 HydrophobicContact CG-CZ 4.46Å
53	L	97	Very high	96	Very high	58 Å²	58	56.7 Å²	56.7	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-37.3	179.5	-71.1	174.3	0	0	0	112.3	G49 K57 P64 T86	G49-L53 WeakPolarHBondContact O-CG 3.24Å; G49-L53 PolarHBondContact O-N 2.8Å; L53-K57 WeakPolarHBondContact O-CG 3.16Å; L53-K57 PolarHBondContact O-N 2.81Å; L53-K57 VanDerWaalsContact O-N 3.16Å; L53-P64 HydrophobicContact CD2-CB 3.78Å; L53-P64 HydrophobicContact CD2-CG 3.78Å; L53-T86 HydrophobicContact CD1-CG2 4.38Å; L53-T86 HydrophobicContact CD2-CG2 3.71Å; L53-T86 HydrophobicContact CG-CG2 4.28Å
54	S	96	Very high	95.9	Very high	79 Å²	79	57.1 Å²	57.1	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-64.4	-47.7	174.8	-170.4	0	0	0	0	111.8	P50 E51 L52 L56 K57 A58	P50-S54 PolarHBondContact O-N 3.25Å; P50-S54 VanDerWaalsContact O-N 3.13Å; E51-S54 PolarHBondContact O-N 3.28Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.15Å; S54-L56 PolarHBondContact O-N 3.05Å; S54-K57 PolarHBondContact O-N 2.98Å; S54-A58 PolarHBondContact O-N 3.24Å
55	S	96	Very high	95.9	Very high	20 Å²	20	61.8 Å²	61.8	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-36.3	178.3	-70.9	0	0	0	0	113	L11 H12 E51 L52 A58 A59	L11-S55 PolarHBondContact O-OG 3.15Å; H12-S55 PolarHBondContact CE1-OG 3.5Å; H12-S55 PolarHBondContact NE2-OG 2.79Å; E51-S55 PolarHBondContact O-N 3.4Å; E51-S55 PolarHBondContact O-OG 2.87Å; L52-S55 PolarHBondContact O-N 3.01Å; S55-A58 PolarHBondContact O-N 2.84Å; S55-A59 WeakPolarHBondContact O-CB 3.33Å; S55-A59 PolarHBondContact O-N 2.9Å
56	L	97.5	Very high	95.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-44.2	173.9	-75.7	172.3	0	0	0	111.5	L11 L31 V40 L52 S54 A59 G60 I61 P64 I68 F87	L11-L56 HydrophobicContact CD1-CD2 3.57Å; L11-L56 HydrophobicContact CD1-CG 3.95Å; L11-L56 HydrophobicContact CD2-CD2 4.43Å; L31-L56 HydrophobicContact CB-CD2 4.3Å; L31-L56 HydrophobicContact CD1-CD2 4.15Å; L31-L56 HydrophobicContact CD2-CD2 4.21Å; L31-L56 HydrophobicContact CG-CD2 4.47Å; V40-L56 HydrophobicContact CG2-CD1 4.34Å; V40-L56 HydrophobicContact CG2-CD2 3.99Å; L52-L56 HydrophobicContact CD1-CD1 4.28Å; L52-L56 HydrophobicContact CD1-CG 4.4Å; L52-L56 HydrophobicContact CG-CD1 4.03Å; L52-L56 WeakPolarHBondContact O-CG 3.24Å; L52-L56 PolarHBondContact O-N 3.4Å; S54-L56 PolarHBondContact O-N 3.05Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 WeakPolarHBondContact O-CB 3.38Å; L56-A59 PolarHBondContact O-N 2.84Å; L56-A59 VanDerWaalsContact O-N 3.15Å; L56-G60 PolarHBondContact O-N 2.79Å; L56-I61 CarbonylContact C-O 3.52Å; L56-I61 HydrophobicContact CB-CB 4.14Å; L56-I61 HydrophobicContact CD2-CG1 4.31Å; L56-I61 WeakPolarHBondContact O-CB 3.32Å; L56-I61 PolarHBondContact O-N 3.13Å; L56-P64 HydrophobicContact CB-CG 4.14Å; L56-P64 HydrophobicContact CD1-CB 3.95Å; L56-P64 HydrophobicContact CD1-CG 4.21Å; L56-I68 HydrophobicContact CD2-CD1 4.37Å; L56-F87 HydrophobicContact CD1-CE1 3.78Å; L56-F87 HydrophobicContact CD1-CZ 3.86Å
57	K	96.4	Very high	95.9	Very high	120 Å²	120	66.2 Å²	66.2	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-42.2	174.1	-72.8	175.8	-179.3	-178.6	0	112.2	L53 S54 A59 G60 I61	L53-K57 WeakPolarHBondContact O-CG 3.16Å; L53-K57 PolarHBondContact O-N 2.81Å; L53-K57 VanDerWaalsContact O-N 3.16Å; S54-K57 PolarHBondContact O-N 2.98Å; K57-A59 PolarHBondContact O-N 2.94Å; K57-G60 PolarHBondContact O-N 3.43Å; K57-I61 VanDerWaalsContact CA-O 3.26Å; K57-I61 WeakPolarHBondContact CA-O 3.46Å; K57-I61 WeakPolarHBondContact CG-O 3.49Å; K57-I61 PolarHBondContact N-O 3.05Å
58	A	94.2	Very high	96	Very high	79 Å²	79	56 Å²	56	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-31.4	174.8	0	0	0	0	0	112.5	S54 S55 G60	S54-A58 PolarHBondContact O-N 3.24Å; S55-A58 PolarHBondContact O-N 2.84Å; A58-G60 VanDerWaalsContact C-N 3.26Å; A58-G60 PolarHBondContact O-N 3.38Å
59	A	94.9	Very high	96.2	Very high	9 Å²	9	59.1 Å²	59.1	7%	0.074	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.9	172.6	0	0	0	0	0	113.8	F9 L11 L31 R33 S55 L56 K57 L148	F9-A59 HydrophobicContact CD1-CB 4.35Å; L11-A59 HydrophobicContact CD2-CB 4.07Å; L31-A59 HydrophobicContact CD2-CB 3.69Å; R33-A59 VanDerWaalsContact CZ-O 3.29Å; R33-A59 PolarHBondContact NH1-O 3.05Å; R33-A59 PolarHBondContact NH2-O 3.03Å; S55-A59 WeakPolarHBondContact O-CB 3.33Å; S55-A59 PolarHBondContact O-N 2.9Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 WeakPolarHBondContact O-CB 3.38Å; L56-A59 PolarHBondContact O-N 2.84Å; L56-A59 VanDerWaalsContact O-N 3.15Å; K57-A59 PolarHBondContact O-N 2.94Å; A59-L148 HydrophobicContact CB-CD1 4.15Å; A59-L148 HydrophobicContact CB-CD2 4.32Å
60	G	95.1	Very high	96.3	Very high	36 Å²	36	58.6 Å²	58.6	37%	0.371	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	17.6	179.9	0	0	0	0	0	115.6	L56 K57 A58	L56-G60 PolarHBondContact O-N 2.79Å; K57-G60 PolarHBondContact O-N 3.43Å; A58-G60 VanDerWaalsContact C-N 3.26Å; A58-G60 PolarHBondContact O-N 3.38Å
61	I	97.1	Very high	96.5	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.041	29%	0.286	C	S	.	.			trans	-93.7	106.1	168.9	-58	-61.7	0	0	0	108.5	L31 A38 L56 K57 P64 D67 I68	L31-I61 HydrophobicContact CD1-CG1 4.35Å; L31-I61 HydrophobicContact CD2-CD1 4.41Å; L31-I61 HydrophobicContact CD2-CG1 3.82Å; A38-I61 HydrophobicContact CB-CD1 4.1Å; L56-I61 CarbonylContact C-O 3.52Å; L56-I61 HydrophobicContact CB-CB 4.14Å; L56-I61 HydrophobicContact CD2-CG1 4.31Å; L56-I61 WeakPolarHBondContact O-CB 3.32Å; L56-I61 PolarHBondContact O-N 3.13Å; K57-I61 VanDerWaalsContact CA-O 3.26Å; K57-I61 WeakPolarHBondContact CA-O 3.46Å; K57-I61 WeakPolarHBondContact CG-O 3.49Å; K57-I61 PolarHBondContact N-O 3.05Å; I61-P64 HydrophobicContact CG2-CB 4.14Å; I61-P64 HydrophobicContact CG2-CG 3.92Å; I61-D67 HydrophobicContact CG2-CB 3.69Å; I61-I68 HydrophobicContact CD1-CD1 4.31Å; I61-I68 HydrophobicContact CG1-CD1 4.25Å; I61-I68 HydrophobicContact CG2-CD1 4.13Å; I61-I68 HydrophobicContact CG2-CG1 4.39Å
62	H	94.8	Very high	96.6	Very high	141 Å²	141	49.8 Å²	49.8	65%	0.653	27%	0.267	S	S	*	.	S	Bend	trans	-87.6	-37.3	-170.9	-67	-66.5	0	0	0	113	P64 D67	H62-P64 VanDerWaalsContact C-CD 3.45Å; H62-P64 WeakPolarHBondContact O-CD 3.35Å; H62-D67 PolarHBondContact N-OD2 2.84Å
63	E	96.6	Very high	96.7	Very high	103 Å²	103	49.8 Å²	49.8	48%	0.481	27%	0.267	S	S	.	.	S	Bend	trans	-118.6	73.6	176	-64.7	-171.2	81.2	0	0	109.8	E65 K66 D67	E63-E65 PolarHBondContact O-N 2.73Å; E63-K66 HydrophobicContact CB-CB 4.32Å; E63-K66 HydrophobicContact CB-CD 4.46Å; E63-K66 PolarHBondContact O-N 2.87Å; E63-K66 WeakPolarHBondContact OE1-CE 3.39Å; E63-K66 IonicContact OE1-NZ 2.72Å; E63-K66 PolarHBondContact OE1-NZ 2.85Å; E63-K66 IonicContact OE2-NZ 4Å; E63-D67 PolarHBondContact N-OD2 2.98Å; E63-D67 WeakPolarHBondContact O-CB 3.4Å; E63-D67 PolarHBondContact O-N 3.07Å
64	P	96.2	Very high	96.7	Very high	9 Å²	9	47 Å²	47	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-50	-34.8	-174.2	-31.6	36.4	0	0	0	115.8	L53 L56 I61 H62 K66 I68 F87	L53-P64 HydrophobicContact CD2-CB 3.78Å; L53-P64 HydrophobicContact CD2-CG 3.78Å; L56-P64 HydrophobicContact CB-CG 4.14Å; L56-P64 HydrophobicContact CD1-CB 3.95Å; L56-P64 HydrophobicContact CD1-CG 4.21Å; I61-P64 HydrophobicContact CG2-CB 4.14Å; I61-P64 HydrophobicContact CG2-CG 3.92Å; H62-P64 VanDerWaalsContact C-CD 3.45Å; H62-P64 WeakPolarHBondContact O-CD 3.35Å; P64-K66 VanDerWaalsContact C-N 3.29Å; P64-K66 PolarHBondContact O-N 2.87Å; P64-I68 WeakPolarHBondContact O-CB 3.29Å; P64-I68 VanDerWaalsContact O-CG1 3.24Å; P64-I68 WeakPolarHBondContact O-CG1 3.28Å; P64-I68 PolarHBondContact O-N 3.09Å; P64-F87 HydrophobicContact CB-CE1 4.13Å
65	E	95.3	Very high	96.6	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-38.2	177.4	-176.9	173.9	-161.4	0	0	112.2	E63 S88 C89	E63-E65 PolarHBondContact O-N 2.73Å; E65-S88 PolarHBondContact OE1-OG 3.43Å; E65-C89 WeakPolarHBondContact O-CB 3.39Å
66	K	96.2	Very high	96.5	Very high	130 Å²	130	45 Å²	45	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-96.4	-35.3	-176.4	-62.8	177.9	-173.6	161	0	113.5	E63 P64	E63-K66 HydrophobicContact CB-CB 4.32Å; E63-K66 HydrophobicContact CB-CD 4.46Å; E63-K66 PolarHBondContact O-N 2.87Å; E63-K66 WeakPolarHBondContact OE1-CE 3.39Å; E63-K66 IonicContact OE1-NZ 2.72Å; E63-K66 PolarHBondContact OE1-NZ 2.85Å; E63-K66 IonicContact OE2-NZ 4Å; P64-K66 VanDerWaalsContact C-N 3.29Å; P64-K66 PolarHBondContact O-N 2.87Å
67	D	97.3	Very high	96.3	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	26%	0.257	S	S	.	.	H	α-helix	trans	-81.7	-23	-171	-68.5	-17.7	0	0	0	112.4	I61 H62 E63	I61-D67 HydrophobicContact CG2-CB 3.69Å; H62-D67 PolarHBondContact N-OD2 2.84Å; E63-D67 PolarHBondContact N-OD2 2.98Å; E63-D67 WeakPolarHBondContact O-CB 3.4Å; E63-D67 PolarHBondContact O-N 3.07Å
68	I	98.1	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.26	C	S	.	.			trans	-83.8	116	176.8	-62.5	-54.3	0	0	0	109.5	L31 A38 V40 L56 I61 P64 G70 V71 F87	L31-I68 HydrophobicContact CD1-CD1 3.84Å; A38-I68 HydrophobicContact CB-CD1 3.9Å; V40-I68 HydrophobicContact CB-CG2 4.48Å; V40-I68 HydrophobicContact CG2-CD1 3.7Å; V40-I68 HydrophobicContact CG2-CG1 3.88Å; V40-I68 HydrophobicContact CG2-CG2 3.95Å; L56-I68 HydrophobicContact CD2-CD1 4.37Å; I61-I68 HydrophobicContact CD1-CD1 4.31Å; I61-I68 HydrophobicContact CG1-CD1 4.25Å; I61-I68 HydrophobicContact CG2-CD1 4.13Å; I61-I68 HydrophobicContact CG2-CG1 4.39Å; P64-I68 WeakPolarHBondContact O-CB 3.29Å; P64-I68 VanDerWaalsContact O-CG1 3.24Å; P64-I68 WeakPolarHBondContact O-CG1 3.28Å; P64-I68 PolarHBondContact O-N 3.09Å; I68-G70 VanDerWaalsContact CG2-O 3.24Å; I68-G70 WeakPolarHBondContact CG2-O 3.2Å; I68-V71 HydrophobicContact CG2-CG2 4.4Å; I68-F87 HydrophobicContact CB-CD1 3.76Å; I68-F87 HydrophobicContact CB-CE1 4.27Å; I68-F87 HydrophobicContact CG1-CD1 3.76Å; I68-F87 HydrophobicContact CG1-CE1 3.75Å; I68-F87 HydrophobicContact CG2-CD1 3.89Å; I68-F87 HydrophobicContact CG2-CE1 4.41Å; I68-F87 HydrophobicContact CG2-CG 4.26Å
69	K	98	Very high	96.2	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.365	23%	0.232	S	C	.	.			trans	-78.2	-31.9	180	-171.6	179.8	173.8	179.7	0	112.6	A36 A38 A90 D91	A36-K69 WeakPolarHBondContact O-CD 3.4Å; A36-K69 WeakPolarHBondContact O-CE 3.48Å; A36-K69 PolarHBondContact O-NZ 2.85Å; A38-K69 PolarHBondContact O-N 2.88Å; K69-A90 CarbonylContact O-C 3.56Å; K69-D91 HydrophobicContact CG-CB 4.38Å; K69-D91 PolarHBondContact O-N 2.87Å
70	G	98.3	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.3	-179.1	0	0	0	0	0	114.7	A38 Y39 V40 I68 I92	A38-G70 PolarHBondContact O-N 2.79Å; Y39-G70 VanDerWaalsContact CA-O 3.24Å; Y39-G70 WeakPolarHBondContact CA-O 3.45Å; V40-G70 PolarHBondContact N-O 2.83Å; I68-G70 VanDerWaalsContact CG2-O 3.24Å; I68-G70 WeakPolarHBondContact CG2-O 3.2Å; G70-I92 CarbonylContact C-O 3.58Å; G70-I92 WeakPolarHBondContact CA-O 3.35Å
71	V	98.5	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.8	175.9	-172.9	0	0	0	0	109.4	V40 P43 I68 M84 F87 A90 I92 M93 I94	V40-V71 CarbonylContact O-C 3.53Å; V40-V71 WeakPolarHBondContact O-CA 3.43Å; P43-V71 HydrophobicContact CG-CG1 4Å; I68-V71 HydrophobicContact CG2-CG2 4.4Å; V71-M84 HydrophobicContact CG1-CG 4.01Å; V71-F87 HydrophobicContact CG2-CB 3.53Å; V71-F87 HydrophobicContact CG2-CD2 3.49Å; V71-F87 VanDerWaalsContact CG2-CD2 3.49Å; V71-F87 HydrophobicContact CG2-CE2 4.41Å; V71-F87 HydrophobicContact CG2-CG 3.66Å; V71-A90 HydrophobicContact CG2-CB 4.41Å; V71-I92 PolarHBondContact N-O 3.07Å; V71-M93 HydrophobicContact CB-CG 4.45Å; V71-M93 CarbonylContact O-C 3.56Å; V71-M93 VanDerWaalsContact O-CA 3.27Å; V71-M93 WeakPolarHBondContact O-CA 3.44Å; V71-I94 PolarHBondContact O-N 3.09Å
72	I	98.6	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.7	-178.3	-57.3	169.2	0	0	0	108.7	Y39 V40 V41 N42 I94 F120 F124 V126 L139	Y39-I72 HydrophobicContact CD1-CD1 4.2Å; V40-I72 PolarHBondContact O-N 2.88Å; V41-I72 CarbonylContact C-O 3.53Å; V41-I72 WeakPolarHBondContact CA-O 3.41Å; V41-I72 WeakPolarHBondContact CG1-O 3.34Å; N42-I72 PolarHBondContact N-O 3.45Å; I72-I94 CarbonylContact C-O 3.53Å; I72-I94 WeakPolarHBondContact CA-O 3.27Å; I72-I94 HydrophobicContact CB-CB 4.5Å; I72-I94 HydrophobicContact CG1-CB 4.26Å; I72-I94 HydrophobicContact CG1-CD1 4.26Å; I72-I94 HydrophobicContact CG1-CG1 4.43Å; I72-I94 HydrophobicContact CG2-CB 4.16Å; I72-I94 HydrophobicContact CG2-CG2 4.42Å; I72-F120 HydrophobicContact CD1-CE2 3.79Å; I72-F120 HydrophobicContact CD1-CZ 3.97Å; I72-F124 HydrophobicContact CD1-CE2 4.45Å; I72-F124 HydrophobicContact CD1-CZ 3.73Å; I72-V126 HydrophobicContact CD1-CG2 4.02Å; I72-L139 HydrophobicContact CB-CD2 4.02Å; I72-L139 HydrophobicContact CD1-CD2 3.47Å; I72-L139 VanDerWaalsContact CD1-CD2 3.47Å; I72-L139 HydrophobicContact CD1-CG 4.47Å; I72-L139 HydrophobicContact CG1-CD2 4.34Å; I72-L139 HydrophobicContact CG2-CD1 3.84Å; I72-L139 HydrophobicContact CG2-CD2 3.81Å; I72-L139 HydrophobicContact CG2-CG 4.04Å
73	C	98.1	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.2	172.6	-56.9	0	0	0	0	107.8	N42 D75 V81 M84 I94 V95 G96	N42-C73 WeakPolarHBondContact OD1-CA 3.24Å; C73-D75 WeakPolarHBondContact CB-O 3.34Å; C73-D75 PolarHBondContact O-N 3.14Å; C73-D75 VanDerWaalsContact O-N 3.09Å; C73-V81 HydrophobicContact CB-CG1 3.83Å; C73-M84 PolarHBondContact SG-SD 3.11Å; C73-I94 PolarHBondContact N-O 2.81Å; C73-V95 HydrophobicContact CB-CB 4.41Å; C73-V95 HydrophobicContact CB-CG1 4.2Å; C73-V95 HydrophobicContact CB-CG2 4.13Å; C73-V95 WeakPolarHBondContact O-CA 3.46Å; C73-G96 PolarHBondContact O-N 3.15Å
74	T	97	Very high	96.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.182	C	C	.	.	S	Bend	trans	-55.3	-28.5	-179.3	51.8	0	0	0	0	112.6	V41 N42 H80 Q136 V137 L139 G163	V41-T74 HydrophobicContact CG1-CG2 4.19Å; N42-T74 PolarHBondContact ND2-OG1 2.83Å; N42-T74 PolarHBondContact OD1-N 2.79Å; N42-T74 PolarHBondContact OD1-OG1 3Å; T74-H80 PolarHBondContact OG1-ND1 2.86Å; T74-Q136 CarbonylContact O-C 3.58Å; T74-Q136 VanDerWaalsContact O-CA 3.28Å; T74-Q136 WeakPolarHBondContact O-CA 3.41Å; T74-V137 VanDerWaalsContact CB-O 3.3Å; T74-V137 WeakPolarHBondContact CB-O 3.39Å; T74-V137 WeakPolarHBondContact CG2-O 3.31Å; T74-V137 PolarHBondContact O-N 2.9Å; T74-L139 HydrophobicContact CG2-CD1 3.86Å; T74-G163 WeakPolarHBondContact OG1-CA 3.12Å
75	D	94.5	Very high	96.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	21%	0.214	C	C	.	.	S	Bend	trans	-154.8	-176.9	168.5	67.1	34.7	0	0	0	110.6	C73 H77 H80 Q136 N164	C73-D75 WeakPolarHBondContact CB-O 3.34Å; C73-D75 PolarHBondContact O-N 3.14Å; C73-D75 VanDerWaalsContact O-N 3.09Å; D75-H77 PolarHBondContact O-N 2.72Å; D75-H77 WeakPolarHBondContact OD1-CB 3.43Å; D75-H77 IonicContact OD1-CE1 2.74Å; D75-H77 IonicContact OD1-CG 3.12Å; D75-H77 PolarHBondContact OD1-N 2.97Å; D75-H77 IonicContact OD1-ND1 3.73Å; D75-H77 PolarHBondContact OD1-ND1 3.31Å; D75-H77 IonicContact OD2-CE1 3.46Å; D75-H77 IonicContact OD2-ND1 3.48Å; D75-H77 PolarHBondContact OD2-ND1 3.42Å; D75-H80 VanDerWaalsContact CG-ND1 3.32Å; D75-H80 IonicContact OD1-CE1 3.77Å; D75-H80 PolarHBondContact OD1-CE1 2.89Å; D75-H80 IonicContact OD1-CG 3.69Å; D75-H80 IonicContact OD1-ND1 3.94Å; D75-H80 PolarHBondContact OD1-ND1 2.93Å; D75-H80 IonicContact OD2-CE1 3.21Å; D75-H80 IonicContact OD2-ND1 2.79Å; D75-Q136 HydrophobicContact CB-CG 4.02Å; D75-N164 PolarHBondContact OD2-ND2 2.75Å
76	G	94.3	Very high	96.3	Very high	55 Å²	55	33.4 Å²	33.4	57%	0.567	20%	0.204	S	C	*	.	S	Bend	trans	-87.1	13.8	-178.1	0	0	0	0	0	116.4
77	H	92.4	Very high	96.4	Very high	43 Å²	43	27.2 Å²	27.2	20%	0.199	18%	0.177	C	C	.	.			trans	-70.8	147.6	-178.2	-69.8	79.9	0	0	0	112.3	D75 E79 H80 V81 R133	D75-H77 PolarHBondContact O-N 2.72Å; D75-H77 WeakPolarHBondContact OD1-CB 3.43Å; D75-H77 IonicContact OD1-CE1 2.74Å; D75-H77 IonicContact OD1-CG 3.12Å; D75-H77 PolarHBondContact OD1-N 2.97Å; D75-H77 IonicContact OD1-ND1 3.73Å; D75-H77 PolarHBondContact OD1-ND1 3.31Å; D75-H77 IonicContact OD2-CE1 3.46Å; D75-H77 IonicContact OD2-ND1 3.48Å; D75-H77 PolarHBondContact OD2-ND1 3.42Å; H77-E79 HydrophobicContact CB-CG 4.38Å; H77-E79 WeakPolarHBondContact CB-OE2 3.4Å; H77-E79 PolarHBondContact O-N 3.45Å; H77-H80 WeakPolarHBondContact O-CA 3.39Å; H77-H80 WeakPolarHBondContact O-CB 3.17Å; H77-H80 PolarHBondContact O-N 3.5Å; H77-V81 PolarHBondContact O-N 2.79Å; H77-V81 VanDerWaalsContact O-N 3.12Å; H77-R133 VanDerWaalsContact CE1-CD 3.45Å; H77-R133 WeakPolarHBondContact CE1-CD 3.23Å; H77-R133 PolarHBondContact NE2-NH1 3.01Å
78	A	94	Very high	96.2	Very high	69 Å²	69	26.8 Å²	26.8	57%	0.57	18%	0.18	S	C	*	.	H	α-helix	trans	-59.1	-32.2	-174.9	0	0	0	0	0	113.3	S45 H80 G82	S45-A78 WeakPolarHBondContact CA-O 3.29Å; A78-H80 PolarHBondContact O-N 3.34Å; A78-G82 PolarHBondContact O-N 2.89Å
79	E	94.5	Very high	96.1	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-16.9	173.5	64.3	-93.8	-138.7	0	0	113.6	R25 C27 G44 S45 H77 Y217	R25-E79 IonicContact CZ-OE1 3.94Å; R25-E79 IonicContact NE-OE1 2.76Å; R25-E79 IonicContact NH1-OE1 3.95Å; R25-E79 PolarHBondContact NH1-OE1 2.88Å; R25-E79 IonicContact NH1-OE2 3.38Å; C27-E79 HydrophobicContact CB-CG 4.43Å; C27-E79 PolarHBondContact SG-O 3.27Å; G44-E79 CarbonylContact C-O 3.59Å; G44-E79 WeakPolarHBondContact CA-O 3.28Å; S45-E79 PolarHBondContact N-O 2.87Å; H77-E79 HydrophobicContact CB-CG 4.38Å; H77-E79 WeakPolarHBondContact CB-OE2 3.4Å; H77-E79 PolarHBondContact O-N 3.45Å; E79-Y217 PolarHBondContact OE1-OH 2.83Å
80	H	95.8	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-98.7	-38.1	179.9	-63.7	166.4	0	0	0	112.6	C27 N42 P43 T74 D75 H77 A78 N164	C27-H80 WeakPolarHBondContact CB-CD2 3.4Å; N42-H80 CarbonylContact C-O 3.51Å; N42-H80 HydrophobicContact CB-CB 4.27Å; P43-H80 WeakPolarHBondContact CD-O 3.42Å; P43-H80 WeakPolarHBondContact CG-O 3.47Å; T74-H80 PolarHBondContact OG1-ND1 2.86Å; D75-H80 VanDerWaalsContact CG-ND1 3.32Å; D75-H80 IonicContact OD1-CE1 3.77Å; D75-H80 PolarHBondContact OD1-CE1 2.89Å; D75-H80 IonicContact OD1-CG 3.69Å; D75-H80 IonicContact OD1-ND1 3.94Å; D75-H80 PolarHBondContact OD1-ND1 2.93Å; D75-H80 IonicContact OD2-CE1 3.21Å; D75-H80 IonicContact OD2-ND1 2.79Å; H77-H80 WeakPolarHBondContact O-CA 3.39Å; H77-H80 WeakPolarHBondContact O-CB 3.17Å; H77-H80 PolarHBondContact O-N 3.5Å; A78-H80 PolarHBondContact O-N 3.34Å; H80-N164 PolarHBondContact CE1-ND2 3.09Å; H80-N164 VanDerWaalsContact CE1-ND2 3.27Å
81	V	96.8	Very high	96	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-99.3	-12.1	-168.2	-57	0	0	0	0	114.9	C73 H77 C83 M84 V95	C73-V81 HydrophobicContact CB-CG1 3.83Å; H77-V81 PolarHBondContact O-N 2.79Å; H77-V81 VanDerWaalsContact O-N 3.12Å; V81-C83 VanDerWaalsContact C-N 3.28Å; V81-C83 PolarHBondContact O-N 3.4Å; V81-C83 VanDerWaalsContact O-N 3.09Å; V81-M84 HydrophobicContact CB-CG 4.35Å; V81-M84 HydrophobicContact CB-SD 3.69Å; V81-M84 HydrophobicContact CG1-SD 3.98Å; V81-M84 WeakPolarHBondContact O-CB 3.47Å; V81-M84 WeakPolarHBondContact O-CG 3.32Å; V81-M84 PolarHBondContact O-N 3.07Å; V81-M84 VanDerWaalsContact O-N 3.07Å; V81-V95 HydrophobicContact CG1-CG1 3.98Å
82	G	96.4	Very high	96	Very high	17 Å²	17	30.1 Å²	30.1	18%	0.175	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.3	-164.4	0	0	0	0	0	116.1	G44 V46 A78	G44-G82 CarbonylContact O-C 3.43Å; G44-G82 VanDerWaalsContact O-CA 3.24Å; G44-G82 WeakPolarHBondContact O-CA 3.43Å; G44-G82 PolarHBondContact O-N 3.31Å; V46-G82 WeakPolarHBondContact CG1-O 3.22Å; A78-G82 PolarHBondContact O-N 2.89Å
83	C	96.9	Very high	96	Very high	4 Å²	4	32 Å²	32	3%	0.027	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	10	178.4	-75.7	0	0	0	0	114.8	P43 G44 S45 G49 L52 V81 S85 T86	P43-C83 HydrophobicContact CB-CB 3.84Å; P43-C83 HydrophobicContact CG-CB 4.45Å; P43-C83 WeakPolarHBondContact O-CB 3.26Å; G44-C83 PolarHBondContact O-N 2.88Å; G44-C83 VanDerWaalsContact O-N 3.15Å; S45-C83 PolarHBondContact O-SG 3.14Å; G49-C83 WeakPolarHBondContact CA-SG 3.42Å; G49-C83 PolarHBondContact N-SG 3.16Å; L52-C83 HydrophobicContact CD2-CB 3.89Å; V81-C83 VanDerWaalsContact C-N 3.28Å; V81-C83 PolarHBondContact O-N 3.4Å; V81-C83 VanDerWaalsContact O-N 3.09Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 2.8Å; C83-T86 VanDerWaalsContact O-CB 3.22Å; C83-T86 WeakPolarHBondContact O-CB 3.26Å; C83-T86 PolarHBondContact O-N 2.88Å; C83-T86 VanDerWaalsContact O-N 3.13Å; C83-T86 PolarHBondContact O-OG1 3.22Å
84	M	96.5	Very high	96	Very high	28 Å²	28	32 Å²	32	14%	0.138	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-56.1	-38.2	-178.5	-75.1	178.2	68.7	0	0	113.7	P43 V71 C73 V81 T86 F87 M93 V95	P43-M84 HydrophobicContact CG-CG 3.85Å; V71-M84 HydrophobicContact CG1-CG 4.01Å; C73-M84 PolarHBondContact SG-SD 3.11Å; V81-M84 HydrophobicContact CB-CG 4.35Å; V81-M84 HydrophobicContact CB-SD 3.69Å; V81-M84 HydrophobicContact CG1-SD 3.98Å; V81-M84 WeakPolarHBondContact O-CB 3.47Å; V81-M84 WeakPolarHBondContact O-CG 3.32Å; V81-M84 PolarHBondContact O-N 3.07Å; V81-M84 VanDerWaalsContact O-N 3.07Å; M84-T86 PolarHBondContact O-N 3.05Å; M84-F87 PolarHBondContact O-N 2.82Å; M84-M93 HydrophobicContact CE-CB 4.07Å; M84-M93 HydrophobicContact CE-CG 4.28Å; M84-M93 HydrophobicContact CE-SD 3.69Å; M84-V95 HydrophobicContact CE-CG2 3.43Å; M84-V95 VanDerWaalsContact CE-CG2 3.43Å; M84-V95 HydrophobicContact SD-CG2 3.71Å
85	S	95.2	Very high	96	Very high	105 Å²	105	33.7 Å²	33.7	73%	0.734	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-61.9	-14.6	-178.6	57.9	0	0	0	0	114.2	C83 F87	C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 2.8Å; S85-F87 PolarHBondContact O-N 2.86Å
86	T	95.9	Very high	96	Very high	41 Å²	41	33.8 Å²	33.8	25%	0.252	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65.7	-25.2	174.4	-46.8	0	0	0	0	112.4	L53 C83 M84	L53-T86 HydrophobicContact CD1-CG2 4.38Å; L53-T86 HydrophobicContact CD2-CG2 3.71Å; L53-T86 HydrophobicContact CG-CG2 4.28Å; C83-T86 VanDerWaalsContact O-CB 3.22Å; C83-T86 WeakPolarHBondContact O-CB 3.26Å; C83-T86 PolarHBondContact O-N 2.88Å; C83-T86 VanDerWaalsContact O-N 3.13Å; C83-T86 PolarHBondContact O-OG1 3.22Å; M84-T86 PolarHBondContact O-N 3.05Å
87	F	96.7	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.209	C	C	.	.			trans	-106.7	53.2	-172.5	-51.1	-72.8	0	0	0	111.3	V40 P43 L52 L56 P64 I68 V71 M84 S85 C89 A90 M93	V40-F87 HydrophobicContact CB-CE2 4.35Å; V40-F87 HydrophobicContact CB-CZ 4.23Å; V40-F87 HydrophobicContact CG1-CE2 4.2Å; V40-F87 HydrophobicContact CG1-CZ 4.16Å; V40-F87 HydrophobicContact CG2-CE1 4Å; V40-F87 HydrophobicContact CG2-CE2 4.43Å; V40-F87 HydrophobicContact CG2-CZ 3.85Å; P43-F87 HydrophobicContact CB-CE2 3.91Å; L52-F87 HydrophobicContact CD2-CE2 3.94Å; L52-F87 HydrophobicContact CD2-CZ 3.69Å; L52-F87 HydrophobicContact CG-CZ 4.46Å; L56-F87 HydrophobicContact CD1-CE1 3.78Å; L56-F87 HydrophobicContact CD1-CZ 3.86Å; P64-F87 HydrophobicContact CB-CE1 4.13Å; I68-F87 HydrophobicContact CB-CD1 3.76Å; I68-F87 HydrophobicContact CB-CE1 4.27Å; I68-F87 HydrophobicContact CG1-CD1 3.76Å; I68-F87 HydrophobicContact CG1-CE1 3.75Å; I68-F87 HydrophobicContact CG2-CD1 3.89Å; I68-F87 HydrophobicContact CG2-CE1 4.41Å; I68-F87 HydrophobicContact CG2-CG 4.26Å; V71-F87 HydrophobicContact CG2-CB 3.53Å; V71-F87 HydrophobicContact CG2-CD2 3.49Å; V71-F87 VanDerWaalsContact CG2-CD2 3.49Å; V71-F87 HydrophobicContact CG2-CE2 4.41Å; V71-F87 HydrophobicContact CG2-CG 3.66Å; M84-F87 PolarHBondContact O-N 2.82Å; S85-F87 PolarHBondContact O-N 2.86Å; F87-C89 PolarHBondContact O-N 3.4Å; F87-C89 VanDerWaalsContact O-N 3.14Å; F87-A90 HydrophobicContact CB-CB 4.32Å; F87-A90 VanDerWaalsContact O-CB 3.29Å; F87-A90 WeakPolarHBondContact O-CB 3.46Å; F87-A90 PolarHBondContact O-N 3.34Å; F87-A90 VanDerWaalsContact O-N 3.08Å; F87-M93 WeakPolarHBondContact O-CE 3.32Å
88	S	94.2	Very high	96.2	Very high	61 Å²	61	36.5 Å²	36.5	43%	0.427	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.6	-173.4	80.3	0	0	0	0	113.8	E65 R102	E65-S88 PolarHBondContact OE1-OG 3.43Å; S88-R102 PolarHBondContact O-NH1 3.17Å
89	C	95.9	Very high	96.4	Very high	53 Å²	53	33.2 Å²	33.2	36%	0.358	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.3	179.2	-55.9	0	0	0	0	114	E65 F87 R102	E65-C89 WeakPolarHBondContact O-CB 3.39Å; F87-C89 PolarHBondContact O-N 3.4Å; F87-C89 VanDerWaalsContact O-N 3.14Å; C89-R102 PolarHBondContact O-NH1 3.09Å
90	A	97.4	Very high	96.5	Very high	7 Å²	7	35.2 Å²	35.2	6%	0.058	21%	0.209	C	C	.	.			trans	-55.5	142.5	173.4	0	0	0	0	0	111.4	K69 V71 F87 M93	K69-A90 CarbonylContact O-C 3.56Å; V71-A90 HydrophobicContact CG2-CB 4.41Å; F87-A90 HydrophobicContact CB-CB 4.32Å; F87-A90 VanDerWaalsContact O-CB 3.29Å; F87-A90 WeakPolarHBondContact O-CB 3.46Å; F87-A90 PolarHBondContact O-N 3.34Å; F87-A90 VanDerWaalsContact O-N 3.08Å; A90-M93 HydrophobicContact CB-CE 4.31Å
91	D	97.4	Very high	96.6	Very high	83 Å²	83	36.8 Å²	36.8	44%	0.444	22%	0.218	S	C	.	.	S	Bend	trans	-78.4	-30.9	177.9	-71.1	-31.7	0	0	0	111.9	K69 T101 R102	K69-D91 HydrophobicContact CG-CB 4.38Å; K69-D91 PolarHBondContact O-N 2.87Å; D91-T101 WeakPolarHBondContact O-CA 3.33Å; D91-R102 PolarHBondContact O-N 3Å
92	I	98.1	Very high	96.4	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.5	-174	-169.3	169.7	0	0	0	111.7	Y39 G70 V71 I94 I99 Q100 T101 Y118 F120	Y39-I92 HydrophobicContact CE1-CG2 3.94Å; G70-I92 CarbonylContact C-O 3.58Å; G70-I92 WeakPolarHBondContact CA-O 3.35Å; V71-I92 PolarHBondContact N-O 3.07Å; I92-I94 HydrophobicContact CD1-CD1 4.36Å; I92-I94 HydrophobicContact CD1-CG1 4.35Å; I92-I94 HydrophobicContact CG1-CG1 4.28Å; I92-I99 HydrophobicContact CD1-CG2 3.82Å; I92-I99 HydrophobicContact CG1-CG2 4.05Å; I92-Q100 CarbonylContact C-O 3.58Å; I92-Q100 WeakPolarHBondContact CA-O 3.4Å; I92-T101 HydrophobicContact CB-CG2 4.49Å; I92-T101 HydrophobicContact CG1-CG2 4.23Å; I92-Y118 HydrophobicContact CD1-CE1 3.88Å; I92-Y118 VanDerWaalsContact CD1-OH 3.3Å; I92-Y118 WeakPolarHBondContact CD1-OH 2.99Å; I92-F120 HydrophobicContact CD1-CE1 4.19Å; I92-F120 HydrophobicContact CD1-CZ 4.46Å; I92-F120 HydrophobicContact CG2-CE1 4.19Å
93	M	97.9	Very high	96.3	Very high	38 Å²	38	43.8 Å²	43.8	19%	0.187	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.2	169.7	-62.8	-171.5	179.9	0	0	109	V71 M84 F87 A90 Q100	V71-M93 HydrophobicContact CB-CG 4.45Å; V71-M93 CarbonylContact O-C 3.56Å; V71-M93 VanDerWaalsContact O-CA 3.27Å; V71-M93 WeakPolarHBondContact O-CA 3.44Å; M84-M93 HydrophobicContact CE-CB 4.07Å; M84-M93 HydrophobicContact CE-CG 4.28Å; M84-M93 HydrophobicContact CE-SD 3.69Å; F87-M93 WeakPolarHBondContact O-CE 3.32Å; A90-M93 HydrophobicContact CB-CE 4.31Å; M93-Q100 PolarHBondContact N-O 3.12Å; M93-Q100 PolarHBondContact O-N 2.83Å
94	I	97.9	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	174.1	-57.6	178.4	0	0	0	107.4	V71 I72 C73 I92 D98 I99 F111 Y118 F120 V126 V137	V71-I94 PolarHBondContact O-N 3.09Å; I72-I94 CarbonylContact C-O 3.53Å; I72-I94 WeakPolarHBondContact CA-O 3.27Å; I72-I94 HydrophobicContact CB-CB 4.5Å; I72-I94 HydrophobicContact CG1-CB 4.26Å; I72-I94 HydrophobicContact CG1-CD1 4.26Å; I72-I94 HydrophobicContact CG1-CG1 4.43Å; I72-I94 HydrophobicContact CG2-CB 4.16Å; I72-I94 HydrophobicContact CG2-CG2 4.42Å; C73-I94 PolarHBondContact N-O 2.81Å; I92-I94 HydrophobicContact CD1-CD1 4.36Å; I92-I94 HydrophobicContact CD1-CG1 4.35Å; I92-I94 HydrophobicContact CG1-CG1 4.28Å; I94-D98 CarbonylContact C-O 3.58Å; I94-D98 VanDerWaalsContact CA-O 3.29Å; I94-D98 WeakPolarHBondContact CA-O 3.22Å; I94-I99 HydrophobicContact CG1-CG1 4.23Å; I94-I99 HydrophobicContact CG1-CG2 4.21Å; I94-I99 HydrophobicContact CG2-CG1 4.44Å; I94-F111 HydrophobicContact CG2-CE2 4.47Å; I94-Y118 HydrophobicContact CD1-CD1 4.26Å; I94-Y118 HydrophobicContact CD1-CE1 4.48Å; I94-F120 HydrophobicContact CD1-CE2 4.48Å; I94-F120 HydrophobicContact CD1-CZ 4Å; I94-V126 HydrophobicContact CD1-CG2 4.07Å; I94-V137 HydrophobicContact CG2-CG2 4.46Å
95	V	97.1	Very high	96.2	Very high	38 Å²	38	54.8 Å²	54.8	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	105.1	175.2	-176.3	0	0	0	0	109	C73 V81 M84 Y97 D98	C73-V95 HydrophobicContact CB-CB 4.41Å; C73-V95 HydrophobicContact CB-CG1 4.2Å; C73-V95 HydrophobicContact CB-CG2 4.13Å; C73-V95 WeakPolarHBondContact O-CA 3.46Å; V81-V95 HydrophobicContact CG1-CG1 3.98Å; M84-V95 HydrophobicContact CE-CG2 3.43Å; M84-V95 VanDerWaalsContact CE-CG2 3.43Å; M84-V95 HydrophobicContact SD-CG2 3.71Å; V95-Y97 PolarHBondContact O-N 2.91Å; V95-D98 PolarHBondContact N-O 2.7Å; V95-D98 PolarHBondContact O-N 3.48Å
96	G	95.2	Very high	96.3	Very high	4 Å²	4	55.6 Å²	55.6	4%	0.041	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-117	-167.4	0	0	0	0	0	109.4	C73 V137	C73-G96 PolarHBondContact O-N 3.15Å; G96-V137 WeakPolarHBondContact O-CG1 3.49Å
97	Y	95	Very high	96.3	Very high	50 Å²	50	57.1 Å²	57.1	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.9	179.9	-63.7	-9.1	0	0	0	114.7	V95 I99 F111 A112 P130 A135 Q136 V137	V95-Y97 PolarHBondContact O-N 2.91Å; Y97-I99 PolarHBondContact O-N 3.5Å; Y97-F111 HydrophobicContact CD1-CB 3.28Å; Y97-F111 AromaticContact CD1-CD2 3.85Å; Y97-F111 HydrophobicContact CD1-CD2 3.85Å; Y97-F111 AromaticContact CD1-CG 3.82Å; Y97-F111 HydrophobicContact CD1-CG 3.82Å; Y97-F111 HydrophobicContact CD2-CB 4.18Å; Y97-F111 HydrophobicContact CE1-CB 3.38Å; Y97-F111 HydrophobicContact CE1-CG 4.2Å; Y97-F111 HydrophobicContact CE2-CB 4.25Å; Y97-F111 HydrophobicContact CG-CB 3.72Å; Y97-F111 HydrophobicContact CG-CD2 4.2Å; Y97-F111 HydrophobicContact CG-CG 4.39Å; Y97-A112 HydrophobicContact CE2-CB 3.91Å; Y97-P130 WeakPolarHBondContact OH-CB 3.41Å; Y97-P130 VanDerWaalsContact OH-CD 3.31Å; Y97-P130 WeakPolarHBondContact OH-CD 3.49Å; Y97-A135 HydrophobicContact CD1-CB 4.07Å; Y97-A135 HydrophobicContact CD2-CB 3.66Å; Y97-A135 HydrophobicContact CE1-CB 4.26Å; Y97-A135 HydrophobicContact CE2-CB 3.87Å; Y97-A135 HydrophobicContact CG-CB 3.77Å; Y97-Q136 VanDerWaalsContact CE1-O 3.29Å; Y97-Q136 WeakPolarHBondContact CE1-O 3.14Å; Y97-V137 HydrophobicContact CD1-CG1 3.76Å; Y97-V137 HydrophobicContact CE1-CG1 3.9Å
98	D	95.7	Very high	96.1	Very high	104 Å²	104	66.7 Å²	66.7	56%	0.556	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.6	179.5	-67.6	-34.5	0	0	0	109.8	I94 V95	I94-D98 CarbonylContact C-O 3.58Å; I94-D98 VanDerWaalsContact CA-O 3.29Å; I94-D98 WeakPolarHBondContact CA-O 3.22Å; V95-D98 PolarHBondContact N-O 2.7Å; V95-D98 PolarHBondContact O-N 3.48Å
99	I	97.3	Very high	96	Very high	1 Å²	1	66 Å²	66	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.8	172.7	-52.6	-178.1	0	0	0	108.6	I92 I94 Y97 F106 L107 H109 F111 Y118	I92-I99 HydrophobicContact CD1-CG2 3.82Å; I92-I99 HydrophobicContact CG1-CG2 4.05Å; I94-I99 HydrophobicContact CG1-CG1 4.23Å; I94-I99 HydrophobicContact CG1-CG2 4.21Å; I94-I99 HydrophobicContact CG2-CG1 4.44Å; Y97-I99 PolarHBondContact O-N 3.5Å; I99-F106 CarbonylContact O-C 3.58Å; I99-F106 VanDerWaalsContact O-CA 3.28Å; I99-F106 WeakPolarHBondContact O-CA 3.31Å; I99-L107 HydrophobicContact CB-CB 4.11Å; I99-L107 HydrophobicContact CG2-CB 4.06Å; I99-L107 HydrophobicContact CG2-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CG 4.24Å; I99-L107 PolarHBondContact O-N 2.94Å; I99-H109 HydrophobicContact CD1-CB 3.61Å; I99-F111 HydrophobicContact CD1-CE2 3.6Å; I99-F111 HydrophobicContact CD1-CZ 3.94Å; I99-F111 HydrophobicContact CG1-CE2 3.76Å; I99-F111 HydrophobicContact CG1-CZ 4.41Å; I99-Y118 HydrophobicContact CD1-CD2 3.38Å; I99-Y118 HydrophobicContact CD1-CE2 3.62Å; I99-Y118 HydrophobicContact CD1-CG 4.03Å; I99-Y118 HydrophobicContact CG2-CE2 4.47Å
100	Q	97.4	Very high	95.7	Very high	56 Å²	56	67.8 Å²	67.8	26%	0.262	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.6	177.6	-170.6	-177.4	12.5	0	0	110.5	I92 M93 D104 K105 F106	I92-Q100 CarbonylContact C-O 3.58Å; I92-Q100 WeakPolarHBondContact CA-O 3.4Å; M93-Q100 PolarHBondContact N-O 3.12Å; M93-Q100 PolarHBondContact O-N 2.83Å; Q100-D104 PolarHBondContact NE2-OD1 3.18Å; Q100-K105 CarbonylContact C-O 3.54Å; Q100-K105 WeakPolarHBondContact CA-O 3.4Å; Q100-F106 HydrophobicContact CB-CD1 4.28Å; Q100-F106 HydrophobicContact CB-CE1 4.03Å; Q100-F106 HydrophobicContact CB-CZ 4.43Å; Q100-F106 HydrophobicContact CG-CE1 4.16Å; Q100-F106 HydrophobicContact CG-CE2 4.37Å; Q100-F106 HydrophobicContact CG-CZ 4.05Å
101	T	97.1	Very high	95.4	Very high	33 Å²	33	67.5 Å²	67.5	20%	0.202	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	168.9	170.4	61	0	0	0	0	110.6	D91 I92 G103 K105 L107	D91-T101 WeakPolarHBondContact O-CA 3.33Å; I92-T101 HydrophobicContact CB-CG2 4.49Å; I92-T101 HydrophobicContact CG1-CG2 4.23Å; T101-G103 PolarHBondContact O-N 3.3Å; T101-K105 PolarHBondContact N-O 3.11Å; T101-K105 PolarHBondContact O-N 3.23Å; T101-K105 WeakPolarHBondContact OG1-CB 3.36Å; T101-K105 PolarHBondContact OG1-O 3.16Å; T101-L107 HydrophobicContact CG2-CD1 3.8Å; T101-L107 HydrophobicContact CG2-CG 4.16Å
102	R	93.8	Very high	94.7	Very high	137 Å²	137	66.8 Å²	66.8	52%	0.517	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	137.4	-175.6	-62.8	-173.8	68.9	81.1	3	113.2	S88 C89 D91	S88-R102 PolarHBondContact O-NH1 3.17Å; C89-R102 PolarHBondContact O-NH1 3.09Å; D91-R102 PolarHBondContact O-N 3Å
103	G	94.1	Very high	93.6	Very high	65 Å²	65	68.6 Å²	68.6	67%	0.67	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	35.8	-179.5	0	0	0	0	0	113.5	T101 K105	T101-G103 PolarHBondContact O-N 3.3Å; G103-K105 PolarHBondContact O-N 2.99Å
104	D	93.8	Very high	92.3	Very high	125 Å²	125	68.3 Å²	68.3	67%	0.668	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	33.7	175.9	-53.6	-40.7	0	0	0	114.2	Q100 F106	Q100-D104 PolarHBondContact NE2-OD1 3.18Å; D104-F106 WeakPolarHBondContact O-CD2 3.37Å
105	K	97.3	Very high	91.1	Very high	137 Å²	137	75 Å²	75	60%	0.596	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.9	179.7	-68.5	176.7	-171.7	174.1	0	109.9	Q100 T101 G103	Q100-K105 CarbonylContact C-O 3.54Å; Q100-K105 WeakPolarHBondContact CA-O 3.4Å; T101-K105 PolarHBondContact N-O 3.11Å; T101-K105 PolarHBondContact O-N 3.23Å; T101-K105 WeakPolarHBondContact OG1-CB 3.36Å; T101-K105 PolarHBondContact OG1-O 3.16Å; G103-K105 PolarHBondContact O-N 2.99Å
106	F	97	Very high	90.7	Very high	123 Å²	123	76.9 Å²	76.9	54%	0.539	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.9	173.8	-67.9	-94.5	0	0	0	109.9	I99 Q100 D104	I99-F106 CarbonylContact O-C 3.58Å; I99-F106 VanDerWaalsContact O-CA 3.28Å; I99-F106 WeakPolarHBondContact O-CA 3.31Å; Q100-F106 HydrophobicContact CB-CD1 4.28Å; Q100-F106 HydrophobicContact CB-CE1 4.03Å; Q100-F106 HydrophobicContact CB-CZ 4.43Å; Q100-F106 HydrophobicContact CG-CE1 4.16Å; Q100-F106 HydrophobicContact CG-CE2 4.37Å; Q100-F106 HydrophobicContact CG-CZ 4.05Å; D104-F106 WeakPolarHBondContact O-CD2 3.37Å
107	L	95.6	Very high	90.6	Very high	72 Å²	72	78.4 Å²	78.4	38%	0.377	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.5	175.1	-58.4	-179.7	0	0	0	108.9	I99 T101	I99-L107 HydrophobicContact CB-CB 4.11Å; I99-L107 HydrophobicContact CG2-CB 4.06Å; I99-L107 HydrophobicContact CG2-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CG 4.24Å; I99-L107 PolarHBondContact O-N 2.94Å; T101-L107 HydrophobicContact CG2-CD1 3.8Å; T101-L107 HydrophobicContact CG2-CG 4.16Å
108	E	92	Very high	90.7	Very high	202 Å²	202	78.4 Å²	78.4	94%	0.944	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-77.7	122.8	170.1	-66.3	-176.3	178.2	0	0	109.2
109	H	92.7	Very high	90.7	Very high	46 Å²	46	79.7 Å²	79.7	21%	0.213	43%	0.426	C	S	.	.			trans	-141.4	135	172.6	-177.7	-87.2	0	0	0	109.1	I99 F111 T116 P117 Y118	I99-H109 HydrophobicContact CD1-CB 3.61Å; H109-F111 VanDerWaalsContact C-N 3.3Å; H109-F111 HydrophobicContact CB-CE2 4.49Å; H109-F111 AromaticContact CE1-CD1 3.48Å; H109-F111 VanDerWaalsContact CE1-CD1 3.48Å; H109-F111 WeakPolarHBondContact CE1-CD1 3.34Å; H109-F111 AromaticContact CE1-CE1 3.52Å; H109-F111 AromaticContact CE1-CG 3.94Å; H109-F111 AromaticContact ND1-CD1 3.39Å; H109-F111 WeakPolarHBondContact ND1-CD1 3.4Å; H109-F111 AromaticContact ND1-CD2 3.5Å; H109-F111 AromaticContact ND1-CE1 3.54Å; H109-F111 AromaticContact ND1-CE2 3.69Å; H109-F111 AromaticContact ND1-CG 3.38Å; H109-F111 WeakPolarHBondContact ND1-CG 3.41Å; H109-F111 AromaticContact ND1-CZ 3.7Å; H109-F111 PolarHBondContact ND1-N 2.81Å; H109-F111 PolarHBondContact O-N 3.22Å; H109-F111 VanDerWaalsContact O-N 3.09Å; H109-T116 PolarHBondContact CE1-O 3.5Å; H109-T116 PolarHBondContact NE2-O 2.93Å; H109-P117 PolarHBondContact NE2-O 2.95Å; H109-P117 VanDerWaalsContact NE2-O 3.14Å; H109-Y118 AromaticContact CD2-CD2 3.78Å
110	D	90.1	Very high	90.6	Very high	91 Å²	91	81.6 Å²	81.6	49%	0.487	43%	0.434	S	S	.	.			trans	-88	69.7	-177.3	-170.4	-0.3	0	0	0	110.8	A112 C113	D110-A112 PolarHBondContact O-N 3.04Å; D110-A112 PolarHBondContact OD1-N 2.91Å; D110-C113 PolarHBondContact O-SG 3.22Å; D110-C113 PolarHBondContact OD1-N 3.25Å; D110-C113 WeakPolarHBondContact OD2-CB 3.44Å
111	F	91.5	Very high	90.5	Very high	1 Å²	1	80.4 Å²	80.4	0%	0.004	43%	0.43	C	S	.	.			trans	-63.8	-26.1	169.8	-75.6	-61.3	0	0	0	112.2	I94 Y97 I99 H109 C113 G114 Y118 V126 V137	I94-F111 HydrophobicContact CG2-CE2 4.47Å; Y97-F111 HydrophobicContact CD1-CB 3.28Å; Y97-F111 AromaticContact CD1-CD2 3.85Å; Y97-F111 HydrophobicContact CD1-CD2 3.85Å; Y97-F111 AromaticContact CD1-CG 3.82Å; Y97-F111 HydrophobicContact CD1-CG 3.82Å; Y97-F111 HydrophobicContact CD2-CB 4.18Å; Y97-F111 HydrophobicContact CE1-CB 3.38Å; Y97-F111 HydrophobicContact CE1-CG 4.2Å; Y97-F111 HydrophobicContact CE2-CB 4.25Å; Y97-F111 HydrophobicContact CG-CB 3.72Å; Y97-F111 HydrophobicContact CG-CD2 4.2Å; Y97-F111 HydrophobicContact CG-CG 4.39Å; I99-F111 HydrophobicContact CD1-CE2 3.6Å; I99-F111 HydrophobicContact CD1-CZ 3.94Å; I99-F111 HydrophobicContact CG1-CE2 3.76Å; I99-F111 HydrophobicContact CG1-CZ 4.41Å; H109-F111 VanDerWaalsContact C-N 3.3Å; H109-F111 HydrophobicContact CB-CE2 4.49Å; H109-F111 AromaticContact CE1-CD1 3.48Å; H109-F111 VanDerWaalsContact CE1-CD1 3.48Å; H109-F111 WeakPolarHBondContact CE1-CD1 3.34Å; H109-F111 AromaticContact CE1-CE1 3.52Å; H109-F111 AromaticContact CE1-CG 3.94Å; H109-F111 AromaticContact ND1-CD1 3.39Å; H109-F111 WeakPolarHBondContact ND1-CD1 3.4Å; H109-F111 AromaticContact ND1-CD2 3.5Å; H109-F111 AromaticContact ND1-CE1 3.54Å; H109-F111 AromaticContact ND1-CE2 3.69Å; H109-F111 AromaticContact ND1-CG 3.38Å; H109-F111 WeakPolarHBondContact ND1-CG 3.41Å; H109-F111 AromaticContact ND1-CZ 3.7Å; H109-F111 PolarHBondContact ND1-N 2.81Å; H109-F111 PolarHBondContact O-N 3.22Å; H109-F111 VanDerWaalsContact O-N 3.09Å; F111-C113 VanDerWaalsContact C-N 3.31Å; F111-C113 PolarHBondContact O-N 3.15Å; F111-G114 PolarHBondContact O-N 3.2Å; F111-G114 VanDerWaalsContact O-N 3.15Å; F111-Y118 HydrophobicContact CZ-CG 4.45Å; F111-V126 HydrophobicContact CE1-CB 4.12Å; F111-V126 HydrophobicContact CE1-CG1 3.82Å; F111-V126 HydrophobicContact CZ-CB 4.23Å; F111-V126 HydrophobicContact CZ-CG1 3.88Å; F111-V137 HydrophobicContact CD1-CG1 4.06Å; F111-V137 HydrophobicContact CD2-CG1 4.23Å; F111-V137 HydrophobicContact CE1-CG1 4.19Å; F111-V137 HydrophobicContact CE2-CG1 4.31Å; F111-V137 HydrophobicContact CG-CG1 4.08Å; F111-V137 HydrophobicContact CZ-CG1 4.3Å
112	A	81.7	Confident	90.4	Very high	68 Å²	68	86.4 Å²	86.4	56%	0.562	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-30.9	-176.4	0	0	0	0	0	112.6	Y97 D110 G114	Y97-A112 HydrophobicContact CE2-CB 3.91Å; D110-A112 PolarHBondContact O-N 3.04Å; D110-A112 PolarHBondContact OD1-N 2.91Å; A112-G114 PolarHBondContact O-N 3.46Å
113	C	74.8	Confident	90.5	Very high	50 Å²	50	82.3 Å²	82.3	34%	0.338	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.5	175.7	75.8	0	0	0	0	113.6	D110 F111 I115	D110-C113 PolarHBondContact O-SG 3.22Å; D110-C113 PolarHBondContact OD1-N 3.25Å; D110-C113 WeakPolarHBondContact OD2-CB 3.44Å; F111-C113 VanDerWaalsContact C-N 3.31Å; F111-C113 PolarHBondContact O-N 3.15Å; C113-I115 WeakPolarHBondContact O-CG1 3.45Å; C113-I115 PolarHBondContact O-N 2.91Å; C113-I115 PolarHBondContact SG-N 3.27Å
114	G	70.9	Confident	90.7	Very high	32 Å²	32	79.3 Å²	79.3	33%	0.33	41%	0.412	S	S	.	.	S	Bend	trans	64.9	-1.8	-178.9	0	0	0	0	0	115.3	F111 A112	F111-G114 PolarHBondContact O-N 3.2Å; F111-G114 VanDerWaalsContact O-N 3.15Å; A112-G114 PolarHBondContact O-N 3.46Å
115	I	73.1	Confident	90.9	Very high	141 Å²	141	74.5 Å²	74.5	72%	0.723	39%	0.388	S	S	*	.	S	Bend	trans	-91	-43.7	-175.6	-65.8	162.7	0	0	0	110.8	C113 P117	C113-I115 WeakPolarHBondContact O-CG1 3.45Å; C113-I115 PolarHBondContact O-N 2.91Å; C113-I115 PolarHBondContact SG-N 3.27Å; I115-P117 WeakPolarHBondContact O-CD 3.37Å
116	T	88.1	Confident	90.9	Very high	76 Å²	76	68 Å²	68	47%	0.466	36%	0.36	S	S	.	.			trans	-98.7	111.9	-168.7	-50.1	0	0	0	0	110.2	H109	H109-T116 PolarHBondContact CE1-O 3.5Å; H109-T116 PolarHBondContact NE2-O 2.93Å
117	P	93.8	Very high	90.8	Very high	36 Å²	36	62.5 Å²	62.5	23%	0.234	34%	0.336	C	S	.	.			trans	-66	155.5	169.4	27.3	-32.9	0	0	0	111.2	H109 I115 E119 C125 V126 I127	H109-P117 PolarHBondContact NE2-O 2.95Å; H109-P117 VanDerWaalsContact NE2-O 3.14Å; I115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-E119 HydrophobicContact CB-CG 3.98Å; P117-E119 HydrophobicContact CG-CG 3.78Å; P117-E119 VanDerWaalsContact CG-OE1 3.3Å; P117-E119 WeakPolarHBondContact CG-OE1 3.22Å; P117-C125 HydrophobicContact CB-CB 4.04Å; P117-V126 CarbonylContact C-O 3.59Å; P117-V126 WeakPolarHBondContact CA-O 3.24Å; P117-I127 HydrophobicContact CB-CG2 3.76Å
118	Y	96.6	Very high	90.8	Very high	51 Å²	51	59.3 Å²	59.3	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	102.7	158.5	-172.7	-84.1	0	0	0	107.6	I92 I94 I99 H109 F111 F120 C125 V126	I92-Y118 HydrophobicContact CD1-CE1 3.88Å; I92-Y118 VanDerWaalsContact CD1-OH 3.3Å; I92-Y118 WeakPolarHBondContact CD1-OH 2.99Å; I94-Y118 HydrophobicContact CD1-CD1 4.26Å; I94-Y118 HydrophobicContact CD1-CE1 4.48Å; I99-Y118 HydrophobicContact CD1-CD2 3.38Å; I99-Y118 HydrophobicContact CD1-CE2 3.62Å; I99-Y118 HydrophobicContact CD1-CG 4.03Å; I99-Y118 HydrophobicContact CG2-CE2 4.47Å; H109-Y118 AromaticContact CD2-CD2 3.78Å; F111-Y118 HydrophobicContact CZ-CG 4.45Å; Y118-F120 HydrophobicContact CD1-CE1 4.47Å; Y118-F120 HydrophobicContact CD1-CE2 4.25Å; Y118-F120 HydrophobicContact CD1-CZ 4.17Å; Y118-F120 HydrophobicContact CE1-CD1 4.31Å; Y118-F120 AromaticContact CE1-CE1 3.88Å; Y118-F120 HydrophobicContact CE1-CE1 3.88Å; Y118-F120 HydrophobicContact CE1-CE2 4.44Å; Y118-F120 AromaticContact CE1-CZ 3.96Å; Y118-F120 HydrophobicContact CE1-CZ 3.96Å; Y118-C125 CarbonylContact O-C 3.54Å; Y118-C125 WeakPolarHBondContact O-CA 3.34Å; Y118-V126 PolarHBondContact N-O 2.97Å; Y118-V126 PolarHBondContact O-N 2.96Å
119	E	95.3	Very high	90.9	Very high	130 Å²	130	49.7 Å²	49.7	61%	0.607	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.1	-174.2	-62.8	178.6	178	0	0	110.8	P117 C125	P117-E119 HydrophobicContact CB-CG 3.98Å; P117-E119 HydrophobicContact CG-CG 3.78Å; P117-E119 VanDerWaalsContact CG-OE1 3.3Å; P117-E119 WeakPolarHBondContact CG-OE1 3.22Å; E119-C125 HydrophobicContact CB-CB 4.45Å; E119-C125 HydrophobicContact CG-CB 4.01Å
120	F	96.1	Very high	90.7	Very high	41 Å²	41	48.8 Å²	48.8	18%	0.18	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-37.7	165.5	-67.4	-80	0	0	0	110.6	A36 Y39 I72 I92 I94 Y118 F124 V126	A36-F120 HydrophobicContact CB-CB 3.93Å; Y39-F120 HydrophobicContact CD1-CE1 4.38Å; Y39-F120 HydrophobicContact CD1-CZ 4.26Å; Y39-F120 AromaticContact CE1-CD1 3.96Å; Y39-F120 HydrophobicContact CE1-CD1 3.96Å; Y39-F120 AromaticContact CE1-CE1 3.44Å; Y39-F120 HydrophobicContact CE1-CE1 3.44Å; Y39-F120 VanDerWaalsContact CE1-CE1 3.44Å; Y39-F120 HydrophobicContact CE1-CE2 4.48Å; Y39-F120 AromaticContact CE1-CZ 3.74Å; Y39-F120 HydrophobicContact CE1-CZ 3.74Å; Y39-F120 AromaticContact CZ-CD1 3.74Å; Y39-F120 AromaticContact CZ-CE1 3.74Å; Y39-F120 VanDerWaalsContact OH-CD1 3.3Å; Y39-F120 WeakPolarHBondContact OH-CD1 3.34Å; I72-F120 HydrophobicContact CD1-CE2 3.79Å; I72-F120 HydrophobicContact CD1-CZ 3.97Å; I92-F120 HydrophobicContact CD1-CE1 4.19Å; I92-F120 HydrophobicContact CD1-CZ 4.46Å; I92-F120 HydrophobicContact CG2-CE1 4.19Å; I94-F120 HydrophobicContact CD1-CE2 4.48Å; I94-F120 HydrophobicContact CD1-CZ 4Å; Y118-F120 HydrophobicContact CD1-CE1 4.47Å; Y118-F120 HydrophobicContact CD1-CE2 4.25Å; Y118-F120 HydrophobicContact CD1-CZ 4.17Å; Y118-F120 HydrophobicContact CE1-CD1 4.31Å; Y118-F120 AromaticContact CE1-CE1 3.88Å; Y118-F120 HydrophobicContact CE1-CE1 3.88Å; Y118-F120 HydrophobicContact CE1-CE2 4.44Å; Y118-F120 AromaticContact CE1-CZ 3.96Å; Y118-F120 HydrophobicContact CE1-CZ 3.96Å; F120-F124 HydrophobicContact CB-CB 4.45Å; F120-F124 HydrophobicContact CB-CD1 3.64Å; F120-F124 HydrophobicContact CB-CE1 4.16Å; F120-F124 HydrophobicContact CB-CG 4.23Å; F120-F124 WeakPolarHBondContact CB-O 3.34Å; F120-F124 HydrophobicContact CD1-CE1 4.47Å; F120-F124 AromaticContact CD2-CD1 3.48Å; F120-F124 HydrophobicContact CD2-CD1 3.48Å; F120-F124 VanDerWaalsContact CD2-CD1 3.48Å; F120-F124 HydrophobicContact CD2-CD2 4.24Å; F120-F124 AromaticContact CD2-CE1 3.25Å; F120-F124 HydrophobicContact CD2-CE1 3.25Å; F120-F124 HydrophobicContact CD2-CE2 4.06Å; F120-F124 AromaticContact CD2-CG 3.98Å; F120-F124 HydrophobicContact CD2-CG 3.98Å; F120-F124 AromaticContact CD2-CZ 3.58Å; F120-F124 HydrophobicContact CD2-CZ 3.58Å; F120-F124 HydrophobicContact CE2-CD1 4.32Å; F120-F124 AromaticContact CE2-CE1 3.63Å; F120-F124 HydrophobicContact CE2-CE1 3.63Å; F120-F124 HydrophobicContact CE2-CE2 4.25Å; F120-F124 AromaticContact CE2-CZ 3.61Å; F120-F124 HydrophobicContact CE2-CZ 3.61Å; F120-F124 AromaticContact CG-CD1 3.73Å; F120-F124 HydrophobicContact CG-CD1 3.73Å; F120-F124 AromaticContact CG-CE1 3.72Å; F120-F124 HydrophobicContact CG-CE1 3.72Å; F120-F124 HydrophobicContact CG-CG 4.47Å; F120-F124 HydrophobicContact CG-CZ 4.48Å; F120-F124 HydrophobicContact CZ-CE1 4.41Å; F120-F124 PolarHBondContact N-O 3.36Å; F120-V126 HydrophobicContact CD2-CG2 4.47Å; F120-V126 HydrophobicContact CE2-CG2 3.7Å
121	D	95.3	Very high	90.1	Very high	31 Å²	31	44.6 Å²	44.6	17%	0.166	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-172.2	165.1	60.2	38.2	0	0	0	109.8	Y6 N123 F124	Y6-D121 WeakPolarHBondContact CE2-OD1 3.44Å; Y6-D121 VanDerWaalsContact CE2-OD2 3.26Å; Y6-D121 WeakPolarHBondContact CE2-OD2 3.37Å; Y6-D121 VanDerWaalsContact CZ-OD2 3.27Å; Y6-D121 VanDerWaalsContact OH-CG 3.26Å; Y6-D121 PolarHBondContact OH-OD1 3.48Å; Y6-D121 PolarHBondContact OH-OD2 3.48Å; D121-N123 PolarHBondContact O-N 2.87Å; D121-N123 WeakPolarHBondContact OD1-CA 3.45Å; D121-N123 PolarHBondContact OD1-N 3.2Å; D121-F124 PolarHBondContact N-O 3.28Å; D121-F124 PolarHBondContact O-N 3.21Å; D121-F124 PolarHBondContact OD1-N 2.93Å
122	E	94.5	Very high	89	Confident	160 Å²	160	46.6 Å²	46.6	75%	0.748	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.6	-178.7	66.9	-90.2	-161.9	0	0	115.1
123	N	96.6	Very high	88.5	Confident	51 Å²	51	47.6 Å²	47.6	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.5	-176.6	-67.7	-49	0	0	0	112.9	Y6 D121 V141 N142	Y6-N123 HydrophobicContact CD2-CB 3.63Å; Y6-N123 HydrophobicContact CE2-CB 3.75Å; D121-N123 PolarHBondContact O-N 2.87Å; D121-N123 WeakPolarHBondContact OD1-CA 3.45Å; D121-N123 PolarHBondContact OD1-N 3.2Å; N123-V141 CarbonylContact O-C 3.54Å; N123-V141 VanDerWaalsContact O-CA 3.28Å; N123-V141 WeakPolarHBondContact O-CA 3.45Å; N123-N142 HydrophobicContact CB-CB 4.09Å; N123-N142 PolarHBondContact O-N 3.37Å
124	F	97.6	Very high	88.7	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	113.3	-179.9	177.5	-146.8	0	0	0	112.1	Y6 I32 Y39 I72 F120 D121 L139 V141	Y6-F124 HydrophobicContact CD1-CB 4.35Å; Y6-F124 HydrophobicContact CD2-CB 4.48Å; Y6-F124 HydrophobicContact CE1-CB 3.72Å; Y6-F124 AromaticContact CE1-CD1 3.8Å; Y6-F124 HydrophobicContact CE1-CD1 3.8Å; Y6-F124 AromaticContact CE1-CG 3.98Å; Y6-F124 HydrophobicContact CE1-CG 3.98Å; Y6-F124 HydrophobicContact CE2-CB 3.86Å; Y6-F124 VanDerWaalsContact CZ-CB 3.44Å; I32-F124 HydrophobicContact CD1-CD2 4.43Å; I32-F124 HydrophobicContact CD1-CE2 3.67Å; I32-F124 HydrophobicContact CD1-CZ 3.93Å; I32-F124 HydrophobicContact CG2-CE1 4.43Å; I32-F124 HydrophobicContact CG2-CZ 4.42Å; Y39-F124 HydrophobicContact CD1-CE1 4.19Å; Y39-F124 HydrophobicContact CD2-CD1 4.36Å; Y39-F124 AromaticContact CD2-CE1 3.51Å; Y39-F124 HydrophobicContact CD2-CE1 3.51Å; Y39-F124 HydrophobicContact CD2-CZ 4.29Å; Y39-F124 HydrophobicContact CE1-CE1 4.37Å; Y39-F124 HydrophobicContact CE2-CD1 4.3Å; Y39-F124 AromaticContact CE2-CE1 3.71Å; Y39-F124 HydrophobicContact CE2-CE1 3.71Å; Y39-F124 AromaticContact CG-CE1 3.78Å; Y39-F124 HydrophobicContact CG-CE1 3.78Å; Y39-F124 HydrophobicContact CG-CZ 4.15Å; I72-F124 HydrophobicContact CD1-CE2 4.45Å; I72-F124 HydrophobicContact CD1-CZ 3.73Å; F120-F124 HydrophobicContact CB-CB 4.45Å; F120-F124 HydrophobicContact CB-CD1 3.64Å; F120-F124 HydrophobicContact CB-CE1 4.16Å; F120-F124 HydrophobicContact CB-CG 4.23Å; F120-F124 WeakPolarHBondContact CB-O 3.34Å; F120-F124 HydrophobicContact CD1-CE1 4.47Å; F120-F124 AromaticContact CD2-CD1 3.48Å; F120-F124 HydrophobicContact CD2-CD1 3.48Å; F120-F124 VanDerWaalsContact CD2-CD1 3.48Å; F120-F124 HydrophobicContact CD2-CD2 4.24Å; F120-F124 AromaticContact CD2-CE1 3.25Å; F120-F124 HydrophobicContact CD2-CE1 3.25Å; F120-F124 HydrophobicContact CD2-CE2 4.06Å; F120-F124 AromaticContact CD2-CG 3.98Å; F120-F124 HydrophobicContact CD2-CG 3.98Å; F120-F124 AromaticContact CD2-CZ 3.58Å; F120-F124 HydrophobicContact CD2-CZ 3.58Å; F120-F124 HydrophobicContact CE2-CD1 4.32Å; F120-F124 AromaticContact CE2-CE1 3.63Å; F120-F124 HydrophobicContact CE2-CE1 3.63Å; F120-F124 HydrophobicContact CE2-CE2 4.25Å; F120-F124 AromaticContact CE2-CZ 3.61Å; F120-F124 HydrophobicContact CE2-CZ 3.61Å; F120-F124 AromaticContact CG-CD1 3.73Å; F120-F124 HydrophobicContact CG-CD1 3.73Å; F120-F124 AromaticContact CG-CE1 3.72Å; F120-F124 HydrophobicContact CG-CE1 3.72Å; F120-F124 HydrophobicContact CG-CG 4.47Å; F120-F124 HydrophobicContact CG-CZ 4.48Å; F120-F124 HydrophobicContact CZ-CE1 4.41Å; F120-F124 PolarHBondContact N-O 3.36Å; D121-F124 PolarHBondContact N-O 3.28Å; D121-F124 PolarHBondContact O-N 3.21Å; D121-F124 PolarHBondContact OD1-N 2.93Å; F124-L139 HydrophobicContact CE2-CB 4.36Å; F124-L139 HydrophobicContact CE2-CD2 3.84Å; F124-L139 HydrophobicContact CZ-CD2 4.15Å; F124-V141 HydrophobicContact CD2-CG2 3.77Å; F124-V141 HydrophobicContact CE2-CG2 4.16Å
125	C	97.3	Very high	89.5	Confident	24 Å²	24	47.4 Å²	47.4	16%	0.162	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.7	176.3	71.9	0	0	0	0	113.3	P117 Y118 E119 L139 V140	P117-C125 HydrophobicContact CB-CB 4.04Å; Y118-C125 CarbonylContact O-C 3.54Å; Y118-C125 WeakPolarHBondContact O-CA 3.34Å; E119-C125 HydrophobicContact CB-CB 4.45Å; E119-C125 HydrophobicContact CG-CB 4.01Å; C125-L139 WeakPolarHBondContact O-CA 3.32Å; C125-V140 PolarHBondContact N-O 3.03Å; C125-V140 PolarHBondContact O-N 3.39Å
126	V	97.8	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.5	172.6	-174	0	0	0	0	108	I72 I94 F111 P117 Y118 F120 V137 S138 L139	I72-V126 HydrophobicContact CD1-CG2 4.02Å; I94-V126 HydrophobicContact CD1-CG2 4.07Å; F111-V126 HydrophobicContact CE1-CB 4.12Å; F111-V126 HydrophobicContact CE1-CG1 3.82Å; F111-V126 HydrophobicContact CZ-CB 4.23Å; F111-V126 HydrophobicContact CZ-CG1 3.88Å; P117-V126 CarbonylContact C-O 3.59Å; P117-V126 WeakPolarHBondContact CA-O 3.24Å; Y118-V126 PolarHBondContact N-O 2.97Å; Y118-V126 PolarHBondContact O-N 2.96Å; F120-V126 HydrophobicContact CD2-CG2 4.47Å; F120-V126 HydrophobicContact CE2-CG2 3.7Å; V126-V137 HydrophobicContact CG1-CB 3.59Å; V126-V137 HydrophobicContact CG1-CG1 4.05Å; V126-V137 HydrophobicContact CG1-CG2 3.79Å; V126-S138 WeakPolarHBondContact CA-O 3.39Å; V126-L139 HydrophobicContact CG2-CG 4.25Å
127	I	95.9	Very high	90.9	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.4	179.2	52.5	167.5	0	0	0	110.5	P117 T129 V137 S138 V140 L205 I206	P117-I127 HydrophobicContact CB-CG2 3.76Å; I127-T129 HydrophobicContact CD1-CG2 4.05Å; I127-T129 HydrophobicContact CG1-CG2 4.1Å; I127-T129 PolarHBondContact O-N 3.02Å; I127-V137 CarbonylContact O-C 3.54Å; I127-V137 VanDerWaalsContact O-CA 3.23Å; I127-V137 WeakPolarHBondContact O-CA 3.37Å; I127-V137 WeakPolarHBondContact O-CB 3.49Å; I127-S138 WeakPolarHBondContact CG1-O 3.46Å; I127-S138 PolarHBondContact N-O 2.92Å; I127-S138 PolarHBondContact O-N 2.88Å; I127-V140 HydrophobicContact CD1-CG2 3.89Å; I127-V140 HydrophobicContact CG1-CG2 4.21Å; I127-L205 HydrophobicContact CD1-CD2 4.11Å; I127-I206 HydrophobicContact CD1-CD1 3.72Å
128	G	95.3	Very high	91	Very high	4 Å²	4	35.5 Å²	35.5	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.3	170.5	0	0	0	0	0	109.9
129	T	93.4	Very high	91.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.			trans	-128	58.4	175.7	48.5	0	0	0	0	109.7	I127 G131 Q136 V137 S138 L165 S202 I206	I127-T129 HydrophobicContact CD1-CG2 4.05Å; I127-T129 HydrophobicContact CG1-CG2 4.1Å; I127-T129 PolarHBondContact O-N 3.02Å; T129-G131 PolarHBondContact O-N 3.22Å; T129-Q136 CarbonylContact C-O 3.6Å; T129-Q136 VanDerWaalsContact C-O 3.31Å; T129-Q136 PolarHBondContact N-O 3.18Å; T129-Q136 WeakPolarHBondContact O-CB 3.3Å; T129-V137 WeakPolarHBondContact OG1-CA 3.37Å; T129-S138 WeakPolarHBondContact CB-OG 3.45Å; T129-S138 VanDerWaalsContact CG2-OG 3.32Å; T129-S138 WeakPolarHBondContact CG2-OG 3.43Å; T129-S138 PolarHBondContact OG1-N 3.37Å; T129-S138 PolarHBondContact OG1-OG 2.91Å; T129-L165 HydrophobicContact CG2-CD2 4.13Å; T129-S202 VanDerWaalsContact C-OG 3.26Å; T129-S202 WeakPolarHBondContact CA-OG 3.33Å; T129-I206 HydrophobicContact CG2-CD1 4.16Å; T129-I206 HydrophobicContact CG2-CG1 4.16Å
130	P	89.2	Confident	91.2	Very high	28 Å²	28	27.8 Å²	27.8	18%	0.182	15%	0.151	C	C	.	.			trans	-49.3	131.6	-178.1	20.5	-30.1	0	0	0	110.2	Y97 I198 S202	Y97-P130 WeakPolarHBondContact OH-CB 3.41Å; Y97-P130 VanDerWaalsContact OH-CD 3.31Å; Y97-P130 WeakPolarHBondContact OH-CD 3.49Å; P130-I198 HydrophobicContact CB-CG2 3.66Å; P130-I198 HydrophobicContact CG-CG2 3.4Å; P130-S202 WeakPolarHBondContact CD-OG 3.21Å; P130-S202 WeakPolarHBondContact O-CB 3.17Å; P130-S202 PolarHBondContact O-OG 3.17Å
131	G	77.3	Confident	91.3	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.031	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-132.7	-170.1	-171.3	0	0	0	0	0	112.3	T129 R133 G134	T129-G131 PolarHBondContact O-N 3.22Å; G131-R133 PolarHBondContact O-N 3.16Å; G131-G134 PolarHBondContact N-O 3.31Å; G131-G134 PolarHBondContact O-N 2.91Å; G131-G134 VanDerWaalsContact O-N 3.11Å
132	R	69.4	Low	91.4	Very high	43 Å²	43	27.4 Å²	27.4	16%	0.162	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.6	-177.4	-60	-175	-168.9	173	3.1	114.2	D179 N184 W199	R132-D179 PolarHBondContact NH1-O 3.03Å; R132-N184 PolarHBondContact O-ND2 2.89Å; R132-N184 PolarHBondContact O-OD1 3.02Å; R132-W199 HydrophobicContact CG-CB 4.41Å; R132-W199 HydrophobicContact CG-CD2 3.91Å; R132-W199 HydrophobicContact CG-CG 3.79Å
133	R	69.6	Low	91.6	Very high	88 Å²	88	19.8 Å²	19.8	33%	0.332	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	23.6	-174.2	-49.7	176.4	168.1	-83.8	-6.9	113.3	H77 G131 Q136	H77-R133 VanDerWaalsContact CE1-CD 3.45Å; H77-R133 WeakPolarHBondContact CE1-CD 3.23Å; H77-R133 PolarHBondContact NE2-NH1 3.01Å; G131-R133 PolarHBondContact O-N 3.16Å; R133-Q136 VanDerWaalsContact N-NE2 3.18Å
134	G	79.7	Confident	91.6	Very high	32 Å²	32	20.7 Å²	20.7	33%	0.33	12%	0.115	S	C	.	.	B	Isolated β-bridge	trans	92.3	-140.4	174.4	0	0	0	0	0	114.3	G131 Q136	G131-G134 PolarHBondContact N-O 3.31Å; G131-G134 PolarHBondContact O-N 2.91Å; G131-G134 VanDerWaalsContact O-N 3.11Å; G134-Q136 PolarHBondContact O-N 2.92Å; G134-Q136 VanDerWaalsContact O-N 3.07Å
135	A	88.4	Confident	91.5	Very high	47 Å²	47	20.7 Å²	20.7	39%	0.388	12%	0.115	S	C	.	.	S	Bend	trans	-66.3	102.9	-177.6	0	0	0	0	0	110.9	Y97	Y97-A135 HydrophobicContact CD1-CB 4.07Å; Y97-A135 HydrophobicContact CD2-CB 3.66Å; Y97-A135 HydrophobicContact CE1-CB 4.26Å; Y97-A135 HydrophobicContact CE2-CB 3.87Å; Y97-A135 HydrophobicContact CG-CB 3.77Å
136	Q	93.1	Very high	91.5	Very high	3 Å²	3	21 Å²	21	1%	0.014	12%	0.115	C	C	.	.			trans	-125	145.9	179.1	-60.2	-179.9	35.2	0	0	109.6	T74 D75 Y97 T129 R133 G134	T74-Q136 CarbonylContact O-C 3.58Å; T74-Q136 VanDerWaalsContact O-CA 3.28Å; T74-Q136 WeakPolarHBondContact O-CA 3.41Å; D75-Q136 HydrophobicContact CB-CG 4.02Å; Y97-Q136 VanDerWaalsContact CE1-O 3.29Å; Y97-Q136 WeakPolarHBondContact CE1-O 3.14Å; T129-Q136 CarbonylContact C-O 3.6Å; T129-Q136 VanDerWaalsContact C-O 3.31Å; T129-Q136 PolarHBondContact N-O 3.18Å; T129-Q136 WeakPolarHBondContact O-CB 3.3Å; R133-Q136 VanDerWaalsContact N-NE2 3.18Å; G134-Q136 PolarHBondContact O-N 2.92Å; G134-Q136 VanDerWaalsContact O-N 3.07Å
137	V	96.5	Very high	91.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.3	172.4	-64	0	0	0	0	110.8	T74 I94 G96 Y97 F111 V126 I127 T129	T74-V137 VanDerWaalsContact CB-O 3.3Å; T74-V137 WeakPolarHBondContact CB-O 3.39Å; T74-V137 WeakPolarHBondContact CG2-O 3.31Å; T74-V137 PolarHBondContact O-N 2.9Å; I94-V137 HydrophobicContact CG2-CG2 4.46Å; G96-V137 WeakPolarHBondContact O-CG1 3.49Å; Y97-V137 HydrophobicContact CD1-CG1 3.76Å; Y97-V137 HydrophobicContact CE1-CG1 3.9Å; F111-V137 HydrophobicContact CD1-CG1 4.06Å; F111-V137 HydrophobicContact CD2-CG1 4.23Å; F111-V137 HydrophobicContact CE1-CG1 4.19Å; F111-V137 HydrophobicContact CE2-CG1 4.31Å; F111-V137 HydrophobicContact CG-CG1 4.08Å; F111-V137 HydrophobicContact CZ-CG1 4.3Å; V126-V137 HydrophobicContact CG1-CB 3.59Å; V126-V137 HydrophobicContact CG1-CG1 4.05Å; V126-V137 HydrophobicContact CG1-CG2 3.79Å; I127-V137 CarbonylContact O-C 3.54Å; I127-V137 VanDerWaalsContact O-CA 3.23Å; I127-V137 WeakPolarHBondContact O-CA 3.37Å; I127-V137 WeakPolarHBondContact O-CB 3.49Å; T129-V137 WeakPolarHBondContact OG1-CA 3.37Å
138	S	96.8	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.7	169.5	-65.1	0	0	0	0	108.8	V126 I127 T129 V161	V126-S138 WeakPolarHBondContact CA-O 3.39Å; I127-S138 WeakPolarHBondContact CG1-O 3.46Å; I127-S138 PolarHBondContact N-O 2.92Å; I127-S138 PolarHBondContact O-N 2.88Å; T129-S138 WeakPolarHBondContact CB-OG 3.45Å; T129-S138 VanDerWaalsContact CG2-OG 3.32Å; T129-S138 WeakPolarHBondContact CG2-OG 3.43Å; T129-S138 PolarHBondContact OG1-N 3.37Å; T129-S138 PolarHBondContact OG1-OG 2.91Å; S138-V161 WeakPolarHBondContact CA-O 3.46Å
139	L	98.2	Very high	90.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.9	176.1	-56.6	79	0	0	0	108.3	I32 V41 I72 T74 F124 C125 V126 A160 V161	I32-L139 HydrophobicContact CD1-CD2 3.71Å; V41-L139 HydrophobicContact CB-CD2 4.45Å; V41-L139 HydrophobicContact CG1-CD1 3.64Å; V41-L139 HydrophobicContact CG1-CD2 4.07Å; V41-L139 HydrophobicContact CG2-CD2 3.5Å; I72-L139 HydrophobicContact CB-CD2 4.02Å; I72-L139 HydrophobicContact CD1-CD2 3.47Å; I72-L139 VanDerWaalsContact CD1-CD2 3.47Å; I72-L139 HydrophobicContact CD1-CG 4.47Å; I72-L139 HydrophobicContact CG1-CD2 4.34Å; I72-L139 HydrophobicContact CG2-CD1 3.84Å; I72-L139 HydrophobicContact CG2-CD2 3.81Å; I72-L139 HydrophobicContact CG2-CG 4.04Å; T74-L139 HydrophobicContact CG2-CD1 3.86Å; F124-L139 HydrophobicContact CE2-CB 4.36Å; F124-L139 HydrophobicContact CE2-CD2 3.84Å; F124-L139 HydrophobicContact CZ-CD2 4.15Å; C125-L139 WeakPolarHBondContact O-CA 3.32Å; V126-L139 HydrophobicContact CG2-CG 4.25Å; L139-A160 CarbonylContact O-C 3.31Å; L139-A160 WeakPolarHBondContact O-CA 3.32Å; L139-V161 HydrophobicContact CB-CB 4.31Å; L139-V161 HydrophobicContact CD1-CB 4.31Å; L139-V161 PolarHBondContact N-O 3.27Å; L139-V161 PolarHBondContact O-N 3.19Å
140	V	97.8	Very high	89.9	Confident	18 Å²	18	35.9 Å²	35.9	11%	0.109	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.9	175	-179.1	0	0	0	0	107.8	C125 I127 C158 I206	C125-V140 PolarHBondContact N-O 3.03Å; C125-V140 PolarHBondContact O-N 3.39Å; I127-V140 HydrophobicContact CD1-CG2 3.89Å; I127-V140 HydrophobicContact CG1-CG2 4.21Å; V140-C158 VanDerWaalsContact CG1-SG 3.56Å; V140-I206 HydrophobicContact CG2-CD1 4.45Å
141	V	98.3	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.6	-176.2	-170.1	0	0	0	0	109.8	Y6 V8 I32 N123 F124 I159	Y6-V141 HydrophobicContact CD1-CG1 4.08Å; Y6-V141 HydrophobicContact CG-CG1 3.85Å; V8-V141 HydrophobicContact CG2-CB 3.84Å; V8-V141 HydrophobicContact CG2-CG1 3.71Å; V8-V141 HydrophobicContact CG2-CG2 4.13Å; I32-V141 HydrophobicContact CD1-CG2 3.68Å; I32-V141 HydrophobicContact CG1-CG2 4.26Å; I32-V141 HydrophobicContact CG2-CG1 4.32Å; I32-V141 HydrophobicContact CG2-CG2 4.31Å; N123-V141 CarbonylContact O-C 3.54Å; N123-V141 VanDerWaalsContact O-CA 3.28Å; N123-V141 WeakPolarHBondContact O-CA 3.45Å; F124-V141 HydrophobicContact CD2-CG2 3.77Å; F124-V141 HydrophobicContact CE2-CG2 4.16Å; V141-I159 PolarHBondContact N-O 3.47Å; V141-I159 PolarHBondContact O-N 2.85Å
142	N	97.6	Very high	90.3	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.1	166.7	-67.8	-44.1	0	0	0	108.7	N123	N123-N142 HydrophobicContact CB-CB 4.09Å; N123-N142 PolarHBondContact O-N 3.37Å
143	G	96.9	Very high	91.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-160.3	-176.1	0	0	0	0	0	113.6	Y6 S156 C157 I159	Y6-G143 VanDerWaalsContact O-CA 3.29Å; Y6-G143 WeakPolarHBondContact O-CA 3.31Å; G143-S156 CarbonylContact O-C 3.56Å; G143-S156 WeakPolarHBondContact O-CA 3.46Å; G143-C157 PolarHBondContact N-O 2.93Å; G143-C157 PolarHBondContact O-N 3.33Å; G143-C157 VanDerWaalsContact O-O 3.08Å; G143-I159 WeakPolarHBondContact O-CD1 3.45Å
144	R	96.8	Very high	92.2	Very high	70 Å²	70	40.7 Å²	40.7	26%	0.264	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.8	-179.6	-66.7	178.8	-70.5	-142.5	-15.6	111.7	D5 Y6 S7 V8 R154	D5-R144 IonicContact OD2-NH2 3.94Å; Y6-R144 PolarHBondContact O-N 3.26Å; S7-R144 CarbonylContact C-O 3.04Å; S7-R144 WeakPolarHBondContact CA-O 3.32Å; V8-R144 PolarHBondContact N-O 3.45Å; R144-R154 WeakPolarHBondContact CG-O 3.49Å
145	L	96.8	Very high	92.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126	170.5	179.8	60.3	0	0	0	109.9	V8 R154 I159 W212 V214 P220	V8-L145 HydrophobicContact CB-CD1 4.28Å; V8-L145 HydrophobicContact CG1-CD1 4.13Å; V8-L145 WeakPolarHBondContact O-CA 3.47Å; L145-R154 HydrophobicContact CB-CB 4.35Å; L145-R154 HydrophobicContact CB-CG 4.3Å; L145-R154 PolarHBondContact O-N 3.06Å; L145-I159 HydrophobicContact CB-CD1 3.8Å; L145-I159 HydrophobicContact CB-CG1 4.28Å; L145-W212 HydrophobicContact CD2-CB 4.35Å; L145-W212 HydrophobicContact CD2-CD2 4.23Å; L145-W212 HydrophobicContact CD2-CE3 4.04Å; L145-W212 HydrophobicContact CD2-CG 4.35Å; L145-V214 HydrophobicContact CD1-CG2 4.31Å; L145-P220 HydrophobicContact CD1-CG 4.35Å; L145-P220 HydrophobicContact CD2-CB 3.55Å; L145-P220 HydrophobicContact CD2-CG 3.94Å
146	I	96	Very high	93	Very high	30 Å²	30	49 Å²	49	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.4	-176.5	-56.1	176.2	0	0	0	109.4	V8 F9 L10 E152 C153	V8-I146 PolarHBondContact O-N 2.8Å; F9-I146 WeakPolarHBondContact CA-O 3.44Å; F9-I146 HydrophobicContact CD1-CB 3.87Å; F9-I146 HydrophobicContact CD1-CD1 4.16Å; F9-I146 HydrophobicContact CD1-CG2 3.83Å; F9-I146 HydrophobicContact CE1-CB 4.17Å; F9-I146 HydrophobicContact CE1-CD1 3.6Å; F9-I146 HydrophobicContact CE1-CG1 4.47Å; F9-I146 HydrophobicContact CE1-CG2 4Å; F9-I146 HydrophobicContact CE2-CD1 4.49Å; F9-I146 HydrophobicContact CG-CB 4.46Å; F9-I146 HydrophobicContact CZ-CD1 3.79Å; L10-I146 PolarHBondContact N-O 2.77Å; I146-E152 WeakPolarHBondContact CA-O 3.28Å; I146-C153 HydrophobicContact CG1-CB 4.39Å
147	E	91.2	Very high	93.1	Very high	25 Å²	25	49.9 Å²	49.9	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.2	176.6	-70.3	-179.7	-138.6	0	0	110.1	K149 T150 G151 E152 R154	E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 PolarHBondContact O-N 3.34Å; E147-T150 VanDerWaalsContact CB-OG1 3.29Å; E147-T150 WeakPolarHBondContact CB-OG1 3.3Å; E147-T150 PolarHBondContact O-N 2.81Å; E147-T150 PolarHBondContact O-OG1 2.94Å; E147-G151 WeakPolarHBondContact O-CA 3.43Å; E147-G151 PolarHBondContact O-N 2.89Å; E147-E152 PolarHBondContact N-O 2.94Å; E147-R154 IonicContact OE1-CZ 3.61Å; E147-R154 IonicContact OE1-NE 3.86Å; E147-R154 IonicContact OE1-NH2 3.69Å; E147-R154 PolarHBondContact OE1-NH2 3.4Å
148	L	86.7	Confident	93.2	Very high	54 Å²	54	50.5 Å²	50.5	28%	0.283	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.4	-173.8	-72	-177.2	0	0	0	113.7	F9 L11 A59	F9-L148 HydrophobicContact CD1-CD2 3.9Å; L11-L148 HydrophobicContact CD2-CD1 3.7Å; A59-L148 HydrophobicContact CB-CD1 4.15Å; A59-L148 HydrophobicContact CB-CD2 4.32Å
149	K	84.2	Confident	93.3	Very high	156 Å²	156	50.5 Å²	50.5	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-39.5	-177.7	-68.8	-178.2	-177.3	171.7	0	112.6	E147	E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 PolarHBondContact O-N 3.34Å
150	T	86.9	Confident	93.3	Very high	91 Å²	91	50.5 Å²	50.5	56%	0.558	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-21.7	-175.6	58.7	0	0	0	0	112.2	E147 E152	E147-T150 VanDerWaalsContact CB-OG1 3.29Å; E147-T150 WeakPolarHBondContact CB-OG1 3.3Å; E147-T150 PolarHBondContact O-N 2.81Å; E147-T150 PolarHBondContact O-OG1 2.94Å; T150-E152 PolarHBondContact O-N 2.92Å; T150-E152 WeakPolarHBondContact OG1-CB 3.4Å; T150-E152 PolarHBondContact OG1-N 2.92Å
151	G	86.3	Confident	93.3	Very high	58 Å²	58	49.8 Å²	49.8	60%	0.598	27%	0.271	S	S	*	.			trans	72.4	7.9	-169	0	0	0	0	0	113.2	E147 C153	E147-G151 WeakPolarHBondContact O-CA 3.43Å; E147-G151 PolarHBondContact O-N 2.89Å; G151-C153 PolarHBondContact O-N 2.84Å
152	E	88.7	Confident	93.2	Very high	86 Å²	86	49.8 Å²	49.8	40%	0.402	27%	0.271	S	S	.	.			trans	-66	124.9	177.4	-170.9	178.9	159.7	0	0	109.5	I146 E147 T150 R154	I146-E152 WeakPolarHBondContact CA-O 3.28Å; E147-E152 PolarHBondContact N-O 2.94Å; T150-E152 PolarHBondContact O-N 2.92Å; T150-E152 WeakPolarHBondContact OG1-CB 3.4Å; T150-E152 PolarHBondContact OG1-N 2.92Å; E152-R154 IonicContact OE1-CZ 2.97Å; E152-R154 IonicContact OE1-NH1 3.2Å; E152-R154 PolarHBondContact OE1-NH1 3.49Å; E152-R154 IonicContact OE1-NH2 3.56Å; E152-R154 PolarHBondContact OE1-NH2 3.01Å; E152-R154 IonicContact OE2-NH2 2.78Å
153	C	90	Very high	93	Very high	74 Å²	74	46.8 Å²	46.8	50%	0.5	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.6	173.9	179.8	0	0	0	0	108	I146 G151	I146-C153 HydrophobicContact CG1-CB 4.39Å; G151-C153 PolarHBondContact O-N 2.84Å
154	R	90.3	Very high	92.7	Very high	45 Å²	45	47.1 Å²	47.1	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	161.4	179.2	-55	-172.8	-169.4	-80.1	-4.2	110.7	R144 L145 E147 E152 W212	R144-R154 WeakPolarHBondContact CG-O 3.49Å; L145-R154 HydrophobicContact CB-CB 4.35Å; L145-R154 HydrophobicContact CB-CG 4.3Å; L145-R154 PolarHBondContact O-N 3.06Å; E147-R154 IonicContact OE1-CZ 3.61Å; E147-R154 IonicContact OE1-NE 3.86Å; E147-R154 IonicContact OE1-NH2 3.69Å; E147-R154 PolarHBondContact OE1-NH2 3.4Å; E152-R154 IonicContact OE1-CZ 2.97Å; E152-R154 IonicContact OE1-NH1 3.2Å; E152-R154 PolarHBondContact OE1-NH1 3.49Å; E152-R154 IonicContact OE1-NH2 3.56Å; E152-R154 PolarHBondContact OE1-NH2 3.01Å; E152-R154 IonicContact OE2-NH2 2.78Å; R154-W212 VanDerWaalsContact CZ-CZ2 3.45Å
155	E	90.5	Very high	92.5	Very high	175 Å²	175	43.8 Å²	43.8	82%	0.818	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	162.9	169.2	-65.6	-176.1	166.4	0	0	111	C157	E155-C157 PolarHBondContact O-N 3.26Å; E155-C157 PolarHBondContact O-SG 2.93Å; E155-C157 VanDerWaalsContact O-SG 3.4Å
156	S	93.8	Very high	92.3	Very high	79 Å²	79	43.8 Å²	43.8	55%	0.552	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.1	177.9	-162.4	0	0	0	0	110.2	G143	G143-S156 CarbonylContact O-C 3.56Å; G143-S156 WeakPolarHBondContact O-CA 3.46Å
157	C	95.8	Very high	92	Very high	21 Å²	21	44.4 Å²	44.4	14%	0.142	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	171.3	-176	56.3	0	0	0	0	110.9	G143 E155 D211 W212	G143-C157 PolarHBondContact N-O 2.93Å; G143-C157 PolarHBondContact O-N 3.33Å; G143-C157 VanDerWaalsContact O-O 3.08Å; E155-C157 PolarHBondContact O-N 3.26Å; E155-C157 PolarHBondContact O-SG 2.93Å; E155-C157 VanDerWaalsContact O-SG 3.4Å; C157-D211 HydrophobicContact CB-CB 3.91Å; C157-D211 WeakPolarHBondContact CB-OD2 3.35Å; C157-W212 VanDerWaalsContact SG-CD1 3.57Å
158	C	97.4	Very high	92	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.9	173.5	-175.7	0	0	0	0	110.2	V140 R209 D211 W212	V140-C158 VanDerWaalsContact CG1-SG 3.56Å; C158-R209 WeakPolarHBondContact CB-O 3.44Å; C158-R209 PolarHBondContact SG-O 3.24Å; C158-D211 PolarHBondContact N-OD2 2.78Å; C158-D211 PolarHBondContact O-N 2.98Å; C158-W212 PolarHBondContact O-N 3.41Å; C158-W212 VanDerWaalsContact O-N 3.11Å
159	I	98.4	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	-175.9	-57.9	150.4	0	0	0	108.6	V8 V141 G143 L145 W212 V214	V8-I159 HydrophobicContact CB-CD1 4.12Å; V8-I159 HydrophobicContact CB-CG2 4.48Å; V8-I159 HydrophobicContact CG1-CG2 4.21Å; V8-I159 HydrophobicContact CG2-CB 4.4Å; V8-I159 HydrophobicContact CG2-CD1 3.78Å; V8-I159 HydrophobicContact CG2-CG2 4.34Å; V141-I159 PolarHBondContact N-O 3.47Å; V141-I159 PolarHBondContact O-N 2.85Å; G143-I159 WeakPolarHBondContact O-CD1 3.45Å; L145-I159 HydrophobicContact CB-CD1 3.8Å; L145-I159 HydrophobicContact CB-CG1 4.28Å; I159-W212 CarbonylContact C-O 3.59Å; I159-W212 WeakPolarHBondContact CA-O 3.5Å; I159-W212 HydrophobicContact CG1-CB 4.34Å; I159-V214 HydrophobicContact CG2-CG2 4.16Å
160	A	98.3	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.9	172.6	0	0	0	0	0	111.3	L139 T162 I206 A210 W212 V213 V214	L139-A160 CarbonylContact O-C 3.31Å; L139-A160 WeakPolarHBondContact O-CA 3.32Å; A160-T162 HydrophobicContact CB-CG2 3.79Å; A160-I206 HydrophobicContact CB-CD1 4.18Å; A160-I206 HydrophobicContact CB-CG2 3.61Å; A160-A210 HydrophobicContact CB-CB 3.64Å; A160-W212 PolarHBondContact N-O 2.97Å; A160-V213 HydrophobicContact CB-CG2 4.4Å; A160-V213 CarbonylContact O-C 3.55Å; A160-V213 WeakPolarHBondContact O-CA 3.32Å; A160-V214 PolarHBondContact O-N 2.91Å
161	V	98.3	Very high	92.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.5	168.8	-174.3	0	0	0	0	107.9	V8 V30 V41 S138 L139 V214	V8-V161 HydrophobicContact CG1-CG2 4.3Å; V30-V161 HydrophobicContact CG1-CG2 4.22Å; V30-V161 HydrophobicContact CG2-CG1 4.1Å; V30-V161 HydrophobicContact CG2-CG2 4.49Å; V41-V161 HydrophobicContact CB-CG1 4.43Å; V41-V161 HydrophobicContact CG1-CG1 3.82Å; S138-V161 WeakPolarHBondContact CA-O 3.46Å; L139-V161 HydrophobicContact CB-CB 4.31Å; L139-V161 HydrophobicContact CD1-CB 4.31Å; L139-V161 PolarHBondContact N-O 3.27Å; L139-V161 PolarHBondContact O-N 3.19Å; V161-V214 HydrophobicContact CB-CB 4.45Å; V161-V214 HydrophobicContact CG1-CB 4.32Å; V161-V214 HydrophobicContact CG2-CB 4.16Å; V161-V214 HydrophobicContact CG2-CG2 4.17Å
162	T	96.2	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-8	-156.4	61	0	0	0	0	115.1	A160 N164 L165 F166 I206 V213 V214	A160-T162 HydrophobicContact CB-CG2 3.79Å; T162-N164 PolarHBondContact O-N 3.18Å; T162-L165 HydrophobicContact CG2-CD2 4.48Å; T162-L165 VanDerWaalsContact O-CB 3.28Å; T162-L165 WeakPolarHBondContact O-CB 3.36Å; T162-L165 PolarHBondContact O-N 3.33Å; T162-L165 VanDerWaalsContact O-N 3.16Å; T162-F166 HydrophobicContact CG2-CD2 3.97Å; T162-F166 HydrophobicContact CG2-CE2 4.4Å; T162-I206 HydrophobicContact CG2-CG1 4.37Å; T162-I206 HydrophobicContact CG2-CG2 3.87Å; T162-V213 HydrophobicContact CG2-CG1 3.77Å; T162-V214 PolarHBondContact N-O 2.78Å; T162-V214 PolarHBondContact OG1-O 2.82Å; T162-V214 VanDerWaalsContact OG1-O 3.06Å
163	G	93.3	Very high	91.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.3	-136.1	-176.2	0	0	0	0	0	111.3	T74 L165 A216	T74-G163 WeakPolarHBondContact OG1-CA 3.12Å; G163-L165 PolarHBondContact O-N 3.3Å; G163-L165 VanDerWaalsContact O-N 3.14Å; G163-A216 VanDerWaalsContact O-CB 3.32Å; G163-A216 WeakPolarHBondContact O-CB 3.44Å; G163-A216 PolarHBondContact O-N 2.79Å
164	N	91.5	Very high	91	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.048	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	1.9	-176.6	-76.3	-39.7	0	0	0	115.1	D75 H80 T162 F166	D75-N164 PolarHBondContact OD2-ND2 2.75Å; H80-N164 PolarHBondContact CE1-ND2 3.09Å; H80-N164 VanDerWaalsContact CE1-ND2 3.27Å; T162-N164 PolarHBondContact O-N 3.18Å; N164-F166 VanDerWaalsContact C-N 3.32Å
165	L	92.1	Very high	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-38.7	174.5	-178.7	69.8	0	0	0	111.7	T129 T162 G163 W199 R203 I206	T129-L165 HydrophobicContact CG2-CD2 4.13Å; T162-L165 HydrophobicContact CG2-CD2 4.48Å; T162-L165 VanDerWaalsContact O-CB 3.28Å; T162-L165 WeakPolarHBondContact O-CB 3.36Å; T162-L165 PolarHBondContact O-N 3.33Å; T162-L165 VanDerWaalsContact O-N 3.16Å; G163-L165 PolarHBondContact O-N 3.3Å; G163-L165 VanDerWaalsContact O-N 3.14Å; L165-W199 PolarHBondContact O-NE1 3.22Å; L165-R203 HydrophobicContact CD1-CG 3.74Å; L165-R203 HydrophobicContact CG-CG 3.96Å; L165-R203 PolarHBondContact O-NH1 2.89Å; L165-I206 HydrophobicContact CD2-CB 4.39Å; L165-I206 HydrophobicContact CD2-CG1 3.6Å
166	F	92.2	Very high	87.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-121.9	118.1	169.2	-66.6	-86.1	0	0	0	109	T162 N164 D171 A172 R203 I206 L207 V213 P215 A216 F221	T162-F166 HydrophobicContact CG2-CD2 3.97Å; T162-F166 HydrophobicContact CG2-CE2 4.4Å; N164-F166 VanDerWaalsContact C-N 3.32Å; F166-D171 WeakPolarHBondContact CA-OD2 3.33Å; F166-A172 HydrophobicContact CD1-CB 3.91Å; F166-A172 HydrophobicContact CE1-CB 4.26Å; F166-R203 VanDerWaalsContact CD1-CZ 3.5Å; F166-R203 HydrophobicContact CE1-CB 4.32Å; F166-R203 HydrophobicContact CE1-CG 4.1Å; F166-R203 HydrophobicContact CE2-CB 4.46Å; F166-R203 HydrophobicContact CE2-CG 4.22Å; F166-R203 HydrophobicContact CZ-CB 3.76Å; F166-R203 HydrophobicContact CZ-CG 3.76Å; F166-I206 HydrophobicContact CE2-CB 4.05Å; F166-I206 HydrophobicContact CE2-CG2 3.87Å; F166-L207 HydrophobicContact CE1-CD1 4.25Å; F166-L207 HydrophobicContact CE1-CD2 4.13Å; F166-L207 HydrophobicContact CE1-CG 4.29Å; F166-L207 HydrophobicContact CZ-CD1 4.07Å; F166-L207 HydrophobicContact CZ-CD2 3.9Å; F166-L207 HydrophobicContact CZ-CG 3.77Å; F166-V213 HydrophobicContact CB-CG1 4.34Å; F166-V213 HydrophobicContact CD2-CG1 4.03Å; F166-V213 HydrophobicContact CG-CG1 4.29Å; F166-P215 HydrophobicContact CB-CB 4.17Å; F166-P215 CarbonylContact O-C 3.58Å; F166-P215 WeakPolarHBondContact O-CA 2.91Å; F166-P215 WeakPolarHBondContact O-CB 3.4Å; F166-A216 PolarHBondContact O-N 3.36Å; F166-F221 HydrophobicContact CB-CZ 4.46Å; F166-F221 HydrophobicContact CD1-CZ 4.29Å; F166-F221 HydrophobicContact CG-CZ 4.35Å
167	M	90.4	Very high	85.8	Confident	43 Å²	43	31.8 Å²	31.8	21%	0.212	16%	0.164	C	C	.	.			trans	-70.3	-46.7	-179.1	-64.9	-71.4	-71.3	0	0	111	Y16 D171 Y217	Y16-M167 HydrophobicContact CD2-CE 4.37Å; Y16-M167 HydrophobicContact CE2-CE 4.46Å; M167-D171 HydrophobicContact CB-CB 3.83Å; M167-D171 PolarHBondContact N-OD2 2.86Å; M167-Y217 HydrophobicContact CB-CD2 4.35Å; M167-Y217 HydrophobicContact CE-CD2 3.79Å; M167-Y217 HydrophobicContact CE-CE2 3.27Å; M167-Y217 WeakPolarHBondContact O-CA 3.47Å; M167-Y217 WeakPolarHBondContact O-CB 3.33Å; M167-Y217 WeakPolarHBondContact O-CD2 3.47Å; M167-Y217 PolarHBondContact O-N 3.34Å; M167-Y217 VanDerWaalsContact O-O 3.11Å; M167-Y217 HydrophobicContact SD-CD2 4.27Å; M167-Y217 HydrophobicContact SD-CE2 3.75Å
168	D	91.1	Very high	83.5	Confident	55 Å²	55	36.5 Å²	36.5	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	-160.8	-174.8	177.6	60.7	39	0	0	0	110.1	Q170 D171 A172 Y217	D168-Q170 VanDerWaalsContact C-N 3.27Å; D168-Q170 PolarHBondContact O-N 2.87Å; D168-Q170 VanDerWaalsContact OD1-CA 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.4Å; D168-Q170 VanDerWaalsContact OD1-CB 3.32Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.18Å; D168-Q170 PolarHBondContact OD1-N 3.34Å; D168-D171 PolarHBondContact O-N 3.36Å; D168-D171 PolarHBondContact OD1-N 3.24Å; D168-A172 PolarHBondContact O-N 3.37Å; D168-A172 VanDerWaalsContact O-N 3.1Å; D168-Y217 WeakPolarHBondContact CA-O 3.34Å; D168-Y217 WeakPolarHBondContact CB-O 3.33Å
169	V	91.4	Very high	81.4	Confident	48 Å²	48	38 Å²	38	29%	0.291	20%	0.195	S	C	.	.	H	α-helix	trans	-64.4	-27	178.2	66.9	0	0	0	0	113.8	A172 F221	V169-A172 WeakPolarHBondContact O-CB 3.43Å; V169-F221 HydrophobicContact CB-CB 4Å; V169-F221 HydrophobicContact CB-CD1 3.95Å; V169-F221 HydrophobicContact CB-CG 4.03Å; V169-F221 HydrophobicContact CG2-CB 3.63Å; V169-F221 HydrophobicContact CG2-CD1 4.28Å; V169-F221 HydrophobicContact CG2-CD2 4.31Å; V169-F221 HydrophobicContact CG2-CG 3.83Å
170	Q	87.6	Confident	79.3	Confident	117 Å²	117	38.2 Å²	38.2	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-79.4	-35.5	176.9	-58.9	-63.5	-8.2	0	0	110.7	D168 A172 S173 R174	D168-Q170 VanDerWaalsContact C-N 3.27Å; D168-Q170 PolarHBondContact O-N 2.87Å; D168-Q170 VanDerWaalsContact OD1-CA 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.4Å; D168-Q170 VanDerWaalsContact OD1-CB 3.32Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.18Å; D168-Q170 PolarHBondContact OD1-N 3.34Å; Q170-A172 PolarHBondContact O-N 2.78Å; Q170-S173 PolarHBondContact O-N 3.06Å; Q170-S173 PolarHBondContact O-OG 3.13Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.45Å; Q170-R174 WeakPolarHBondContact O-CG 3.34Å; Q170-R174 PolarHBondContact O-N 3.36Å; Q170-R174 VanDerWaalsContact O-N 3.08Å
171	D	86.7	Confident	76.9	Confident	20 Å²	20	42.6 Å²	42.6	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-34.5	169.8	176.8	75.1	0	0	0	111.2	F166 M167 D168 S173 R174 R203	F166-D171 WeakPolarHBondContact CA-OD2 3.33Å; M167-D171 HydrophobicContact CB-CB 3.83Å; M167-D171 PolarHBondContact N-OD2 2.86Å; D168-D171 PolarHBondContact O-N 3.36Å; D168-D171 PolarHBondContact OD1-N 3.24Å; D171-S173 VanDerWaalsContact C-N 3.25Å; D171-S173 PolarHBondContact O-N 3.25Å; D171-R174 PolarHBondContact O-N 3.27Å; D171-R174 VanDerWaalsContact O-O 3.06Å; D171-R203 PolarHBondContact O-NH2 3.15Å; D171-R203 IonicContact OD2-CZ 2.83Å; D171-R203 IonicContact OD2-NH1 3.66Å; D171-R203 PolarHBondContact OD2-NH1 3.4Å; D171-R203 IonicContact OD2-NH2 3.7Å
172	A	84.8	Confident	74.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-31.1	173.8	0	0	0	0	0	113.6	F166 D168 V169 Q170 F221 Y227	F166-A172 HydrophobicContact CD1-CB 3.91Å; F166-A172 HydrophobicContact CE1-CB 4.26Å; D168-A172 PolarHBondContact O-N 3.37Å; D168-A172 VanDerWaalsContact O-N 3.1Å; V169-A172 WeakPolarHBondContact O-CB 3.43Å; Q170-A172 PolarHBondContact O-N 2.78Å; A172-F221 HydrophobicContact CB-CD2 4.45Å; A172-F221 HydrophobicContact CB-CE1 4.23Å; A172-F221 HydrophobicContact CB-CE2 3.58Å; A172-F221 HydrophobicContact CB-CZ 3.44Å; A172-F221 VanDerWaalsContact CB-CZ 3.44Å; A172-Y227 HydrophobicContact CB-CD2 4.39Å; A172-Y227 HydrophobicContact CB-CE2 4.38Å
173	S	78.2	Confident	72.5	Confident	50 Å²	50	51.2 Å²	51.2	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-92.5	-7.8	178.1	68.1	0	0	0	0	114.1	Q170 D171	Q170-S173 PolarHBondContact O-N 3.06Å; Q170-S173 PolarHBondContact O-OG 3.13Å; D171-S173 VanDerWaalsContact C-N 3.25Å; D171-S173 PolarHBondContact O-N 3.25Å
174	R	71.9	Confident	70.3	Confident	126 Å²	126	54.1 Å²	54.1	48%	0.475	28%	0.281	S	S	.	.			trans	-104.9	137.9	-178.4	-71.4	169.5	75.9	161	8.5	111.3	Q170 D171 D179	Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.45Å; Q170-R174 WeakPolarHBondContact O-CG 3.34Å; Q170-R174 PolarHBondContact O-N 3.36Å; Q170-R174 VanDerWaalsContact O-N 3.08Å; D171-R174 PolarHBondContact O-N 3.27Å; D171-R174 VanDerWaalsContact O-O 3.06Å; R174-D179 IonicContact CZ-OD1 3.79Å; R174-D179 IonicContact CZ-OD2 3.06Å; R174-D179 IonicContact NE-OD2 2.85Å; R174-D179 PolarHBondContact NE-OD2 3.2Å; R174-D179 IonicContact NH2-OD1 2.82Å; R174-D179 PolarHBondContact NH2-OD1 2.98Å; R174-D179 IonicContact NH2-OD2 2.67Å; R174-D179 PolarHBondContact NH2-OD2 2.89Å
175	V	60.1	Low	68	Low	33 Å²	33	62.2 Å²	62.2	20%	0.2	32%	0.318	C	S	.	.			trans	-127.9	11.7	171.9	178.4	0	0	0	0	111.9	F177 T230	V175-F177 PolarHBondContact O-N 3.32Å; V175-F177 VanDerWaalsContact O-N 3.1Å; V175-T230 HydrophobicContact CB-CG2 3.44Å; V175-T230 VanDerWaalsContact CB-CG2 3.44Å; V175-T230 HydrophobicContact CG1-CG2 4.28Å; V175-T230 HydrophobicContact CG2-CG2 3.16Å
176	S	53.6	Low	65.8	Low	40 Å²	40	65.6 Å²	65.6	28%	0.28	35%	0.353	S	S	.	.			trans	-58.4	119.8	-175.5	174.7	0	0	0	0	111.1	L178 D179 I180	S176-L178 PolarHBondContact O-N 3.24Å; S176-L178 VanDerWaalsContact O-N 3.16Å; S176-L178 PolarHBondContact OG-N 3.48Å; S176-D179 WeakPolarHBondContact CB-OD2 3.47Å; S176-D179 WeakPolarHBondContact O-CB 3.44Å; S176-D179 PolarHBondContact O-N 3.07Å; S176-D179 VanDerWaalsContact O-N 3.07Å; S176-I180 WeakPolarHBondContact O-CG1 3.45Å; S176-I180 PolarHBondContact O-N 3.12Å
177	F	52	Low	63.5	Low	88 Å²	88	71.5 Å²	71.5	39%	0.386	38%	0.381	S	S	.	.	H	α-helix	trans	-53.1	-32.5	176.5	175	-95.8	0	0	0	112.4	V175 I180 M181 I196	V175-F177 PolarHBondContact O-N 3.32Å; V175-F177 VanDerWaalsContact O-N 3.1Å; F177-I180 WeakPolarHBondContact O-CA 3.42Å; F177-I180 WeakPolarHBondContact O-CB 3.32Å; F177-I180 PolarHBondContact O-N 3.5Å; F177-M181 HydrophobicContact CE1-CG 4.1Å; F177-M181 HydrophobicContact CE1-SD 3.69Å; F177-M181 HydrophobicContact CZ-CG 4.26Å; F177-M181 HydrophobicContact CZ-SD 3.9Å; F177-M181 PolarHBondContact O-N 3.03Å; F177-I196 HydrophobicContact CD2-CD1 4.25Å; F177-I196 HydrophobicContact CE2-CD1 3.89Å
178	L	48.6	Very low	61.6	Low	120 Å²	120	74.7 Å²	74.7	63%	0.628	41%	0.407	S	S	*	.	H	α-helix	trans	-66.9	-40.1	179.4	-75.4	153.9	0	0	0	112	S176 I180 M181	S176-L178 PolarHBondContact O-N 3.24Å; S176-L178 VanDerWaalsContact O-N 3.16Å; S176-L178 PolarHBondContact OG-N 3.48Å; L178-I180 PolarHBondContact O-N 3.2Å; L178-M181 PolarHBondContact O-N 3.48Å; L178-M181 VanDerWaalsContact O-N 3.15Å
179	D	53.2	Low	59.7	Low	46 Å²	46	79.8 Å²	79.8	25%	0.246	43%	0.434	C	S	.	.	H	α-helix	trans	-66.6	-19.1	173.8	-59.8	-35.8	0	0	0	111.7	R132 R174 S176	R132-D179 PolarHBondContact NH1-O 3.03Å; R174-D179 IonicContact CZ-OD1 3.79Å; R174-D179 IonicContact CZ-OD2 3.06Å; R174-D179 IonicContact NE-OD2 2.85Å; R174-D179 PolarHBondContact NE-OD2 3.2Å; R174-D179 IonicContact NH2-OD1 2.82Å; R174-D179 PolarHBondContact NH2-OD1 2.98Å; R174-D179 IonicContact NH2-OD2 2.67Å; R174-D179 PolarHBondContact NH2-OD2 2.89Å; S176-D179 WeakPolarHBondContact CB-OD2 3.47Å; S176-D179 WeakPolarHBondContact O-CB 3.44Å; S176-D179 PolarHBondContact O-N 3.07Å; S176-D179 VanDerWaalsContact O-N 3.07Å
180	I	53.4	Low	58.1	Low	4 Å²	4	79.5 Å²	79.5	2%	0.021	43%	0.434	C	S	.	.	H	α-helix	trans	-72.1	-35.9	175.8	-47.4	-174.2	0	0	0	111.5	S176 F177 L178 I196 W199	S176-I180 WeakPolarHBondContact O-CG1 3.45Å; S176-I180 PolarHBondContact O-N 3.12Å; F177-I180 WeakPolarHBondContact O-CA 3.42Å; F177-I180 WeakPolarHBondContact O-CB 3.32Å; F177-I180 PolarHBondContact O-N 3.5Å; L178-I180 PolarHBondContact O-N 3.2Å; I180-I196 HydrophobicContact CD1-CG2 3.9Å; I180-I196 HydrophobicContact CG2-CD1 3.69Å; I180-I196 HydrophobicContact CG2-CG1 3.68Å; I180-W199 HydrophobicContact CD1-CE3 4.48Å; I180-W199 HydrophobicContact CD1-CZ3 3.89Å; I180-W199 HydrophobicContact CG1-CZ3 4.37Å
181	M	49	Very low	57.3	Low	91 Å²	91	78.6 Å²	78.6	45%	0.448	43%	0.433	S	S	.	.	H	α-helix	trans	-81.6	-30.5	-172.7	-65.2	-151.7	76.7	0	0	114.3	F177 L178 G183 N184	F177-M181 HydrophobicContact CE1-CG 4.1Å; F177-M181 HydrophobicContact CE1-SD 3.69Å; F177-M181 HydrophobicContact CZ-CG 4.26Å; F177-M181 HydrophobicContact CZ-SD 3.9Å; F177-M181 PolarHBondContact O-N 3.03Å; L178-M181 PolarHBondContact O-N 3.48Å; L178-M181 VanDerWaalsContact O-N 3.15Å; M181-G183 PolarHBondContact O-N 3.06Å; M181-G183 VanDerWaalsContact O-N 3.17Å; M181-N184 PolarHBondContact O-N 3.14Å
182	E	51.9	Low	56.6	Low	153 Å²	153	82.7 Å²	82.7	72%	0.715	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.8	-176.4	-69.2	-169.1	163.3	0	0	114.2
183	G	50.1	Low	56	Low	31 Å²	31	89.7 Å²	89.7	32%	0.32	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-17	-179.3	0	0	0	0	0	116.1	M181	M181-G183 PolarHBondContact O-N 3.06Å; M181-G183 VanDerWaalsContact O-N 3.17Å
184	N	46.8	Very low	56.1	Low	62 Å²	62	91.3 Å²	91.3	33%	0.332	49%	0.487	S	S	.	.			trans	-112	51.8	-166.3	-84.3	4.2	0	0	0	113.4	R132 M181 G186	R132-N184 PolarHBondContact O-ND2 2.89Å; R132-N184 PolarHBondContact O-OD1 3.02Å; M181-N184 PolarHBondContact O-N 3.14Å; N184-G186 VanDerWaalsContact C-N 3.3Å; N184-G186 PolarHBondContact O-N 3.06Å
185	H	43.5	Very low	56.3	Low	179 Å²	179	87.5 Å²	87.5	83%	0.829	48%	0.476	S	S	*	.			trans	-76.6	78	165.7	-65.8	-67	0	0	0	110
186	G	44.6	Very low	57.2	Low	71 Å²	71	86.9 Å²	86.9	73%	0.732	47%	0.471	S	S	*	.	S	Bend	trans	-179.8	-31.7	173.9	0	0	0	0	0	118.6	N184	N184-G186 VanDerWaalsContact C-N 3.3Å; N184-G186 PolarHBondContact O-N 3.06Å
187	E	45.2	Very low	58.5	Low	124 Å²	124	88.6 Å²	88.6	58%	0.579	48%	0.477	S	S	*	.			trans	-112	95.5	-174.3	-68.4	-174.3	176.8	0	0	110.9	N189	E187-N189 VanDerWaalsContact C-N 3.34Å; E187-N189 PolarHBondContact O-N 2.75Å
188	S	50.3	Low	60.1	Low	110 Å²	110	86.5 Å²	86.5	77%	0.769	47%	0.47	S	S	*	.	S	Bend	trans	-85.5	2.9	-173.9	68.9	0	0	0	0	115
189	N	51.1	Low	61.9	Low	161 Å²	161	81 Å²	81	86%	0.861	44%	0.441	S	S	*	.	S	Bend	trans	-129.7	8.1	-171.9	-78.4	-11.4	0	0	0	115.2	E187	E187-N189 VanDerWaalsContact C-N 3.34Å; E187-N189 PolarHBondContact O-N 2.75Å
190	C	58	Low	63.4	Low	42 Å²	42	80.9 Å²	80.9	28%	0.284	44%	0.437	S	S	.	.	S	Bend	trans	-94.6	147.5	177.5	56.4	0	0	0	0	111.8	K192 L195	C190-K192 VanDerWaalsContact C-N 3.29Å; C190-K192 PolarHBondContact O-N 2.88Å; C190-L195 HydrophobicContact CB-CD1 3.72Å; C190-L195 HydrophobicContact CB-CG 4.49Å; C190-L195 WeakPolarHBondContact SG-CD1 3.41Å
191	D	71	Confident	65.1	Low	99 Å²	99	87.1 Å²	87.1	53%	0.529	47%	0.466	S	S	.	.			trans	-64.2	93.1	169.4	-177.4	-11.3	0	0	0	108.6	E193 N194 L195	D191-E193 PolarHBondContact O-N 3.34Å; D191-E193 PolarHBondContact OD1-N 2.73Å; D191-E193 VanDerWaalsContact OD1-N 3.17Å; D191-N194 HydrophobicContact CB-CB 3.87Å; D191-N194 VanDerWaalsContact CG-CB 3.46Å; D191-N194 PolarHBondContact O-N 2.71Å; D191-N194 PolarHBondContact OD1-N 2.74Å; D191-N194 VanDerWaalsContact OD1-N 3.09Å; D191-N194 WeakPolarHBondContact OD2-CB 3.03Å; D191-L195 PolarHBondContact O-N 3.21Å
192	K	70.5	Confident	67.1	Low	105 Å²	105	83.1 Å²	83.1	46%	0.457	45%	0.447	S	S	.	.	H	α-helix	trans	-58.7	-36	-177.1	-68.5	-176.1	-179.7	179.3	0	111.1	C190 L195 I196	C190-K192 VanDerWaalsContact C-N 3.29Å; C190-K192 PolarHBondContact O-N 2.88Å; K192-L195 PolarHBondContact O-N 3.02Å; K192-I196 WeakPolarHBondContact O-CB 3.49Å; K192-I196 WeakPolarHBondContact O-CG1 3.47Å; K192-I196 PolarHBondContact O-N 3.38Å
193	E	73.5	Confident	69	Low	149 Å²	149	76.4 Å²	76.4	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-66.2	-45.8	178.8	-66.8	-175.6	177.1	0	0	110.4	D191 L195 I196 N197	D191-E193 PolarHBondContact O-N 3.34Å; D191-E193 PolarHBondContact OD1-N 2.73Å; D191-E193 VanDerWaalsContact OD1-N 3.17Å; E193-L195 PolarHBondContact O-N 2.79Å; E193-I196 PolarHBondContact O-N 2.94Å; E193-N197 WeakPolarHBondContact O-CB 3.4Å; E193-N197 VanDerWaalsContact O-CG 3.24Å; E193-N197 PolarHBondContact O-N 2.95Å; E193-N197 PolarHBondContact O-ND2 3.23Å
194	N	78.9	Confident	70.9	Confident	84 Å²	84	77.8 Å²	77.8	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-45.1	176.5	-168.2	22.9	0	0	0	111.9	D191 I196 N197 I198	D191-N194 HydrophobicContact CB-CB 3.87Å; D191-N194 VanDerWaalsContact CG-CB 3.46Å; D191-N194 PolarHBondContact O-N 2.71Å; D191-N194 PolarHBondContact OD1-N 2.74Å; D191-N194 VanDerWaalsContact OD1-N 3.09Å; D191-N194 WeakPolarHBondContact OD2-CB 3.03Å; N194-I196 VanDerWaalsContact C-N 3.32Å; N194-I196 PolarHBondContact O-N 3.35Å; N194-N197 PolarHBondContact O-N 2.84Å; N194-I198 WeakPolarHBondContact O-CB 3.29Å; N194-I198 VanDerWaalsContact O-CG1 3.26Å; N194-I198 WeakPolarHBondContact O-CG1 3.48Å; N194-I198 PolarHBondContact O-N 3.5Å
195	L	77.2	Confident	73	Confident	46 Å²	46	76.6 Å²	76.6	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-40.1	176.7	-72.8	-179.6	0	0	0	113	C190 D191 K192 E193 W199	C190-L195 HydrophobicContact CB-CD1 3.72Å; C190-L195 HydrophobicContact CB-CG 4.49Å; C190-L195 WeakPolarHBondContact SG-CD1 3.41Å; D191-L195 PolarHBondContact O-N 3.21Å; K192-L195 PolarHBondContact O-N 3.02Å; E193-L195 PolarHBondContact O-N 2.79Å; L195-W199 VanDerWaalsContact O-CB 3.31Å; L195-W199 WeakPolarHBondContact O-CB 3.44Å; L195-W199 PolarHBondContact O-N 3.49Å
196	I	78.6	Confident	75.4	Confident	19 Å²	19	68.1 Å²	68.1	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-41.6	177.4	-68.1	173.3	0	0	0	110.5	F177 I180 K192 E193 N194 W199 R200	F177-I196 HydrophobicContact CD2-CD1 4.25Å; F177-I196 HydrophobicContact CE2-CD1 3.89Å; I180-I196 HydrophobicContact CD1-CG2 3.9Å; I180-I196 HydrophobicContact CG2-CD1 3.69Å; I180-I196 HydrophobicContact CG2-CG1 3.68Å; K192-I196 WeakPolarHBondContact O-CB 3.49Å; K192-I196 WeakPolarHBondContact O-CG1 3.47Å; K192-I196 PolarHBondContact O-N 3.38Å; E193-I196 PolarHBondContact O-N 2.94Å; N194-I196 VanDerWaalsContact C-N 3.32Å; N194-I196 PolarHBondContact O-N 3.35Å; I196-W199 PolarHBondContact O-N 3.25Å; I196-R200 WeakPolarHBondContact O-CB 3.32Å; I196-R200 WeakPolarHBondContact O-CG 3.14Å; I196-R200 PolarHBondContact O-N 3.2Å
197	N	82	Confident	77.8	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-43.8	177.7	-71.1	-27.1	0	0	0	111.7	E193 N194 R200 Q201	E193-N197 WeakPolarHBondContact O-CB 3.4Å; E193-N197 VanDerWaalsContact O-CG 3.24Å; E193-N197 PolarHBondContact O-N 2.95Å; E193-N197 PolarHBondContact O-ND2 3.23Å; N194-N197 PolarHBondContact O-N 2.84Å; N197-R200 PolarHBondContact O-N 3.42Å; N197-Q201 WeakPolarHBondContact O-CG 3.37Å; N197-Q201 PolarHBondContact O-N 3.14Å
198	I	85.4	Confident	80	Confident	45 Å²	45	66 Å²	66	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-47.7	174.1	-69.5	167.2	0	0	0	110.4	P130 N194 R200 Q201 S202	P130-I198 HydrophobicContact CB-CG2 3.66Å; P130-I198 HydrophobicContact CG-CG2 3.4Å; N194-I198 WeakPolarHBondContact O-CB 3.29Å; N194-I198 VanDerWaalsContact O-CG1 3.26Å; N194-I198 WeakPolarHBondContact O-CG1 3.48Å; N194-I198 PolarHBondContact O-N 3.5Å; I198-R200 VanDerWaalsContact C-N 3.32Å; I198-R200 PolarHBondContact O-N 3.44Å; I198-Q201 PolarHBondContact O-N 3.39Å; I198-S202 PolarHBondContact O-N 3.15Å; I198-S202 PolarHBondContact O-OG 2.75Å; I198-S202 VanDerWaalsContact O-OG 3.14Å
199	W	86.1	Confident	82.1	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-40.8	176.6	172.1	69.3	0	0	0	112.4	R132 L165 I180 L195 I196 S202 R203	R132-W199 HydrophobicContact CG-CB 4.41Å; R132-W199 HydrophobicContact CG-CD2 3.91Å; R132-W199 HydrophobicContact CG-CG 3.79Å; L165-W199 PolarHBondContact O-NE1 3.22Å; I180-W199 HydrophobicContact CD1-CE3 4.48Å; I180-W199 HydrophobicContact CD1-CZ3 3.89Å; I180-W199 HydrophobicContact CG1-CZ3 4.37Å; L195-W199 VanDerWaalsContact O-CB 3.31Å; L195-W199 WeakPolarHBondContact O-CB 3.44Å; L195-W199 PolarHBondContact O-N 3.49Å; I196-W199 PolarHBondContact O-N 3.25Å; W199-S202 WeakPolarHBondContact O-CB 3.45Å; W199-S202 PolarHBondContact O-N 2.69Å; W199-R203 HydrophobicContact CZ2-CG 4.49Å; W199-R203 WeakPolarHBondContact O-CG 3.22Å; W199-R203 PolarHBondContact O-N 2.93Å
200	R	85	Confident	84.2	Confident	44 Å²	44	59.3 Å²	59.3	17%	0.166	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-43.8	175.4	-77.3	176	173.9	143.6	-2.1	112	I196 N197 I198 S202 R203 M204	I196-R200 WeakPolarHBondContact O-CB 3.32Å; I196-R200 WeakPolarHBondContact O-CG 3.14Å; I196-R200 PolarHBondContact O-N 3.2Å; N197-R200 PolarHBondContact O-N 3.42Å; I198-R200 VanDerWaalsContact C-N 3.32Å; I198-R200 PolarHBondContact O-N 3.44Å; R200-S202 VanDerWaalsContact C-N 3.34Å; R200-S202 PolarHBondContact O-N 2.64Å; R200-R203 WeakPolarHBondContact O-CB 3.4Å; R200-R203 PolarHBondContact O-N 2.72Å; R200-M204 WeakPolarHBondContact O-CG 3.32Å; R200-M204 PolarHBondContact O-N 2.99Å
201	Q	88.3	Confident	86.1	Confident	134 Å²	134	61 Å²	61	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-45.6	175.2	-73.2	172.1	-3.5	0	0	110.9	N197 I198 R203 M204 L205	N197-Q201 WeakPolarHBondContact O-CG 3.37Å; N197-Q201 PolarHBondContact O-N 3.14Å; I198-Q201 PolarHBondContact O-N 3.39Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.44Å; Q201-M204 PolarHBondContact O-N 2.76Å; Q201-L205 VanDerWaalsContact O-CB 3.27Å; Q201-L205 WeakPolarHBondContact O-CB 3.4Å; Q201-L205 PolarHBondContact O-N 3.06Å
202	S	91.2	Very high	87.4	Confident	7 Å²	7	58.1 Å²	58.1	5%	0.049	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-39.3	174.6	-64.1	0	0	0	0	112.7	T129 P130 I198 W199 R200 L205 I206	T129-S202 VanDerWaalsContact C-OG 3.26Å; T129-S202 WeakPolarHBondContact CA-OG 3.33Å; P130-S202 WeakPolarHBondContact CD-OG 3.21Å; P130-S202 WeakPolarHBondContact O-CB 3.17Å; P130-S202 PolarHBondContact O-OG 3.17Å; I198-S202 PolarHBondContact O-N 3.15Å; I198-S202 PolarHBondContact O-OG 2.75Å; I198-S202 VanDerWaalsContact O-OG 3.14Å; W199-S202 WeakPolarHBondContact O-CB 3.45Å; W199-S202 PolarHBondContact O-N 2.69Å; R200-S202 VanDerWaalsContact C-N 3.34Å; R200-S202 PolarHBondContact O-N 2.64Å; S202-L205 WeakPolarHBondContact O-CB 3.49Å; S202-I206 WeakPolarHBondContact O-CG1 3.32Å; S202-I206 PolarHBondContact O-N 3.43Å
203	R	91.6	Very high	88.6	Confident	13 Å²	13	53.1 Å²	53.1	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-48.1	175.8	-73.2	173.3	64	101.7	-10.8	112.4	L165 F166 D171 W199 R200 Q201 L205 I206 L207	L165-R203 HydrophobicContact CD1-CG 3.74Å; L165-R203 HydrophobicContact CG-CG 3.96Å; L165-R203 PolarHBondContact O-NH1 2.89Å; F166-R203 VanDerWaalsContact CD1-CZ 3.5Å; F166-R203 HydrophobicContact CE1-CB 4.32Å; F166-R203 HydrophobicContact CE1-CG 4.1Å; F166-R203 HydrophobicContact CE2-CB 4.46Å; F166-R203 HydrophobicContact CE2-CG 4.22Å; F166-R203 HydrophobicContact CZ-CB 3.76Å; F166-R203 HydrophobicContact CZ-CG 3.76Å; D171-R203 PolarHBondContact O-NH2 3.15Å; D171-R203 IonicContact OD2-CZ 2.83Å; D171-R203 IonicContact OD2-NH1 3.66Å; D171-R203 PolarHBondContact OD2-NH1 3.4Å; D171-R203 IonicContact OD2-NH2 3.7Å; W199-R203 HydrophobicContact CZ2-CG 4.49Å; W199-R203 WeakPolarHBondContact O-CG 3.22Å; W199-R203 PolarHBondContact O-N 2.93Å; R200-R203 WeakPolarHBondContact O-CB 3.4Å; R200-R203 PolarHBondContact O-N 2.72Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.44Å; R203-L205 VanDerWaalsContact C-N 3.27Å; R203-L205 PolarHBondContact O-N 3.2Å; R203-I206 PolarHBondContact O-N 3.44Å; R203-I206 VanDerWaalsContact O-N 3.14Å; R203-L207 WeakPolarHBondContact O-CG 3.41Å; R203-L207 PolarHBondContact O-N 2.85Å
204	M	90.2	Very high	89.8	Confident	60 Å²	60	46 Å²	46	30%	0.296	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-43.3	177.7	-72.3	-56.4	-58.4	0	0	111.2	R200 Q201 I206 L207 E208 T228	R200-M204 WeakPolarHBondContact O-CG 3.32Å; R200-M204 PolarHBondContact O-N 2.99Å; Q201-M204 PolarHBondContact O-N 2.76Å; M204-I206 PolarHBondContact O-N 2.95Å; M204-L207 PolarHBondContact O-N 3.06Å; M204-L207 VanDerWaalsContact O-N 3.16Å; M204-E208 WeakPolarHBondContact O-CB 3.35Å; M204-E208 VanDerWaalsContact O-CG 3.31Å; M204-E208 WeakPolarHBondContact O-CG 3.29Å; M204-E208 PolarHBondContact O-N 3.1Å; M204-T228 HydrophobicContact CE-CG2 4.2Å
205	L	91.5	Very high	90.6	Very high	37 Å²	37	42.1 Å²	42.1	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-53.5	-40.2	175.8	-170.6	69.6	0	0	0	112.9	I127 Q201 S202 R203 R209	I127-L205 HydrophobicContact CD1-CD2 4.11Å; Q201-L205 VanDerWaalsContact O-CB 3.27Å; Q201-L205 WeakPolarHBondContact O-CB 3.4Å; Q201-L205 PolarHBondContact O-N 3.06Å; S202-L205 WeakPolarHBondContact O-CB 3.49Å; R203-L205 VanDerWaalsContact C-N 3.27Å; R203-L205 PolarHBondContact O-N 3.2Å; L205-R209 VanDerWaalsContact CD1-NH2 3.28Å; L205-R209 WeakPolarHBondContact O-CD 3.17Å; L205-R209 WeakPolarHBondContact O-CG 3.48Å
206	I	94.3	Very high	91.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-75.8	-46.6	176.8	-67.7	-61.8	0	0	0	111.6	I127 T129 V140 A160 T162 L165 F166 S202 R203 M204 E208 R209 A210 V213	I127-I206 HydrophobicContact CD1-CD1 3.72Å; T129-I206 HydrophobicContact CG2-CD1 4.16Å; T129-I206 HydrophobicContact CG2-CG1 4.16Å; V140-I206 HydrophobicContact CG2-CD1 4.45Å; A160-I206 HydrophobicContact CB-CD1 4.18Å; A160-I206 HydrophobicContact CB-CG2 3.61Å; T162-I206 HydrophobicContact CG2-CG1 4.37Å; T162-I206 HydrophobicContact CG2-CG2 3.87Å; L165-I206 HydrophobicContact CD2-CB 4.39Å; L165-I206 HydrophobicContact CD2-CG1 3.6Å; F166-I206 HydrophobicContact CE2-CB 4.05Å; F166-I206 HydrophobicContact CE2-CG2 3.87Å; S202-I206 WeakPolarHBondContact O-CG1 3.32Å; S202-I206 PolarHBondContact O-N 3.43Å; R203-I206 PolarHBondContact O-N 3.44Å; R203-I206 VanDerWaalsContact O-N 3.14Å; M204-I206 PolarHBondContact O-N 2.95Å; I206-E208 PolarHBondContact O-N 3.43Å; I206-R209 PolarHBondContact O-N 3.1Å; I206-A210 HydrophobicContact CG2-CB 4.27Å; I206-A210 WeakPolarHBondContact O-CB 3.37Å; I206-A210 PolarHBondContact O-N 2.82Å; I206-V213 HydrophobicContact CG2-CG2 3.95Å
207	L	93.7	Very high	92.1	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-27	-177.6	-65.4	170.1	0	0	0	112.7	F166 R203 M204 R209 V223 Y227 T228	F166-L207 HydrophobicContact CE1-CD1 4.25Å; F166-L207 HydrophobicContact CE1-CD2 4.13Å; F166-L207 HydrophobicContact CE1-CG 4.29Å; F166-L207 HydrophobicContact CZ-CD1 4.07Å; F166-L207 HydrophobicContact CZ-CD2 3.9Å; F166-L207 HydrophobicContact CZ-CG 3.77Å; R203-L207 WeakPolarHBondContact O-CG 3.41Å; R203-L207 PolarHBondContact O-N 2.85Å; M204-L207 PolarHBondContact O-N 3.06Å; M204-L207 VanDerWaalsContact O-N 3.16Å; L207-R209 VanDerWaalsContact C-N 3.35Å; L207-V223 HydrophobicContact CB-CG1 4.39Å; L207-V223 HydrophobicContact CD2-CG1 3.93Å; L207-V223 HydrophobicContact CD2-CG2 4.09Å; L207-Y227 HydrophobicContact CD2-CD2 4.24Å; L207-T228 HydrophobicContact CB-CG2 3.77Å
208	E	92.6	Very high	92.7	Very high	140 Å²	140	36.4 Å²	36.4	65%	0.654	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-20	174.6	-73.5	176	178.8	0	0	113.5	M204 I206	M204-E208 WeakPolarHBondContact O-CB 3.35Å; M204-E208 VanDerWaalsContact O-CG 3.31Å; M204-E208 WeakPolarHBondContact O-CG 3.29Å; M204-E208 PolarHBondContact O-N 3.1Å; I206-E208 PolarHBondContact O-N 3.43Å
209	R	93.1	Very high	93.2	Very high	123 Å²	123	37.1 Å²	37.1	46%	0.464	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-36.3	-174	-70.3	177.2	179.6	153.2	0.7	113.7	C158 L205 I206 L207	C158-R209 WeakPolarHBondContact CB-O 3.44Å; C158-R209 PolarHBondContact SG-O 3.24Å; L205-R209 VanDerWaalsContact CD1-NH2 3.28Å; L205-R209 WeakPolarHBondContact O-CD 3.17Å; L205-R209 WeakPolarHBondContact O-CG 3.48Å; I206-R209 PolarHBondContact O-N 3.1Å; L207-R209 VanDerWaalsContact C-N 3.35Å
210	A	96.4	Very high	93.7	Very high	8 Å²	8	37.3 Å²	37.3	7%	0.066	18%	0.182	C	C	.	.			trans	-93.7	138.7	-169.5	0	0	0	0	0	112.2	A160 I206 V213 V223	A160-A210 HydrophobicContact CB-CB 3.64Å; I206-A210 HydrophobicContact CG2-CB 4.27Å; I206-A210 WeakPolarHBondContact O-CB 3.37Å; I206-A210 PolarHBondContact O-N 2.82Å; A210-V213 HydrophobicContact CB-CG2 4.32Å; A210-V223 HydrophobicContact CB-CG2 4.36Å; A210-V223 WeakPolarHBondContact O-CB 3.19Å; A210-V223 WeakPolarHBondContact O-CG2 3.31Å
211	D	97.1	Very high	94.1	Very high	78 Å²	78	35.8 Å²	35.8	42%	0.417	18%	0.176	S	C	.	.	S	Bend	trans	-81.9	-34	164.9	-62	-65.7	0	0	0	111	C157 C158 K222 V223	C157-D211 HydrophobicContact CB-CB 3.91Å; C157-D211 WeakPolarHBondContact CB-OD2 3.35Å; C158-D211 PolarHBondContact N-OD2 2.78Å; C158-D211 PolarHBondContact O-N 2.98Å; D211-K222 CarbonylContact O-C 3.58Å; D211-K222 WeakPolarHBondContact O-CA 3.2Å; D211-K222 WeakPolarHBondContact O-CG 3.5Å; D211-V223 PolarHBondContact O-N 3.32Å
212	W	97.6	Very high	94.5	Very high	37 Å²	37	35.3 Å²	35.3	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.5	-179.6	-76.6	85.5	0	0	0	111.5	L145 R154 C157 C158 I159 A160 P220 F221 K222	L145-W212 HydrophobicContact CD2-CB 4.35Å; L145-W212 HydrophobicContact CD2-CD2 4.23Å; L145-W212 HydrophobicContact CD2-CE3 4.04Å; L145-W212 HydrophobicContact CD2-CG 4.35Å; R154-W212 VanDerWaalsContact CZ-CZ2 3.45Å; C157-W212 VanDerWaalsContact SG-CD1 3.57Å; C158-W212 PolarHBondContact O-N 3.41Å; C158-W212 VanDerWaalsContact O-N 3.11Å; I159-W212 CarbonylContact C-O 3.59Å; I159-W212 WeakPolarHBondContact CA-O 3.5Å; I159-W212 HydrophobicContact CG1-CB 4.34Å; A160-W212 PolarHBondContact N-O 2.97Å; W212-P220 HydrophobicContact CE3-CB 4.13Å; W212-F221 WeakPolarHBondContact CA-O 3.26Å; W212-F221 VanDerWaalsContact CZ3-C 3.43Å; W212-K222 HydrophobicContact CD2-CB 4.21Å; W212-K222 HydrophobicContact CE3-CB 4.36Å; W212-K222 HydrophobicContact CH2-CB 3.8Å; W212-K222 HydrophobicContact CZ2-CB 3.67Å; W212-K222 HydrophobicContact CZ2-CD 4.19Å; W212-K222 HydrophobicContact CZ2-CG 4.1Å; W212-K222 HydrophobicContact CZ3-CB 4.18Å; W212-K222 VanDerWaalsContact CZ3-N 3.28Å
213	V	97.4	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131	173.7	173.1	0	0	0	0	109.4	A160 T162 F166 I206 A210 P215 P220 F221 V223	A160-V213 HydrophobicContact CB-CG2 4.4Å; A160-V213 CarbonylContact O-C 3.55Å; A160-V213 WeakPolarHBondContact O-CA 3.32Å; T162-V213 HydrophobicContact CG2-CG1 3.77Å; F166-V213 HydrophobicContact CB-CG1 4.34Å; F166-V213 HydrophobicContact CD2-CG1 4.03Å; F166-V213 HydrophobicContact CG-CG1 4.29Å; I206-V213 HydrophobicContact CG2-CG2 3.95Å; A210-V213 HydrophobicContact CB-CG2 4.32Å; V213-P215 WeakPolarHBondContact O-CD 3.15Å; V213-P220 CarbonylContact O-C 3.59Å; V213-P220 WeakPolarHBondContact O-CA 3.45Å; V213-F221 HydrophobicContact CB-CD1 4.32Å; V213-F221 HydrophobicContact CB-CD2 4.3Å; V213-F221 HydrophobicContact CB-CE1 3.75Å; V213-F221 HydrophobicContact CB-CE2 3.72Å; V213-F221 HydrophobicContact CB-CZ 3.41Å; V213-F221 VanDerWaalsContact CB-CZ 3.41Å; V213-F221 HydrophobicContact CG1-CE1 3.61Å; V213-F221 HydrophobicContact CG1-CE2 4.28Å; V213-F221 HydrophobicContact CG1-CZ 3.47Å; V213-F221 VanDerWaalsContact CG1-CZ 3.47Å; V213-F221 HydrophobicContact CG2-CE2 4.06Å; V213-F221 HydrophobicContact CG2-CZ 4.02Å; V213-F221 PolarHBondContact N-O 3.3Å; V213-F221 PolarHBondContact O-N 3.08Å; V213-V223 HydrophobicContact CG2-CG2 3.74Å
214	V	97.8	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.4	162	-172.5	0	0	0	0	107.3	L10 N28 V30 L145 I159 A160 V161 T162 P220	L10-V214 HydrophobicContact CD1-CG1 4.06Å; N28-V214 HydrophobicContact CB-CG1 3.97Å; V30-V214 HydrophobicContact CG2-CG1 3.87Å; L145-V214 HydrophobicContact CD1-CG2 4.31Å; I159-V214 HydrophobicContact CG2-CG2 4.16Å; A160-V214 PolarHBondContact O-N 2.91Å; V161-V214 HydrophobicContact CB-CB 4.45Å; V161-V214 HydrophobicContact CG1-CB 4.32Å; V161-V214 HydrophobicContact CG2-CB 4.16Å; V161-V214 HydrophobicContact CG2-CG2 4.17Å; T162-V214 PolarHBondContact N-O 2.78Å; T162-V214 PolarHBondContact OG1-O 2.82Å; T162-V214 VanDerWaalsContact OG1-O 3.06Å; V214-P220 HydrophobicContact CG2-CB 4.23Å; V214-P220 HydrophobicContact CG2-CG 4.13Å
215	P	96.1	Very high	94.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-175.6	-180	30.5	-35.5	0	0	0	112.4	N28 F166 V213 Y217 F221	N28-P215 WeakPolarHBondContact CB-O 3.37Å; N28-P215 PolarHBondContact ND2-O 3.17Å; F166-P215 HydrophobicContact CB-CB 4.17Å; F166-P215 CarbonylContact O-C 3.58Å; F166-P215 WeakPolarHBondContact O-CA 2.91Å; F166-P215 WeakPolarHBondContact O-CB 3.4Å; V213-P215 WeakPolarHBondContact O-CD 3.15Å; P215-Y217 WeakPolarHBondContact CG-O 3.39Å; P215-F221 HydrophobicContact CB-CE1 4.05Å; P215-F221 HydrophobicContact CG-CD1 4.13Å; P215-F221 HydrophobicContact CG-CE1 4.04Å
216	A	93.4	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-64.9	-41.1	168	0	0	0	0	0	112.5	C27 N28 G163 F166	C27-A216 CarbonylContact C-O 3.28Å; C27-A216 VanDerWaalsContact CA-O 3.29Å; C27-A216 WeakPolarHBondContact CA-O 3.34Å; N28-A216 PolarHBondContact N-O 3.08Å; G163-A216 VanDerWaalsContact O-CB 3.32Å; G163-A216 WeakPolarHBondContact O-CB 3.44Å; G163-A216 PolarHBondContact O-N 2.79Å; F166-A216 PolarHBondContact O-N 3.36Å
217	Y	94.2	Very high	93.9	Very high	6 Å²	6	45.3 Å²	45.3	2%	0.024	23%	0.225	C	C	.	.	S	Bend	trans	-134.3	147.8	-172.9	-45.6	-72.3	0	0	0	111.7	S15 Y16 R25 K26 E79 M167 D168 P215	S15-Y217 VanDerWaalsContact O-CD1 3.32Å; S15-Y217 WeakPolarHBondContact O-CD1 3.18Å; Y16-Y217 HydrophobicContact CD2-CE2 4.22Å; R25-Y217 HydrophobicContact CB-CE1 4.11Å; R25-Y217 WeakPolarHBondContact CD-OH 3.39Å; R25-Y217 HydrophobicContact CG-CE1 4.08Å; K26-Y217 VanDerWaalsContact O-CD1 3.26Å; K26-Y217 WeakPolarHBondContact O-CD1 3.43Å; E79-Y217 PolarHBondContact OE1-OH 2.83Å; M167-Y217 HydrophobicContact CB-CD2 4.35Å; M167-Y217 HydrophobicContact CE-CD2 3.79Å; M167-Y217 HydrophobicContact CE-CE2 3.27Å; M167-Y217 WeakPolarHBondContact O-CA 3.47Å; M167-Y217 WeakPolarHBondContact O-CB 3.33Å; M167-Y217 WeakPolarHBondContact O-CD2 3.47Å; M167-Y217 PolarHBondContact O-N 3.34Å; M167-Y217 VanDerWaalsContact O-O 3.11Å; M167-Y217 HydrophobicContact SD-CD2 4.27Å; M167-Y217 HydrophobicContact SD-CE2 3.75Å; D168-Y217 WeakPolarHBondContact CA-O 3.34Å; D168-Y217 WeakPolarHBondContact CB-O 3.33Å; P215-Y217 WeakPolarHBondContact CG-O 3.39Å
218	G	94.2	Very high	93.2	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	76.9	-176.4	-178.3	0	0	0	0	0	113.8	G14 N28	G14-G218 PolarHBondContact O-N 2.79Å; N28-G218 PolarHBondContact ND2-O 3.4Å; N28-G218 PolarHBondContact OD1-O 3.12Å
219	P	95.1	Very high	92.1	Very high	61 Å²	61	47.1 Å²	47.1	40%	0.396	24%	0.24	S	C	.	.	S	Bend	trans	-74	158.8	-173.6	31.4	-35.7	0	0	0	111.7	E13	E13-P219 WeakPolarHBondContact OE1-CD 3.43Å
220	P	96.2	Very high	90.4	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.052	23%	0.231	C	C	.	.			trans	-55.7	145.9	167.1	-22.1	33	0	0	0	111.1	L10 L145 W212 V213 V214	L10-P220 HydrophobicContact CD2-CG 4.01Å; L145-P220 HydrophobicContact CD1-CG 4.35Å; L145-P220 HydrophobicContact CD2-CB 3.55Å; L145-P220 HydrophobicContact CD2-CG 3.94Å; W212-P220 HydrophobicContact CE3-CB 4.13Å; V213-P220 CarbonylContact O-C 3.59Å; V213-P220 WeakPolarHBondContact O-CA 3.45Å; V214-P220 HydrophobicContact CG2-CB 4.23Å; V214-P220 HydrophobicContact CG2-CG 4.13Å
221	F	95.2	Very high	88.2	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	179	64.2	-94	0	0	0	111.8	F166 V169 A172 W212 V213 P215 Y227	F166-F221 HydrophobicContact CB-CZ 4.46Å; F166-F221 HydrophobicContact CD1-CZ 4.29Å; F166-F221 HydrophobicContact CG-CZ 4.35Å; V169-F221 HydrophobicContact CB-CB 4Å; V169-F221 HydrophobicContact CB-CD1 3.95Å; V169-F221 HydrophobicContact CB-CG 4.03Å; V169-F221 HydrophobicContact CG2-CB 3.63Å; V169-F221 HydrophobicContact CG2-CD1 4.28Å; V169-F221 HydrophobicContact CG2-CD2 4.31Å; V169-F221 HydrophobicContact CG2-CG 3.83Å; A172-F221 HydrophobicContact CB-CD2 4.45Å; A172-F221 HydrophobicContact CB-CE1 4.23Å; A172-F221 HydrophobicContact CB-CE2 3.58Å; A172-F221 HydrophobicContact CB-CZ 3.44Å; A172-F221 VanDerWaalsContact CB-CZ 3.44Å; W212-F221 WeakPolarHBondContact CA-O 3.26Å; W212-F221 VanDerWaalsContact CZ3-C 3.43Å; V213-F221 HydrophobicContact CB-CD1 4.32Å; V213-F221 HydrophobicContact CB-CD2 4.3Å; V213-F221 HydrophobicContact CB-CE1 3.75Å; V213-F221 HydrophobicContact CB-CE2 3.72Å; V213-F221 HydrophobicContact CB-CZ 3.41Å; V213-F221 VanDerWaalsContact CB-CZ 3.41Å; V213-F221 HydrophobicContact CG1-CE1 3.61Å; V213-F221 HydrophobicContact CG1-CE2 4.28Å; V213-F221 HydrophobicContact CG1-CZ 3.47Å; V213-F221 VanDerWaalsContact CG1-CZ 3.47Å; V213-F221 HydrophobicContact CG2-CE2 4.06Å; V213-F221 HydrophobicContact CG2-CZ 4.02Å; V213-F221 PolarHBondContact N-O 3.3Å; V213-F221 PolarHBondContact O-N 3.08Å; P215-F221 HydrophobicContact CB-CE1 4.05Å; P215-F221 HydrophobicContact CG-CD1 4.13Å; P215-F221 HydrophobicContact CG-CE1 4.04Å; F221-Y227 AromaticContact CD2-CE2 3.85Å; F221-Y227 HydrophobicContact CD2-CE2 3.85Å; F221-Y227 HydrophobicContact CE2-CD2 4.27Å; F221-Y227 AromaticContact CE2-CE2 3.93Å; F221-Y227 HydrophobicContact CE2-CE2 3.93Å
222	K	95.6	Very high	85.9	Confident	124 Å²	124	48.3 Å²	48.3	54%	0.539	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.4	174.3	-166.6	172	-178.2	171.9	0	109.3	D211 W212 K224 Y227	D211-K222 CarbonylContact O-C 3.58Å; D211-K222 WeakPolarHBondContact O-CA 3.2Å; D211-K222 WeakPolarHBondContact O-CG 3.5Å; W212-K222 HydrophobicContact CD2-CB 4.21Å; W212-K222 HydrophobicContact CE3-CB 4.36Å; W212-K222 HydrophobicContact CH2-CB 3.8Å; W212-K222 HydrophobicContact CZ2-CB 3.67Å; W212-K222 HydrophobicContact CZ2-CD 4.19Å; W212-K222 HydrophobicContact CZ2-CG 4.1Å; W212-K222 HydrophobicContact CZ3-CB 4.18Å; W212-K222 VanDerWaalsContact CZ3-N 3.28Å; K222-K224 PolarHBondContact O-N 2.95Å; K222-Y227 WeakPolarHBondContact O-CE2 3.49Å
223	V	95.1	Very high	83.2	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.152	29%	0.289	C	S	.	.			trans	-65.4	130.9	173.1	176.8	0	0	0	0	109	L207 A210 D211 V213 Y227	L207-V223 HydrophobicContact CB-CG1 4.39Å; L207-V223 HydrophobicContact CD2-CG1 3.93Å; L207-V223 HydrophobicContact CD2-CG2 4.09Å; A210-V223 HydrophobicContact CB-CG2 4.36Å; A210-V223 WeakPolarHBondContact O-CB 3.19Å; A210-V223 WeakPolarHBondContact O-CG2 3.31Å; D211-V223 PolarHBondContact O-N 3.32Å; V213-V223 HydrophobicContact CG2-CG2 3.74Å; V223-Y227 HydrophobicContact CG1-CD2 4.42Å
224	K	92.8	Very high	80.3	Confident	96 Å²	96	58.3 Å²	58.3	42%	0.417	32%	0.322	S	S	.	.			trans	-117.7	150.9	179.5	-52.2	-176.2	-177.1	175.9	0	110.6	K222 E226 Y227	K222-K224 PolarHBondContact O-N 2.95Å; K224-E226 HydrophobicContact CB-CG 4.04Å; K224-E226 WeakPolarHBondContact CB-OE2 3.32Å; K224-E226 WeakPolarHBondContact CD-OE1 2.96Å; K224-E226 IonicContact NZ-OE1 3.92Å; K224-E226 PolarHBondContact O-N 3.07Å; K224-E226 VanDerWaalsContact O-N 3.14Å; K224-Y227 HydrophobicContact CB-CD2 4.17Å; K224-Y227 HydrophobicContact CB-CE1 4.43Å; K224-Y227 HydrophobicContact CB-CE2 3.93Å; K224-Y227 HydrophobicContact CD-CE1 4.5Å; K224-Y227 HydrophobicContact CD-CE2 4.42Å; K224-Y227 HydrophobicContact CG-CE2 3.85Å; K224-Y227 VanDerWaalsContact N-CD2 3.27Å; K224-Y227 WeakPolarHBondContact O-CB 3.4Å; K224-Y227 PolarHBondContact O-N 2.82Å
225	P	87.5	Confident	77.1	Confident	95 Å²	95	65.8 Å²	65.8	62%	0.617	36%	0.361	S	S	*	.	H	α-helix	trans	-55.8	-31.5	-179.7	-26.1	35.2	0	0	0	114	Y227 T228 L229	P225-Y227 PolarHBondContact O-N 2.67Å; P225-T228 PolarHBondContact O-N 2.85Å; P225-T228 PolarHBondContact O-OG1 3.09Å; P225-L229 WeakPolarHBondContact O-CG 3.43Å; P225-L229 PolarHBondContact O-N 3.19Å
226	E	85.6	Confident	74.1	Confident	98 Å²	98	74.1 Å²	74.1	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-24.6	177.1	57	-96.2	-141.1	0	0	113.8	K224 T228 L229 T230	K224-E226 HydrophobicContact CB-CG 4.04Å; K224-E226 WeakPolarHBondContact CB-OE2 3.32Å; K224-E226 WeakPolarHBondContact CD-OE1 2.96Å; K224-E226 IonicContact NZ-OE1 3.92Å; K224-E226 PolarHBondContact O-N 3.07Å; K224-E226 VanDerWaalsContact O-N 3.14Å; E226-T228 VanDerWaalsContact C-N 3.33Å; E226-T228 PolarHBondContact O-N 3.43Å; E226-L229 PolarHBondContact O-N 2.85Å; E226-T230 PolarHBondContact O-OG1 3.16Å
227	Y	86	Confident	73.2	Confident	15 Å²	15	77.9 Å²	77.9	6%	0.059	45%	0.452	C	S	.	.	H	α-helix	trans	-71.4	-29.9	179.8	-55.6	-23.6	0	0	0	112.1	A172 L207 F221 K222 V223 K224 P225	A172-Y227 HydrophobicContact CB-CD2 4.39Å; A172-Y227 HydrophobicContact CB-CE2 4.38Å; L207-Y227 HydrophobicContact CD2-CD2 4.24Å; F221-Y227 AromaticContact CD2-CE2 3.85Å; F221-Y227 HydrophobicContact CD2-CE2 3.85Å; F221-Y227 HydrophobicContact CE2-CD2 4.27Å; F221-Y227 AromaticContact CE2-CE2 3.93Å; F221-Y227 HydrophobicContact CE2-CE2 3.93Å; K222-Y227 WeakPolarHBondContact O-CE2 3.49Å; V223-Y227 HydrophobicContact CG1-CD2 4.42Å; K224-Y227 HydrophobicContact CB-CD2 4.17Å; K224-Y227 HydrophobicContact CB-CE1 4.43Å; K224-Y227 HydrophobicContact CB-CE2 3.93Å; K224-Y227 HydrophobicContact CD-CE1 4.5Å; K224-Y227 HydrophobicContact CD-CE2 4.42Å; K224-Y227 HydrophobicContact CG-CE2 3.85Å; K224-Y227 VanDerWaalsContact N-CD2 3.27Å; K224-Y227 WeakPolarHBondContact O-CB 3.4Å; K224-Y227 PolarHBondContact O-N 2.82Å; P225-Y227 PolarHBondContact O-N 2.67Å
228	T	79.1	Confident	72	Confident	53 Å²	53	81.6 Å²	81.6	33%	0.325	48%	0.475	S	S	.	.	H	α-helix	trans	-86.4	-20.3	177.3	57.7	0	0	0	0	113	M204 L207 P225 E226 T230	M204-T228 HydrophobicContact CE-CG2 4.2Å; L207-T228 HydrophobicContact CB-CG2 3.77Å; P225-T228 PolarHBondContact O-N 2.85Å; P225-T228 PolarHBondContact O-OG1 3.09Å; E226-T228 VanDerWaalsContact C-N 3.33Å; E226-T228 PolarHBondContact O-N 3.43Å; T228-T230 VanDerWaalsContact C-N 3.32Å
229	L	68.9	Low	70.8	Confident	135 Å²	135	85.4 Å²	85.4	71%	0.707	49%	0.493	S	S	*	.			trans	-85.1	-1.7	-179.2	-69.5	172.8	0	0	0	114	P225 E226 P231	P225-L229 WeakPolarHBondContact O-CG 3.43Å; P225-L229 PolarHBondContact O-N 3.19Å; E226-L229 PolarHBondContact O-N 2.85Å; L229-P231 WeakPolarHBondContact O-CD 3.43Å
230	T	57.8	Low	69.4	Low	44 Å²	44	86.8 Å²	86.8	27%	0.27	50%	0.499	S	S	.	.	S	Bend	trans	-71.4	118.5	-173.7	-49.6	0	0	0	0	110.1	V175 E226 T228	V175-T230 HydrophobicContact CB-CG2 3.44Å; V175-T230 VanDerWaalsContact CB-CG2 3.44Å; V175-T230 HydrophobicContact CG1-CG2 4.28Å; V175-T230 HydrophobicContact CG2-CG2 3.16Å; E226-T230 PolarHBondContact O-OG1 3.16Å; T228-T230 VanDerWaalsContact C-N 3.32Å
231	P	50.8	Low	67.7	Low	93 Å²	93	91.8 Å²	91.8	60%	0.604	53%	0.527	S	S	*	.			trans	-63.3	141.1	-166.7	-21.4	31.2	0	0	0	113.8	L229 V233	L229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-V233 PolarHBondContact O-N 3.42Å
232	C	48.3	Very low	65.9	Low	96 Å²	96	97.1 Å²	97.1	65%	0.649	56%	0.559	S	S	*	*	S	Bend	trans	-68.6	9.9	171.9	-73.6	0	0	0	0	114.7
233	V	40.7	Very low	63.8	Low	96 Å²	96	95.2 Å²	95.2	58%	0.582	56%	0.56	S	S	*	*			trans	-135.1	93.3	-162.8	-159	0	0	0	0	111.5	P231 L235	P231-V233 PolarHBondContact O-N 3.42Å; V233-L235 HydrophobicContact CG1-CB 3.89Å; V233-L235 HydrophobicContact CG1-CD1 4.41Å; V233-L235 HydrophobicContact CG1-CG 4.4Å
234	E	37.2	Very low	61.4	Low	151 Å²	151	100.6 Å²	100.6	71%	0.706	59%	0.592	S	S	*	*			trans	-106.4	81.3	137.3	-79.4	-172.5	165.7	0	0	106
235	L	30.4	Very low	58.7	Low	158 Å²	158	101 Å²	101	83%	0.827	61%	0.606	S	S	*	*			trans	-109.2	96.3	161.3	-81	167.4	0	0	0	106.4	V233	V233-L235 HydrophobicContact CG1-CB 3.89Å; V233-L235 HydrophobicContact CG1-CD1 4.41Å; V233-L235 HydrophobicContact CG1-CG 4.4Å
236	A	32.7	Very low	56.1	Low	178 Å²	178	101.5 Å²	101.5	100%	1.471	61%	0.605	S	S	*	*			trans	-153.8	0	151.3	0	0	0	0	0	108.2

Retrieved 236 of 236 residues in 91.1 ms (Link to these results)

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