A0A077Z2K6_TRITR Loading...

Putative ubiquitin protein ligase neurlb neurali zed family protein

AlphaFold DB , UniProt , Accession A0A077Z2K6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 aa.

Structure Viewer

Loading PAE data...

(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	83.4	Confident	92	Very high	54 Å²	54	45.9 Å²	45.9	27%	0.266	23%	0.229	S	C	.	.				0	139.7	0	-169.9	161.9	67.8	0	0	107.2	I37 F43 W157 A159	M1-I37 HydrophobicContact SD-CG1 4.41Å; M1-F43 HydrophobicContact CE-CB 3.53Å; M1-F43 HydrophobicContact CE-CG 4.45Å; M1-W157 HydrophobicContact CE-CD2 4.25Å; M1-W157 HydrophobicContact CE-CE3 3.64Å; M1-W157 HydrophobicContact CE-CH2 3.21Å; M1-W157 HydrophobicContact CE-CZ2 3.94Å; M1-W157 HydrophobicContact CE-CZ3 3.12Å; M1-W157 HydrophobicContact SD-CH2 4.48Å; M1-A159 HydrophobicContact CB-CB 4.18Å
2	S	90.4	Very high	92.1	Very high	33 Å²	33	54 Å²	54	23%	0.231	26%	0.255	C	S	.	.			trans	-129.8	175.5	-179.4	50.3	0	0	0	0	109.4	G17 S34 W157	S2-G17 CarbonylContact C-O 3.53Å; S2-G17 WeakPolarHBondContact CA-O 3.23Å; S2-G17 VanDerWaalsContact CB-O 3.3Å; S2-G17 WeakPolarHBondContact CB-O 3.3Å; S2-S34 PolarHBondContact N-OG 3.48Å; S2-S34 WeakPolarHBondContact O-CB 3.49Å; S2-S34 PolarHBondContact O-N 3.39Å; S2-S34 PolarHBondContact O-OG 3.34Å; S2-S34 WeakPolarHBondContact OG-CB 3.47Å; S2-S34 PolarHBondContact OG-OG 2.9Å; S2-W157 VanDerWaalsContact C-NE1 3.32Å; S2-W157 PolarHBondContact O-NE1 3.05Å
3	F	92.4	Very high	92.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.4	167	-68.1	-74.7	0	0	0	109.6	L13 G17 I18 A20 F32 L155 W157	F3-L13 HydrophobicContact CB-CD1 4.21Å; F3-L13 HydrophobicContact CB-CD2 3.65Å; F3-L13 HydrophobicContact CD2-CD2 4.31Å; F3-L13 HydrophobicContact CG-CD2 4.11Å; F3-G17 WeakPolarHBondContact CB-O 3.31Å; F3-G17 VanDerWaalsContact CD2-O 3.27Å; F3-G17 WeakPolarHBondContact CD2-O 3.27Å; F3-G17 PolarHBondContact N-O 3.07Å; F3-I18 WeakPolarHBondContact CE2-O 3.19Å; F3-A20 HydrophobicContact CD1-CB 3.92Å; F3-A20 HydrophobicContact CD2-CB 3.39Å; F3-A20 HydrophobicContact CE1-CB 3.88Å; F3-A20 HydrophobicContact CE2-CB 3.38Å; F3-A20 VanDerWaalsContact CE2-N 3.28Å; F3-A20 HydrophobicContact CG-CB 3.71Å; F3-A20 HydrophobicContact CZ-CB 3.64Å; F3-F32 CarbonylContact C-O 3.56Å; F3-F32 WeakPolarHBondContact CA-O 3.37Å; F3-L155 WeakPolarHBondContact CE2-O 3.3Å; F3-L155 HydrophobicContact CZ-CB 3.9Å; F3-W157 AromaticContact CD1-CD1 3.72Å; F3-W157 AromaticContact CD1-NE1 3.05Å; F3-W157 AromaticContact CD2-CD1 3.13Å; F3-W157 HydrophobicContact CD2-CG 4.27Å; F3-W157 AromaticContact CD2-NE1 3.46Å; F3-W157 AromaticContact CE1-CD1 3.75Å; F3-W157 AromaticContact CE1-CE2 3.82Å; F3-W157 HydrophobicContact CE1-CZ2 4.37Å; F3-W157 AromaticContact CE1-NE1 3.14Å; F3-W157 AromaticContact CE2-CD1 3.14Å; F3-W157 AromaticContact CE2-CG 3.96Å; F3-W157 HydrophobicContact CE2-CG 3.96Å; F3-W157 AromaticContact CE2-NE1 3.52Å; F3-W157 AromaticContact CG-CD1 3.4Å; F3-W157 VanDerWaalsContact CG-CD1 3.4Å; F3-W157 AromaticContact CG-NE1 3.19Å; F3-W157 AromaticContact CZ-CD1 3.46Å; F3-W157 VanDerWaalsContact CZ-CD1 3.46Å; F3-W157 HydrophobicContact CZ-CD2 4.45Å; F3-W157 HydrophobicContact CZ-CG 4.14Å; F3-W157 AromaticContact CZ-NE1 3.36Å
4	H	94.5	Very high	92.2	Very high	26 Å²	26	55.3 Å²	55.3	12%	0.12	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	146.7	174.4	-164.7	-95.9	0	0	0	110.3	V6 L13 F32	H4-V6 WeakPolarHBondContact ND1-CB 3.44Å; H4-V6 PolarHBondContact ND1-N 3.21Å; H4-V6 PolarHBondContact O-N 3.08Å; H4-V6 VanDerWaalsContact O-N 3.16Å; H4-L13 WeakPolarHBondContact O-CD1 3.47Å; H4-F32 HydrophobicContact CB-CB 3.91Å; H4-F32 PolarHBondContact N-O 2.95Å
5	R	95.6	Very high	92.3	Very high	192 Å²	192	56.3 Å²	56.3	73%	0.725	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	-20.5	177.8	67	-178.7	179.5	-169	-0.6	114.5	H7	R5-H7 PolarHBondContact O-CD2 3.45Å
6	V	95.4	Very high	92.3	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.1	171.7	177.9	0	0	0	0	107.6	H4 F32 P67 L68 R71 L74	H4-V6 WeakPolarHBondContact ND1-CB 3.44Å; H4-V6 PolarHBondContact ND1-N 3.21Å; H4-V6 PolarHBondContact O-N 3.08Å; H4-V6 VanDerWaalsContact O-N 3.16Å; V6-F32 WeakPolarHBondContact O-CD2 3.19Å; V6-P67 HydrophobicContact CB-CB 3.95Å; V6-P67 HydrophobicContact CG1-CB 4.21Å; V6-P67 WeakPolarHBondContact CG1-O 3.49Å; V6-P67 HydrophobicContact CG2-CB 4.48Å; V6-L68 HydrophobicContact CG2-CD2 4.01Å; V6-R71 HydrophobicContact CG1-CB 3.9Å; V6-R71 HydrophobicContact CG2-CB 3.86Å; V6-L74 HydrophobicContact CG1-CD1 3.92Å; V6-L74 HydrophobicContact CG1-CD2 4.26Å; V6-L74 HydrophobicContact CG1-CG 4.4Å
7	H	93.7	Very high	92.3	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.259	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.9	178.5	55.8	75.2	0	0	0	109.1	R5 I11 L30 L74	R5-H7 PolarHBondContact O-CD2 3.45Å; H7-I11 HydrophobicContact CB-CB 4Å; H7-I11 HydrophobicContact CB-CG2 4.02Å; H7-I11 PolarHBondContact CE1-O 3.07Å; H7-I11 PolarHBondContact ND1-O 3.41Å; H7-I11 VanDerWaalsContact ND1-O 3.1Å; H7-L30 CarbonylContact C-O 3.58Å; H7-L30 VanDerWaalsContact CA-O 3.3Å; H7-L30 WeakPolarHBondContact CA-O 3.39Å; H7-L30 WeakPolarHBondContact CB-O 3.48Å; H7-L74 VanDerWaalsContact O-CD1 3.22Å; H7-L74 WeakPolarHBondContact O-CD1 3.42Å
8	G	92.7	Very high	92.3	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.021	30%	0.303	C	S	.	.			trans	-63.8	157.2	176.5	0	0	0	0	0	112	N10 I11 K28 L30	G8-N10 PolarHBondContact O-N 3.05Å; G8-I11 PolarHBondContact O-N 2.98Å; G8-K28 CarbonylContact C-O 3.47Å; G8-K28 WeakPolarHBondContact CA-O 3.3Å; G8-L30 PolarHBondContact N-O 2.82Å
9	S	93.1	Very high	92.2	Very high	84 Å²	84	58.6 Å²	58.6	59%	0.587	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.5	-173.6	64.1	0	0	0	0	114.3	K28	S9-K28 PolarHBondContact N-O 3.11Å; S9-K28 VanDerWaalsContact OG-CD 3.27Å; S9-K28 WeakPolarHBondContact OG-CD 3.27Å
10	N	90.4	Very high	92.2	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.107	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3	-179.3	-67.9	-26.6	0	0	0	113.3	G8 R22 E23 Q24 S25 C27 K28	G8-N10 PolarHBondContact O-N 3.05Å; N10-R22 HydrophobicContact CB-CG 4.4Å; N10-R22 CarbonylContact O-C 3.49Å; N10-R22 VanDerWaalsContact O-CA 3.26Å; N10-R22 WeakPolarHBondContact O-CA 3.35Å; N10-E23 PolarHBondContact O-N 3.04Å; N10-Q24 WeakPolarHBondContact CB-O 3.37Å; N10-Q24 VanDerWaalsContact CG-O 3.25Å; N10-Q24 PolarHBondContact ND2-O 2.75Å; N10-S25 VanDerWaalsContact ND2-CB 3.34Å; N10-S25 WeakPolarHBondContact ND2-CB 3.19Å; N10-C27 PolarHBondContact ND2-O 3.04Å; N10-K28 PolarHBondContact N-O 3.27Å; N10-K28 VanDerWaalsContact N-O 3.12Å
11	I	90.7	Very high	92	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.9	172.1	-61	-54.1	0	0	0	109.4	H7 G8 L13 A20 R21 R22 A29	H7-I11 HydrophobicContact CB-CB 4Å; H7-I11 HydrophobicContact CB-CG2 4.02Å; H7-I11 PolarHBondContact CE1-O 3.07Å; H7-I11 PolarHBondContact ND1-O 3.41Å; H7-I11 VanDerWaalsContact ND1-O 3.1Å; G8-I11 PolarHBondContact O-N 2.98Å; I11-L13 HydrophobicContact CG2-CD2 3.9Å; I11-A20 HydrophobicContact CG2-CB 3.97Å; I11-R21 CarbonylContact C-O 3.53Å; I11-R21 WeakPolarHBondContact CA-O 3.49Å; I11-R22 HydrophobicContact CD1-CB 3.92Å; I11-R22 HydrophobicContact CD1-CG 4.36Å; I11-A29 HydrophobicContact CD1-CB 3.91Å; I11-A29 HydrophobicContact CG1-CB 4.45Å
12	R	92.3	Very high	92.3	Very high	143 Å²	143	53.7 Å²	53.7	54%	0.54	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.9	164.2	-176.4	167.8	-86.8	171.5	-3.5	109.5	Y14 R21 E23	R12-Y14 HydrophobicContact CB-CE2 3.82Å; R12-Y14 VanDerWaalsContact CD-CZ 3.44Å; R12-Y14 WeakPolarHBondContact CD-OH 3.34Å; R12-Y14 HydrophobicContact CG-CD2 4.31Å; R12-Y14 HydrophobicContact CG-CE1 4.27Å; R12-Y14 HydrophobicContact CG-CE2 3.63Å; R12-R21 PolarHBondContact N-O 3.48Å; R12-R21 PolarHBondContact O-N 3.38Å; R12-E23 HydrophobicContact CB-CG 3.73Å
13	L	93.2	Very high	91.9	Very high	44 Å²	44	55.1 Å²	55.1	23%	0.23	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.4	177.6	-60.3	-173.1	0	0	0	110.7	F3 H4 I11 I19 A20	F3-L13 HydrophobicContact CB-CD1 4.21Å; F3-L13 HydrophobicContact CB-CD2 3.65Å; F3-L13 HydrophobicContact CD2-CD2 4.31Å; F3-L13 HydrophobicContact CG-CD2 4.11Å; H4-L13 WeakPolarHBondContact O-CD1 3.47Å; I11-L13 HydrophobicContact CG2-CD2 3.9Å; L13-I19 CarbonylContact C-O 3.5Å; L13-I19 VanDerWaalsContact CA-O 3.31Å; L13-I19 WeakPolarHBondContact CA-O 3.4Å; L13-A20 HydrophobicContact CD2-CB 3.68Å
14	Y	93	Very high	91.3	Very high	82 Å²	82	61.2 Å²	61.2	32%	0.322	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	166.5	178	-60	-91.7	0	0	0	110.3	R12 N16 G17 I18 I19 R21 E23	R12-Y14 HydrophobicContact CB-CE2 3.82Å; R12-Y14 VanDerWaalsContact CD-CZ 3.44Å; R12-Y14 WeakPolarHBondContact CD-OH 3.34Å; R12-Y14 HydrophobicContact CG-CD2 4.31Å; R12-Y14 HydrophobicContact CG-CE1 4.27Å; R12-Y14 HydrophobicContact CG-CE2 3.63Å; Y14-N16 PolarHBondContact O-N 3.16Å; Y14-G17 WeakPolarHBondContact O-CA 3.22Å; Y14-G17 PolarHBondContact O-N 2.79Å; Y14-I18 PolarHBondContact O-N 3.28Å; Y14-I19 HydrophobicContact CD2-CG2 4.31Å; Y14-I19 PolarHBondContact N-O 3.43Å; Y14-I19 PolarHBondContact O-N 2.86Å; Y14-I19 VanDerWaalsContact O-N 3.12Å; Y14-R21 HydrophobicContact CD2-CB 4.17Å; Y14-R21 HydrophobicContact CE2-CB 3.76Å; Y14-E23 WeakPolarHBondContact CE2-OE1 3.43Å; Y14-E23 PolarHBondContact OH-OE1 2.85Å
15	S	93.3	Very high	90.7	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	52.8	175	-56.1	0	0	0	0	112.7	G17 I18	S15-G17 PolarHBondContact O-N 3.08Å; S15-I18 VanDerWaalsContact O-CB 3.28Å; S15-I18 WeakPolarHBondContact O-CB 3.4Å; S15-I18 WeakPolarHBondContact O-CD1 3.39Å; S15-I18 WeakPolarHBondContact O-CG1 3.3Å; S15-I18 PolarHBondContact O-N 3.37Å
16	N	92.9	Very high	89.8	Confident	166 Å²	166	57.5 Å²	57.5	89%	0.888	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.7	-176.8	-62.2	-26.1	0	0	0	113.7	Y14 I18	Y14-N16 PolarHBondContact O-N 3.16Å; N16-I18 VanDerWaalsContact C-N 3.3Å; N16-I18 PolarHBondContact O-N 2.85Å
17	G	91.8	Very high	89.3	Confident	9 Å²	9	57.6 Å²	57.6	9%	0.093	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	9	-179.7	0	0	0	0	0	114	S2 F3 Y14 S15 I19	S2-G17 CarbonylContact C-O 3.53Å; S2-G17 WeakPolarHBondContact CA-O 3.23Å; S2-G17 VanDerWaalsContact CB-O 3.3Å; S2-G17 WeakPolarHBondContact CB-O 3.3Å; F3-G17 WeakPolarHBondContact CB-O 3.31Å; F3-G17 VanDerWaalsContact CD2-O 3.27Å; F3-G17 WeakPolarHBondContact CD2-O 3.27Å; F3-G17 PolarHBondContact N-O 3.07Å; Y14-G17 WeakPolarHBondContact O-CA 3.22Å; Y14-G17 PolarHBondContact O-N 2.79Å; S15-G17 PolarHBondContact O-N 3.08Å; G17-I19 VanDerWaalsContact C-N 3.29Å
18	I	92.4	Very high	89	Confident	73 Å²	73	59.3 Å²	59.3	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.3	173.9	-64	170.4	0	0	0	110.3	F3 Y14 S15 N16 E156 W157	F3-I18 WeakPolarHBondContact CE2-O 3.19Å; Y14-I18 PolarHBondContact O-N 3.28Å; S15-I18 VanDerWaalsContact O-CB 3.28Å; S15-I18 WeakPolarHBondContact O-CB 3.4Å; S15-I18 WeakPolarHBondContact O-CD1 3.39Å; S15-I18 WeakPolarHBondContact O-CG1 3.3Å; S15-I18 PolarHBondContact O-N 3.37Å; N16-I18 VanDerWaalsContact C-N 3.3Å; N16-I18 PolarHBondContact O-N 2.85Å; I18-E156 HydrophobicContact CG2-CG 3.95Å; I18-W157 HydrophobicContact CG2-CB 4.39Å; I18-W157 WeakPolarHBondContact CG2-O 3.48Å; I18-W157 WeakPolarHBondContact O-CB 3.21Å; I18-W157 PolarHBondContact O-N 3.18Å
19	I	91.4	Very high	88.8	Confident	22 Å²	22	59.3 Å²	59.3	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.8	-177.5	-65.6	174.3	0	0	0	109.5	L13 Y14 G17 I48 C154 L155 E156	L13-I19 CarbonylContact C-O 3.5Å; L13-I19 VanDerWaalsContact CA-O 3.31Å; L13-I19 WeakPolarHBondContact CA-O 3.4Å; Y14-I19 HydrophobicContact CD2-CG2 4.31Å; Y14-I19 PolarHBondContact N-O 3.43Å; Y14-I19 PolarHBondContact O-N 2.86Å; Y14-I19 VanDerWaalsContact O-N 3.12Å; G17-I19 VanDerWaalsContact C-N 3.29Å; I19-I48 HydrophobicContact CD1-CD1 3.9Å; I19-I48 HydrophobicContact CG1-CD1 4.1Å; I19-I48 HydrophobicContact CG2-CD1 3.93Å; I19-C154 WeakPolarHBondContact CG2-SG 3.32Å; I19-L155 CarbonylContact C-O 3.54Å; I19-L155 WeakPolarHBondContact CA-O 3.34Å; I19-E156 HydrophobicContact CG1-CB 4.17Å; I19-E156 HydrophobicContact CG1-CG 3.9Å
20	A	91.3	Very high	88.8	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	168.6	0	0	0	0	0	109.2	F3 I11 L13 C154 L155	F3-A20 HydrophobicContact CD1-CB 3.92Å; F3-A20 HydrophobicContact CD2-CB 3.39Å; F3-A20 HydrophobicContact CE1-CB 3.88Å; F3-A20 HydrophobicContact CE2-CB 3.38Å; F3-A20 VanDerWaalsContact CE2-N 3.28Å; F3-A20 HydrophobicContact CG-CB 3.71Å; F3-A20 HydrophobicContact CZ-CB 3.64Å; I11-A20 HydrophobicContact CG2-CB 3.97Å; L13-A20 HydrophobicContact CD2-CB 3.68Å; A20-C154 WeakPolarHBondContact O-CA 3.32Å; A20-L155 PolarHBondContact N-O 2.71Å; A20-L155 PolarHBondContact O-N 2.81Å
21	R	89	Confident	88.9	Confident	63 Å²	63	54.5 Å²	54.5	24%	0.238	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.1	179.4	-167.4	172.3	-175.2	-139.1	10.1	109.5	I11 R12 Y14 E23 E49 P152 I153 C154	I11-R21 CarbonylContact C-O 3.53Å; I11-R21 WeakPolarHBondContact CA-O 3.49Å; R12-R21 PolarHBondContact N-O 3.48Å; R12-R21 PolarHBondContact O-N 3.38Å; Y14-R21 HydrophobicContact CD2-CB 4.17Å; Y14-R21 HydrophobicContact CE2-CB 3.76Å; R21-E23 WeakPolarHBondContact CD-OE1 3.38Å; R21-E23 IonicContact NH1-OE1 3.34Å; R21-E23 PolarHBondContact NH1-OE1 2.95Å; R21-E23 IonicContact NH1-OE2 2.84Å; R21-E23 PolarHBondContact NH1-OE2 3.04Å; R21-E49 IonicContact CZ-OE1 2.83Å; R21-E49 IonicContact CZ-OE2 3.16Å; R21-E49 IonicContact NE-OE1 3.43Å; R21-E49 IonicContact NE-OE2 3.77Å; R21-E49 PolarHBondContact NE-OE2 3.01Å; R21-E49 IonicContact NH2-OE1 3.85Å; R21-E49 PolarHBondContact NH2-OE1 3.04Å; R21-E49 IonicContact NH2-OE2 2.72Å; R21-E49 PolarHBondContact NH2-OE2 3.12Å; R21-E49 VanDerWaalsContact NH2-OE2 3.16Å; R21-P152 HydrophobicContact CG-CB 4.14Å; R21-I153 WeakPolarHBondContact CA-O 3.21Å; R21-C154 HydrophobicContact CB-CB 4.3Å; R21-C154 HydrophobicContact CG-CB 3.97Å
22	R	87.9	Confident	89.1	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.9	167	-172.3	174.4	55.4	51.8	10.2	108.2	N10 I11 S25 A29 D141 A150 P151 P152 I153	N10-R22 HydrophobicContact CB-CG 4.4Å; N10-R22 CarbonylContact O-C 3.49Å; N10-R22 VanDerWaalsContact O-CA 3.26Å; N10-R22 WeakPolarHBondContact O-CA 3.35Å; I11-R22 HydrophobicContact CD1-CB 3.92Å; I11-R22 HydrophobicContact CD1-CG 4.36Å; R22-S25 VanDerWaalsContact CD-O 3.3Å; R22-S25 WeakPolarHBondContact CD-O 3.31Å; R22-S25 PolarHBondContact NE-O 3.07Å; R22-S25 PolarHBondContact NH1-O 3.18Å; R22-A29 VanDerWaalsContact CD-CB 3.49Å; R22-A29 HydrophobicContact CG-CB 4.08Å; R22-D141 IonicContact CZ-OD2 3.24Å; R22-D141 VanDerWaalsContact CZ-OD2 3.24Å; R22-D141 IonicContact NE-OD2 3.46Å; R22-D141 PolarHBondContact NE-OD2 3.1Å; R22-D141 IonicContact NH2-OD2 2.77Å; R22-D141 PolarHBondContact NH2-OD2 2.78Å; R22-A150 VanDerWaalsContact NH1-CB 3.3Å; R22-P151 PolarHBondContact NH1-O 2.88Å; R22-P151 PolarHBondContact NH2-O 3.06Å; R22-P152 VanDerWaalsContact O-CA 3.29Å; R22-P152 WeakPolarHBondContact O-CA 3.45Å; R22-I153 HydrophobicContact CB-CG2 4.03Å; R22-I153 PolarHBondContact N-O 2.97Å
23	E	83	Confident	89.1	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.29	24%	0.239	S	C	.	.			trans	-92.8	-29.8	-176.1	-65.2	-68.5	159.8	0	0	112.4	N10 R12 Y14 R21	N10-E23 PolarHBondContact O-N 3.04Å; R12-E23 HydrophobicContact CB-CG 3.73Å; Y14-E23 WeakPolarHBondContact CE2-OE1 3.43Å; Y14-E23 PolarHBondContact OH-OE1 2.85Å; R21-E23 WeakPolarHBondContact CD-OE1 3.38Å; R21-E23 IonicContact NH1-OE1 3.34Å; R21-E23 PolarHBondContact NH1-OE1 2.95Å; R21-E23 IonicContact NH1-OE2 2.84Å; R21-E23 PolarHBondContact NH1-OE2 3.04Å
24	Q	80.4	Confident	89.1	Confident	135 Å²	135	47.2 Å²	47.2	63%	0.631	24%	0.243	S	C	*	.	S	Bend	trans	-147.9	157.3	-172.6	-63.4	-175.4	-4.2	0	0	111.7	N10	N10-Q24 WeakPolarHBondContact CB-O 3.37Å; N10-Q24 VanDerWaalsContact CG-O 3.25Å; N10-Q24 PolarHBondContact ND2-O 2.75Å
25	S	80.8	Confident	89.1	Confident	45 Å²	45	47.4 Å²	47.4	32%	0.315	24%	0.243	S	C	.	.	S	Bend	trans	54.4	176.4	174.6	-163.2	0	0	0	0	114.9	N10 R22 C27 A150	N10-S25 VanDerWaalsContact ND2-CB 3.34Å; N10-S25 WeakPolarHBondContact ND2-CB 3.19Å; R22-S25 VanDerWaalsContact CD-O 3.3Å; R22-S25 WeakPolarHBondContact CD-O 3.31Å; R22-S25 PolarHBondContact NE-O 3.07Å; R22-S25 PolarHBondContact NH1-O 3.18Å; S25-C27 PolarHBondContact OG-SG 3.09Å; S25-A150 WeakPolarHBondContact O-CB 3.4Å
26	F	77.3	Confident	89	Confident	95 Å²	95	47.7 Å²	47.7	42%	0.417	24%	0.244	S	C	.	.	S	Bend	trans	-107.7	4.2	179.1	61.1	-91.8	0	0	0	112.7	Y77 Q143 A150	F26-Y77 HydrophobicContact CD2-CE1 4.4Å; F26-Y77 HydrophobicContact CE2-CE1 4.5Å; F26-Y77 VanDerWaalsContact CE2-OH 3.22Å; F26-Y77 WeakPolarHBondContact CE2-OH 3.5Å; F26-Q143 WeakPolarHBondContact CB-O 3.28Å; F26-A150 HydrophobicContact CB-CB 4.46Å
27	C	83.6	Confident	88.9	Confident	17 Å²	17	40.1 Å²	40.1	12%	0.115	20%	0.203	C	C	.	.	S	Bend	trans	-130.5	177.3	-176.8	72.1	0	0	0	0	110.6	N10 S25 A29 Y77	N10-C27 PolarHBondContact ND2-O 3.04Å; S25-C27 PolarHBondContact OG-SG 3.09Å; C27-A29 PolarHBondContact O-N 3.3Å; C27-Y77 HydrophobicContact CB-CD1 4.11Å; C27-Y77 HydrophobicContact CB-CE1 3.28Å
28	K	88	Confident	88.8	Confident	92 Å²	92	48 Å²	48	40%	0.4	23%	0.23	S	C	.	.	S	Bend	trans	52.3	39.4	-179.1	-55.5	-178.8	178.7	-175.6	0	112	G8 S9 N10 K76	G8-K28 CarbonylContact C-O 3.47Å; G8-K28 WeakPolarHBondContact CA-O 3.3Å; S9-K28 PolarHBondContact N-O 3.11Å; S9-K28 VanDerWaalsContact OG-CD 3.27Å; S9-K28 WeakPolarHBondContact OG-CD 3.27Å; N10-K28 PolarHBondContact N-O 3.27Å; N10-K28 VanDerWaalsContact N-O 3.12Å; K28-K76 HydrophobicContact CG-CG 4.28Å; K28-K76 PolarHBondContact N-O 2.76Å
29	A	89.8	Confident	88.7	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.017	24%	0.236	C	C	.	.			trans	-111.8	22.8	-174.4	0	0	0	0	0	112.4	I11 R22 C27 D141	I11-A29 HydrophobicContact CD1-CB 3.91Å; I11-A29 HydrophobicContact CG1-CB 4.45Å; R22-A29 VanDerWaalsContact CD-CB 3.49Å; R22-A29 HydrophobicContact CG-CB 4.08Å; C27-A29 PolarHBondContact O-N 3.3Å; A29-D141 HydrophobicContact CB-CB 4.49Å
30	L	92	Very high	88.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.257	C	S	.	.			trans	-68	137	178.5	-72.3	165.1	0	0	0	110.5	H7 G8 F32 P75 A78 V138 N139 T140	H7-L30 CarbonylContact C-O 3.58Å; H7-L30 VanDerWaalsContact CA-O 3.3Å; H7-L30 WeakPolarHBondContact CA-O 3.39Å; H7-L30 WeakPolarHBondContact CB-O 3.48Å; G8-L30 PolarHBondContact N-O 2.82Å; L30-F32 HydrophobicContact CB-CE2 4.19Å; L30-F32 HydrophobicContact CB-CZ 4.3Å; L30-P75 HydrophobicContact CD1-CB 4.46Å; L30-P75 HydrophobicContact CD1-CG 3.71Å; L30-P75 WeakPolarHBondContact CD1-O 3.28Å; L30-A78 HydrophobicContact CD2-CB 3.93Å; L30-V138 HydrophobicContact CD2-CG1 3.54Å; L30-N139 CarbonylContact C-O 3.56Å; L30-N139 WeakPolarHBondContact CA-O 2.97Å; L30-T140 HydrophobicContact CD2-CG2 4.31Å
31	S	93.4	Very high	88.7	Confident	4 Å²	4	56.4 Å²	56.4	3%	0.028	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.3	170.1	59.3	0	0	0	0	109	V138 N139	S31-V138 WeakPolarHBondContact O-CA 3.43Å; S31-N139 PolarHBondContact N-O 2.7Å; S31-N139 PolarHBondContact O-N 3.3Å; S31-N139 PolarHBondContact OG-O 3.28Å
32	F	93.8	Very high	88.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.9	-173.9	-56.7	-91.6	0	0	0	111.2	F3 H4 V6 L30 T63 P67 I70 L74 T136 L137 V138	F3-F32 CarbonylContact C-O 3.56Å; F3-F32 WeakPolarHBondContact CA-O 3.37Å; H4-F32 HydrophobicContact CB-CB 3.91Å; H4-F32 PolarHBondContact N-O 2.95Å; V6-F32 WeakPolarHBondContact O-CD2 3.19Å; L30-F32 HydrophobicContact CB-CE2 4.19Å; L30-F32 HydrophobicContact CB-CZ 4.3Å; F32-T63 HydrophobicContact CD1-CG2 4.32Å; F32-T63 HydrophobicContact CE1-CG2 4.29Å; F32-P67 HydrophobicContact CB-CB 4.29Å; F32-P67 HydrophobicContact CB-CG 3.6Å; F32-P67 HydrophobicContact CD1-CB 4.48Å; F32-P67 HydrophobicContact CD1-CG 3.86Å; F32-P67 HydrophobicContact CD2-CB 4.03Å; F32-P67 HydrophobicContact CD2-CG 4.14Å; F32-P67 HydrophobicContact CG-CB 4.02Å; F32-P67 HydrophobicContact CG-CG 3.6Å; F32-I70 HydrophobicContact CE1-CD1 4.26Å; F32-I70 HydrophobicContact CZ-CD1 3.85Å; F32-L74 HydrophobicContact CE2-CD2 3.77Å; F32-L74 HydrophobicContact CZ-CD2 3.91Å; F32-T136 HydrophobicContact CB-CG2 4.01Å; F32-T136 HydrophobicContact CD1-CG2 4.16Å; F32-L137 CarbonylContact C-O 3.18Å; F32-L137 WeakPolarHBondContact CA-O 2.79Å; F32-V138 HydrophobicContact CD1-CB 4.44Å; F32-V138 HydrophobicContact CD1-CG1 4.42Å; F32-V138 HydrophobicContact CD1-CG2 3.74Å; F32-V138 HydrophobicContact CE1-CB 4.42Å; F32-V138 HydrophobicContact CE1-CG1 4.06Å; F32-V138 HydrophobicContact CE1-CG2 3.7Å
33	S	93.2	Very high	88.9	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.5	167.9	56.7	0	0	0	0	111	R35 L137	S33-R35 WeakPolarHBondContact CB-O 3.3Å; S33-R35 PolarHBondContact O-N 3.35Å; S33-R35 PolarHBondContact OG-O 3.26Å; S33-L137 PolarHBondContact N-O 3.37Å; S33-L137 PolarHBondContact OG-N 3.1Å
34	S	92.8	Very high	89.2	Confident	45 Å²	45	56.9 Å²	56.9	32%	0.315	27%	0.267	S	S	.	.	S	Bend	trans	-63.6	-15.2	-178	67.5	0	0	0	0	114.6	S2	S2-S34 PolarHBondContact N-OG 3.48Å; S2-S34 WeakPolarHBondContact O-CB 3.49Å; S2-S34 PolarHBondContact O-N 3.39Å; S2-S34 PolarHBondContact O-OG 3.34Å; S2-S34 WeakPolarHBondContact OG-CB 3.47Å; S2-S34 PolarHBondContact OG-OG 2.9Å
35	R	92.6	Very high	89.7	Confident	86 Å²	86	50.5 Å²	50.5	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-149.3	165.3	175.3	61.5	161.5	175.2	80.8	1	110.6	S33 E41	S33-R35 WeakPolarHBondContact CB-O 3.3Å; S33-R35 PolarHBondContact O-N 3.35Å; S33-R35 PolarHBondContact OG-O 3.26Å; R35-E41 IonicContact CZ-OE1 3.3Å; R35-E41 VanDerWaalsContact CZ-OE1 3.3Å; R35-E41 IonicContact CZ-OE2 3.69Å; R35-E41 IonicContact NH1-OE1 3.08Å; R35-E41 PolarHBondContact NH1-OE1 3.46Å; R35-E41 VanDerWaalsContact NH1-OE1 3.08Å; R35-E41 IonicContact NH1-OE2 2.86Å; R35-E41 PolarHBondContact NH1-OE2 3.36Å; R35-E41 IonicContact NH2-OE1 2.65Å; R35-E41 PolarHBondContact NH2-OE1 2.59Å; R35-E41 IonicContact NH2-OE2 3.61Å
36	P	91.4	Very high	90.1	Very high	77 Å²	77	52.8 Å²	52.8	50%	0.5	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-58.1	145.5	165	-23.6	34.8	0	0	0	112.1	L135	P36-L135 CarbonylContact C-O 3.56Å; P36-L135 WeakPolarHBondContact CA-O 3.27Å
37	I	90.5	Very high	90.7	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-93.1	133.8	177.7	-65.3	167.7	0	0	0	107.7	M1 E41 F43 L135 L137	M1-I37 HydrophobicContact SD-CG1 4.41Å; I37-E41 HydrophobicContact CG2-CB 3.98Å; I37-E41 HydrophobicContact CG2-CG 4.49Å; I37-F43 HydrophobicContact CD1-CD1 3.71Å; I37-F43 HydrophobicContact CD1-CD2 4.17Å; I37-F43 HydrophobicContact CD1-CE1 3.77Å; I37-F43 HydrophobicContact CD1-CE2 4.23Å; I37-F43 HydrophobicContact CD1-CG 3.9Å; I37-F43 HydrophobicContact CD1-CZ 4Å; I37-F43 HydrophobicContact CG1-CD1 4.32Å; I37-F43 HydrophobicContact CG2-CD1 3.57Å; I37-F43 HydrophobicContact CG2-CE1 3.75Å; I37-L135 HydrophobicContact CB-CB 4.3Å; I37-L135 WeakPolarHBondContact CB-O 3.45Å; I37-L135 PolarHBondContact N-O 3.15Å; I37-L137 HydrophobicContact CD1-CB 3.61Å
38	R	90.4	Very high	91	Very high	174 Å²	174	49.7 Å²	49.7	66%	0.657	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-77.6	155.5	176	-58.5	-176.2	-176.3	95.7	-6.6	110.5	N40 E41	R38-N40 PolarHBondContact O-N 3.23Å; R38-E41 HydrophobicContact CB-CB 4.05Å; R38-E41 PolarHBondContact N-OE2 3.47Å; R38-E41 IonicContact NH1-OE2 3.95Å; R38-E41 WeakPolarHBondContact O-CB 3.1Å; R38-E41 PolarHBondContact O-N 3.48Å
39	R	89.2	Confident	90.9	Very high	135 Å²	135	48.2 Å²	48.2	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.6	170.1	-62.3	172.9	-166.2	136.7	2.2	109.5	E41 L132	R39-E41 PolarHBondContact O-N 2.97Å; R39-L132 PolarHBondContact NH2-O 2.73Å; R39-L132 VanDerWaalsContact NH2-O 3.09Å
40	N	91	Very high	90.4	Very high	103 Å²	103	49 Å²	49	55%	0.551	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	3.6	-175.1	-54.2	-48.5	0	0	0	115.3	R38 K42 V108 N109	R38-N40 PolarHBondContact O-N 3.23Å; N40-K42 PolarHBondContact O-N 3.24Å; N40-V108 PolarHBondContact N-O 3.34Å; N40-N109 WeakPolarHBondContact OD1-CA 3.49Å
41	E	92	Very high	89.5	Confident	39 Å²	39	52 Å²	52	18%	0.182	24%	0.241	C	C	.	.			trans	-69.5	124.6	173.2	-172.7	-177.4	155.7	0	0	109.1	R35 I37 R38 R39 F43	R35-E41 IonicContact CZ-OE1 3.3Å; R35-E41 VanDerWaalsContact CZ-OE1 3.3Å; R35-E41 IonicContact CZ-OE2 3.69Å; R35-E41 IonicContact NH1-OE1 3.08Å; R35-E41 PolarHBondContact NH1-OE1 3.46Å; R35-E41 VanDerWaalsContact NH1-OE1 3.08Å; R35-E41 IonicContact NH1-OE2 2.86Å; R35-E41 PolarHBondContact NH1-OE2 3.36Å; R35-E41 IonicContact NH2-OE1 2.65Å; R35-E41 PolarHBondContact NH2-OE1 2.59Å; R35-E41 IonicContact NH2-OE2 3.61Å; I37-E41 HydrophobicContact CG2-CB 3.98Å; I37-E41 HydrophobicContact CG2-CG 4.49Å; R38-E41 HydrophobicContact CB-CB 4.05Å; R38-E41 PolarHBondContact N-OE2 3.47Å; R38-E41 IonicContact NH1-OE2 3.95Å; R38-E41 WeakPolarHBondContact O-CB 3.1Å; R38-E41 PolarHBondContact O-N 3.48Å; R39-E41 PolarHBondContact O-N 2.97Å; E41-F43 WeakPolarHBondContact O-CD1 3.31Å
42	K	91.2	Very high	88.2	Confident	128 Å²	128	56.9 Å²	56.9	56%	0.557	27%	0.267	S	S	*	.			trans	-79.7	131.8	171.9	-68.9	-178.3	-178.9	176.7	0	109.5	N40 T105 F106 L162	N40-K42 PolarHBondContact O-N 3.24Å; K42-T105 HydrophobicContact CB-CG2 4.18Å; K42-T105 HydrophobicContact CD-CG2 4.48Å; K42-T105 HydrophobicContact CG-CG2 4.46Å; K42-F106 WeakPolarHBondContact CA-O 3.34Å; K42-L162 HydrophobicContact CD-CB 4.48Å; K42-L162 HydrophobicContact CD-CD1 4.24Å
43	F	89.4	Confident	86.7	Confident	7 Å²	7	62.6 Å²	62.6	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.4	173.1	58.1	-88.6	0	0	0	109.4	M1 I37 E41 I62 T105 F106 M114 L137 W157	M1-F43 HydrophobicContact CE-CB 3.53Å; M1-F43 HydrophobicContact CE-CG 4.45Å; I37-F43 HydrophobicContact CD1-CD1 3.71Å; I37-F43 HydrophobicContact CD1-CD2 4.17Å; I37-F43 HydrophobicContact CD1-CE1 3.77Å; I37-F43 HydrophobicContact CD1-CE2 4.23Å; I37-F43 HydrophobicContact CD1-CG 3.9Å; I37-F43 HydrophobicContact CD1-CZ 4Å; I37-F43 HydrophobicContact CG1-CD1 4.32Å; I37-F43 HydrophobicContact CG2-CD1 3.57Å; I37-F43 HydrophobicContact CG2-CE1 3.75Å; E41-F43 WeakPolarHBondContact O-CD1 3.31Å; F43-I62 HydrophobicContact CZ-CD1 4.05Å; F43-T105 CarbonylContact O-C 3.54Å; F43-T105 WeakPolarHBondContact O-CA 3.09Å; F43-F106 HydrophobicContact CD2-CB 4.05Å; F43-F106 HydrophobicContact CD2-CD2 4.39Å; F43-F106 HydrophobicContact CE1-CB 4Å; F43-F106 HydrophobicContact CE2-CB 3.37Å; F43-F106 AromaticContact CE2-CD2 3.94Å; F43-F106 HydrophobicContact CE2-CD2 3.94Å; F43-F106 AromaticContact CE2-CG 3.92Å; F43-F106 HydrophobicContact CE2-CG 3.92Å; F43-F106 HydrophobicContact CZ-CB 3.38Å; F43-F106 HydrophobicContact CZ-CG 4.27Å; F43-F106 PolarHBondContact N-O 2.93Å; F43-F106 PolarHBondContact O-N 3.05Å; F43-M114 HydrophobicContact CE2-CE 3.99Å; F43-M114 HydrophobicContact CZ-CE 3.7Å; F43-L137 HydrophobicContact CD2-CD1 4.12Å; F43-L137 HydrophobicContact CD2-CD2 3.83Å; F43-L137 HydrophobicContact CE2-CD1 3.22Å; F43-L137 HydrophobicContact CE2-CD2 3.73Å; F43-L137 HydrophobicContact CE2-CG 4.03Å; F43-L137 HydrophobicContact CZ-CD1 3.72Å; F43-W157 HydrophobicContact CB-CZ3 4.13Å; F43-W157 HydrophobicContact CD2-CH2 4.28Å; F43-W157 HydrophobicContact CD2-CZ3 4.26Å
44	G	89.9	Confident	85.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	156.2	-175.8	0	0	0	0	0	113.5	F104 H158	G44-F104 CarbonylContact C-O 3.52Å; G44-F104 WeakPolarHBondContact CA-O 3.33Å; G44-H158 PolarHBondContact O-N 2.67Å; G44-H158 VanDerWaalsContact O-N 3.17Å
45	F	90.3	Very high	83.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.2	177.3	59.8	-97.7	0	0	0	109.7	L58 I60 Y103 F104 F106 L155 E156	F45-L58 HydrophobicContact CE2-CD2 3.48Å; F45-L58 VanDerWaalsContact CE2-CD2 3.48Å; F45-L58 HydrophobicContact CZ-CD2 3.72Å; F45-I60 HydrophobicContact CE1-CD1 3.42Å; F45-I60 VanDerWaalsContact CE1-CD1 3.42Å; F45-I60 HydrophobicContact CE1-CG1 3.97Å; F45-I60 HydrophobicContact CE1-CG2 4.42Å; F45-I60 HydrophobicContact CE2-CD1 4.33Å; F45-I60 HydrophobicContact CZ-CD1 3.31Å; F45-I60 HydrophobicContact CZ-CG1 3.71Å; F45-Y103 VanDerWaalsContact O-CD2 3.25Å; F45-Y103 WeakPolarHBondContact O-CD2 3.33Å; F45-F104 HydrophobicContact CD2-CB 4.35Å; F45-F104 AromaticContact CD2-CD2 3.98Å; F45-F104 HydrophobicContact CD2-CD2 3.98Å; F45-F104 HydrophobicContact CE1-CB 4.09Å; F45-F104 HydrophobicContact CE2-CB 3.85Å; F45-F104 AromaticContact CE2-CD2 3.28Å; F45-F104 HydrophobicContact CE2-CD2 3.28Å; F45-F104 HydrophobicContact CE2-CE2 4.01Å; F45-F104 AromaticContact CE2-CG 3.71Å; F45-F104 HydrophobicContact CE2-CG 3.71Å; F45-F104 HydrophobicContact CZ-CB 3.69Å; F45-F104 AromaticContact CZ-CD2 3.84Å; F45-F104 HydrophobicContact CZ-CD2 3.84Å; F45-F104 AromaticContact CZ-CG 3.75Å; F45-F104 HydrophobicContact CZ-CG 3.75Å; F45-F104 PolarHBondContact N-O 2.91Å; F45-F104 VanDerWaalsContact N-O 3.08Å; F45-F104 PolarHBondContact O-N 3.05Å; F45-F106 HydrophobicContact CD1-CE2 4.34Å; F45-F106 HydrophobicContact CE1-CD2 4.21Å; F45-F106 AromaticContact CE1-CE2 3.43Å; F45-F106 HydrophobicContact CE1-CE2 3.43Å; F45-F106 VanDerWaalsContact CE1-CE2 3.43Å; F45-F106 HydrophobicContact CE1-CZ 4.28Å; F45-F106 AromaticContact CZ-CE2 3.83Å; F45-F106 HydrophobicContact CZ-CE2 3.83Å; F45-F106 HydrophobicContact CZ-CZ 4.35Å; F45-L155 HydrophobicContact CD2-CD2 3.86Å; F45-L155 HydrophobicContact CE2-CD2 4.13Å; F45-E156 CarbonylContact C-O 3.53Å; F45-E156 WeakPolarHBondContact CA-O 3.49Å; F45-E156 WeakPolarHBondContact CB-O 3.42Å
46	R	91.1	Very high	82.6	Confident	94 Å²	94	60.1 Å²	60.1	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139	173.4	-176.6	175.2	-76.2	169.6	-5.2	109.3	I48 N102 Y103 L155 E156	R46-I48 HydrophobicContact CB-CG2 4.25Å; R46-I48 HydrophobicContact CG-CG2 3.99Å; R46-I48 PolarHBondContact O-N 3.25Å; R46-N102 WeakPolarHBondContact CA-O 3.26Å; R46-Y103 HydrophobicContact CB-CD2 4.05Å; R46-L155 WeakPolarHBondContact O-CA 3.48Å; R46-E156 PolarHBondContact N-O 3.43Å; R46-E156 PolarHBondContact O-N 2.82Å
47	I	89.8	Confident	81.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.2	165.2	-58.6	178.4	0	0	0	107	C50 L58 C98 G101 N102 F104 I153 L155	I47-C50 HydrophobicContact CG2-CB 3.8Å; I47-L58 HydrophobicContact CD1-CD2 4.43Å; I47-C98 HydrophobicContact CD1-CB 4.45Å; I47-G101 PolarHBondContact O-N 2.9Å; I47-N102 PolarHBondContact N-O 3.35Å; I47-F104 HydrophobicContact CD1-CE2 3.63Å; I47-F104 HydrophobicContact CD1-CZ 4.31Å; I47-F104 HydrophobicContact CG1-CE2 3.98Å; I47-I153 HydrophobicContact CG2-CG1 4.47Å; I47-L155 HydrophobicContact CG1-CD2 3.87Å
48	I	89.6	Confident	81.4	Confident	47 Å²	47	57.1 Å²	57.1	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-21.3	-178.8	62.2	171	0	0	0	112.2	I19 R46 K100 C154 E156	I19-I48 HydrophobicContact CD1-CD1 3.9Å; I19-I48 HydrophobicContact CG1-CD1 4.1Å; I19-I48 HydrophobicContact CG2-CD1 3.93Å; R46-I48 HydrophobicContact CB-CG2 4.25Å; R46-I48 HydrophobicContact CG-CG2 3.99Å; R46-I48 PolarHBondContact O-N 3.25Å; I48-K100 WeakPolarHBondContact O-CD 3.03Å; I48-K100 WeakPolarHBondContact O-CE 3.3Å; I48-C154 HydrophobicContact CD1-CB 4.19Å; I48-C154 WeakPolarHBondContact CD1-SG 3.34Å; I48-C154 HydrophobicContact CG1-CB 3.65Å; I48-C154 WeakPolarHBondContact CG1-O 3.35Å; I48-C154 VanDerWaalsContact CG1-SG 3.55Å; I48-C154 PolarHBondContact N-O 2.82Å; I48-E156 HydrophobicContact CD1-CB 4.03Å; I48-E156 HydrophobicContact CG1-CB 4.39Å; I48-E156 HydrophobicContact CG2-CB 3.63Å
49	E	85.1	Confident	81.4	Confident	60 Å²	60	51.5 Å²	51.5	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	130	172.7	-164.4	179.3	-171.8	0	0	108.1	R21 P152 I153 C154	R21-E49 IonicContact CZ-OE1 2.83Å; R21-E49 IonicContact CZ-OE2 3.16Å; R21-E49 IonicContact NE-OE1 3.43Å; R21-E49 IonicContact NE-OE2 3.77Å; R21-E49 PolarHBondContact NE-OE2 3.01Å; R21-E49 IonicContact NH2-OE1 3.85Å; R21-E49 PolarHBondContact NH2-OE1 3.04Å; R21-E49 IonicContact NH2-OE2 2.72Å; R21-E49 PolarHBondContact NH2-OE2 3.12Å; R21-E49 VanDerWaalsContact NH2-OE2 3.16Å; E49-P152 VanDerWaalsContact CD-CG 3.49Å; E49-P152 HydrophobicContact CG-CG 4.28Å; E49-P152 WeakPolarHBondContact OE1-CG 3.17Å; E49-I153 WeakPolarHBondContact O-CA 3.24Å; E49-I153 WeakPolarHBondContact O-CG1 3.4Å; E49-C154 HydrophobicContact CB-CB 3.42Å; E49-C154 VanDerWaalsContact CB-CB 3.42Å; E49-C154 PolarHBondContact N-O 3.38Å; E49-C154 PolarHBondContact O-N 3.17Å
50	C	80.2	Confident	81.5	Confident	18 Å²	18	45 Å²	45	12%	0.122	23%	0.225	C	C	.	.			trans	-152.9	150.2	164.1	66.1	0	0	0	0	107.2	I47 K100 I153	I47-C50 HydrophobicContact CG2-CB 3.8Å; C50-K100 PolarHBondContact SG-N 3.2Å; C50-I153 HydrophobicContact CB-CG1 4.38Å
51	D	72.2	Confident	81.5	Confident	63 Å²	63	40.1 Å²	40.1	34%	0.337	20%	0.198	S	C	.	.			trans	-98.6	131	173.3	-179.1	-14	0	0	0	108.6	E53 W54 P151	D51-E53 PolarHBondContact O-N 2.86Å; D51-E53 WeakPolarHBondContact OD1-CB 3.28Å; D51-E53 PolarHBondContact OD1-N 3.46Å; D51-W54 HydrophobicContact CB-CG 4.32Å; D51-W54 PolarHBondContact OD2-NE1 2.96Å; D51-P151 HydrophobicContact CB-CB 3.54Å; D51-P151 HydrophobicContact CB-CG 3.75Å
52	D	66.9	Low	81.6	Confident	108 Å²	108	38.3 Å²	38.3	58%	0.578	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14	-176.3	-77.9	-40.2	0	0	0	112.9	W54 K99	D52-W54 PolarHBondContact O-N 2.65Å; D52-K99 VanDerWaalsContact OD1-CD 3.3Å; D52-K99 WeakPolarHBondContact OD1-CD 3.43Å; D52-K99 IonicContact OD1-NZ 2.67Å; D52-K99 PolarHBondContact OD1-NZ 2.73Å
53	E	62.5	Low	81.7	Confident	121 Å²	121	32.2 Å²	32.2	57%	0.565	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	12.8	-179.3	-61.4	-165.2	163	0	0	114.2	D51	D51-E53 PolarHBondContact O-N 2.86Å; D51-E53 WeakPolarHBondContact OD1-CB 3.28Å; D51-E53 PolarHBondContact OD1-N 3.46Å
54	W	61.9	Low	81.9	Confident	26 Å²	26	32.9 Å²	32.9	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.6	-167.1	-72.3	76.5	0	0	0	113	D51 D52 Q143 A145 L149 A150 P151	D51-W54 HydrophobicContact CB-CG 4.32Å; D51-W54 PolarHBondContact OD2-NE1 2.96Å; D52-W54 PolarHBondContact O-N 2.65Å; W54-Q143 HydrophobicContact CB-CG 4.32Å; W54-Q143 HydrophobicContact CE3-CB 3.8Å; W54-Q143 HydrophobicContact CZ3-CB 4.5Å; W54-Q143 WeakPolarHBondContact CZ3-O 3.37Å; W54-A145 HydrophobicContact CE3-CB 4.2Å; W54-A145 VanDerWaalsContact CE3-N 3.27Å; W54-A145 HydrophobicContact CH2-CB 2.9Å; W54-A145 HydrophobicContact CZ2-CB 3.63Å; W54-A145 HydrophobicContact CZ3-CB 3.35Å; W54-L149 WeakPolarHBondContact CH2-O 3.24Å; W54-L149 WeakPolarHBondContact CZ2-O 3.29Å; W54-A150 HydrophobicContact CH2-CB 4.27Å; W54-A150 VanDerWaalsContact CH2-N 3.26Å; W54-A150 HydrophobicContact CZ3-CB 4.09Å; W54-P151 VanDerWaalsContact CD1-CG 3.5Å; W54-P151 HydrophobicContact CD2-CB 4.28Å; W54-P151 HydrophobicContact CD2-CG 3.34Å; W54-P151 HydrophobicContact CE3-CG 3.94Å; W54-P151 HydrophobicContact CG-CG 3.56Å; W54-P151 HydrophobicContact CH2-CG 4.41Å; W54-P151 HydrophobicContact CZ2-CB 4.1Å; W54-P151 HydrophobicContact CZ2-CG 3.92Å; W54-P151 HydrophobicContact CZ3-CG 4.37Å; W54-P151 VanDerWaalsContact NE1-CG 3.26Å
55	S	62.5	Low	82.1	Confident	41 Å²	41	33.6 Å²	33.6	29%	0.287	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.1	166.1	59.2	0	0	0	0	108.5	Q143 K144	S55-Q143 CarbonylContact O-C 3.5Å; S55-K144 PolarHBondContact N-O 3.43Å; S55-K144 VanDerWaalsContact N-O 3.08Å; S55-K144 CarbonylContact O-C 3.55Å; S55-K144 PolarHBondContact O-N 2.91Å; S55-K144 PolarHBondContact OG-O 2.86Å
56	G	66.8	Low	82.2	Confident	15 Å²	15	36.9 Å²	36.9	16%	0.155	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.7	155.4	-173.3	0	0	0	0	0	114.4	E95 F142	G56-E95 WeakPolarHBondContact CA-OE1 3.37Å; G56-E95 PolarHBondContact N-OE1 2.91Å; G56-E95 WeakPolarHBondContact O-CG 3.36Å; G56-F142 CarbonylContact C-O 3.27Å; G56-F142 WeakPolarHBondContact CA-O 3.48Å
57	A	73.3	Confident	82.3	Confident	19 Å²	19	32.6 Å²	32.6	16%	0.157	17%	0.173	C	C	.	.			trans	-120.1	124.5	179.8	0	0	0	0	0	109.4	R59 V93 F142	A57-R59 PolarHBondContact O-N 2.9Å; A57-R59 PolarHBondContact O-NH1 3.39Å; A57-V93 WeakPolarHBondContact CB-O 3.34Å; A57-F142 PolarHBondContact N-O 3.48Å; A57-F142 PolarHBondContact O-N 3.03Å
58	L	84.9	Confident	82.6	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.			trans	-57.2	122.3	158.5	177.4	64.1	0	0	0	107.8	F45 I47 I60 V93 I153 L155	F45-L58 HydrophobicContact CE2-CD2 3.48Å; F45-L58 VanDerWaalsContact CE2-CD2 3.48Å; F45-L58 HydrophobicContact CZ-CD2 3.72Å; I47-L58 HydrophobicContact CD1-CD2 4.43Å; L58-I60 HydrophobicContact CD1-CD1 4.07Å; L58-I60 HydrophobicContact CD2-CD1 3.98Å; L58-I60 HydrophobicContact CD2-CG1 4.38Å; L58-I60 HydrophobicContact CG-CD1 3.8Å; L58-I60 HydrophobicContact CG-CG1 4.17Å; L58-V93 WeakPolarHBondContact O-CB 3.2Å; L58-V93 PolarHBondContact O-N 3.46Å; L58-I153 HydrophobicContact CD1-CD1 4.42Å; L58-L155 HydrophobicContact CD1-CD1 4.01Å; L58-L155 HydrophobicContact CD2-CD2 4.18Å
59	R	89.7	Confident	82.8	Confident	55 Å²	55	38.4 Å²	38.4	21%	0.208	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.7	173.8	-78.7	159.3	-179.6	79.5	-15.6	109.9	A57 K91 T140 F142	A57-R59 PolarHBondContact O-N 2.9Å; A57-R59 PolarHBondContact O-NH1 3.39Å; R59-K91 VanDerWaalsContact CA-O 3.27Å; R59-K91 WeakPolarHBondContact CA-O 3.17Å; R59-T140 HydrophobicContact CB-CG2 3.65Å; R59-T140 PolarHBondContact N-O 3.03Å; R59-T140 PolarHBondContact O-N 2.83Å; R59-T140 VanDerWaalsContact O-O 3.07Å; R59-F142 HydrophobicContact CG-CD2 4.37Å; R59-F142 HydrophobicContact CG-CE2 4.35Å; R59-F142 VanDerWaalsContact CZ-CD2 3.45Å; R59-F142 VanDerWaalsContact NE-CE2 3.34Å
60	I	90.8	Very high	83.1	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.4	179.3	-54.8	-61.9	0	0	0	107.6	F45 L58 A90 K91 V93 F106 M114 F126 L137 V138 N139	F45-I60 HydrophobicContact CE1-CD1 3.42Å; F45-I60 VanDerWaalsContact CE1-CD1 3.42Å; F45-I60 HydrophobicContact CE1-CG1 3.97Å; F45-I60 HydrophobicContact CE1-CG2 4.42Å; F45-I60 HydrophobicContact CE2-CD1 4.33Å; F45-I60 HydrophobicContact CZ-CD1 3.31Å; F45-I60 HydrophobicContact CZ-CG1 3.71Å; L58-I60 HydrophobicContact CD1-CD1 4.07Å; L58-I60 HydrophobicContact CD2-CD1 3.98Å; L58-I60 HydrophobicContact CD2-CG1 4.38Å; L58-I60 HydrophobicContact CG-CD1 3.8Å; L58-I60 HydrophobicContact CG-CG1 4.17Å; I60-A90 WeakPolarHBondContact O-CA 3.42Å; I60-K91 PolarHBondContact N-O 3.03Å; I60-K91 PolarHBondContact O-N 3.45Å; I60-V93 HydrophobicContact CG1-CG2 3.85Å; I60-F106 HydrophobicContact CB-CZ 4.12Å; I60-F106 HydrophobicContact CG1-CZ 4.07Å; I60-F106 HydrophobicContact CG2-CE1 4.08Å; I60-F106 HydrophobicContact CG2-CE2 4.01Å; I60-F106 HydrophobicContact CG2-CZ 3.77Å; I60-M114 HydrophobicContact CG2-CE 3.78Å; I60-F126 HydrophobicContact CB-CE1 3.95Å; I60-F126 HydrophobicContact CB-CZ 4.4Å; I60-F126 WeakPolarHBondContact O-CE1 2.87Å; I60-L137 HydrophobicContact CG2-CD1 3.85Å; I60-V138 CarbonylContact C-O 3.57Å; I60-N139 HydrophobicContact CD1-CB 3.89Å; I60-N139 VanDerWaalsContact CD1-OD1 3.27Å; I60-N139 WeakPolarHBondContact CD1-OD1 3.4Å
61	G	91.9	Very high	83.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	171.3	-177	0	0	0	0	0	114	W89 L137 V138	G61-W89 CarbonylContact C-O 3.55Å; G61-W89 VanDerWaalsContact C-O 3.27Å; G61-W89 WeakPolarHBondContact CA-O 3.42Å; G61-L137 VanDerWaalsContact O-CD1 3.3Å; G61-L137 WeakPolarHBondContact O-CD1 3.49Å; G61-V138 PolarHBondContact N-O 3.06Å; G61-V138 PolarHBondContact O-N 3.48Å
62	I	93.3	Very high	84.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.2	174.3	-60.2	-66.8	0	0	0	108	F43 S88 W89 V108 M114 I130 L135 T136 L137	F43-I62 HydrophobicContact CZ-CD1 4.05Å; I62-S88 CarbonylContact O-C 3.51Å; I62-S88 VanDerWaalsContact O-CA 3.31Å; I62-S88 WeakPolarHBondContact O-CA 3.35Å; I62-W89 PolarHBondContact N-O 3.33Å; I62-W89 PolarHBondContact O-N 3.01Å; I62-V108 HydrophobicContact CD1-CG2 4.15Å; I62-V108 HydrophobicContact CG1-CG2 4.03Å; I62-M114 HydrophobicContact CD1-CE 4.3Å; I62-M114 HydrophobicContact CD1-SD 4.16Å; I62-M114 HydrophobicContact CG1-CE 4.37Å; I62-M114 HydrophobicContact CG1-SD 3.64Å; I62-I130 HydrophobicContact CB-CD1 4.5Å; I62-I130 HydrophobicContact CB-CG2 4.42Å; I62-I130 HydrophobicContact CG1-CD1 4.25Å; I62-I130 HydrophobicContact CG2-CG2 4.05Å; I62-L135 HydrophobicContact CG2-CB 3.97Å; I62-L135 HydrophobicContact CG2-CD2 3.85Å; I62-L135 HydrophobicContact CG2-CG 4.49Å; I62-T136 CarbonylContact C-O 3.58Å; I62-T136 WeakPolarHBondContact CA-O 3.35Å; I62-L137 HydrophobicContact CD1-CD1 3.85Å
63	T	93.7	Very high	86	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.6	172.3	-171.8	0	0	0	0	110.7	F32 L65 R87 S88 T136 V138	F32-T63 HydrophobicContact CD1-CG2 4.32Å; F32-T63 HydrophobicContact CE1-CG2 4.29Å; T63-L65 VanDerWaalsContact C-N 3.31Å; T63-L65 HydrophobicContact CG2-CB 4.19Å; T63-L65 VanDerWaalsContact OG1-CB 3.3Å; T63-L65 WeakPolarHBondContact OG1-CB 3.36Å; T63-L65 WeakPolarHBondContact OG1-CD1 3.35Å; T63-L65 VanDerWaalsContact OG1-CG 3.27Å; T63-L65 WeakPolarHBondContact OG1-CG 3.39Å; T63-L65 PolarHBondContact OG1-N 3.01Å; T63-R87 CarbonylContact C-O 3.55Å; T63-R87 WeakPolarHBondContact CA-O 3.31Å; T63-R87 PolarHBondContact OG1-O 2.79Å; T63-S88 WeakPolarHBondContact CB-OG 3.44Å; T63-S88 PolarHBondContact OG1-OG 2.83Å; T63-T136 HydrophobicContact CG2-CG2 4.24Å; T63-T136 PolarHBondContact N-O 2.84Å; T63-T136 PolarHBondContact O-N 3.42Å; T63-V138 HydrophobicContact CG2-CG2 3.3Å
64	N	94	Very high	87.4	Confident	22 Å²	22	44.6 Å²	44.6	12%	0.118	23%	0.23	C	C	.	.			trans	-90.8	3.6	166.2	-52.7	140.9	0	0	0	112.8	R87 W89 N131 N133 G134	N64-R87 PolarHBondContact N-O 2.86Å; N64-R87 PolarHBondContact O-NH2 3.17Å; N64-W89 WeakPolarHBondContact OD1-CH2 3.42Å; N64-W89 VanDerWaalsContact OD1-CZ3 3.32Å; N64-W89 WeakPolarHBondContact OD1-CZ3 3.27Å; N64-N131 PolarHBondContact ND2-O 2.77Å; N64-N131 VanDerWaalsContact ND2-O 3.1Å; N64-N131 WeakPolarHBondContact OD1-CB 3.43Å; N64-N133 VanDerWaalsContact CG-O 3.27Å; N64-N133 PolarHBondContact ND2-O 3.48Å; N64-G134 VanDerWaalsContact CA-O 3.3Å; N64-G134 WeakPolarHBondContact CA-O 3.35Å; N64-G134 PolarHBondContact ND2-O 2.79Å
65	L	93.1	Very high	88.7	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.084	23%	0.234	C	C	.	.	S	Bend	trans	-74.4	137.8	173.7	-60.4	167.5	0	0	0	109.9	T63 I70 L82 T85 R87	T63-L65 VanDerWaalsContact C-N 3.31Å; T63-L65 HydrophobicContact CG2-CB 4.19Å; T63-L65 VanDerWaalsContact OG1-CB 3.3Å; T63-L65 WeakPolarHBondContact OG1-CB 3.36Å; T63-L65 WeakPolarHBondContact OG1-CD1 3.35Å; T63-L65 VanDerWaalsContact OG1-CG 3.27Å; T63-L65 WeakPolarHBondContact OG1-CG 3.39Å; T63-L65 PolarHBondContact OG1-N 3.01Å; L65-I70 HydrophobicContact CB-CD1 4.4Å; L65-I70 HydrophobicContact CD1-CD1 4.34Å; L65-L82 HydrophobicContact CD1-CD1 3.62Å; L65-L82 HydrophobicContact CD1-CG 4.3Å; L65-T85 HydrophobicContact CD1-CG2 4.39Å; L65-R87 HydrophobicContact CD2-CB 4.29Å; L65-R87 HydrophobicContact CG-CB 4.25Å
66	N	92.4	Very high	89.9	Confident	69 Å²	69	48.4 Å²	48.4	37%	0.369	25%	0.245	S	C	.	.			trans	-80.7	123.5	165.6	179.2	-8.6	0	0	0	107.9	L68 D69	N66-L68 PolarHBondContact O-N 2.76Å; N66-L68 PolarHBondContact OD1-N 2.88Å; N66-D69 WeakPolarHBondContact CB-OD2 3.33Å; N66-D69 WeakPolarHBondContact O-CB 3.42Å; N66-D69 PolarHBondContact O-N 2.76Å
67	P	93.4	Very high	90.9	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.026	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.2	-179.9	-26.5	34.8	0	0	0	113.6	V6 F32 D69 I70 R71 T136	V6-P67 HydrophobicContact CB-CB 3.95Å; V6-P67 HydrophobicContact CG1-CB 4.21Å; V6-P67 WeakPolarHBondContact CG1-O 3.49Å; V6-P67 HydrophobicContact CG2-CB 4.48Å; F32-P67 HydrophobicContact CB-CB 4.29Å; F32-P67 HydrophobicContact CB-CG 3.6Å; F32-P67 HydrophobicContact CD1-CB 4.48Å; F32-P67 HydrophobicContact CD1-CG 3.86Å; F32-P67 HydrophobicContact CD2-CB 4.03Å; F32-P67 HydrophobicContact CD2-CG 4.14Å; F32-P67 HydrophobicContact CG-CB 4.02Å; F32-P67 HydrophobicContact CG-CG 3.6Å; P67-D69 VanDerWaalsContact C-N 3.27Å; P67-D69 PolarHBondContact O-N 3.05Å; P67-I70 PolarHBondContact O-N 3.34Å; P67-R71 PolarHBondContact O-N 2.82Å; P67-T136 HydrophobicContact CG-CG2 4.03Å
68	L	95.6	Very high	91.4	Very high	48 Å²	48	49.3 Å²	49.3	25%	0.251	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27	177.1	-66.7	175.8	0	0	0	113.7	V6 N66 R71	V6-L68 HydrophobicContact CG2-CD2 4.01Å; N66-L68 PolarHBondContact O-N 2.76Å; N66-L68 PolarHBondContact OD1-N 2.88Å; L68-R71 WeakPolarHBondContact O-CD 3.48Å; L68-R71 WeakPolarHBondContact O-CG 3.33Å; L68-R71 PolarHBondContact O-NH1 3.27Å
69	D	94	Very high	91.4	Very high	120 Å²	120	50.5 Å²	50.5	64%	0.642	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-30.1	-178.6	-59.8	-11.6	0	0	0	111.1	N66 P67	N66-D69 WeakPolarHBondContact CB-OD2 3.33Å; N66-D69 WeakPolarHBondContact O-CB 3.42Å; N66-D69 PolarHBondContact O-N 2.76Å; P67-D69 VanDerWaalsContact C-N 3.27Å; P67-D69 PolarHBondContact O-N 3.05Å
70	I	92.5	Very high	91.2	Very high	32 Å²	32	51.3 Å²	51.3	16%	0.164	26%	0.261	C	S	.	.	S	Bend	trans	-105.1	9.6	-177.4	60.9	170.4	0	0	0	113.3	F32 L65 P67 N72 D73 L74	F32-I70 HydrophobicContact CE1-CD1 4.26Å; F32-I70 HydrophobicContact CZ-CD1 3.85Å; L65-I70 HydrophobicContact CB-CD1 4.4Å; L65-I70 HydrophobicContact CD1-CD1 4.34Å; P67-I70 PolarHBondContact O-N 3.34Å; I70-N72 PolarHBondContact O-N 3.36Å; I70-N72 VanDerWaalsContact O-N 3.11Å; I70-D73 CarbonylContact O-C 3.32Å; I70-D73 VanDerWaalsContact O-C 3.32Å; I70-D73 PolarHBondContact O-N 3.04Å; I70-L74 HydrophobicContact CB-CD2 4.37Å; I70-L74 HydrophobicContact CD1-CD2 3.64Å; I70-L74 HydrophobicContact CG1-CD2 3.72Å; I70-L74 PolarHBondContact O-N 2.84Å
71	R	94	Very high	91.1	Very high	145 Å²	145	54 Å²	54	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.4	-170.5	68.6	-178.5	-178.7	-107.5	7.4	114.9	V6 P67 L68	V6-R71 HydrophobicContact CG1-CB 3.9Å; V6-R71 HydrophobicContact CG2-CB 3.86Å; P67-R71 PolarHBondContact O-N 2.82Å; L68-R71 WeakPolarHBondContact O-CD 3.48Å; L68-R71 WeakPolarHBondContact O-CG 3.33Å; L68-R71 PolarHBondContact O-NH1 3.27Å
72	N	93.5	Very high	90.8	Very high	147 Å²	147	54.2 Å²	54.2	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.2	-178.5	-65.6	-22.8	0	0	0	112.7	I70	I70-N72 PolarHBondContact O-N 3.36Å; I70-N72 VanDerWaalsContact O-N 3.11Å
73	D	92	Very high	90.7	Very high	138 Å²	138	57 Å²	57	74%	0.738	29%	0.291	S	S	*	.	S	Bend	trans	-140.1	53.4	-175.1	-167.8	28.4	0	0	0	110.3	I70	I70-D73 CarbonylContact O-C 3.32Å; I70-D73 VanDerWaalsContact O-C 3.32Å; I70-D73 PolarHBondContact O-N 3.04Å
74	L	91.9	Very high	90.6	Very high	39 Å²	39	62.6 Å²	62.6	20%	0.204	32%	0.321	C	S	.	.			trans	-71	129.2	175.7	-73.2	179.4	0	0	0	109.7	V6 H7 F32 I70	V6-L74 HydrophobicContact CG1-CD1 3.92Å; V6-L74 HydrophobicContact CG1-CD2 4.26Å; V6-L74 HydrophobicContact CG1-CG 4.4Å; H7-L74 VanDerWaalsContact O-CD1 3.22Å; H7-L74 WeakPolarHBondContact O-CD1 3.42Å; F32-L74 HydrophobicContact CE2-CD2 3.77Å; F32-L74 HydrophobicContact CZ-CD2 3.91Å; I70-L74 HydrophobicContact CB-CD2 4.37Å; I70-L74 HydrophobicContact CD1-CD2 3.64Å; I70-L74 HydrophobicContact CG1-CD2 3.72Å; I70-L74 PolarHBondContact O-N 2.84Å
75	P	90.2	Very high	90.3	Very high	28 Å²	28	64.4 Å²	64.4	18%	0.182	33%	0.333	C	S	.	.			trans	-63.7	160.2	177.7	18.9	-24	0	0	0	111.6	L30 Y77 D81 L82	L30-P75 HydrophobicContact CD1-CB 4.46Å; L30-P75 HydrophobicContact CD1-CG 3.71Å; L30-P75 WeakPolarHBondContact CD1-O 3.28Å; P75-Y77 PolarHBondContact O-N 3.17Å; P75-D81 HydrophobicContact CB-CB 3.43Å; P75-D81 VanDerWaalsContact CB-CB 3.43Å; P75-D81 HydrophobicContact CG-CB 4.31Å; P75-L82 HydrophobicContact CG-CB 4.34Å; P75-L82 HydrophobicContact CG-CD1 3.77Å
76	K	87.2	Confident	90.1	Very high	118 Å²	118	72.1 Å²	72.1	51%	0.513	37%	0.368	S	S	.	.	S	Bend	trans	-66.5	-29.6	176.3	-68.8	180	-175.9	173.4	0	110.9	K28 D81	K28-K76 HydrophobicContact CG-CG 4.28Å; K28-K76 PolarHBondContact N-O 2.76Å; K76-D81 PolarHBondContact N-OD2 3.46Å
77	Y	86.9	Confident	90.1	Very high	52 Å²	52	74.3 Å²	74.3	20%	0.204	37%	0.371	C	S	.	.			trans	-141.5	152.6	-168	-62.8	-55.2	0	0	0	112.4	F26 C27 P75 D81 F142	F26-Y77 HydrophobicContact CD2-CE1 4.4Å; F26-Y77 HydrophobicContact CE2-CE1 4.5Å; F26-Y77 VanDerWaalsContact CE2-OH 3.22Å; F26-Y77 WeakPolarHBondContact CE2-OH 3.5Å; C27-Y77 HydrophobicContact CB-CD1 4.11Å; C27-Y77 HydrophobicContact CB-CE1 3.28Å; P75-Y77 PolarHBondContact O-N 3.17Å; Y77-D81 WeakPolarHBondContact CB-OD2 2.92Å; Y77-D81 PolarHBondContact N-OD2 3.12Å; Y77-D81 WeakPolarHBondContact O-CB 3.21Å; Y77-F142 VanDerWaalsContact CB-CZ 3.44Å; Y77-F142 AromaticContact CD1-CD1 3.64Å; Y77-F142 HydrophobicContact CD1-CD1 3.64Å; Y77-F142 AromaticContact CD1-CE1 3.02Å; Y77-F142 HydrophobicContact CD1-CE1 3.02Å; Y77-F142 AromaticContact CD1-CE2 4Å; Y77-F142 HydrophobicContact CD1-CE2 4Å; Y77-F142 HydrophobicContact CD1-CG 4.42Å; Y77-F142 AromaticContact CD1-CZ 3.31Å; Y77-F142 HydrophobicContact CD1-CZ 3.31Å; Y77-F142 HydrophobicContact CD2-CE1 4.41Å; Y77-F142 AromaticContact CE1-CD1 3.81Å; Y77-F142 HydrophobicContact CE1-CD1 3.81Å; Y77-F142 AromaticContact CE1-CE1 3.56Å; Y77-F142 HydrophobicContact CE1-CE1 3.56Å; Y77-F142 HydrophobicContact CE1-CZ 4.28Å; Y77-F142 AromaticContact CG-CE1 3.52Å; Y77-F142 HydrophobicContact CG-CE1 3.52Å; Y77-F142 AromaticContact CG-CZ 3.59Å; Y77-F142 HydrophobicContact CG-CZ 3.59Å
78	A	84.7	Confident	90.2	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.008	37%	0.372	C	S	.	.	I	π-helix	trans	-74.4	-35.6	167.5	0	0	0	0	0	111.8	L30 L82 I83 A90 T140	L30-A78 HydrophobicContact CD2-CB 3.93Å; A78-L82 VanDerWaalsContact O-CB 3.28Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 PolarHBondContact O-N 2.76Å; A78-L82 VanDerWaalsContact O-N 3.15Å; A78-I83 PolarHBondContact O-N 3.06Å; A78-A90 HydrophobicContact CB-CB 4.13Å; A78-T140 HydrophobicContact CB-CG2 3.32Å
79	C	83.6	Confident	90.1	Very high	27 Å²	27	74.4 Å²	74.4	18%	0.182	37%	0.369	C	S	.	.	I	π-helix	trans	-122.5	125.4	178.9	-47.9	0	0	0	0	109.1	I83 F142	C79-I83 HydrophobicContact CB-CD1 4.09Å; C79-I83 WeakPolarHBondContact SG-CD1 3.48Å; C79-F142 WeakPolarHBondContact O-CZ 3.4Å
80	P	86.6	Confident	90	Very high	72 Å²	72	69.4 Å²	69.4	47%	0.468	34%	0.344	S	S	.	.	I	π-helix	cis	-86.2	-17.3	1.3	35.2	-35	0	0	0	113.5	L82 I83 N84	P80-L82 PolarHBondContact O-N 2.82Å; P80-I83 PolarHBondContact O-N 3.23Å; P80-I83 VanDerWaalsContact O-N 3.07Å; P80-N84 VanDerWaalsContact O-CG 3.31Å; P80-N84 PolarHBondContact O-N 3.07Å; P80-N84 PolarHBondContact O-OD1 3.19Å
81	D	88.6	Confident	89.9	Confident	57 Å²	57	73.3 Å²	73.3	31%	0.305	36%	0.36	S	S	.	.	I	π-helix	trans	-53.2	-51.1	-161.8	-42.9	-16.4	0	0	0	113.7	P75 K76 Y77 N84	P75-D81 HydrophobicContact CB-CB 3.43Å; P75-D81 VanDerWaalsContact CB-CB 3.43Å; P75-D81 HydrophobicContact CG-CB 4.31Å; K76-D81 PolarHBondContact N-OD2 3.46Å; Y77-D81 WeakPolarHBondContact CB-OD2 2.92Å; Y77-D81 PolarHBondContact N-OD2 3.12Å; Y77-D81 WeakPolarHBondContact O-CB 3.21Å; D81-N84 PolarHBondContact O-N 2.84Å
82	L	86.2	Confident	89.7	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.348	C	S	.	.	I	π-helix	trans	-73.4	-36.1	-178	-158.3	75.1	0	0	0	111.9	L65 P75 A78 P80 N84 T85 S88 V138	L65-L82 HydrophobicContact CD1-CD1 3.62Å; L65-L82 HydrophobicContact CD1-CG 4.3Å; P75-L82 HydrophobicContact CG-CB 4.34Å; P75-L82 HydrophobicContact CG-CD1 3.77Å; A78-L82 VanDerWaalsContact O-CB 3.28Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 PolarHBondContact O-N 2.76Å; A78-L82 VanDerWaalsContact O-N 3.15Å; P80-L82 PolarHBondContact O-N 2.82Å; L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.99Å; L82-T85 WeakPolarHBondContact O-CB 3.37Å; L82-T85 WeakPolarHBondContact O-CG2 3.29Å; L82-T85 PolarHBondContact O-N 3.26Å; L82-T85 PolarHBondContact O-OG1 3.48Å; L82-S88 WeakPolarHBondContact CG-OG 3.37Å; L82-S88 VanDerWaalsContact O-CB 3.31Å; L82-S88 WeakPolarHBondContact O-CB 3.34Å; L82-S88 PolarHBondContact O-OG 2.84Å; L82-V138 HydrophobicContact CD2-CB 4.34Å; L82-V138 HydrophobicContact CD2-CG1 3.86Å; L82-V138 HydrophobicContact CD2-CG2 3.86Å
83	I	89.9	Confident	89.3	Confident	58 Å²	58	60.9 Å²	60.9	30%	0.297	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62.5	-39	175.7	-66.9	175.7	0	0	0	110.9	A78 C79 P80 T85 Q86 A90	A78-I83 PolarHBondContact O-N 3.06Å; C79-I83 HydrophobicContact CB-CD1 4.09Å; C79-I83 WeakPolarHBondContact SG-CD1 3.48Å; P80-I83 PolarHBondContact O-N 3.23Å; P80-I83 VanDerWaalsContact O-N 3.07Å; I83-T85 PolarHBondContact O-N 2.95Å; I83-Q86 PolarHBondContact O-N 3.44Å; I83-A90 HydrophobicContact CD1-CB 4.2Å; I83-A90 WeakPolarHBondContact CD1-O 3.34Å; I83-A90 HydrophobicContact CG1-CB 4.29Å
84	N	91.8	Very high	89	Confident	117 Å²	117	55.8 Å²	55.8	63%	0.626	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.3	-179.9	-72.5	-6.4	0	0	0	113.5	P80 D81 L82 Q86	P80-N84 VanDerWaalsContact O-CG 3.31Å; P80-N84 PolarHBondContact O-N 3.07Å; P80-N84 PolarHBondContact O-OD1 3.19Å; D81-N84 PolarHBondContact O-N 2.84Å; L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.99Å; N84-Q86 PolarHBondContact O-N 3.45Å
85	T	88.1	Confident	88.6	Confident	61 Å²	61	59 Å²	59	37%	0.374	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.7	-9.3	171.1	69.3	0	0	0	0	113.5	L65 L82 I83 R87 S88	L65-T85 HydrophobicContact CD1-CG2 4.39Å; L82-T85 WeakPolarHBondContact O-CB 3.37Å; L82-T85 WeakPolarHBondContact O-CG2 3.29Å; L82-T85 PolarHBondContact O-N 3.26Å; L82-T85 PolarHBondContact O-OG1 3.48Å; I83-T85 PolarHBondContact O-N 2.95Å; T85-R87 PolarHBondContact O-N 3.1Å; T85-R87 PolarHBondContact OG1-N 2.8Å; T85-S88 PolarHBondContact OG1-OG 3.33Å
86	Q	89.7	Confident	88.5	Confident	177 Å²	177	66 Å²	66	83%	0.827	33%	0.328	S	S	*	.	S	Bend	trans	56.8	11.1	-172.4	-58.8	-175.9	-27.4	0	0	114.5	I83 N84	I83-Q86 PolarHBondContact O-N 3.44Å; N84-Q86 PolarHBondContact O-N 3.45Å
87	R	92.7	Very high	88.6	Confident	115 Å²	115	61.5 Å²	61.5	43%	0.434	31%	0.308	S	S	.	.	S	Bend	trans	-114.8	9	177.9	-65.1	-174.4	65.9	-165.4	-0.2	112.3	T63 N64 L65 T85 W89	T63-R87 CarbonylContact C-O 3.55Å; T63-R87 WeakPolarHBondContact CA-O 3.31Å; T63-R87 PolarHBondContact OG1-O 2.79Å; N64-R87 PolarHBondContact N-O 2.86Å; N64-R87 PolarHBondContact O-NH2 3.17Å; L65-R87 HydrophobicContact CD2-CB 4.29Å; L65-R87 HydrophobicContact CG-CB 4.25Å; T85-R87 PolarHBondContact O-N 3.1Å; T85-R87 PolarHBondContact OG1-N 2.8Å; R87-W89 VanDerWaalsContact O-CZ3 3.32Å; R87-W89 WeakPolarHBondContact O-CZ3 3.3Å
88	S	93.6	Very high	88.5	Confident	5 Å²	5	59.6 Å²	59.6	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.8	-174.6	-46.4	0	0	0	0	111.9	I62 T63 L82 T85	I62-S88 CarbonylContact O-C 3.51Å; I62-S88 VanDerWaalsContact O-CA 3.31Å; I62-S88 WeakPolarHBondContact O-CA 3.35Å; T63-S88 WeakPolarHBondContact CB-OG 3.44Å; T63-S88 PolarHBondContact OG1-OG 2.83Å; L82-S88 WeakPolarHBondContact CG-OG 3.37Å; L82-S88 VanDerWaalsContact O-CB 3.31Å; L82-S88 WeakPolarHBondContact O-CB 3.34Å; L82-S88 PolarHBondContact O-OG 2.84Å; T85-S88 PolarHBondContact OG1-OG 3.33Å
89	W	94	Very high	88.5	Confident	50 Å²	50	63.6 Å²	63.6	19%	0.189	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.8	-179.6	-58.3	-101.3	0	0	0	107.1	G61 I62 N64 R87 L127 G129 I130 N131	G61-W89 CarbonylContact C-O 3.55Å; G61-W89 VanDerWaalsContact C-O 3.27Å; G61-W89 WeakPolarHBondContact CA-O 3.42Å; I62-W89 PolarHBondContact N-O 3.33Å; I62-W89 PolarHBondContact O-N 3.01Å; N64-W89 WeakPolarHBondContact OD1-CH2 3.42Å; N64-W89 VanDerWaalsContact OD1-CZ3 3.32Å; N64-W89 WeakPolarHBondContact OD1-CZ3 3.27Å; R87-W89 VanDerWaalsContact O-CZ3 3.32Å; R87-W89 WeakPolarHBondContact O-CZ3 3.3Å; W89-L127 HydrophobicContact CB-CD1 3.97Å; W89-L127 HydrophobicContact CB-CD2 4.49Å; W89-L127 WeakPolarHBondContact O-CD1 3.12Å; W89-G129 PolarHBondContact NE1-O 2.57Å; W89-I130 HydrophobicContact CB-CG1 4.22Å; W89-I130 HydrophobicContact CD2-CB 4.37Å; W89-I130 HydrophobicContact CD2-CG1 4.14Å; W89-I130 HydrophobicContact CD2-CG2 4.36Å; W89-I130 HydrophobicContact CE3-CG2 4.06Å; W89-I130 HydrophobicContact CG-CG1 3.94Å; W89-I130 HydrophobicContact CZ3-CG2 4.33Å; W89-N131 HydrophobicContact CH2-CB 3.54Å; W89-N131 HydrophobicContact CZ2-CB 3.93Å; W89-N131 HydrophobicContact CZ3-CB 4.47Å
90	A	92.6	Very high	88.7	Confident	14 Å²	14	69.5 Å²	69.5	12%	0.116	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.6	179.1	0	0	0	0	0	111	I60 A78 I83	I60-A90 WeakPolarHBondContact O-CA 3.42Å; A78-A90 HydrophobicContact CB-CB 4.13Å; I83-A90 HydrophobicContact CD1-CB 4.2Å; I83-A90 WeakPolarHBondContact CD1-O 3.34Å; I83-A90 HydrophobicContact CG1-CB 4.29Å
91	K	90.2	Very high	88.8	Confident	114 Å²	114	68 Å²	68	50%	0.496	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151	178.2	-175.7	175.6	177.6	176.8	0	110.6	R59 I60 F126 L127	R59-K91 VanDerWaalsContact CA-O 3.27Å; R59-K91 WeakPolarHBondContact CA-O 3.17Å; I60-K91 PolarHBondContact N-O 3.03Å; I60-K91 PolarHBondContact O-N 3.45Å; K91-F126 HydrophobicContact CB-CE1 4.1Å; K91-F126 HydrophobicContact CB-CE2 4.4Å; K91-F126 HydrophobicContact CB-CZ 3.89Å; K91-F126 HydrophobicContact CD-CE2 4.43Å; K91-F126 HydrophobicContact CG-CE2 4.44Å; K91-F126 HydrophobicContact CG-CZ 4.35Å; K91-F126 WeakPolarHBondContact O-CZ 3.4Å; K91-L127 HydrophobicContact CB-CD2 3.71Å
92	G	88.9	Confident	89	Confident	29 Å²	29	66.6 Å²	66.6	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.6	170.7	0	0	0	0	0	111.2
93	V	86.9	Confident	89.2	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.012	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-74.8	137.5	164.1	177	0	0	0	0	107.7	A57 L58 I60 E95 Y97 F104 F126	A57-V93 WeakPolarHBondContact CB-O 3.34Å; L58-V93 WeakPolarHBondContact O-CB 3.2Å; L58-V93 PolarHBondContact O-N 3.46Å; I60-V93 HydrophobicContact CG1-CG2 3.85Å; V93-E95 PolarHBondContact O-N 2.8Å; V93-Y97 HydrophobicContact CG1-CD2 4.04Å; V93-Y97 HydrophobicContact CG1-CG 4.44Å; V93-F104 HydrophobicContact CG1-CD1 4.41Å; V93-F104 HydrophobicContact CG1-CE1 3.41Å; V93-F104 VanDerWaalsContact CG1-CE1 3.41Å; V93-F104 HydrophobicContact CG1-CZ 3.82Å; V93-F104 HydrophobicContact CG2-CE1 4.4Å; V93-F126 HydrophobicContact CG2-CE2 4.11Å; V93-F126 HydrophobicContact CG2-CZ 3.8Å
94	G	85.5	Confident	89.3	Confident	31 Å²	31	65.4 Å²	65.4	32%	0.32	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-57.2	134.3	177.5	0	0	0	0	0	111.7	R96 Y97	G94-R96 PolarHBondContact O-N 2.83Å; G94-Y97 PolarHBondContact O-N 2.86Å
95	E	83.8	Confident	89.4	Confident	108 Å²	108	60.3 Å²	60.3	51%	0.505	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-54.7	-32.7	-173.3	-51.7	-167.9	150.8	0	0	112.9	G56 V93 Y97 C98	G56-E95 WeakPolarHBondContact CA-OE1 3.37Å; G56-E95 PolarHBondContact N-OE1 2.91Å; G56-E95 WeakPolarHBondContact O-CG 3.36Å; V93-E95 PolarHBondContact O-N 2.8Å; E95-Y97 PolarHBondContact O-N 2.98Å; E95-C98 WeakPolarHBondContact O-CB 3.44Å; E95-C98 PolarHBondContact O-N 3.08Å
96	R	86.7	Confident	89.7	Confident	173 Å²	173	57.5 Å²	57.5	65%	0.653	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54	-24.2	173.8	69.4	-180	-177.2	-95.2	1.1	114.7	G94	G94-R96 PolarHBondContact O-N 2.83Å
97	Y	88.7	Confident	89.9	Confident	24 Å²	24	50.3 Å²	50.3	9%	0.094	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-94.9	-12.2	176.9	-56.3	-58.3	0	0	0	112.8	V93 G94 E95 K99 N102 F104 V118 R123	V93-Y97 HydrophobicContact CG1-CD2 4.04Å; V93-Y97 HydrophobicContact CG1-CG 4.44Å; G94-Y97 PolarHBondContact O-N 2.86Å; E95-Y97 PolarHBondContact O-N 2.98Å; Y97-K99 PolarHBondContact O-N 3.15Å; Y97-N102 PolarHBondContact O-ND2 2.83Å; Y97-F104 VanDerWaalsContact O-CZ 3.29Å; Y97-F104 WeakPolarHBondContact O-CZ 3.03Å; Y97-V118 HydrophobicContact CD1-CB 4.22Å; Y97-V118 HydrophobicContact CD1-CG1 3.96Å; Y97-V118 HydrophobicContact CD1-CG2 4.03Å; Y97-V118 HydrophobicContact CD2-CG2 4.46Å; Y97-V118 HydrophobicContact CE1-CG2 4.36Å; Y97-V118 HydrophobicContact CG-CG1 4.45Å; Y97-V118 HydrophobicContact CG-CG2 4.08Å; Y97-R123 PolarHBondContact OH-NE 3.02Å
98	C	85.7	Confident	90	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.081	23%	0.228	C	C	.	.			trans	-80.6	63	-179.5	-61.3	0	0	0	0	110.4	I47 E95	I47-C98 HydrophobicContact CD1-CB 4.45Å; E95-C98 WeakPolarHBondContact O-CB 3.44Å; E95-C98 PolarHBondContact O-N 3.08Å
99	K	85.1	Confident	90	Very high	86 Å²	86	46.1 Å²	46.1	37%	0.374	24%	0.235	S	C	.	.			trans	-124.6	144.8	-177.9	-62.8	-60.6	-173.1	-173.7	0	110.9	D52 Y97 G101 N102	D52-K99 VanDerWaalsContact OD1-CD 3.3Å; D52-K99 WeakPolarHBondContact OD1-CD 3.43Å; D52-K99 IonicContact OD1-NZ 2.67Å; D52-K99 PolarHBondContact OD1-NZ 2.73Å; Y97-K99 PolarHBondContact O-N 3.15Å; K99-G101 PolarHBondContact O-N 2.87Å; K99-N102 WeakPolarHBondContact O-CB 3.27Å; K99-N102 PolarHBondContact O-N 3.32Å
100	K	87	Confident	90	Very high	150 Å²	150	47.3 Å²	47.3	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	135.5	177.1	179.9	175.2	175.1	176.6	0	109.2	I48 C50 N102	I48-K100 WeakPolarHBondContact O-CD 3.03Å; I48-K100 WeakPolarHBondContact O-CE 3.3Å; C50-K100 PolarHBondContact SG-N 3.2Å; K100-N102 VanDerWaalsContact C-N 3.31Å; K100-N102 PolarHBondContact O-N 2.8Å
101	G	89.8	Confident	90.2	Very high	42 Å²	42	50.3 Å²	50.3	43%	0.433	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-21.1	-176.7	0	0	0	0	0	114.3	I47 K99 Y103	I47-G101 PolarHBondContact O-N 2.9Å; K99-G101 PolarHBondContact O-N 2.87Å; G101-Y103 PolarHBondContact O-N 2.8Å
102	N	91.2	Very high	90.4	Very high	26 Å²	26	45 Å²	45	14%	0.139	25%	0.253	C	S	.	.			trans	-63	134.6	177.2	-80	-11.1	0	0	0	111	R46 I47 Y97 K99 K100 F104 V118 N119	R46-N102 WeakPolarHBondContact CA-O 3.26Å; I47-N102 PolarHBondContact N-O 3.35Å; Y97-N102 PolarHBondContact O-ND2 2.83Å; K99-N102 WeakPolarHBondContact O-CB 3.27Å; K99-N102 PolarHBondContact O-N 3.32Å; K100-N102 VanDerWaalsContact C-N 3.31Å; K100-N102 PolarHBondContact O-N 2.8Å; N102-F104 HydrophobicContact CB-CE2 4.12Å; N102-V118 HydrophobicContact CB-CG1 4.29Å; N102-N119 WeakPolarHBondContact CA-OD1 3.39Å; N102-N119 PolarHBondContact OD1-ND2 2.9Å
103	Y	91.9	Very high	90.7	Very high	38 Å²	38	46.6 Å²	46.6	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.7	179.6	-178	-116.9	0	0	0	110	F45 R46 G101 T105 V118 N119 H158	F45-Y103 VanDerWaalsContact O-CD2 3.25Å; F45-Y103 WeakPolarHBondContact O-CD2 3.33Å; R46-Y103 HydrophobicContact CB-CD2 4.05Å; G101-Y103 PolarHBondContact O-N 2.8Å; Y103-T105 WeakPolarHBondContact CE1-OG1 3.43Å; Y103-V118 WeakPolarHBondContact O-CA 3.46Å; Y103-N119 PolarHBondContact N-OD1 3.08Å; Y103-N119 PolarHBondContact O-N 3.41Å; Y103-H158 HydrophobicContact CD2-CB 4.47Å; Y103-H158 HydrophobicContact CE2-CB 3.54Å
104	F	92.4	Very high	91.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137	177.2	-63.4	-95.9	0	0	0	109.5	G44 F45 I47 V93 Y97 N102 F106 S117 V118	G44-F104 CarbonylContact C-O 3.52Å; G44-F104 WeakPolarHBondContact CA-O 3.33Å; F45-F104 HydrophobicContact CD2-CB 4.35Å; F45-F104 AromaticContact CD2-CD2 3.98Å; F45-F104 HydrophobicContact CD2-CD2 3.98Å; F45-F104 HydrophobicContact CE1-CB 4.09Å; F45-F104 HydrophobicContact CE2-CB 3.85Å; F45-F104 AromaticContact CE2-CD2 3.28Å; F45-F104 HydrophobicContact CE2-CD2 3.28Å; F45-F104 HydrophobicContact CE2-CE2 4.01Å; F45-F104 AromaticContact CE2-CG 3.71Å; F45-F104 HydrophobicContact CE2-CG 3.71Å; F45-F104 HydrophobicContact CZ-CB 3.69Å; F45-F104 AromaticContact CZ-CD2 3.84Å; F45-F104 HydrophobicContact CZ-CD2 3.84Å; F45-F104 AromaticContact CZ-CG 3.75Å; F45-F104 HydrophobicContact CZ-CG 3.75Å; F45-F104 PolarHBondContact N-O 2.91Å; F45-F104 VanDerWaalsContact N-O 3.08Å; F45-F104 PolarHBondContact O-N 3.05Å; I47-F104 HydrophobicContact CD1-CE2 3.63Å; I47-F104 HydrophobicContact CD1-CZ 4.31Å; I47-F104 HydrophobicContact CG1-CE2 3.98Å; V93-F104 HydrophobicContact CG1-CD1 4.41Å; V93-F104 HydrophobicContact CG1-CE1 3.41Å; V93-F104 VanDerWaalsContact CG1-CE1 3.41Å; V93-F104 HydrophobicContact CG1-CZ 3.82Å; V93-F104 HydrophobicContact CG2-CE1 4.4Å; Y97-F104 VanDerWaalsContact O-CZ 3.29Å; Y97-F104 WeakPolarHBondContact O-CZ 3.03Å; N102-F104 HydrophobicContact CB-CE2 4.12Å; F104-F106 HydrophobicContact CB-CD2 4.29Å; F104-F106 HydrophobicContact CB-CE2 3.49Å; F104-F106 VanDerWaalsContact CB-CE2 3.49Å; F104-F106 HydrophobicContact CB-CZ 4.08Å; F104-F106 HydrophobicContact CD1-CE2 4.47Å; F104-F106 HydrophobicContact CD1-CZ 4.23Å; F104-F106 HydrophobicContact CG-CE2 4.32Å; F104-S117 WeakPolarHBondContact CA-O 3.42Å; F104-V118 HydrophobicContact CD1-CG2 3.71Å; F104-V118 HydrophobicContact CE1-CG1 4.33Å; F104-V118 HydrophobicContact CE1-CG2 3.61Å
105	T	93.5	Very high	91.6	Very high	10 Å²	10	48.2 Å²	48.2	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.1	168.2	-57.6	0	0	0	0	108.9	K42 F43 Y103 F116 S117 L162	K42-T105 HydrophobicContact CB-CG2 4.18Å; K42-T105 HydrophobicContact CD-CG2 4.48Å; K42-T105 HydrophobicContact CG-CG2 4.46Å; F43-T105 CarbonylContact O-C 3.54Å; F43-T105 WeakPolarHBondContact O-CA 3.09Å; Y103-T105 WeakPolarHBondContact CE1-OG1 3.43Å; T105-F116 CarbonylContact O-C 3.59Å; T105-F116 VanDerWaalsContact O-CA 3.23Å; T105-F116 WeakPolarHBondContact O-CA 3.33Å; T105-S117 PolarHBondContact N-O 2.75Å; T105-S117 PolarHBondContact O-N 3.5Å; T105-L162 HydrophobicContact CG2-CD1 3.83Å
106	F	93.7	Very high	92.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.6	178.7	-58	-95.5	0	0	0	111	K42 F43 F45 I60 F104 M114 M115 F116 F126	K42-F106 WeakPolarHBondContact CA-O 3.34Å; F43-F106 HydrophobicContact CD2-CB 4.05Å; F43-F106 HydrophobicContact CD2-CD2 4.39Å; F43-F106 HydrophobicContact CE1-CB 4Å; F43-F106 HydrophobicContact CE2-CB 3.37Å; F43-F106 AromaticContact CE2-CD2 3.94Å; F43-F106 HydrophobicContact CE2-CD2 3.94Å; F43-F106 AromaticContact CE2-CG 3.92Å; F43-F106 HydrophobicContact CE2-CG 3.92Å; F43-F106 HydrophobicContact CZ-CB 3.38Å; F43-F106 HydrophobicContact CZ-CG 4.27Å; F43-F106 PolarHBondContact N-O 2.93Å; F43-F106 PolarHBondContact O-N 3.05Å; F45-F106 HydrophobicContact CD1-CE2 4.34Å; F45-F106 HydrophobicContact CE1-CD2 4.21Å; F45-F106 AromaticContact CE1-CE2 3.43Å; F45-F106 HydrophobicContact CE1-CE2 3.43Å; F45-F106 VanDerWaalsContact CE1-CE2 3.43Å; F45-F106 HydrophobicContact CE1-CZ 4.28Å; F45-F106 AromaticContact CZ-CE2 3.83Å; F45-F106 HydrophobicContact CZ-CE2 3.83Å; F45-F106 HydrophobicContact CZ-CZ 4.35Å; I60-F106 HydrophobicContact CB-CZ 4.12Å; I60-F106 HydrophobicContact CG1-CZ 4.07Å; I60-F106 HydrophobicContact CG2-CE1 4.08Å; I60-F106 HydrophobicContact CG2-CE2 4.01Å; I60-F106 HydrophobicContact CG2-CZ 3.77Å; F104-F106 HydrophobicContact CB-CD2 4.29Å; F104-F106 HydrophobicContact CB-CE2 3.49Å; F104-F106 VanDerWaalsContact CB-CE2 3.49Å; F104-F106 HydrophobicContact CB-CZ 4.08Å; F104-F106 HydrophobicContact CD1-CE2 4.47Å; F104-F106 HydrophobicContact CD1-CZ 4.23Å; F104-F106 HydrophobicContact CG-CE2 4.32Å; F106-M114 HydrophobicContact CB-CE 3.64Å; F106-M114 HydrophobicContact CB-CG 4.42Å; F106-M114 HydrophobicContact CD1-CE 3.19Å; F106-M114 HydrophobicContact CD1-CG 4.17Å; F106-M114 HydrophobicContact CD1-SD 4.34Å; F106-M114 HydrophobicContact CD2-CE 4.27Å; F106-M114 HydrophobicContact CE1-CE 3.85Å; F106-M114 HydrophobicContact CG-CE 3.46Å; F106-M114 VanDerWaalsContact CG-CE 3.46Å; F106-M115 WeakPolarHBondContact CA-O 3.47Å; F106-F116 HydrophobicContact CD1-CB 3.28Å; F106-F116 HydrophobicContact CD1-CG 4.37Å; F106-F116 HydrophobicContact CE1-CB 3.39Å; F106-F116 HydrophobicContact CE1-CD2 4.2Å; F106-F116 HydrophobicContact CE1-CG 4.05Å; F106-F116 HydrophobicContact CG-CB 4.13Å; F106-F116 HydrophobicContact CZ-CB 4.3Å; F106-F126 HydrophobicContact CD1-CD1 4.41Å; F106-F126 AromaticContact CE1-CD1 3.87Å; F106-F126 HydrophobicContact CE1-CD1 3.87Å; F106-F126 HydrophobicContact CE1-CE1 4.16Å; F106-F126 HydrophobicContact CE1-CG 4.17Å
107	S	93.8	Very high	92.5	Very high	25 Å²	25	37 Å²	37	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146	169.9	55.2	0	0	0	0	109.6	M114 M115	S107-M114 CarbonylContact O-C 3.56Å; S107-M114 WeakPolarHBondContact O-CA 3.22Å; S107-M115 PolarHBondContact N-O 2.84Å; S107-M115 VanDerWaalsContact N-O 3.08Å; S107-M115 PolarHBondContact O-N 3.41Å
108	V	95	Very high	92.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	172.8	-176.2	0	0	0	0	109	N40 I62 E113 M114 I130 L132 L135	N40-V108 PolarHBondContact N-O 3.34Å; I62-V108 HydrophobicContact CD1-CG2 4.15Å; I62-V108 HydrophobicContact CG1-CG2 4.03Å; V108-E113 WeakPolarHBondContact CA-O 3.18Å; V108-M114 HydrophobicContact CG2-CB 4.19Å; V108-M114 HydrophobicContact CG2-CG 4.22Å; V108-I130 HydrophobicContact CG1-CD1 4.21Å; V108-I130 HydrophobicContact CG1-CG2 4.39Å; V108-I130 HydrophobicContact CG2-CD1 4.23Å; V108-L132 HydrophobicContact CG1-CD2 3.69Å; V108-L135 HydrophobicContact CB-CD1 3.89Å; V108-L135 HydrophobicContact CG1-CD1 4Å; V108-L135 HydrophobicContact CG2-CD1 4.21Å
109	N	94.5	Very high	93.3	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	22%	0.222	C	C	.	.			trans	-84.7	179.2	-179.2	69.9	9.8	0	0	0	112.3	N40 S111 G112 E113	N40-N109 WeakPolarHBondContact OD1-CA 3.49Å; N109-S111 PolarHBondContact ND2-OG 3.01Å; N109-S111 PolarHBondContact O-N 2.78Å; N109-S111 PolarHBondContact OD1-N 3.16Å; N109-S111 PolarHBondContact OD1-OG 3.45Å; N109-G112 PolarHBondContact O-N 2.9Å; N109-G112 PolarHBondContact OD1-N 2.88Å; N109-E113 PolarHBondContact N-O 2.72Å; N109-E113 PolarHBondContact ND2-OE2 2.93Å; N109-E113 WeakPolarHBondContact OD1-CA 3.4Å; N109-E113 WeakPolarHBondContact OD1-CB 3.25Å; N109-E113 PolarHBondContact OD1-N 2.71Å; N109-E113 PolarHBondContact OD1-O 2.83Å
110	A	93.5	Very high	93.7	Very high	75 Å²	75	37.7 Å²	37.7	62%	0.62	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.1	-178.6	0	0	0	0	0	114.3	G112 L132	A110-G112 VanDerWaalsContact C-N 3.31Å; A110-L132 VanDerWaalsContact O-CD1 3.31Å; A110-L132 WeakPolarHBondContact O-CD1 3.36Å
111	S	95.6	Very high	94.2	Very high	77 Å²	77	36.3 Å²	36.3	54%	0.538	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.1	174.4	37.7	0	0	0	0	113.2	N109 E113	N109-S111 PolarHBondContact ND2-OG 3.01Å; N109-S111 PolarHBondContact O-N 2.78Å; N109-S111 PolarHBondContact OD1-N 3.16Å; N109-S111 PolarHBondContact OD1-OG 3.45Å; S111-E113 PolarHBondContact OG-OE2 3.43Å
112	G	95.4	Very high	94.5	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	24%	0.241	C	C	.	.	S	Bend	trans	78.4	24.2	-177	0	0	0	0	0	113.1	N109 A110 T128 G129 I130	N109-G112 PolarHBondContact O-N 2.9Å; N109-G112 PolarHBondContact OD1-N 2.88Å; A110-G112 VanDerWaalsContact C-N 3.31Å; G112-T128 CarbonylContact O-C 3.52Å; G112-G129 PolarHBondContact O-N 2.8Å; G112-I130 WeakPolarHBondContact O-CB 3.29Å; G112-I130 WeakPolarHBondContact O-CG1 3.36Å; G112-I130 PolarHBondContact O-N 3.16Å
113	E	96.2	Very high	94.7	Very high	61 Å²	61	43.9 Å²	43.9	29%	0.285	26%	0.255	S	S	.	.			trans	-105.3	129.8	177.9	-52.1	165.5	135	0	0	109.7	V108 N109 S111 M125 L127	V108-E113 WeakPolarHBondContact CA-O 3.18Å; N109-E113 PolarHBondContact N-O 2.72Å; N109-E113 PolarHBondContact ND2-OE2 2.93Å; N109-E113 WeakPolarHBondContact OD1-CA 3.4Å; N109-E113 WeakPolarHBondContact OD1-CB 3.25Å; N109-E113 PolarHBondContact OD1-N 2.71Å; N109-E113 PolarHBondContact OD1-O 2.83Å; S111-E113 PolarHBondContact OG-OE2 3.43Å; E113-M125 HydrophobicContact CB-CG 4.27Å; E113-M125 HydrophobicContact CB-SD 4.05Å; E113-M125 HydrophobicContact CG-SD 3.87Å; E113-L127 WeakPolarHBondContact CA-O 3.5Å
114	M	95.3	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.1	172.7	-175.2	168.7	175.7	0	0	108.9	F43 I60 I62 F106 S107 V108 F126 L127 I130 L137	F43-M114 HydrophobicContact CE2-CE 3.99Å; F43-M114 HydrophobicContact CZ-CE 3.7Å; I60-M114 HydrophobicContact CG2-CE 3.78Å; I62-M114 HydrophobicContact CD1-CE 4.3Å; I62-M114 HydrophobicContact CD1-SD 4.16Å; I62-M114 HydrophobicContact CG1-CE 4.37Å; I62-M114 HydrophobicContact CG1-SD 3.64Å; F106-M114 HydrophobicContact CB-CE 3.64Å; F106-M114 HydrophobicContact CB-CG 4.42Å; F106-M114 HydrophobicContact CD1-CE 3.19Å; F106-M114 HydrophobicContact CD1-CG 4.17Å; F106-M114 HydrophobicContact CD1-SD 4.34Å; F106-M114 HydrophobicContact CD2-CE 4.27Å; F106-M114 HydrophobicContact CE1-CE 3.85Å; F106-M114 HydrophobicContact CG-CE 3.46Å; F106-M114 VanDerWaalsContact CG-CE 3.46Å; S107-M114 CarbonylContact O-C 3.56Å; S107-M114 WeakPolarHBondContact O-CA 3.22Å; V108-M114 HydrophobicContact CG2-CB 4.19Å; V108-M114 HydrophobicContact CG2-CG 4.22Å; M114-F126 HydrophobicContact CE-CD1 4.48Å; M114-F126 WeakPolarHBondContact O-CA 3.15Å; M114-F126 WeakPolarHBondContact O-CB 3.46Å; M114-F126 PolarHBondContact O-N 2.76Å; M114-F126 HydrophobicContact SD-CD1 4.31Å; M114-L127 HydrophobicContact CB-CB 3.97Å; M114-L127 PolarHBondContact N-O 3.36Å; M114-L127 PolarHBondContact O-N 2.71Å; M114-L127 HydrophobicContact SD-CD1 3.76Å; M114-L127 HydrophobicContact SD-CG 4.45Å; M114-I130 HydrophobicContact CB-CD1 3.69Å; M114-L137 HydrophobicContact CE-CD1 3.97Å
115	M	95.3	Very high	94.9	Very high	67 Å²	67	48.1 Å²	48.1	33%	0.33	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	148.9	174.2	-55.7	-53.4	-71.3	0	0	109.9	F106 S107 G124 M125	F106-M115 WeakPolarHBondContact CA-O 3.47Å; S107-M115 PolarHBondContact N-O 2.84Å; S107-M115 VanDerWaalsContact N-O 3.08Å; S107-M115 PolarHBondContact O-N 3.41Å; M115-G124 WeakPolarHBondContact CA-O 3.05Å; M115-M125 HydrophobicContact CE-CB 4.46Å; M115-M125 HydrophobicContact SD-CB 3.99Å; M115-M125 HydrophobicContact SD-CG 4.47Å
116	F	94.9	Very high	95	Very high	26 Å²	26	48.3 Å²	48.3	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.6	175.6	85.1	-64.6	0	0	0	114.6	T105 F106 V118 R123 G124 F126	T105-F116 CarbonylContact O-C 3.59Å; T105-F116 VanDerWaalsContact O-CA 3.23Å; T105-F116 WeakPolarHBondContact O-CA 3.33Å; F106-F116 HydrophobicContact CD1-CB 3.28Å; F106-F116 HydrophobicContact CD1-CG 4.37Å; F106-F116 HydrophobicContact CE1-CB 3.39Å; F106-F116 HydrophobicContact CE1-CD2 4.2Å; F106-F116 HydrophobicContact CE1-CG 4.05Å; F106-F116 HydrophobicContact CG-CB 4.13Å; F106-F116 HydrophobicContact CZ-CB 4.3Å; F116-V118 HydrophobicContact CD2-CG2 4.23Å; F116-V118 HydrophobicContact CE2-CG2 4.12Å; F116-R123 HydrophobicContact CD1-CB 3.85Å; F116-R123 HydrophobicContact CD2-CB 4.06Å; F116-R123 HydrophobicContact CD2-CG 4.34Å; F116-R123 HydrophobicContact CE1-CB 3.36Å; F116-R123 HydrophobicContact CE1-CG 4.49Å; F116-R123 HydrophobicContact CE2-CB 3.58Å; F116-R123 HydrophobicContact CE2-CG 3.84Å; F116-R123 HydrophobicContact CG-CB 4.19Å; F116-R123 HydrophobicContact CZ-CB 3.22Å; F116-R123 HydrophobicContact CZ-CG 3.94Å; F116-R123 PolarHBondContact O-N 2.87Å; F116-G124 WeakPolarHBondContact CD1-O 3.23Å; F116-G124 PolarHBondContact N-O 2.86Å; F116-F126 HydrophobicContact CB-CB 4.25Å; F116-F126 HydrophobicContact CD1-CB 3.58Å; F116-F126 AromaticContact CD1-CD2 3.9Å; F116-F126 HydrophobicContact CD1-CD2 3.9Å; F116-F126 HydrophobicContact CD1-CG 4.08Å; F116-F126 HydrophobicContact CD2-CD2 4.41Å; F116-F126 HydrophobicContact CE1-CB 4.12Å; F116-F126 AromaticContact CE1-CD2 3.79Å; F116-F126 HydrophobicContact CE1-CD2 3.79Å; F116-F126 HydrophobicContact CE1-CG 4.39Å; F116-F126 HydrophobicContact CE2-CD2 4.32Å; F116-F126 HydrophobicContact CG-CB 4.09Å; F116-F126 HydrophobicContact CG-CD2 4.2Å; F116-F126 HydrophobicContact CG-CG 4.31Å; F116-F126 AromaticContact CZ-CD2 4Å; F116-F126 HydrophobicContact CZ-CD2 4Å
117	S	95.2	Very high	95.1	Very high	19 Å²	19	49.1 Å²	49.1	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.3	170.3	69.6	0	0	0	0	110.5	F104 T105 H121	F104-S117 WeakPolarHBondContact CA-O 3.42Å; T105-S117 PolarHBondContact N-O 2.75Å; T105-S117 PolarHBondContact O-N 3.5Å; S117-H121 VanDerWaalsContact CA-O 3.24Å; S117-H121 WeakPolarHBondContact CA-O 3.46Å; S117-H121 VanDerWaalsContact CB-O 3.24Å; S117-H121 WeakPolarHBondContact CB-O 3.41Å
118	V	95	Very high	95.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.7	173.5	-174.6	0	0	0	0	107.5	Y97 N102 Y103 F104 F116 G120 H121 R123	Y97-V118 HydrophobicContact CD1-CB 4.22Å; Y97-V118 HydrophobicContact CD1-CG1 3.96Å; Y97-V118 HydrophobicContact CD1-CG2 4.03Å; Y97-V118 HydrophobicContact CD2-CG2 4.46Å; Y97-V118 HydrophobicContact CE1-CG2 4.36Å; Y97-V118 HydrophobicContact CG-CG1 4.45Å; Y97-V118 HydrophobicContact CG-CG2 4.08Å; N102-V118 HydrophobicContact CB-CG1 4.29Å; Y103-V118 WeakPolarHBondContact O-CA 3.46Å; F104-V118 HydrophobicContact CD1-CG2 3.71Å; F104-V118 HydrophobicContact CE1-CG1 4.33Å; F104-V118 HydrophobicContact CE1-CG2 3.61Å; F116-V118 HydrophobicContact CD2-CG2 4.23Å; F116-V118 HydrophobicContact CE2-CG2 4.12Å; V118-G120 PolarHBondContact O-N 3.01Å; V118-H121 PolarHBondContact N-O 2.88Å; V118-H121 WeakPolarHBondContact O-CB 3.2Å; V118-H121 PolarHBondContact O-N 2.88Å; V118-R123 HydrophobicContact CG2-CG 4.1Å
119	N	95.1	Very high	95.1	Very high	79 Å²	79	54.4 Å²	54.4	42%	0.422	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	40.2	-175.8	-56.3	-24.7	0	0	0	112.5	N102 Y103 H121	N102-N119 WeakPolarHBondContact CA-OD1 3.39Å; N102-N119 PolarHBondContact OD1-ND2 2.9Å; Y103-N119 PolarHBondContact N-OD1 3.08Å; Y103-N119 PolarHBondContact O-N 3.41Å; N119-H121 PolarHBondContact O-CD2 2.86Å; N119-H121 PolarHBondContact O-N 3Å
120	G	94.2	Very high	95.2	Very high	56 Å²	56	53.2 Å²	53.2	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-14.1	-178.6	0	0	0	0	0	114.9	V118 P122	V118-G120 PolarHBondContact O-N 3.01Å; G120-P122 VanDerWaalsContact O-CD 3.3Å; G120-P122 WeakPolarHBondContact O-CD 3.42Å
121	H	96.4	Very high	95.1	Very high	121 Å²	121	53.3 Å²	53.3	56%	0.56	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.3	176.8	-63.9	-76.3	0	0	0	111	S117 V118 N119 R123	S117-H121 VanDerWaalsContact CA-O 3.24Å; S117-H121 WeakPolarHBondContact CA-O 3.46Å; S117-H121 VanDerWaalsContact CB-O 3.24Å; S117-H121 WeakPolarHBondContact CB-O 3.41Å; V118-H121 PolarHBondContact N-O 2.88Å; V118-H121 WeakPolarHBondContact O-CB 3.2Å; V118-H121 PolarHBondContact O-N 2.88Å; N119-H121 PolarHBondContact O-CD2 2.86Å; N119-H121 PolarHBondContact O-N 3Å; H121-R123 PolarHBondContact O-N 3.39Å
122	P	96.1	Very high	94.9	Very high	112 Å²	112	51.2 Å²	51.2	73%	0.727	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	137.8	177.1	-22.6	34.7	0	0	0	111.2	G120	G120-P122 VanDerWaalsContact O-CD 3.3Å; G120-P122 WeakPolarHBondContact O-CD 3.42Å
123	R	95.4	Very high	94.5	Very high	115 Å²	115	56.5 Å²	56.5	43%	0.434	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-3	176.7	-60.3	-56.8	179.9	179.9	-3.1	112.9	Y97 F116 V118 H121	Y97-R123 PolarHBondContact OH-NE 3.02Å; F116-R123 HydrophobicContact CD1-CB 3.85Å; F116-R123 HydrophobicContact CD2-CB 4.06Å; F116-R123 HydrophobicContact CD2-CG 4.34Å; F116-R123 HydrophobicContact CE1-CB 3.36Å; F116-R123 HydrophobicContact CE1-CG 4.49Å; F116-R123 HydrophobicContact CE2-CB 3.58Å; F116-R123 HydrophobicContact CE2-CG 3.84Å; F116-R123 HydrophobicContact CG-CB 4.19Å; F116-R123 HydrophobicContact CZ-CB 3.22Å; F116-R123 HydrophobicContact CZ-CG 3.94Å; F116-R123 PolarHBondContact O-N 2.87Å; V118-R123 HydrophobicContact CG2-CG 4.1Å; H121-R123 PolarHBondContact O-N 3.39Å
124	G	94	Very high	93.7	Very high	28 Å²	28	55.5 Å²	55.5	29%	0.289	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.1	-152.6	176.8	0	0	0	0	0	112.9	M115 F116	M115-G124 WeakPolarHBondContact CA-O 3.05Å; F116-G124 WeakPolarHBondContact CD1-O 3.23Å; F116-G124 PolarHBondContact N-O 2.86Å
125	M	95.6	Very high	93.2	Very high	100 Å²	100	55.7 Å²	55.7	49%	0.493	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.6	-179.2	-176.6	173.9	61.4	0	0	110.8	E113 M115 L127	E113-M125 HydrophobicContact CB-CG 4.27Å; E113-M125 HydrophobicContact CB-SD 4.05Å; E113-M125 HydrophobicContact CG-SD 3.87Å; M115-M125 HydrophobicContact CE-CB 4.46Å; M115-M125 HydrophobicContact SD-CB 3.99Å; M115-M125 HydrophobicContact SD-CG 4.47Å; M125-L127 WeakPolarHBondContact CG-O 3.38Å
126	F	95.2	Very high	92.6	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-46.6	179.3	-168.2	-118.3	0	0	0	112.3	I60 K91 V93 F106 M114 F116	I60-F126 HydrophobicContact CB-CE1 3.95Å; I60-F126 HydrophobicContact CB-CZ 4.4Å; I60-F126 WeakPolarHBondContact O-CE1 2.87Å; K91-F126 HydrophobicContact CB-CE1 4.1Å; K91-F126 HydrophobicContact CB-CE2 4.4Å; K91-F126 HydrophobicContact CB-CZ 3.89Å; K91-F126 HydrophobicContact CD-CE2 4.43Å; K91-F126 HydrophobicContact CG-CE2 4.44Å; K91-F126 HydrophobicContact CG-CZ 4.35Å; K91-F126 WeakPolarHBondContact O-CZ 3.4Å; V93-F126 HydrophobicContact CG2-CE2 4.11Å; V93-F126 HydrophobicContact CG2-CZ 3.8Å; F106-F126 HydrophobicContact CD1-CD1 4.41Å; F106-F126 AromaticContact CE1-CD1 3.87Å; F106-F126 HydrophobicContact CE1-CD1 3.87Å; F106-F126 HydrophobicContact CE1-CE1 4.16Å; F106-F126 HydrophobicContact CE1-CG 4.17Å; M114-F126 HydrophobicContact CE-CD1 4.48Å; M114-F126 WeakPolarHBondContact O-CA 3.15Å; M114-F126 WeakPolarHBondContact O-CB 3.46Å; M114-F126 PolarHBondContact O-N 2.76Å; M114-F126 HydrophobicContact SD-CD1 4.31Å; F116-F126 HydrophobicContact CB-CB 4.25Å; F116-F126 HydrophobicContact CD1-CB 3.58Å; F116-F126 AromaticContact CD1-CD2 3.9Å; F116-F126 HydrophobicContact CD1-CD2 3.9Å; F116-F126 HydrophobicContact CD1-CG 4.08Å; F116-F126 HydrophobicContact CD2-CD2 4.41Å; F116-F126 HydrophobicContact CE1-CB 4.12Å; F116-F126 AromaticContact CE1-CD2 3.79Å; F116-F126 HydrophobicContact CE1-CD2 3.79Å; F116-F126 HydrophobicContact CE1-CG 4.39Å; F116-F126 HydrophobicContact CE2-CD2 4.32Å; F116-F126 HydrophobicContact CG-CB 4.09Å; F116-F126 HydrophobicContact CG-CD2 4.2Å; F116-F126 HydrophobicContact CG-CG 4.31Å; F116-F126 AromaticContact CZ-CD2 4Å; F116-F126 HydrophobicContact CZ-CD2 4Å
127	L	95.3	Very high	92	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.4	177.2	-62.9	169.9	0	0	0	109.3	W89 K91 E113 M114 M125 I130	W89-L127 HydrophobicContact CB-CD1 3.97Å; W89-L127 HydrophobicContact CB-CD2 4.49Å; W89-L127 WeakPolarHBondContact O-CD1 3.12Å; K91-L127 HydrophobicContact CB-CD2 3.71Å; E113-L127 WeakPolarHBondContact CA-O 3.5Å; M114-L127 HydrophobicContact CB-CB 3.97Å; M114-L127 PolarHBondContact N-O 3.36Å; M114-L127 PolarHBondContact O-N 2.71Å; M114-L127 HydrophobicContact SD-CD1 3.76Å; M114-L127 HydrophobicContact SD-CG 4.45Å; M125-L127 WeakPolarHBondContact CG-O 3.38Å; L127-I130 HydrophobicContact CB-CD1 3.96Å; L127-I130 HydrophobicContact CB-CG1 4.41Å
128	T	95.5	Very high	91.3	Very high	83 Å²	83	50.9 Å²	50.9	51%	0.509	31%	0.308	S	S	.	.			trans	-139.5	166.4	176.8	-171.6	0	0	0	0	110.2	G112 I130	G112-T128 CarbonylContact O-C 3.52Å; T128-I130 VanDerWaalsContact C-N 3.3Å; T128-I130 PolarHBondContact O-N 2.77Å
129	G	94.5	Very high	90.5	Very high	53 Å²	53	50.9 Å²	50.9	55%	0.546	31%	0.308	S	S	.	.	S	Bend	trans	70	23.4	179	0	0	0	0	0	114.1	W89 G112 N131	W89-G129 PolarHBondContact NE1-O 2.57Å; G112-G129 PolarHBondContact O-N 2.8Å; G129-N131 PolarHBondContact O-N 3.34Å
130	I	94.6	Very high	89.4	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.041	29%	0.288	C	S	.	.			trans	-73.3	126.4	-178.6	-60.1	171	0	0	0	109.7	I62 W89 V108 G112 M114 L127 T128 L132 L135	I62-I130 HydrophobicContact CB-CD1 4.5Å; I62-I130 HydrophobicContact CB-CG2 4.42Å; I62-I130 HydrophobicContact CG1-CD1 4.25Å; I62-I130 HydrophobicContact CG2-CG2 4.05Å; W89-I130 HydrophobicContact CB-CG1 4.22Å; W89-I130 HydrophobicContact CD2-CB 4.37Å; W89-I130 HydrophobicContact CD2-CG1 4.14Å; W89-I130 HydrophobicContact CD2-CG2 4.36Å; W89-I130 HydrophobicContact CE3-CG2 4.06Å; W89-I130 HydrophobicContact CG-CG1 3.94Å; W89-I130 HydrophobicContact CZ3-CG2 4.33Å; V108-I130 HydrophobicContact CG1-CD1 4.21Å; V108-I130 HydrophobicContact CG1-CG2 4.39Å; V108-I130 HydrophobicContact CG2-CD1 4.23Å; G112-I130 WeakPolarHBondContact O-CB 3.29Å; G112-I130 WeakPolarHBondContact O-CG1 3.36Å; G112-I130 PolarHBondContact O-N 3.16Å; M114-I130 HydrophobicContact CB-CD1 3.69Å; L127-I130 HydrophobicContact CB-CD1 3.96Å; L127-I130 HydrophobicContact CB-CG1 4.41Å; T128-I130 VanDerWaalsContact C-N 3.3Å; T128-I130 PolarHBondContact O-N 2.77Å; I130-L132 PolarHBondContact O-N 3.25Å; I130-L135 HydrophobicContact CG2-CD2 3.91Å
131	N	92.7	Very high	88.1	Confident	77 Å²	77	44.8 Å²	44.8	41%	0.412	26%	0.262	S	S	.	.			trans	-70.8	124.3	168.9	-175.1	-36.3	0	0	0	110.1	N64 W89 G129 N133 L135	N64-N131 PolarHBondContact ND2-O 2.77Å; N64-N131 VanDerWaalsContact ND2-O 3.1Å; N64-N131 WeakPolarHBondContact OD1-CB 3.43Å; W89-N131 HydrophobicContact CH2-CB 3.54Å; W89-N131 HydrophobicContact CZ2-CB 3.93Å; W89-N131 HydrophobicContact CZ3-CB 4.47Å; G129-N131 PolarHBondContact O-N 3.34Å; N131-N133 PolarHBondContact O-N 2.76Å; N131-N133 WeakPolarHBondContact OD1-CB 3.38Å; N131-N133 PolarHBondContact OD1-N 3.2Å; N131-N133 VanDerWaalsContact OD1-N 3.07Å; N131-N133 PolarHBondContact OD1-ND2 3.2Å; N131-L135 VanDerWaalsContact O-CD2 3.23Å; N131-L135 WeakPolarHBondContact O-CD2 3.48Å
132	L	90.6	Very high	86.2	Confident	34 Å²	34	40.5 Å²	40.5	18%	0.178	24%	0.242	C	C	.	.			trans	-80.1	10	-170.5	-62.8	-177.2	0	0	0	115.4	R39 V108 A110 I130 L135	R39-L132 PolarHBondContact NH2-O 2.73Å; R39-L132 VanDerWaalsContact NH2-O 3.09Å; V108-L132 HydrophobicContact CG1-CD2 3.69Å; A110-L132 VanDerWaalsContact O-CD1 3.31Å; A110-L132 WeakPolarHBondContact O-CD1 3.36Å; I130-L132 PolarHBondContact O-N 3.25Å; L132-L135 HydrophobicContact CD2-CD1 4.41Å
133	N	87.7	Confident	84.3	Confident	113 Å²	113	35.4 Å²	35.4	60%	0.604	21%	0.209	S	C	*	.	S	Bend	trans	-96.7	98.8	-178.3	-68	-23	0	0	0	111.5	N64 N131	N64-N133 VanDerWaalsContact CG-O 3.27Å; N64-N133 PolarHBondContact ND2-O 3.48Å; N131-N133 PolarHBondContact O-N 2.76Å; N131-N133 WeakPolarHBondContact OD1-CB 3.38Å; N131-N133 PolarHBondContact OD1-N 3.2Å; N131-N133 VanDerWaalsContact OD1-N 3.07Å; N131-N133 PolarHBondContact OD1-ND2 3.2Å
134	G	78.9	Confident	82.1	Confident	41 Å²	41	37 Å²	37	42%	0.423	22%	0.219	S	C	.	.	S	Bend	trans	73	86.6	177.8	0	0	0	0	0	112.1	N64	N64-G134 VanDerWaalsContact CA-O 3.3Å; N64-G134 WeakPolarHBondContact CA-O 3.35Å; N64-G134 PolarHBondContact ND2-O 2.79Å
135	L	84.7	Confident	80.1	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-95	102.7	-174.6	-53.2	-179.4	0	0	0	110.6	P36 I37 I62 V108 I130 N131 L132	P36-L135 CarbonylContact C-O 3.56Å; P36-L135 WeakPolarHBondContact CA-O 3.27Å; I37-L135 HydrophobicContact CB-CB 4.3Å; I37-L135 WeakPolarHBondContact CB-O 3.45Å; I37-L135 PolarHBondContact N-O 3.15Å; I62-L135 HydrophobicContact CG2-CB 3.97Å; I62-L135 HydrophobicContact CG2-CD2 3.85Å; I62-L135 HydrophobicContact CG2-CG 4.49Å; V108-L135 HydrophobicContact CB-CD1 3.89Å; V108-L135 HydrophobicContact CG1-CD1 4Å; V108-L135 HydrophobicContact CG2-CD1 4.21Å; I130-L135 HydrophobicContact CG2-CD2 3.91Å; N131-L135 VanDerWaalsContact O-CD2 3.23Å; N131-L135 WeakPolarHBondContact O-CD2 3.48Å; L132-L135 HydrophobicContact CD2-CD1 4.41Å
136	T	83.7	Confident	78.2	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.9	173.5	-58.9	0	0	0	0	109.1	F32 I62 T63 P67	F32-T136 HydrophobicContact CB-CG2 4.01Å; F32-T136 HydrophobicContact CD1-CG2 4.16Å; I62-T136 CarbonylContact C-O 3.58Å; I62-T136 WeakPolarHBondContact CA-O 3.35Å; T63-T136 HydrophobicContact CG2-CG2 4.24Å; T63-T136 PolarHBondContact N-O 2.84Å; T63-T136 PolarHBondContact O-N 3.42Å; P67-T136 HydrophobicContact CG-CG2 4.03Å
137	L	82.3	Confident	76.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.1	172.9	-169.7	71.2	0	0	0	109.3	F32 S33 I37 F43 I60 G61 I62 M114 N139 W157	F32-L137 CarbonylContact C-O 3.18Å; F32-L137 WeakPolarHBondContact CA-O 2.79Å; S33-L137 PolarHBondContact N-O 3.37Å; S33-L137 PolarHBondContact OG-N 3.1Å; I37-L137 HydrophobicContact CD1-CB 3.61Å; F43-L137 HydrophobicContact CD2-CD1 4.12Å; F43-L137 HydrophobicContact CD2-CD2 3.83Å; F43-L137 HydrophobicContact CE2-CD1 3.22Å; F43-L137 HydrophobicContact CE2-CD2 3.73Å; F43-L137 HydrophobicContact CE2-CG 4.03Å; F43-L137 HydrophobicContact CZ-CD1 3.72Å; I60-L137 HydrophobicContact CG2-CD1 3.85Å; G61-L137 VanDerWaalsContact O-CD1 3.3Å; G61-L137 WeakPolarHBondContact O-CD1 3.49Å; I62-L137 HydrophobicContact CD1-CD1 3.85Å; M114-L137 HydrophobicContact CE-CD1 3.97Å; L137-N139 WeakPolarHBondContact CD2-OD1 3.19Å; L137-N139 VanDerWaalsContact CG-OD1 3.28Å; L137-N139 WeakPolarHBondContact CG-OD1 2.8Å; L137-W157 HydrophobicContact CB-CH2 4.33Å; L137-W157 HydrophobicContact CD2-CH2 3.17Å; L137-W157 HydrophobicContact CD2-CZ2 3.69Å; L137-W157 HydrophobicContact CD2-CZ3 4.1Å; L137-W157 HydrophobicContact CG-CH2 4.34Å
138	V	79.9	Confident	74.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.4	169.6	-172.6	0	0	0	0	108.6	L30 S31 F32 I60 G61 T63 L82	L30-V138 HydrophobicContact CD2-CG1 3.54Å; S31-V138 WeakPolarHBondContact O-CA 3.43Å; F32-V138 HydrophobicContact CD1-CB 4.44Å; F32-V138 HydrophobicContact CD1-CG1 4.42Å; F32-V138 HydrophobicContact CD1-CG2 3.74Å; F32-V138 HydrophobicContact CE1-CB 4.42Å; F32-V138 HydrophobicContact CE1-CG1 4.06Å; F32-V138 HydrophobicContact CE1-CG2 3.7Å; I60-V138 CarbonylContact C-O 3.57Å; G61-V138 PolarHBondContact N-O 3.06Å; G61-V138 PolarHBondContact O-N 3.48Å; T63-V138 HydrophobicContact CG2-CG2 3.3Å; L82-V138 HydrophobicContact CD2-CB 4.34Å; L82-V138 HydrophobicContact CD2-CG1 3.86Å; L82-V138 HydrophobicContact CD2-CG2 3.86Å
139	N	78.5	Confident	72.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.1	169.2	-54.7	-16.3	0	0	0	108.2	L30 S31 I60 L137 L155	L30-N139 CarbonylContact C-O 3.56Å; L30-N139 WeakPolarHBondContact CA-O 2.97Å; S31-N139 PolarHBondContact N-O 2.7Å; S31-N139 PolarHBondContact O-N 3.3Å; S31-N139 PolarHBondContact OG-O 3.28Å; I60-N139 HydrophobicContact CD1-CB 3.89Å; I60-N139 VanDerWaalsContact CD1-OD1 3.27Å; I60-N139 WeakPolarHBondContact CD1-OD1 3.4Å; L137-N139 WeakPolarHBondContact CD2-OD1 3.19Å; L137-N139 VanDerWaalsContact CG-OD1 3.28Å; L137-N139 WeakPolarHBondContact CG-OD1 2.8Å; N139-L155 HydrophobicContact CB-CD1 4.18Å
140	T	71.6	Confident	71	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.8	166.7	-173.3	0	0	0	0	109.5	L30 R59 A78 F142	L30-T140 HydrophobicContact CD2-CG2 4.31Å; R59-T140 HydrophobicContact CB-CG2 3.65Å; R59-T140 PolarHBondContact N-O 3.03Å; R59-T140 PolarHBondContact O-N 2.83Å; R59-T140 VanDerWaalsContact O-O 3.07Å; A78-T140 HydrophobicContact CB-CG2 3.32Å; T140-F142 HydrophobicContact CG2-CD2 3.95Å; T140-F142 HydrophobicContact CG2-CE2 3.55Å
141	D	67.1	Low	69.3	Low	5 Å²	5	47.9 Å²	47.9	3%	0.027	28%	0.275	C	S	.	.			trans	-96	149	169.4	-171.4	24	0	0	0	110.9	R22 A29 Q143 I153	R22-D141 IonicContact CZ-OD2 3.24Å; R22-D141 VanDerWaalsContact CZ-OD2 3.24Å; R22-D141 IonicContact NE-OD2 3.46Å; R22-D141 PolarHBondContact NE-OD2 3.1Å; R22-D141 IonicContact NH2-OD2 2.77Å; R22-D141 PolarHBondContact NH2-OD2 2.78Å; A29-D141 HydrophobicContact CB-CB 4.49Å; D141-Q143 VanDerWaalsContact OD1-CG 3.29Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.46Å; D141-Q143 PolarHBondContact OD1-N 2.88Å; D141-Q143 WeakPolarHBondContact OD2-CB 3.32Å; D141-Q143 VanDerWaalsContact OD2-CD 3.29Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.3Å; D141-Q143 PolarHBondContact OD2-OE1 2.88Å; D141-I153 HydrophobicContact CB-CG2 3.7Å; D141-I153 WeakPolarHBondContact OD2-CG2 3.46Å
142	F	56.2	Low	68	Low	31 Å²	31	46 Å²	46	14%	0.136	27%	0.266	C	S	.	.			trans	-136	80.6	162.1	-70.4	-119.2	0	0	0	106.1	G56 A57 R59 Y77 C79 T140	G56-F142 CarbonylContact C-O 3.27Å; G56-F142 WeakPolarHBondContact CA-O 3.48Å; A57-F142 PolarHBondContact N-O 3.48Å; A57-F142 PolarHBondContact O-N 3.03Å; R59-F142 HydrophobicContact CG-CD2 4.37Å; R59-F142 HydrophobicContact CG-CE2 4.35Å; R59-F142 VanDerWaalsContact CZ-CD2 3.45Å; R59-F142 VanDerWaalsContact NE-CE2 3.34Å; Y77-F142 VanDerWaalsContact CB-CZ 3.44Å; Y77-F142 AromaticContact CD1-CD1 3.64Å; Y77-F142 HydrophobicContact CD1-CD1 3.64Å; Y77-F142 AromaticContact CD1-CE1 3.02Å; Y77-F142 HydrophobicContact CD1-CE1 3.02Å; Y77-F142 AromaticContact CD1-CE2 4Å; Y77-F142 HydrophobicContact CD1-CE2 4Å; Y77-F142 HydrophobicContact CD1-CG 4.42Å; Y77-F142 AromaticContact CD1-CZ 3.31Å; Y77-F142 HydrophobicContact CD1-CZ 3.31Å; Y77-F142 HydrophobicContact CD2-CE1 4.41Å; Y77-F142 AromaticContact CE1-CD1 3.81Å; Y77-F142 HydrophobicContact CE1-CD1 3.81Å; Y77-F142 AromaticContact CE1-CE1 3.56Å; Y77-F142 HydrophobicContact CE1-CE1 3.56Å; Y77-F142 HydrophobicContact CE1-CZ 4.28Å; Y77-F142 AromaticContact CG-CE1 3.52Å; Y77-F142 HydrophobicContact CG-CE1 3.52Å; Y77-F142 AromaticContact CG-CZ 3.59Å; Y77-F142 HydrophobicContact CG-CZ 3.59Å; C79-F142 WeakPolarHBondContact O-CZ 3.4Å; T140-F142 HydrophobicContact CG2-CD2 3.95Å; T140-F142 HydrophobicContact CG2-CE2 3.55Å
143	Q	55.3	Low	67	Low	6 Å²	6	44.6 Å²	44.6	3%	0.028	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.3	170.2	-86.6	174.5	7.2	0	0	108.4	F26 W54 S55 D141	F26-Q143 WeakPolarHBondContact CB-O 3.28Å; W54-Q143 HydrophobicContact CB-CG 4.32Å; W54-Q143 HydrophobicContact CE3-CB 3.8Å; W54-Q143 HydrophobicContact CZ3-CB 4.5Å; W54-Q143 WeakPolarHBondContact CZ3-O 3.37Å; S55-Q143 CarbonylContact O-C 3.5Å; D141-Q143 VanDerWaalsContact OD1-CG 3.29Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.46Å; D141-Q143 PolarHBondContact OD1-N 2.88Å; D141-Q143 WeakPolarHBondContact OD2-CB 3.32Å; D141-Q143 VanDerWaalsContact OD2-CD 3.29Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.3Å; D141-Q143 PolarHBondContact OD2-OE1 2.88Å
144	K	50.9	Low	66.5	Low	148 Å²	148	39.4 Å²	39.4	64%	0.643	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.1	167.1	-173.9	-180	174.6	-174.9	0	109.2	S55	S55-K144 PolarHBondContact N-O 3.43Å; S55-K144 VanDerWaalsContact N-O 3.08Å; S55-K144 CarbonylContact O-C 3.55Å; S55-K144 PolarHBondContact O-N 2.91Å; S55-K144 PolarHBondContact OG-O 2.86Å
145	A	50.6	Low	66.5	Low	14 Å²	14	37.9 Å²	37.9	12%	0.116	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.2	-179.6	0	0	0	0	0	108.9	W54 G148 L149	W54-A145 HydrophobicContact CE3-CB 4.2Å; W54-A145 VanDerWaalsContact CE3-N 3.27Å; W54-A145 HydrophobicContact CH2-CB 2.9Å; W54-A145 HydrophobicContact CZ2-CB 3.63Å; W54-A145 HydrophobicContact CZ3-CB 3.35Å; A145-G148 VanDerWaalsContact CB-C 3.44Å; A145-G148 VanDerWaalsContact CB-CA 3.48Å; A145-L149 VanDerWaalsContact CB-N 3.33Å
146	K	56.4	Low	66.3	Low	164 Å²	164	40 Å²	40	71%	0.713	22%	0.224	S	C	*	.	S	Bend	trans	-67.3	-25.4	151.8	-68.8	-177	179.7	177.1	0	110.9
147	T	56.7	Low	66.1	Low	106 Å²	106	40 Å²	40	65%	0.65	22%	0.222	S	C	*	.	S	Bend	trans	-118.6	7.1	-166.6	54.3	0	0	0	0	116.5
148	G	55.9	Low	65.4	Low	67 Å²	67	42.4 Å²	42.4	69%	0.691	23%	0.234	S	C	*	.	S	Bend	trans	106.6	-25.7	174.1	0	0	0	0	0	119.3	A145	A145-G148 VanDerWaalsContact CB-C 3.44Å; A145-G148 VanDerWaalsContact CB-CA 3.48Å
149	L	57.7	Low	63.7	Low	147 Å²	147	45.5 Å²	45.5	77%	0.77	26%	0.259	S	S	*	.	S	Bend	trans	-126.3	107.4	-165.2	-77.6	174.9	0	0	0	116.6	W54 A145	W54-L149 WeakPolarHBondContact CH2-O 3.24Å; W54-L149 WeakPolarHBondContact CZ2-O 3.29Å; A145-L149 VanDerWaalsContact CB-N 3.33Å
150	A	57.8	Low	62.1	Low	24 Å²	24	54.8 Å²	54.8	20%	0.198	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-53.8	120	-171	0	0	0	0	0	114.9	R22 S25 F26 W54	R22-A150 VanDerWaalsContact NH1-CB 3.3Å; S25-A150 WeakPolarHBondContact O-CB 3.4Å; F26-A150 HydrophobicContact CB-CB 4.46Å; W54-A150 HydrophobicContact CH2-CB 4.27Å; W54-A150 VanDerWaalsContact CH2-N 3.26Å; W54-A150 HydrophobicContact CZ3-CB 4.09Å
151	P	60.3	Low	60.2	Low	11 Å²	11	58.8 Å²	58.8	7%	0.071	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-80.6	169.6	-175.5	45.9	-36.4	0	0	0	106.4	R22 D51 W54 I153	R22-P151 PolarHBondContact NH1-O 2.88Å; R22-P151 PolarHBondContact NH2-O 3.06Å; D51-P151 HydrophobicContact CB-CB 3.54Å; D51-P151 HydrophobicContact CB-CG 3.75Å; W54-P151 VanDerWaalsContact CD1-CG 3.5Å; W54-P151 HydrophobicContact CD2-CB 4.28Å; W54-P151 HydrophobicContact CD2-CG 3.34Å; W54-P151 HydrophobicContact CE3-CG 3.94Å; W54-P151 HydrophobicContact CG-CG 3.56Å; W54-P151 HydrophobicContact CH2-CG 4.41Å; W54-P151 HydrophobicContact CZ2-CB 4.1Å; W54-P151 HydrophobicContact CZ2-CG 3.92Å; W54-P151 HydrophobicContact CZ3-CG 4.37Å; W54-P151 VanDerWaalsContact NE1-CG 3.26Å; P151-I153 PolarHBondContact O-N 3.08Å
152	P	65.9	Low	58.6	Low	36 Å²	36	62.6 Å²	62.6	23%	0.234	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.9	169	27.7	-34	0	0	0	111.6	R21 R22 E49	R21-P152 HydrophobicContact CG-CB 4.14Å; R22-P152 VanDerWaalsContact O-CA 3.29Å; R22-P152 WeakPolarHBondContact O-CA 3.45Å; E49-P152 VanDerWaalsContact CD-CG 3.49Å; E49-P152 HydrophobicContact CG-CG 4.28Å; E49-P152 WeakPolarHBondContact OE1-CG 3.17Å
153	I	69.6	Low	57.2	Low	5 Å²	5	69.7 Å²	69.7	3%	0.026	38%	0.378	C	S	.	.			trans	-104.8	134.6	151.8	-162.8	-180	0	0	0	107.5	R21 R22 I47 E49 C50 L58 D141 P151 L155	R21-I153 WeakPolarHBondContact CA-O 3.21Å; R22-I153 HydrophobicContact CB-CG2 4.03Å; R22-I153 PolarHBondContact N-O 2.97Å; I47-I153 HydrophobicContact CG2-CG1 4.47Å; E49-I153 WeakPolarHBondContact O-CA 3.24Å; E49-I153 WeakPolarHBondContact O-CG1 3.4Å; C50-I153 HydrophobicContact CB-CG1 4.38Å; L58-I153 HydrophobicContact CD1-CD1 4.42Å; D141-I153 HydrophobicContact CB-CG2 3.7Å; D141-I153 WeakPolarHBondContact OD2-CG2 3.46Å; P151-I153 PolarHBondContact O-N 3.08Å; I153-L155 HydrophobicContact CD1-CD2 4.42Å
154	C	76.9	Confident	55.9	Low	5 Å²	5	80.2 Å²	80.2	3%	0.034	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.5	-179.9	-163.5	0	0	0	0	110	I19 A20 R21 I48 E49	I19-C154 WeakPolarHBondContact CG2-SG 3.32Å; A20-C154 WeakPolarHBondContact O-CA 3.32Å; R21-C154 HydrophobicContact CB-CB 4.3Å; R21-C154 HydrophobicContact CG-CB 3.97Å; I48-C154 HydrophobicContact CD1-CB 4.19Å; I48-C154 WeakPolarHBondContact CD1-SG 3.34Å; I48-C154 HydrophobicContact CG1-CB 3.65Å; I48-C154 WeakPolarHBondContact CG1-O 3.35Å; I48-C154 VanDerWaalsContact CG1-SG 3.55Å; I48-C154 PolarHBondContact N-O 2.82Å; E49-C154 HydrophobicContact CB-CB 3.42Å; E49-C154 VanDerWaalsContact CB-CB 3.42Å; E49-C154 PolarHBondContact N-O 3.38Å; E49-C154 PolarHBondContact O-N 3.17Å
155	L	78.2	Confident	54.7	Low	8 Å²	8	79 Å²	79	4%	0.042	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.9	177.9	-57.3	-179.8	0	0	0	109.1	F3 I19 A20 F45 R46 I47 L58 N139 I153	F3-L155 WeakPolarHBondContact CE2-O 3.3Å; F3-L155 HydrophobicContact CZ-CB 3.9Å; I19-L155 CarbonylContact C-O 3.54Å; I19-L155 WeakPolarHBondContact CA-O 3.34Å; A20-L155 PolarHBondContact N-O 2.71Å; A20-L155 PolarHBondContact O-N 2.81Å; F45-L155 HydrophobicContact CD2-CD2 3.86Å; F45-L155 HydrophobicContact CE2-CD2 4.13Å; R46-L155 WeakPolarHBondContact O-CA 3.48Å; I47-L155 HydrophobicContact CG1-CD2 3.87Å; L58-L155 HydrophobicContact CD1-CD1 4.01Å; L58-L155 HydrophobicContact CD2-CD2 4.18Å; N139-L155 HydrophobicContact CB-CD1 4.18Å; I153-L155 HydrophobicContact CD1-CD2 4.42Å
156	E	81.6	Confident	53.7	Low	49 Å²	49	86.2 Å²	86.2	23%	0.229	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.9	173.1	-175.4	178.9	83.5	0	0	109.4	I18 I19 F45 R46 I48 H158	I18-E156 HydrophobicContact CG2-CG 3.95Å; I19-E156 HydrophobicContact CG1-CB 4.17Å; I19-E156 HydrophobicContact CG1-CG 3.9Å; F45-E156 CarbonylContact C-O 3.53Å; F45-E156 WeakPolarHBondContact CA-O 3.49Å; F45-E156 WeakPolarHBondContact CB-O 3.42Å; R46-E156 PolarHBondContact N-O 3.43Å; R46-E156 PolarHBondContact O-N 2.82Å; I48-E156 HydrophobicContact CD1-CB 4.03Å; I48-E156 HydrophobicContact CG1-CB 4.39Å; I48-E156 HydrophobicContact CG2-CB 3.63Å; E156-H158 PolarHBondContact O-N 3.43Å
157	W	78.4	Confident	52.5	Low	7 Å²	7	84.1 Å²	84.1	3%	0.027	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124	167.7	-86.4	116.4	0	0	0	110.1	M1 S2 F3 I18 F43 L137	M1-W157 HydrophobicContact CE-CD2 4.25Å; M1-W157 HydrophobicContact CE-CE3 3.64Å; M1-W157 HydrophobicContact CE-CH2 3.21Å; M1-W157 HydrophobicContact CE-CZ2 3.94Å; M1-W157 HydrophobicContact CE-CZ3 3.12Å; M1-W157 HydrophobicContact SD-CH2 4.48Å; S2-W157 VanDerWaalsContact C-NE1 3.32Å; S2-W157 PolarHBondContact O-NE1 3.05Å; F3-W157 AromaticContact CD1-CD1 3.72Å; F3-W157 AromaticContact CD1-NE1 3.05Å; F3-W157 AromaticContact CD2-CD1 3.13Å; F3-W157 HydrophobicContact CD2-CG 4.27Å; F3-W157 AromaticContact CD2-NE1 3.46Å; F3-W157 AromaticContact CE1-CD1 3.75Å; F3-W157 AromaticContact CE1-CE2 3.82Å; F3-W157 HydrophobicContact CE1-CZ2 4.37Å; F3-W157 AromaticContact CE1-NE1 3.14Å; F3-W157 AromaticContact CE2-CD1 3.14Å; F3-W157 AromaticContact CE2-CG 3.96Å; F3-W157 HydrophobicContact CE2-CG 3.96Å; F3-W157 AromaticContact CE2-NE1 3.52Å; F3-W157 AromaticContact CG-CD1 3.4Å; F3-W157 VanDerWaalsContact CG-CD1 3.4Å; F3-W157 AromaticContact CG-NE1 3.19Å; F3-W157 AromaticContact CZ-CD1 3.46Å; F3-W157 VanDerWaalsContact CZ-CD1 3.46Å; F3-W157 HydrophobicContact CZ-CD2 4.45Å; F3-W157 HydrophobicContact CZ-CG 4.14Å; F3-W157 AromaticContact CZ-NE1 3.36Å; I18-W157 HydrophobicContact CG2-CB 4.39Å; I18-W157 WeakPolarHBondContact CG2-O 3.48Å; I18-W157 WeakPolarHBondContact O-CB 3.21Å; I18-W157 PolarHBondContact O-N 3.18Å; F43-W157 HydrophobicContact CB-CZ3 4.13Å; F43-W157 HydrophobicContact CD2-CH2 4.28Å; F43-W157 HydrophobicContact CD2-CZ3 4.26Å; L137-W157 HydrophobicContact CB-CH2 4.33Å; L137-W157 HydrophobicContact CD2-CH2 3.17Å; L137-W157 HydrophobicContact CD2-CZ2 3.69Å; L137-W157 HydrophobicContact CD2-CZ3 4.1Å; L137-W157 HydrophobicContact CG-CH2 4.34Å
158	H	66.8	Low	51.3	Low	53 Å²	53	86 Å²	86	25%	0.245	47%	0.466	C	S	.	.			trans	-106.6	92.3	169.6	-139.4	134.3	0	0	0	109	G44 Y103 E156 R160	G44-H158 PolarHBondContact O-N 2.67Å; G44-H158 VanDerWaalsContact O-N 3.17Å; Y103-H158 HydrophobicContact CD2-CB 4.47Å; Y103-H158 HydrophobicContact CE2-CB 3.54Å; E156-H158 PolarHBondContact O-N 3.43Å; H158-R160 VanDerWaalsContact C-N 3.27Å; H158-R160 PolarHBondContact O-N 2.95Å; H158-R160 VanDerWaalsContact O-N 3.1Å
159	A	45.4	Very low	50.1	Low	65 Å²	65	92.7 Å²	92.7	54%	0.537	48%	0.476	S	S	.	.			trans	-84.7	72.9	171.9	0	0	0	0	0	109.8	M1	M1-A159 HydrophobicContact CB-CB 4.18Å
160	R	43.7	Very low	48.6	Very low	198 Å²	198	89.7 Å²	89.7	75%	0.747	47%	0.472	S	S	*	.			trans	-131.9	121.8	168.7	-82.7	-174.2	159.2	173.7	-5.3	110.7	H158 L162	H158-R160 VanDerWaalsContact C-N 3.27Å; H158-R160 PolarHBondContact O-N 2.95Å; H158-R160 VanDerWaalsContact O-N 3.1Å; R160-L162 PolarHBondContact O-N 3.18Å; R160-L162 VanDerWaalsContact O-N 3.16Å
161	A	32	Very low	47.5	Very low	86 Å²	86	94.7 Å²	94.7	71%	0.711	50%	0.503	S	S	*	.			trans	-46	116.1	173.6	0	0	0	0	0	110.6	F163	A161-F163 HydrophobicContact CB-CB 4.35Å; A161-F163 PolarHBondContact O-N 3.03Å
162	L	33.1	Very low	46.5	Very low	85 Å²	85	102.5 Å²	102.5	45%	0.445	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	43.8	164.7	-85.9	163.8	0	0	0	111.4	K42 T105 R160	K42-L162 HydrophobicContact CD-CB 4.48Å; K42-L162 HydrophobicContact CD-CD1 4.24Å; T105-L162 HydrophobicContact CG2-CD1 3.83Å; R160-L162 PolarHBondContact O-N 3.18Å; R160-L162 VanDerWaalsContact O-N 3.16Å
163	F	28	Very low	45.5	Very low	180 Å²	180	105.9 Å²	105.9	79%	0.789	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	12.5	-177.6	-105.9	-78.3	0	0	0	114	A161	A161-F163 HydrophobicContact CB-CB 4.35Å; A161-F163 PolarHBondContact O-N 3.03Å
164	R	27	Very low	44.2	Very low	226 Å²	226	111.2 Å²	111.2	85%	0.853	61%	0.614	S	S	*	*	S	Bend	trans	-129.1	8	175.3	-83.2	-170.2	175.9	-163.5	-1.2	116.8
165	T	27.3	Very low	42.4	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	65%	0.646	S	S	*	*	S	Bend	trans	-125.7	15.2	-178.2	-25	0	0	0	0	114.9
166	L	28.6	Very low	40.3	Very low	165 Å²	165	123.5 Å²	123.5	86%	0.864	68%	0.682	S	S	*	*	S	Bend	trans	-121	7.8	171.2	-78.7	168.5	0	0	0	114.1
167	V	31.9	Very low	37.7	Very low	119 Å²	119	128.1 Å²	128.1	72%	0.721	71%	0.71	S	S	*	*	S	Bend	trans	-113.2	-8.1	177.3	-176.6	0	0	0	0	113.2
168	N	30.2	Very low	35	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	76%	0.756	S	S	*	*	S	Bend	trans	-109.7	27.3	178.7	-71.6	-14.5	0	0	0	114.1
169	K	30.9	Very low	32.8	Very low	207 Å²	207	142.1 Å²	142.1	90%	0.9	79%	0.792	S	S	*	*			trans	-129	58.3	163.4	-75.8	-166.6	176.4	-171.2	0	109.3
170	A	26.4	Very low	31.8	Very low	84 Å²	84	148.1 Å²	148.1	69%	0.694	81%	0.812	S	S	*	*			trans	-95.9	127.8	153.9	0	0	0	0	0	106.3
171	P	34.8	Very low	30.8	Very low	129 Å²	129	143.9 Å²	143.9	84%	0.838	82%	0.817	S	S	*	*			trans	-70.5	139	177.9	29.6	-30.9	0	0	0	109.5
172	A	39.7	Very low	30.7	Very low	175 Å²	175	149.2 Å²	149.2	100%	1.446	83%	0.827	S	S	*	*			trans	-93.6	0	144.5	0	0	0	0	0	107.1

Retrieved 172 of 172 residues in 351.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).