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Cilia- and flagella-associated protein 20

Cilium- and flagellum-specific protein that plays a role in axonemal structure organization and motility. Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules (DMTs) in cilia axoneme, which is required for motile cilia beating. Involved in the regulation of the size and morphology of cilia. Required for axonemal microtubules polyglutamylation.

AlphaFold DB , UniProt , Accession Q6GL74, Species XENTR (Xenopus tropicalis, Western clawed frog), Gene cfap20, Length 193 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83.6	Confident	88.4	Confident	113 Å²	113	79 Å²	79	56%	0.557	40%	0.4	S	S	*	.				0	-49.8	0	-173.2	166.7	-164.1	0	0	110.2	I24 T68 L69	M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.31Å; M1-I24 HydrophobicContact SD-CB 4.08Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG2 4.14Å; M1-T68 PolarHBondContact N-O 3.02Å; M1-L69 PolarHBondContact N-O 2.86Å
2	F	89.6	Confident	88.9	Confident	29 Å²	29	76.2 Å²	76.2	13%	0.127	39%	0.393	C	S	.	.			trans	-100.8	4.9	-177.8	-65.7	-82.8	0	0	0	114.2	N4 T5 Q7 L11 I13 I24 L69 I71	F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.11Å; F2-T5 HydrophobicContact CD1-CG2 4.37Å; F2-T5 WeakPolarHBondContact O-CB 3.21Å; F2-T5 PolarHBondContact O-N 3.41Å; F2-Q7 PolarHBondContact O-NE2 3Å; F2-L11 HydrophobicContact CB-CD2 4.27Å; F2-L11 HydrophobicContact CD1-CD1 4.02Å; F2-L11 HydrophobicContact CD1-CD2 4.08Å; F2-L11 HydrophobicContact CD1-CG 4.5Å; F2-L11 HydrophobicContact CE1-CD1 4.14Å; F2-L11 HydrophobicContact CG-CD2 4.13Å; F2-I13 HydrophobicContact CE2-CG2 4.35Å; F2-I24 HydrophobicContact CE2-CD1 4.1Å; F2-I24 HydrophobicContact CZ-CD1 4.05Å; F2-L69 HydrophobicContact CD2-CD2 3.74Å; F2-L69 HydrophobicContact CE2-CD2 3.65Å; F2-L69 PolarHBondContact N-O 3.48Å; F2-I71 HydrophobicContact CB-CG1 3.98Å; F2-I71 HydrophobicContact CD2-CD1 4.02Å; F2-I71 HydrophobicContact CD2-CG1 4.09Å; F2-I71 HydrophobicContact CG-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.24Å
3	K	84.5	Confident	89.4	Confident	144 Å²	144	71 Å²	71	63%	0.626	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.7	-175.1	-168.5	177.5	-178	179	0	113.7
4	N	85.1	Confident	89.9	Confident	162 Å²	162	66.1 Å²	66.1	87%	0.866	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	7	-180	-59.2	-11.3	0	0	0	112.7	F2	F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.11Å
5	T	87	Confident	90.3	Very high	68 Å²	68	66 Å²	66	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-87.4	149	175.8	-49.4	0	0	0	0	108.8	F2 Q7	F2-T5 HydrophobicContact CD1-CG2 4.37Å; F2-T5 WeakPolarHBondContact O-CB 3.21Å; F2-T5 PolarHBondContact O-N 3.41Å; T5-Q7 WeakPolarHBondContact O-CG 3.11Å; T5-Q7 PolarHBondContact O-N 3.04Å
6	F	86.7	Confident	90.5	Very high	175 Å²	175	61.9 Å²	61.9	77%	0.768	31%	0.314	S	S	*	.			trans	-63.8	126.2	169.2	-176.3	-109.3	0	0	0	109.8
7	Q	89	Confident	90.5	Very high	37 Å²	37	62.1 Å²	62.1	17%	0.173	32%	0.315	C	S	.	.			trans	-124.1	80.9	-177.1	-58.7	-175.4	29.9	0	0	109.3	F2 T5 L11 G70 I71 L73	F2-Q7 PolarHBondContact O-NE2 3Å; T5-Q7 WeakPolarHBondContact O-CG 3.11Å; T5-Q7 PolarHBondContact O-N 3.04Å; Q7-L11 HydrophobicContact CG-CD2 4.28Å; Q7-G70 PolarHBondContact NE2-O 2.55Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; Q7-L73 HydrophobicContact CB-CD2 4.43Å; Q7-L73 HydrophobicContact CB-CG 4.25Å
8	S	87.9	Confident	90.4	Very high	63 Å²	63	60.8 Å²	60.8	44%	0.441	32%	0.32	S	S	.	.	S	Bend	trans	-138.5	146.8	176.5	-173	0	0	0	0	109.7	F10	S8-F10 PolarHBondContact O-N 2.6Å
9	G	91.9	Very high	90.4	Very high	11 Å²	11	63.7 Å²	63.7	11%	0.113	35%	0.346	C	S	.	.	S	Bend	trans	66.4	-92.7	-175.4	0	0	0	0	0	111.9	S168 D169 Y172	G9-S168 WeakPolarHBondContact O-CA 3.43Å; G9-D169 WeakPolarHBondContact CA-OD2 3.2Å; G9-D169 PolarHBondContact N-OD2 3.22Å; G9-D169 PolarHBondContact O-N 3.14Å; G9-Y172 WeakPolarHBondContact CA-OH 3.41Å
10	F	92.8	Very high	90.6	Very high	49 Å²	49	68.1 Å²	68.1	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.1	-173.5	-54.4	-82.2	0	0	0	112.6	S8 Y166 F167 Y172 L177 P178 F181	S8-F10 PolarHBondContact O-N 2.6Å; F10-Y166 AromaticContact CD1-CD2 3.91Å; F10-Y166 HydrophobicContact CD1-CD2 3.91Å; F10-Y166 AromaticContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CE1-CE2 4.11Å; F10-F167 CarbonylContact C-O 3.59Å; F10-F167 WeakPolarHBondContact CA-O 3.33Å; F10-Y172 HydrophobicContact CD1-CD2 4.43Å; F10-Y172 HydrophobicContact CD1-CE2 4.34Å; F10-Y172 AromaticContact CE1-CD2 3.36Å; F10-Y172 HydrophobicContact CE1-CD2 3.36Å; F10-Y172 AromaticContact CE1-CE2 3.55Å; F10-Y172 HydrophobicContact CE1-CE2 3.55Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD2 4.41Å; F10-Y172 HydrophobicContact CE2-CE1 4.26Å; F10-Y172 HydrophobicContact CE2-CE2 4.06Å; F10-Y172 AromaticContact CE2-CZ 3.97Å; F10-Y172 AromaticContact CZ-CD1 3.84Å; F10-Y172 HydrophobicContact CZ-CD1 3.84Å; F10-Y172 AromaticContact CZ-CD2 3.35Å; F10-Y172 HydrophobicContact CZ-CD2 3.35Å; F10-Y172 AromaticContact CZ-CE1 3.88Å; F10-Y172 HydrophobicContact CZ-CE1 3.88Å; F10-Y172 AromaticContact CZ-CE2 3.39Å; F10-Y172 HydrophobicContact CZ-CE2 3.39Å; F10-Y172 AromaticContact CZ-CG 3.56Å; F10-Y172 HydrophobicContact CZ-CG 3.56Å; F10-Y172 AromaticContact CZ-CZ 3.65Å; F10-L177 HydrophobicContact CE1-CD2 3.59Å; F10-L177 HydrophobicContact CZ-CD2 3.78Å; F10-P178 HydrophobicContact CD2-CG 4.39Å; F10-P178 HydrophobicContact CE2-CG 3.99Å; F10-F181 HydrophobicContact CB-CE1 3.85Å; F10-F181 HydrophobicContact CB-CE2 3.99Å; F10-F181 HydrophobicContact CB-CZ 3.47Å; F10-F181 VanDerWaalsContact CB-CZ 3.47Å; F10-F181 HydrophobicContact CD1-CD1 4.32Å; F10-F181 HydrophobicContact CD1-CE1 4.28Å; F10-F181 HydrophobicContact CD1-CZ 4.46Å; F10-F181 HydrophobicContact CD2-CE2 4.32Å; F10-F181 HydrophobicContact CG-CD2 4.45Å; F10-F181 HydrophobicContact CG-CE1 4.22Å; F10-F181 HydrophobicContact CG-CE2 4.09Å; F10-F181 AromaticContact CG-CZ 3.96Å; F10-F181 HydrophobicContact CG-CZ 3.96Å
11	L	94.3	Very high	90.8	Very high	18 Å²	18	66 Å²	66	9%	0.094	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	104.4	172.2	-175.9	67.4	0	0	0	110.6	F2 Q7 I71 L73 Y166 F167	F2-L11 HydrophobicContact CB-CD2 4.27Å; F2-L11 HydrophobicContact CD1-CD1 4.02Å; F2-L11 HydrophobicContact CD1-CD2 4.08Å; F2-L11 HydrophobicContact CD1-CG 4.5Å; F2-L11 HydrophobicContact CE1-CD1 4.14Å; F2-L11 HydrophobicContact CG-CD2 4.13Å; Q7-L11 HydrophobicContact CG-CD2 4.28Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.69Å; L11-I71 HydrophobicContact CD2-CG1 3.64Å; L11-I71 HydrophobicContact CD2-CG2 4.01Å; L11-L73 HydrophobicContact CB-CD1 3.69Å; L11-Y166 CarbonylContact O-C 3.57Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.43Å; L11-F167 HydrophobicContact CB-CB 4.48Å; L11-F167 PolarHBondContact N-O 3.11Å; L11-F167 PolarHBondContact O-N 3.42Å
12	S	94.3	Very high	91.3	Very high	45 Å²	45	61.8 Å²	61.8	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	177.4	-172.5	0	0	0	0	111.4
13	I	95.8	Very high	91.6	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.046	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-17.7	174.2	59.7	163.9	0	0	0	112.3	F2 I24 W25 L69 I71 V154 V165 F167	F2-I13 HydrophobicContact CE2-CG2 4.35Å; I13-I24 HydrophobicContact CB-CD1 4.42Å; I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.9Å; I13-W25 HydrophobicContact CD1-CZ2 3.64Å; I13-W25 HydrophobicContact CG1-CZ2 3.9Å; I13-W25 PolarHBondContact O-NE1 2.91Å; I13-L69 HydrophobicContact CG2-CD2 4.49Å; I13-I71 HydrophobicContact CG2-CD1 3.67Å; I13-V154 HydrophobicContact CD1-CB 4.33Å; I13-V154 HydrophobicContact CD1-CG2 4.17Å; I13-V165 HydrophobicContact CD1-CB 4.3Å; I13-V165 HydrophobicContact CD1-CG1 3.54Å; I13-V165 HydrophobicContact CG1-CB 3.92Å; I13-V165 HydrophobicContact CG1-CG1 3.61Å; I13-V165 WeakPolarHBondContact CG1-O 3.41Å; I13-V165 PolarHBondContact N-O 3.4Å; I13-F167 HydrophobicContact CD1-CE2 3.81Å; I13-F167 HydrophobicContact CG1-CE2 4.32Å; I13-F167 HydrophobicContact CG2-CD2 4.17Å; I13-F167 HydrophobicContact CG2-CE2 4.03Å
14	L	96.7	Very high	92.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	128.6	173.9	-175.4	155.8	0	0	0	109.3	L22 W25 L47 I59 I162 R164 V165	L14-L22 HydrophobicContact CD1-CD2 3.99Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.29Å; L14-W25 HydrophobicContact CD1-CZ2 3.99Å; L14-L47 HydrophobicContact CD1-CD2 4.1Å; L14-I59 HydrophobicContact CD1-CD1 3.74Å; L14-I162 HydrophobicContact CD1-CG2 4.48Å; L14-I162 HydrophobicContact CD2-CB 4.46Å; L14-I162 HydrophobicContact CD2-CG2 3.71Å; L14-R164 CarbonylContact O-C 3.54Å; L14-R164 VanDerWaalsContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CA 3.28Å; L14-V165 HydrophobicContact CB-CB 4.01Å; L14-V165 HydrophobicContact CB-CG2 4.15Å; L14-V165 PolarHBondContact N-O 3.19Å; L14-V165 VanDerWaalsContact N-O 3.12Å; L14-V165 PolarHBondContact O-N 3.4Å
15	Y	95	Very high	92.7	Very high	65 Å²	65	55.1 Å²	55.1	26%	0.255	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.8	168.9	-174.1	-140.8	0	0	0	109.1	I17 P21 R163 R164	Y15-I17 HydrophobicContact CD1-CB 4.25Å; Y15-I17 WeakPolarHBondContact CD1-O 3.26Å; Y15-I17 HydrophobicContact CE1-CB 3.71Å; Y15-I17 HydrophobicContact CE1-CG2 4.2Å; Y15-I17 WeakPolarHBondContact CE1-O 3.08Å; Y15-I17 HydrophobicContact CE2-CB 4.38Å; Y15-I17 PolarHBondContact O-N 3.23Å; Y15-P21 WeakPolarHBondContact O-CB 3.3Å; Y15-R163 VanDerWaalsContact CE2-NH2 3.33Å; Y15-R163 PolarHBondContact OH-NH2 3.09Å; Y15-R164 HydrophobicContact CD2-CB 4.33Å; Y15-R164 HydrophobicContact CD2-CG 4.17Å; Y15-R164 VanDerWaalsContact CD2-NE 3.29Å
16	S	94.1	Very high	93.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-67.8	-23.8	-173.6	60	0	0	0	0	113.7	P21 R36 L45 R163	S16-P21 WeakPolarHBondContact O-CG 3.29Å; S16-R36 WeakPolarHBondContact O-CD 3.46Å; S16-L45 VanDerWaalsContact CB-O 3.27Å; S16-L45 WeakPolarHBondContact CB-O 3.23Å; S16-L45 PolarHBondContact OG-O 3.11Å; S16-R163 PolarHBondContact N-O 3Å; S16-R163 WeakPolarHBondContact OG-CD 3.11Å; S16-R163 PolarHBondContact OG-NH1 2.81Å; S16-R163 PolarHBondContact OG-O 3.33Å; S16-R163 VanDerWaalsContact OG-O 3.13Å
17	I	89.6	Confident	93.7	Very high	66 Å²	66	52.9 Å²	52.9	34%	0.338	29%	0.286	S	S	.	.	S	Bend	trans	-90.7	108.4	173.4	-65.8	174.4	0	0	0	108.1	Y15 S44 L45 R163	Y15-I17 HydrophobicContact CD1-CB 4.25Å; Y15-I17 WeakPolarHBondContact CD1-O 3.26Å; Y15-I17 HydrophobicContact CE1-CB 3.71Å; Y15-I17 HydrophobicContact CE1-CG2 4.2Å; Y15-I17 WeakPolarHBondContact CE1-O 3.08Å; Y15-I17 HydrophobicContact CE2-CB 4.38Å; Y15-I17 PolarHBondContact O-N 3.23Å; I17-S44 WeakPolarHBondContact CD1-OG 3.36Å; I17-L45 HydrophobicContact CG1-CB 4.24Å; I17-R163 VanDerWaalsContact CD1-CZ 3.43Å
18	G	89.3	Confident	94.1	Very high	38 Å²	38	56.4 Å²	56.4	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	169.4	167.1	-179.9	0	0	0	0	0	110.4	R36	G18-R36 PolarHBondContact O-NH1 2.79Å
19	S	91	Very high	94.5	Very high	116 Å²	116	56.8 Å²	56.8	81%	0.811	30%	0.3	S	S	*	.	S	Bend	trans	-67.1	-40.8	178.5	56.3	0	0	0	0	111.9
20	K	93.7	Very high	94.6	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	33%	0.325	S	S	*	.			trans	-137.4	73.3	-178.2	-62.6	-177.5	-178.8	177.6	0	112.8	L22 Q23	K20-L22 PolarHBondContact O-N 3.19Å; K20-Q23 HydrophobicContact CB-CB 4.17Å; K20-Q23 WeakPolarHBondContact O-CB 3.31Å; K20-Q23 PolarHBondContact O-N 3.27Å
21	P	94.2	Very high	94.7	Very high	26 Å²	26	67.5 Å²	67.5	17%	0.169	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.4	-177.2	-29.8	37.8	0	0	0	115.6	Y15 S16	Y15-P21 WeakPolarHBondContact O-CB 3.3Å; S16-P21 WeakPolarHBondContact O-CG 3.29Å
22	L	95.3	Very high	94.7	Very high	23 Å²	23	68.3 Å²	68.3	12%	0.12	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	21.8	-177.1	-65.6	177.5	0	0	0	113.1	L14 K20 I24 W25 K27 I34 L47 I59	L14-L22 HydrophobicContact CD1-CD2 3.99Å; K20-L22 PolarHBondContact O-N 3.19Å; L22-I24 PolarHBondContact O-N 2.85Å; L22-W25 HydrophobicContact CB-CB 4.14Å; L22-W25 HydrophobicContact CD2-CB 3.69Å; L22-W25 HydrophobicContact CD2-CD2 4.37Å; L22-W25 HydrophobicContact CD2-CG 3.77Å; L22-W25 PolarHBondContact O-N 3.43Å; L22-W25 VanDerWaalsContact O-N 3.09Å; L22-K27 HydrophobicContact CD1-CD 3.57Å; L22-K27 HydrophobicContact CD1-CG 3.92Å; L22-I34 HydrophobicContact CD1-CG2 3.92Å; L22-L47 HydrophobicContact CD1-CD1 4.03Å; L22-L47 HydrophobicContact CD1-CD2 4.03Å; L22-L47 HydrophobicContact CD2-CD2 3.65Å; L22-L47 HydrophobicContact CG-CD1 4.44Å; L22-L47 HydrophobicContact CG-CD2 4.05Å; L22-I59 HydrophobicContact CD2-CD1 4.04Å; L22-I59 HydrophobicContact CD2-CG2 4.33Å
23	Q	94.6	Very high	94.9	Very high	156 Å²	156	68.6 Å²	68.6	73%	0.729	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.2	-177	179.9	177.6	0.5	0	0	113.4	K20	K20-Q23 HydrophobicContact CB-CB 4.17Å; K20-Q23 WeakPolarHBondContact O-CB 3.31Å; K20-Q23 PolarHBondContact O-N 3.27Å
24	I	95.9	Very high	94.9	Very high	31 Å²	31	69.8 Å²	69.8	16%	0.159	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	5	-177.3	71.3	171.8	0	0	0	112.8	M1 F2 I13 L22 C61 P62 A63	M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.31Å; M1-I24 HydrophobicContact SD-CB 4.08Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG2 4.14Å; F2-I24 HydrophobicContact CE2-CD1 4.1Å; F2-I24 HydrophobicContact CZ-CD1 4.05Å; I13-I24 HydrophobicContact CB-CD1 4.42Å; L22-I24 PolarHBondContact O-N 2.85Å; I24-C61 VanDerWaalsContact CD1-SG 3.53Å; I24-P62 CarbonylContact O-C 3.59Å; I24-P62 WeakPolarHBondContact O-CA 3.45Å; I24-A63 PolarHBondContact O-N 3.35Å
25	W	97.8	Very high	94.9	Very high	8 Å²	8	75.4 Å²	75.4	3%	0.03	38%	0.383	C	S	.	.			trans	-112.4	131.6	-172.4	-65.2	78	0	0	0	111	I13 L14 L22 I59 T60 C61 V154 I156	I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.9Å; I13-W25 HydrophobicContact CD1-CZ2 3.64Å; I13-W25 HydrophobicContact CG1-CZ2 3.9Å; I13-W25 PolarHBondContact O-NE1 2.91Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.29Å; L14-W25 HydrophobicContact CD1-CZ2 3.99Å; L22-W25 HydrophobicContact CB-CB 4.14Å; L22-W25 HydrophobicContact CD2-CB 3.69Å; L22-W25 HydrophobicContact CD2-CD2 4.37Å; L22-W25 HydrophobicContact CD2-CG 3.77Å; L22-W25 PolarHBondContact O-N 3.43Å; L22-W25 VanDerWaalsContact O-N 3.09Å; W25-I59 HydrophobicContact CD2-CD1 4.28Å; W25-I59 HydrophobicContact CE3-CB 3.85Å; W25-I59 HydrophobicContact CE3-CD1 3.74Å; W25-I59 HydrophobicContact CE3-CG1 3.71Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 3.95Å; W25-I59 HydrophobicContact CZ3-CG1 3.9Å; W25-T60 CarbonylContact C-O 3.56Å; W25-T60 VanDerWaalsContact CA-O 3.29Å; W25-T60 WeakPolarHBondContact CA-O 3.37Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.54Å; W25-C61 HydrophobicContact CG-CB 4.26Å; W25-C61 HydrophobicContact CH2-CB 3.74Å; W25-C61 HydrophobicContact CZ2-CB 3.75Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; W25-V154 HydrophobicContact CH2-CB 4.37Å; W25-V154 HydrophobicContact CH2-CG1 4.13Å; W25-I156 HydrophobicContact CH2-CD1 4.09Å; W25-I156 HydrophobicContact CZ3-CD1 4.34Å; W25-I156 HydrophobicContact CZ3-CG1 4.48Å
26	D	97.5	Very high	95	Very high	78 Å²	78	78 Å²	78	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	149.8	165.1	-178.5	42	0	0	0	110.2	I59 T60 A63	D26-I59 CarbonylContact O-C 3.58Å; D26-I59 VanDerWaalsContact O-CA 3.27Å; D26-I59 WeakPolarHBondContact O-CA 3.4Å; D26-T60 PolarHBondContact N-O 2.83Å; D26-T60 PolarHBondContact O-N 3.42Å; D26-A63 HydrophobicContact CB-CB 4.05Å
27	K	96.8	Very high	95.1	Very high	118 Å²	118	80.1 Å²	80.1	51%	0.513	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	-175.6	-68.5	174.8	-114.5	176.3	0	109.3	L22 I34 I59	L22-K27 HydrophobicContact CD1-CD 3.57Å; L22-K27 HydrophobicContact CD1-CG 3.92Å; K27-I34 HydrophobicContact CB-CD1 3.97Å; K27-I34 HydrophobicContact CD-CD1 4.35Å; K27-I34 HydrophobicContact CG-CD1 3.96Å; K27-I59 HydrophobicContact CG-CG2 4.14Å
28	K	97	Very high	95.4	Very high	112 Å²	112	81.1 Å²	81.1	49%	0.487	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	168.9	-163.7	174.4	-171.2	171	0	109.4	T57 Y58	K28-T57 CarbonylContact O-C 3.43Å; K28-T57 VanDerWaalsContact O-CA 3.26Å; K28-T57 WeakPolarHBondContact O-CA 3.27Å; K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.21Å; K28-Y58 HydrophobicContact CB-CE2 3.87Å; K28-Y58 HydrophobicContact CD-CE1 3.68Å; K28-Y58 HydrophobicContact CD-CE2 4.13Å; K28-Y58 WeakPolarHBondContact CD-OH 3.34Å; K28-Y58 HydrophobicContact CG-CE1 4.42Å; K28-Y58 PolarHBondContact N-O 2.94Å; K28-Y58 PolarHBondContact NZ-OH 3.02Å; K28-Y58 PolarHBondContact O-N 2.97Å
29	V	96.2	Very high	95.7	Very high	70 Å²	70	79.3 Å²	79.3	42%	0.424	39%	0.394	S	S	.	.			trans	-134.1	126.5	-178.1	-174.5	0	0	0	0	109	G32 I34 T57	V29-G32 VanDerWaalsContact CG1-C 3.4Å; V29-G32 WeakPolarHBondContact CG1-O 3.48Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.75Å; V29-T57 HydrophobicContact CG1-CG2 4.24Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å
30	R	95.4	Very high	95.7	Very high	169 Å²	169	80.3 Å²	80.3	64%	0.638	39%	0.39	S	S	*	.	S	Bend	trans	-142.6	120.3	170.5	-175.9	-177.7	-176.9	-176.3	1.5	108	T56 T57	R30-T56 PolarHBondContact O-OG1 3.11Å; R30-T57 PolarHBondContact N-OG1 2.83Å; R30-T57 PolarHBondContact O-OG1 2.84Å
31	N	94	Very high	95.6	Very high	117 Å²	117	75.6 Å²	75.6	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	53.7	51.7	-176.2	-57.3	-16.3	0	0	0	112.7	T52	N31-T52 WeakPolarHBondContact CB-OG1 3.5Å; N31-T52 PolarHBondContact O-N 2.63Å; N31-T52 PolarHBondContact O-OG1 3.06Å
32	G	95.2	Very high	95.5	Very high	34 Å²	34	75.1 Å²	75.1	35%	0.351	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-167.9	-177.7	0	0	0	0	0	111.7	V29 E50	V29-G32 VanDerWaalsContact CG1-C 3.4Å; V29-G32 WeakPolarHBondContact CG1-O 3.48Å; G32-E50 CarbonylContact C-O 3.59Å; G32-E50 WeakPolarHBondContact CA-O 3.44Å
33	H	97.2	Very high	95.3	Very high	51 Å²	51	81.1 Å²	81.1	24%	0.236	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158.5	176.8	60.1	-93.4	0	0	0	112.3	K35 E48 E50	H33-K35 HydrophobicContact CB-CD 4.45Å; H33-K35 HydrophobicContact CB-CG 4.36Å; H33-E48 IonicContact CD2-OE1 3.74Å; H33-E48 IonicContact CE1-OE1 3.89Å; H33-E48 IonicContact NE2-OE1 2.86Å; H33-E48 PolarHBondContact NE2-OE1 2.96Å; H33-E50 IonicContact CE1-OE2 3.98Å; H33-E50 PolarHBondContact CE1-OE2 3.48Å; H33-E50 VanDerWaalsContact CE1-OE2 3.27Å; H33-E50 PolarHBondContact N-O 2.94Å; H33-E50 IonicContact NE2-OE2 2.96Å; H33-E50 PolarHBondContact O-N 2.76Å
34	I	97.2	Very high	95.1	Very high	34 Å²	34	74.9 Å²	74.9	17%	0.174	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.6	167.5	-61.5	170.6	0	0	0	106.7	L22 K27 V29 L47 E48 V49 T57 I59	L22-I34 HydrophobicContact CD1-CG2 3.92Å; K27-I34 HydrophobicContact CB-CD1 3.97Å; K27-I34 HydrophobicContact CD-CD1 4.35Å; K27-I34 HydrophobicContact CG-CD1 3.96Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.75Å; I34-L47 HydrophobicContact CG2-CD1 3.84Å; I34-L47 HydrophobicContact CG2-CD2 4.5Å; I34-L47 HydrophobicContact CG2-CG 4.26Å; I34-E48 CarbonylContact C-O 3.55Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.15Å; I34-V49 HydrophobicContact CG1-CG1 4.08Å; I34-V49 HydrophobicContact CG1-CG2 4.3Å; I34-V49 HydrophobicContact CG2-CG2 4.34Å; I34-T57 HydrophobicContact CG1-CG2 4.49Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å
35	K	96.5	Very high	95.1	Very high	120 Å²	120	76.1 Å²	76.1	52%	0.522	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.7	-176.5	-68.2	178.7	-176.6	173.7	0	110.4	H33 I37 E48	H33-K35 HydrophobicContact CB-CD 4.45Å; H33-K35 HydrophobicContact CB-CG 4.36Å; K35-I37 HydrophobicContact CB-CG2 4.39Å; K35-E48 PolarHBondContact N-O 2.94Å; K35-E48 PolarHBondContact O-N 2.94Å
36	R	95.9	Very high	95	Very high	120 Å²	120	75.7 Å²	75.7	45%	0.453	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.6	169.2	-170.6	175.4	64.9	-174.5	-0.5	108.1	S16 G18 L45 V46	S16-R36 WeakPolarHBondContact O-CD 3.46Å; G18-R36 PolarHBondContact O-NH1 2.79Å; R36-L45 HydrophobicContact CG-CB 4.14Å; R36-L45 HydrophobicContact CG-CD2 4.25Å; R36-V46 VanDerWaalsContact CA-O 3.31Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å
37	I	96.4	Very high	95	Very high	45 Å²	45	72.4 Å²	72.4	23%	0.231	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161.2	-177.3	62.4	168.9	0	0	0	109.8	K35 L45 V46 E48 R161	K35-I37 HydrophobicContact CB-CG2 4.39Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.3Å; I37-V46 HydrophobicContact CD1-CG2 4.34Å; I37-V46 HydrophobicContact CG1-CG2 3.71Å; I37-V46 PolarHBondContact N-O 2.83Å; I37-V46 PolarHBondContact O-N 3Å; I37-E48 HydrophobicContact CD1-CB 4.11Å; I37-E48 VanDerWaalsContact CD1-OE2 3.3Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.43Å; I37-E48 HydrophobicContact CG1-CB 4.27Å; I37-R161 VanDerWaalsContact CD1-CZ 3.46Å
38	T	96	Very high	95.1	Very high	87 Å²	87	67.6 Å²	67.6	53%	0.534	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.1	168.2	-54.4	0	0	0	0	108.4	S44	T38-S44 WeakPolarHBondContact CA-O 3.5Å
39	D	95.1	Very high	95.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.5	174.7	-165.9	-94.1	0	0	0	110.1	D41 I42 Q43 S44 V46 K81 W129 R161	D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.83Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D39-D41 VanDerWaalsContact OD1-N 3.11Å; D39-I42 HydrophobicContact CB-CG1 3.87Å; D39-Q43 WeakPolarHBondContact O-CA 3.41Å; D39-Q43 PolarHBondContact O-N 2.76Å; D39-S44 PolarHBondContact N-O 2.88Å; D39-S44 PolarHBondContact O-N 2.67Å; D39-V46 HydrophobicContact CB-CG1 3.92Å; D39-V46 HydrophobicContact CB-CG2 3.84Å; D39-K81 VanDerWaalsContact CG-NZ 3.35Å; D39-K81 IonicContact OD1-NZ 3.75Å; D39-K81 PolarHBondContact OD1-NZ 3.49Å; D39-K81 WeakPolarHBondContact OD2-CD 3.23Å; D39-K81 IonicContact OD2-NZ 3.27Å; D39-K81 PolarHBondContact OD2-NZ 3.3Å; D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 3.22Å; D39-W129 VanDerWaalsContact OD1-NE1 3.12Å; D39-R161 WeakPolarHBondContact OD2-CD 3.45Å; D39-R161 IonicContact OD2-CZ 2.84Å; D39-R161 IonicContact OD2-NE 2.83Å; D39-R161 IonicContact OD2-NH1 3.99Å; D39-R161 PolarHBondContact OD2-NH1 2.97Å
40	N	92.4	Very high	95.1	Very high	136 Å²	136	61 Å²	61	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.5	-176.1	-65.5	-17.4	0	0	0	113
41	D	90.6	Very high	95.2	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-35.4	-173.7	-59.3	-10.5	0	0	0	111.4	D39 K81 L185 P186	D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.83Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D39-D41 VanDerWaalsContact OD1-N 3.11Å; D41-K81 VanDerWaalsContact CG-NZ 3.26Å; D41-K81 IonicContact OD1-NZ 2.94Å; D41-K81 WeakPolarHBondContact OD2-CE 3.43Å; D41-K81 IonicContact OD2-NZ 2.76Å; D41-K81 PolarHBondContact OD2-NZ 3.46Å; D41-L185 HydrophobicContact CB-CD2 4.31Å; D41-P186 WeakPolarHBondContact O-CD 3.32Å
42	I	91.5	Very high	95.2	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.082	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-0.1	-179.9	60.6	163.2	0	0	0	112.9	D39 S44 V46 W129 R163 L183 L185	D39-I42 HydrophobicContact CB-CG1 3.87Å; I42-S44 WeakPolarHBondContact O-CB 3.38Å; I42-S44 PolarHBondContact O-N 3.43Å; I42-S44 VanDerWaalsContact O-N 3.14Å; I42-V46 HydrophobicContact CD1-CG1 3.62Å; I42-V46 HydrophobicContact CG1-CG1 4.43Å; I42-W129 HydrophobicContact CD1-CH2 4.12Å; I42-W129 HydrophobicContact CD1-CZ2 3.66Å; I42-W129 HydrophobicContact CG1-CZ2 4.03Å; I42-W129 HydrophobicContact CG2-CD2 4.39Å; I42-W129 HydrophobicContact CG2-CG 4.28Å; I42-R163 HydrophobicContact CD1-CG 4.39Å; I42-L183 HydrophobicContact CG2-CD1 3.78Å; I42-L185 HydrophobicContact CG2-CD2 3.63Å
43	Q	91.2	Very high	95.1	Very high	149 Å²	149	55.2 Å²	55.2	70%	0.696	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	41.2	-177.4	-62.4	-178.3	-17.5	0	0	113.2	D39 P186	D39-Q43 WeakPolarHBondContact O-CA 3.41Å; D39-Q43 PolarHBondContact O-N 2.76Å; Q43-P186 HydrophobicContact CG-CG 4.18Å
44	S	92.4	Very high	94.9	Very high	24 Å²	24	53.4 Å²	53.4	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.1	-169.6	-159.6	0	0	0	0	112.4	I17 T38 D39 I42 V46	I17-S44 WeakPolarHBondContact CD1-OG 3.36Å; T38-S44 WeakPolarHBondContact CA-O 3.5Å; D39-S44 PolarHBondContact N-O 2.88Å; D39-S44 PolarHBondContact O-N 2.67Å; I42-S44 WeakPolarHBondContact O-CB 3.38Å; I42-S44 PolarHBondContact O-N 3.43Å; I42-S44 VanDerWaalsContact O-N 3.14Å; S44-V46 PolarHBondContact O-N 3.14Å
45	L	94.7	Very high	94.7	Very high	57 Å²	57	55 Å²	55	30%	0.298	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130	178.6	-67.8	173.6	0	0	0	110.5	S16 I17 R36 I37	S16-L45 VanDerWaalsContact CB-O 3.27Å; S16-L45 WeakPolarHBondContact CB-O 3.23Å; S16-L45 PolarHBondContact OG-O 3.11Å; I17-L45 HydrophobicContact CG1-CB 4.24Å; R36-L45 HydrophobicContact CG-CB 4.14Å; R36-L45 HydrophobicContact CG-CD2 4.25Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.3Å
46	V	96.8	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.3	177.1	-58.2	0	0	0	0	110.1	R36 I37 D39 I42 S44 W129 R161	R36-V46 VanDerWaalsContact CA-O 3.31Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å; I37-V46 HydrophobicContact CD1-CG2 4.34Å; I37-V46 HydrophobicContact CG1-CG2 3.71Å; I37-V46 PolarHBondContact N-O 2.83Å; I37-V46 PolarHBondContact O-N 3Å; D39-V46 HydrophobicContact CB-CG1 3.92Å; D39-V46 HydrophobicContact CB-CG2 3.84Å; I42-V46 HydrophobicContact CD1-CG1 3.62Å; I42-V46 HydrophobicContact CG1-CG1 4.43Å; S44-V46 PolarHBondContact O-N 3.14Å; V46-W129 HydrophobicContact CB-CH2 4.12Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.65Å; V46-R161 HydrophobicContact CB-CB 4.43Å; V46-R161 HydrophobicContact CG2-CB 4.06Å; V46-R161 HydrophobicContact CG2-CG 4.28Å
47	L	97.4	Very high	94.7	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.1	174	-173.2	76.5	0	0	0	109.1	L14 L22 I34 V49 I59 R161 I162	L14-L47 HydrophobicContact CD1-CD2 4.1Å; L22-L47 HydrophobicContact CD1-CD1 4.03Å; L22-L47 HydrophobicContact CD1-CD2 4.03Å; L22-L47 HydrophobicContact CD2-CD2 3.65Å; L22-L47 HydrophobicContact CG-CD1 4.44Å; L22-L47 HydrophobicContact CG-CD2 4.05Å; I34-L47 HydrophobicContact CG2-CD1 3.84Å; I34-L47 HydrophobicContact CG2-CD2 4.5Å; I34-L47 HydrophobicContact CG2-CG 4.26Å; L47-V49 HydrophobicContact CD2-CG2 4.25Å; L47-V49 HydrophobicContact CG-CG2 4.38Å; L47-I59 HydrophobicContact CD2-CD1 4.08Å; L47-R161 CarbonylContact O-C 3.48Å; L47-R161 WeakPolarHBondContact O-CA 3.24Å; L47-I162 HydrophobicContact CB-CB 4.5Å; L47-I162 PolarHBondContact N-O 3.25Å; L47-I162 PolarHBondContact O-N 2.95Å
48	E	97.8	Very high	94.7	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.3	172.3	-172.8	172.8	79.7	0	0	109.7	H33 I34 K35 I37 E50 R161	H33-E48 IonicContact CD2-OE1 3.74Å; H33-E48 IonicContact CE1-OE1 3.89Å; H33-E48 IonicContact NE2-OE1 2.86Å; H33-E48 PolarHBondContact NE2-OE1 2.96Å; I34-E48 CarbonylContact C-O 3.55Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.15Å; K35-E48 PolarHBondContact N-O 2.94Å; K35-E48 PolarHBondContact O-N 2.94Å; I37-E48 HydrophobicContact CD1-CB 4.11Å; I37-E48 VanDerWaalsContact CD1-OE2 3.3Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.43Å; I37-E48 HydrophobicContact CG1-CB 4.27Å; E48-E50 HydrophobicContact CG-CB 4.39Å; E48-R161 HydrophobicContact CB-CG 4.15Å; E48-R161 HydrophobicContact CG-CG 4.1Å; E48-R161 IonicContact OE2-CZ 3.29Å; E48-R161 VanDerWaalsContact OE2-CZ 3.27Å; E48-R161 IonicContact OE2-NE 3.27Å; E48-R161 PolarHBondContact OE2-NE 3.38Å; E48-R161 IonicContact OE2-NH2 3.58Å; E48-R161 PolarHBondContact OE2-NH2 3.3Å
49	V	97.4	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109	171.7	-176.5	0	0	0	0	105.9	I34 L47 T57 I59 A158 N159 C160 I162	I34-V49 HydrophobicContact CG1-CG1 4.08Å; I34-V49 HydrophobicContact CG1-CG2 4.3Å; I34-V49 HydrophobicContact CG2-CG2 4.34Å; L47-V49 HydrophobicContact CD2-CG2 4.25Å; L47-V49 HydrophobicContact CG-CG2 4.38Å; V49-T57 HydrophobicContact CG1-CG2 3.93Å; V49-I59 HydrophobicContact CG2-CG2 4.48Å; V49-A158 CarbonylContact O-C 3.53Å; V49-N159 WeakPolarHBondContact O-CA 3.43Å; V49-N159 PolarHBondContact O-N 3.16Å; V49-C160 PolarHBondContact N-O 2.7Å; V49-C160 PolarHBondContact O-N 3.31Å; V49-C160 VanDerWaalsContact O-N 3.15Å; V49-I162 HydrophobicContact CG2-CD1 4.16Å
50	E	96.9	Very high	95	Very high	44 Å²	44	40.9 Å²	40.9	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.3	-175.3	-170.3	171.3	-167.9	0	0	110.8	G32 H33 E48 K85	G32-E50 CarbonylContact C-O 3.59Å; G32-E50 WeakPolarHBondContact CA-O 3.44Å; H33-E50 IonicContact CE1-OE2 3.98Å; H33-E50 PolarHBondContact CE1-OE2 3.48Å; H33-E50 VanDerWaalsContact CE1-OE2 3.27Å; H33-E50 PolarHBondContact N-O 2.94Å; H33-E50 IonicContact NE2-OE2 2.96Å; H33-E50 PolarHBondContact O-N 2.76Å; E48-E50 HydrophobicContact CG-CB 4.39Å; E50-K85 IonicContact OE1-NZ 2.6Å; E50-K85 PolarHBondContact OE1-NZ 3.43Å
51	G	95.7	Very high	95.2	Very high	6 Å²	6	34.4 Å²	34.4	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	146.6	180	0	0	0	0	0	112.4	N53 N159	G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.9Å; G51-N159 PolarHBondContact N-OD1 3.15Å; G51-N159 PolarHBondContact O-ND2 2.94Å; G51-N159 PolarHBondContact O-OD1 2.95Å
52	T	94.3	Very high	95.6	Very high	115 Å²	115	32 Å²	32	71%	0.706	18%	0.176	S	C	*	.	S	Bend	trans	-59.5	-41.3	178	51	0	0	0	0	112.1	N31	N31-T52 WeakPolarHBondContact CB-OG1 3.5Å; N31-T52 PolarHBondContact O-N 2.63Å; N31-T52 PolarHBondContact O-OG1 3.06Å
53	N	93	Very high	95.8	Very high	78 Å²	78	33.2 Å²	33.2	42%	0.417	19%	0.189	S	C	.	.	S	Bend	trans	-111.3	117.3	173.8	-176.1	-21.2	0	0	0	110.4	G51 S55 T56	G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.9Å; N53-S55 PolarHBondContact O-N 2.92Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 PolarHBondContact OD1-OG 2.9Å; N53-T56 HydrophobicContact CB-CG2 4.16Å; N53-T56 PolarHBondContact O-N 2.79Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact O-OG1 3.45Å
54	V	93.6	Very high	96	Very high	13 Å²	13	29 Å²	29	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.5	-179.8	-174.8	0	0	0	0	112.2	T56 Y86 T88 Y108 H157	V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.12Å; V54-Y86 VanDerWaalsContact CG2-CB 3.48Å; V54-Y86 WeakPolarHBondContact CG2-O 2.99Å; V54-T88 HydrophobicContact CG1-CG2 3.63Å; V54-Y108 HydrophobicContact CG1-CE1 4.46Å; V54-H157 HydrophobicContact CG1-CB 3.7Å; V54-H157 WeakPolarHBondContact O-CB 3.38Å; V54-H157 PolarHBondContact O-ND1 2.82Å
55	S	92.7	Very high	96	Very high	66 Å²	66	32.8 Å²	32.8	46%	0.462	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.9	-175.2	67.5	0	0	0	0	114.3	N53 Y58	N53-S55 PolarHBondContact O-N 2.92Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 PolarHBondContact OD1-OG 2.9Å; S55-Y58 WeakPolarHBondContact O-CD1 3.38Å; S55-Y58 WeakPolarHBondContact O-CE1 3.29Å
56	T	95.2	Very high	96	Very high	26 Å²	26	39.4 Å²	39.4	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-13.2	-171	64.2	0	0	0	0	114.5	R30 N53 V54	R30-T56 PolarHBondContact O-OG1 3.11Å; N53-T56 HydrophobicContact CB-CG2 4.16Å; N53-T56 PolarHBondContact O-N 2.79Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact O-OG1 3.45Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.12Å
57	T	97.1	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-120	116.6	174.2	-62.7	0	0	0	0	109.4	K28 V29 R30 I34 V49 A158	K28-T57 CarbonylContact O-C 3.43Å; K28-T57 VanDerWaalsContact O-CA 3.26Å; K28-T57 WeakPolarHBondContact O-CA 3.27Å; V29-T57 HydrophobicContact CG1-CG2 4.24Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å; R30-T57 PolarHBondContact N-OG1 2.83Å; R30-T57 PolarHBondContact O-OG1 2.84Å; I34-T57 HydrophobicContact CG1-CG2 4.49Å; V49-T57 HydrophobicContact CG1-CG2 3.93Å; T57-A158 HydrophobicContact CG2-CB 4.24Å; T57-A158 WeakPolarHBondContact O-CB 3.49Å; T57-A158 PolarHBondContact O-N 2.64Å
58	Y	97.9	Very high	95.8	Very high	40 Å²	40	47.4 Å²	47.4	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	160.6	-177.8	57	-100.4	0	0	0	111.8	K28 S55 T60 Q155 I156	K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.21Å; K28-Y58 HydrophobicContact CB-CE2 3.87Å; K28-Y58 HydrophobicContact CD-CE1 3.68Å; K28-Y58 HydrophobicContact CD-CE2 4.13Å; K28-Y58 WeakPolarHBondContact CD-OH 3.34Å; K28-Y58 HydrophobicContact CG-CE1 4.42Å; K28-Y58 PolarHBondContact N-O 2.94Å; K28-Y58 PolarHBondContact NZ-OH 3.02Å; K28-Y58 PolarHBondContact O-N 2.97Å; S55-Y58 WeakPolarHBondContact O-CD1 3.38Å; S55-Y58 WeakPolarHBondContact O-CE1 3.29Å; Y58-T60 WeakPolarHBondContact CD2-OG1 2.97Å; Y58-Q155 HydrophobicContact CD2-CG 3.95Å; Y58-Q155 HydrophobicContact CG-CG 4.22Å; Y58-I156 CarbonylContact C-O 3.59Å; Y58-I156 VanDerWaalsContact CA-O 3.23Å; Y58-I156 WeakPolarHBondContact CA-O 3.43Å; Y58-I156 VanDerWaalsContact CB-O 3.3Å; Y58-I156 WeakPolarHBondContact CB-O 3.2Å
59	I	98.1	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145	167.8	58.1	175.1	0	0	0	109.8	L14 L22 W25 D26 K27 I34 L47 V49 Q155 I156 I162	L14-I59 HydrophobicContact CD1-CD1 3.74Å; L22-I59 HydrophobicContact CD2-CD1 4.04Å; L22-I59 HydrophobicContact CD2-CG2 4.33Å; W25-I59 HydrophobicContact CD2-CD1 4.28Å; W25-I59 HydrophobicContact CE3-CB 3.85Å; W25-I59 HydrophobicContact CE3-CD1 3.74Å; W25-I59 HydrophobicContact CE3-CG1 3.71Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 3.95Å; W25-I59 HydrophobicContact CZ3-CG1 3.9Å; D26-I59 CarbonylContact O-C 3.58Å; D26-I59 VanDerWaalsContact O-CA 3.27Å; D26-I59 WeakPolarHBondContact O-CA 3.4Å; K27-I59 HydrophobicContact CG-CG2 4.14Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å; L47-I59 HydrophobicContact CD2-CD1 4.08Å; V49-I59 HydrophobicContact CG2-CG2 4.48Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4Å; I59-I156 PolarHBondContact N-O 2.89Å; I59-I156 PolarHBondContact O-N 2.94Å; I59-I162 HydrophobicContact CD1-CD1 3.83Å
60	T	98	Very high	95.7	Very high	10 Å²	10	46.7 Å²	46.7	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.5	-177.5	-61	0	0	0	0	111.4	W25 D26 Y58 R153 V154	W25-T60 CarbonylContact C-O 3.56Å; W25-T60 VanDerWaalsContact CA-O 3.29Å; W25-T60 WeakPolarHBondContact CA-O 3.37Å; D26-T60 PolarHBondContact N-O 2.83Å; D26-T60 PolarHBondContact O-N 3.42Å; Y58-T60 WeakPolarHBondContact CD2-OG1 2.97Å; T60-R153 HydrophobicContact CG2-CG 3.8Å; T60-V154 WeakPolarHBondContact CA-O 3.39Å
61	C	97.6	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.4	176.6	-169	0	0	0	0	110.5	I24 W25 L69 R153 V154	I24-C61 VanDerWaalsContact CD1-SG 3.53Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.54Å; W25-C61 HydrophobicContact CG-CB 4.26Å; W25-C61 HydrophobicContact CH2-CB 3.74Å; W25-C61 HydrophobicContact CZ2-CB 3.75Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; C61-L69 VanDerWaalsContact SG-CD2 3.56Å; C61-R153 CarbonylContact O-C 3.52Å; C61-R153 VanDerWaalsContact O-CA 3.26Å; C61-R153 WeakPolarHBondContact O-CA 3.39Å; C61-R153 WeakPolarHBondContact O-CG 3.23Å; C61-V154 PolarHBondContact N-O 2.66Å; C61-V154 PolarHBondContact O-N 3.2Å
62	P	97.3	Very high	95.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	27%	0.27	C	S	.	.	S	Bend	cis	-79.3	160	4.3	33	-33.9	0	0	0	112.7	I24 D64 K67 R153	I24-P62 CarbonylContact O-C 3.59Å; I24-P62 WeakPolarHBondContact O-CA 3.45Å; P62-D64 VanDerWaalsContact C-N 3.3Å; P62-D64 PolarHBondContact O-N 2.84Å; P62-K67 HydrophobicContact CB-CB 4.38Å; P62-K67 HydrophobicContact CG-CB 3.98Å; P62-K67 WeakPolarHBondContact CG-O 3.46Å; P62-R153 PolarHBondContact O-NH1 2.81Å
63	A	96.3	Very high	95.8	Very high	42 Å²	42	45.1 Å²	45.1	35%	0.347	24%	0.238	S	C	.	.	S	Bend	trans	-59.5	-38.3	179.7	0	0	0	0	0	113.3	I24 D26 P65	I24-A63 PolarHBondContact O-N 3.35Å; D26-A63 HydrophobicContact CB-CB 4.05Å; A63-P65 WeakPolarHBondContact O-CD 3.27Å
64	D	95	Very high	96	Very high	59 Å²	59	42.8 Å²	42.8	32%	0.316	23%	0.227	S	C	.	.	S	Bend	trans	-78.6	121.4	175.3	-176.6	-13.2	0	0	0	110.5	P62 K66 K67 R153	P62-D64 VanDerWaalsContact C-N 3.3Å; P62-D64 PolarHBondContact O-N 2.84Å; D64-K66 PolarHBondContact O-N 3.18Å; D64-K66 WeakPolarHBondContact OD1-CB 3.48Å; D64-K66 PolarHBondContact OD1-N 3.09Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.95Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.04Å; D64-K67 WeakPolarHBondContact OD2-CE 3.33Å; D64-R153 PolarHBondContact O-NH2 2.89Å
65	P	93.6	Very high	96.2	Very high	105 Å²	105	43.4 Å²	43.4	68%	0.682	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.9	176.1	-25.3	35.7	0	0	0	114.2	A63 R153	A63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-R153 VanDerWaalsContact CA-NH2 3.34Å; P65-R153 PolarHBondContact O-NH2 3.25Å
66	K	94.1	Very high	96.4	Very high	195 Å²	195	40.2 Å²	40.2	85%	0.848	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.1	-179.2	-61.2	-177.9	-179.9	179.3	0	113	D64	D64-K66 PolarHBondContact O-N 3.18Å; D64-K66 WeakPolarHBondContact OD1-CB 3.48Å; D64-K66 PolarHBondContact OD1-N 3.09Å
67	K	94.8	Very high	96.5	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	20%	0.2	S	C	.	.			trans	-88.7	159	178.7	-67.5	-177.6	-174.5	179.5	0	111.3	P62 D64 R153	P62-K67 HydrophobicContact CB-CB 4.38Å; P62-K67 HydrophobicContact CG-CB 3.98Å; P62-K67 WeakPolarHBondContact CG-O 3.46Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.95Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.04Å; D64-K67 WeakPolarHBondContact OD2-CE 3.33Å; K67-R153 PolarHBondContact O-NH2 3.42Å
68	T	96.2	Very high	96.5	Very high	51 Å²	51	39.1 Å²	39.1	31%	0.313	20%	0.2	S	C	.	.			trans	-120.1	156.2	171.7	63.5	0	0	0	0	110.2	M1 L152	M1-T68 PolarHBondContact N-O 3.02Å; T68-L152 CarbonylContact C-O 3.51Å; T68-L152 WeakPolarHBondContact CA-O 3.37Å; T68-L152 HydrophobicContact CG2-CB 4.31Å; T68-L152 HydrophobicContact CG2-CD2 4.01Å
69	L	95.7	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-63.1	-59.4	171.3	-82.9	170.3	0	0	0	110.2	M1 F2 I13 C61 I71 T151 L152 V154	M1-L69 PolarHBondContact N-O 2.86Å; F2-L69 HydrophobicContact CD2-CD2 3.74Å; F2-L69 HydrophobicContact CE2-CD2 3.65Å; F2-L69 PolarHBondContact N-O 3.48Å; I13-L69 HydrophobicContact CG2-CD2 4.49Å; C61-L69 VanDerWaalsContact SG-CD2 3.56Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.13Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4Å; L69-I71 HydrophobicContact CG-CD1 4.37Å; L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.24Å; L69-L152 PolarHBondContact N-O 2.79Å; L69-V154 HydrophobicContact CD1-CG2 3.95Å
70	G	96	Very high	96.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	19%	0.193	C	C	.	.			trans	76.1	42.3	-177.5	0	0	0	0	0	112.1	Q7 E150 T151	Q7-G70 PolarHBondContact NE2-O 2.55Å; G70-E150 WeakPolarHBondContact CA-OE2 3.39Å; G70-T151 PolarHBondContact N-O 2.87Å
71	I	97.1	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-99.5	125.1	-178.9	-63.7	171.9	0	0	0	109.1	F2 Q7 L11 I13 L69 L73 Y148 E150 T151 F167	F2-I71 HydrophobicContact CB-CG1 3.98Å; F2-I71 HydrophobicContact CD2-CD1 4.02Å; F2-I71 HydrophobicContact CD2-CG1 4.09Å; F2-I71 HydrophobicContact CG-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.24Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.69Å; L11-I71 HydrophobicContact CD2-CG1 3.64Å; L11-I71 HydrophobicContact CD2-CG2 4.01Å; I13-I71 HydrophobicContact CG2-CD1 3.67Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.13Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4Å; L69-I71 HydrophobicContact CG-CD1 4.37Å; I71-L73 HydrophobicContact CG2-CB 4Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; I71-Y148 PolarHBondContact O-OH 3.14Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; I71-T151 PolarHBondContact N-O 2.9Å; I71-T151 PolarHBondContact O-N 2.79Å; I71-F167 HydrophobicContact CD1-CD2 3.68Å; I71-F167 HydrophobicContact CD1-CE2 3.46Å; I71-F167 VanDerWaalsContact CD1-CE2 3.46Å; I71-F167 HydrophobicContact CD1-CG 4.48Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 4.04Å; I71-F167 HydrophobicContact CG2-CD1 3.75Å; I71-F167 HydrophobicContact CG2-CD2 3.95Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CE2 4.31Å; I71-F167 HydrophobicContact CG2-CG 3.66Å; I71-F167 HydrophobicContact CG2-CZ 4.39Å
72	K	96.6	Very high	96.2	Very high	124 Å²	124	39 Å²	39	54%	0.539	20%	0.201	S	C	.	.			trans	-98.3	-6.3	-176.4	-59	-177.3	-178.9	179.7	0	113.8	Y148 E150	K72-Y148 WeakPolarHBondContact O-CE1 3.45Å; K72-E150 HydrophobicContact CG-CB 4.4Å
73	L	96.8	Very high	96.1	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	21%	0.21	C	C	.	.			trans	-65.1	131.9	176.7	-65.4	180	0	0	0	110	Q7 L11 I71 Y148 F167 D169	Q7-L73 HydrophobicContact CB-CD2 4.43Å; Q7-L73 HydrophobicContact CB-CG 4.25Å; L11-L73 HydrophobicContact CB-CD1 3.69Å; I71-L73 HydrophobicContact CG2-CB 4Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; L73-Y148 WeakPolarHBondContact O-CE1 3.4Å; L73-Y148 PolarHBondContact O-OH 2.76Å; L73-F167 HydrophobicContact CB-CB 3.66Å; L73-F167 HydrophobicContact CB-CD1 4.46Å; L73-F167 HydrophobicContact CB-CG 4.46Å; L73-F167 HydrophobicContact CD1-CB 3.73Å; L73-F167 HydrophobicContact CG-CB 4.32Å; L73-D169 HydrophobicContact CD2-CB 3.9Å
74	P	96.7	Very high	96	Very high	28 Å²	28	45.8 Å²	45.8	18%	0.182	22%	0.223	C	C	.	.	S	Bend	trans	-79.2	-25.3	-171.1	28.9	-34.9	0	0	0	114.7	L136 S168 D169	P74-L136 VanDerWaalsContact O-CB 3.28Å; P74-L136 WeakPolarHBondContact O-CB 3.3Å; P74-L136 PolarHBondContact O-N 3.45Å; P74-S168 WeakPolarHBondContact CD-O 3.45Å; P74-D169 VanDerWaalsContact CG-O 3.24Å; P74-D169 WeakPolarHBondContact CG-O 2.98Å
75	F	97.4	Very high	96	Very high	26 Å²	26	47.4 Å²	47.4	11%	0.114	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.8	-179	-63.3	-83.6	0	0	0	110.2	F134 N135 F167 S168 L171	F75-F134 WeakPolarHBondContact CA-O 3.38Å; F75-N135 HydrophobicContact CD1-CB 3.96Å; F75-N135 HydrophobicContact CE1-CB 3.66Å; F75-N135 VanDerWaalsContact CE1-CG 3.46Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.39Å; F75-F167 WeakPolarHBondContact O-CB 3.24Å; F75-S168 WeakPolarHBondContact CB-OG 3.48Å; F75-S168 PolarHBondContact N-O 3.47Å; F75-S168 VanDerWaalsContact N-O 3.11Å; F75-S168 PolarHBondContact O-N 2.7Å; F75-L171 HydrophobicContact CB-CD2 4.38Å; F75-L171 HydrophobicContact CD1-CD1 4.44Å; F75-L171 HydrophobicContact CD1-CD2 3.29Å; F75-L171 HydrophobicContact CD1-CG 3.71Å; F75-L171 HydrophobicContact CE1-CD1 3.91Å; F75-L171 HydrophobicContact CE1-CD2 3.61Å; F75-L171 HydrophobicContact CE1-CG 3.44Å; F75-L171 VanDerWaalsContact CE1-CG 3.44Å; F75-L171 HydrophobicContact CG-CD2 3.83Å; F75-L171 HydrophobicContact CG-CG 4.32Å; F75-L171 HydrophobicContact CZ-CD2 4.4Å; F75-L171 HydrophobicContact CZ-CG 3.9Å
76	L	97.7	Very high	96.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	165.2	169.2	67.8	0	0	0	108.1	M78 V91 F134 L136 V165 F167	L76-M78 HydrophobicContact CD1-CG 4.49Å; L76-M78 HydrophobicContact CD2-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.46Å; L76-V91 HydrophobicContact CD2-CG2 3.42Å; L76-V91 VanDerWaalsContact CD2-CG2 3.42Å; L76-F134 HydrophobicContact CB-CB 4.25Å; L76-F134 PolarHBondContact N-O 3.13Å; L76-F134 WeakPolarHBondContact O-CB 3.33Å; L76-F134 PolarHBondContact O-N 2.98Å; L76-L136 HydrophobicContact CB-CD1 4.02Å; L76-L136 HydrophobicContact CB-CG 4.48Å; L76-V165 HydrophobicContact CD1-CG1 3.71Å; L76-F167 HydrophobicContact CB-CD1 4.2Å; L76-F167 HydrophobicContact CB-CE1 4.01Å; L76-F167 HydrophobicContact CD1-CD1 4.43Å; L76-F167 HydrophobicContact CD1-CD2 4.27Å; L76-F167 HydrophobicContact CD1-CE1 4.11Å; L76-F167 HydrophobicContact CD1-CE2 3.93Å; L76-F167 HydrophobicContact CD1-CZ 3.83Å
77	V	96.8	Very high	96.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	178.8	-172.7	0	0	0	0	110.3	Q131 I132 Q133 V165 Y166	V77-Q131 HydrophobicContact CG1-CG 3.61Å; V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; V77-Q133 HydrophobicContact CG1-CG 4.24Å; V77-Q133 HydrophobicContact CG2-CG 4.25Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; V77-Y166 HydrophobicContact CB-CD1 4.11Å; V77-Y166 HydrophobicContact CB-CD2 4.21Å; V77-Y166 HydrophobicContact CB-CE1 3.66Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.41Å; V77-Y166 HydrophobicContact CG1-CE1 3.55Å; V77-Y166 HydrophobicContact CG1-CE2 4.25Å; V77-Y166 VanDerWaalsContact CG1-CZ 3.47Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.35Å; V77-Y166 HydrophobicContact CG2-CE2 3.96Å; V77-Y166 PolarHBondContact N-O 2.86Å; V77-Y166 PolarHBondContact O-N 3.16Å; V77-Y166 VanDerWaalsContact O-O 3.11Å
78	M	96.8	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.6	178.3	-64.5	-178.3	-75.2	0	0	110.6	L76 I80 F89 Q131 I132 I156 V165	L76-M78 HydrophobicContact CD1-CG 4.49Å; L76-M78 HydrophobicContact CD2-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.46Å; M78-I80 HydrophobicContact CB-CG2 4.09Å; M78-F89 HydrophobicContact CE-CB 4.48Å; M78-F89 HydrophobicContact CE-CD1 3.6Å; M78-F89 HydrophobicContact CE-CD2 3.53Å; M78-F89 HydrophobicContact CE-CE1 3.48Å; M78-F89 VanDerWaalsContact CE-CE1 3.48Å; M78-F89 HydrophobicContact CE-CE2 3.45Å; M78-F89 VanDerWaalsContact CE-CE2 3.45Å; M78-F89 HydrophobicContact CE-CG 3.61Å; M78-F89 HydrophobicContact CE-CZ 3.42Å; M78-F89 VanDerWaalsContact CE-CZ 3.42Å; M78-F89 HydrophobicContact SD-CD2 4.38Å; M78-F89 HydrophobicContact SD-CG 4.33Å; M78-Q131 WeakPolarHBondContact O-CA 2.99Å; M78-I132 HydrophobicContact CB-CB 4.49Å; M78-I132 HydrophobicContact CE-CB 4.48Å; M78-I132 HydrophobicContact CE-CD1 4.25Å; M78-I132 HydrophobicContact CE-CG2 4.33Å; M78-I132 PolarHBondContact N-O 3.14Å; M78-I132 PolarHBondContact O-N 3.07Å; M78-I156 HydrophobicContact SD-CD1 3.96Å; M78-I156 HydrophobicContact SD-CG1 4.35Å; M78-V165 HydrophobicContact CG-CB 4.33Å; M78-V165 HydrophobicContact CG-CG1 3.77Å; M78-V165 HydrophobicContact CG-CG2 3.99Å
79	I	96.1	Very high	96.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106	172.7	-56.9	178.7	0	0	0	107.4	W129 N130 R163 R164 F181 L183	I79-W129 HydrophobicContact CG2-CE3 3.9Å; I79-W129 HydrophobicContact CG2-CZ3 4.12Å; I79-N130 WeakPolarHBondContact CA-O 3.37Å; I79-R163 HydrophobicContact CB-CB 4.16Å; I79-R163 HydrophobicContact CG2-CB 3.85Å; I79-R163 HydrophobicContact CG2-CG 4.32Å; I79-R163 PolarHBondContact O-N 3.09Å; I79-R164 HydrophobicContact CD1-CB 4.16Å; I79-R164 HydrophobicContact CG1-CB 4.48Å; I79-R164 PolarHBondContact N-O 3.31Å; I79-F181 WeakPolarHBondContact CD1-O 3.37Å; I79-L183 HydrophobicContact CG2-CD1 3.99Å
80	I	96.5	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.4	-175.1	68.6	164.6	0	0	0	112.2	M78 F87 L125 W129 N130 I132 R161 I162	M78-I80 HydrophobicContact CB-CG2 4.09Å; I80-F87 HydrophobicContact CD1-CD1 3.95Å; I80-F87 HydrophobicContact CD1-CE1 3.36Å; I80-F87 HydrophobicContact CD1-CZ 3.73Å; I80-L125 HydrophobicContact CD1-CD1 4.05Å; I80-L125 HydrophobicContact CD1-CD2 4.2Å; I80-W129 VanDerWaalsContact C-CE3 3.47Å; I80-N130 HydrophobicContact CG1-CB 4.49Å; I80-N130 PolarHBondContact N-O 2.81Å; I80-N130 PolarHBondContact O-N 3.11Å; I80-I132 HydrophobicContact CD1-CD1 3.34Å; I80-I132 HydrophobicContact CD1-CG1 4.39Å; I80-I132 HydrophobicContact CG1-CD1 3.77Å; I80-I132 HydrophobicContact CG1-CG1 4.4Å; I80-R161 CarbonylContact C-O 3.48Å; I80-R161 WeakPolarHBondContact CA-O 3.31Å; I80-I162 HydrophobicContact CG2-CG1 4.37Å
81	K	97	Very high	96.7	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.096	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.3	169.2	-158.4	179.5	-170.3	166.7	0	110.2	D39 D41 L83 G128 W129 R161	D39-K81 VanDerWaalsContact CG-NZ 3.35Å; D39-K81 IonicContact OD1-NZ 3.75Å; D39-K81 PolarHBondContact OD1-NZ 3.49Å; D39-K81 WeakPolarHBondContact OD2-CD 3.23Å; D39-K81 IonicContact OD2-NZ 3.27Å; D39-K81 PolarHBondContact OD2-NZ 3.3Å; D41-K81 VanDerWaalsContact CG-NZ 3.26Å; D41-K81 IonicContact OD1-NZ 2.94Å; D41-K81 WeakPolarHBondContact OD2-CE 3.43Å; D41-K81 IonicContact OD2-NZ 2.76Å; D41-K81 PolarHBondContact OD2-NZ 3.46Å; K81-L83 HydrophobicContact CD-CD2 4.35Å; K81-L83 HydrophobicContact CG-CD2 4.46Å; K81-L83 PolarHBondContact O-N 3.4Å; K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.24Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.01Å; K81-W129 HydrophobicContact CB-CH2 4.05Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.08Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.17Å; K81-W129 HydrophobicContact CG-CG 4.3Å; K81-W129 HydrophobicContact CG-CZ2 4.43Å; K81-R161 HydrophobicContact CB-CB 3.88Å; K81-R161 PolarHBondContact N-O 2.8Å
82	N	95.4	Very high	96.8	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.8	169.9	-178.7	10.2	0	0	0	109.6	K84 L125 D126 G128	N82-K84 VanDerWaalsContact C-N 3.32Å; N82-K84 PolarHBondContact OD1-N 2.9Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.28Å; N82-L125 PolarHBondContact ND2-O 3.15Å; N82-D126 WeakPolarHBondContact CB-O 3.23Å; N82-D126 PolarHBondContact ND2-O 2.63Å; N82-G128 PolarHBondContact N-O 2.75Å
83	L	95	Very high	96.9	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.209	13%	0.132	C	C	.	.			trans	-92.5	11.8	178	-57.6	-175.6	0	0	0	113	K81 K85 R161	K81-L83 HydrophobicContact CD-CD2 4.35Å; K81-L83 HydrophobicContact CG-CD2 4.46Å; K81-L83 PolarHBondContact O-N 3.4Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-R161 HydrophobicContact CD1-CG 4.35Å; L83-R161 HydrophobicContact CD2-CG 4.14Å
84	K	93.8	Very high	96.9	Very high	147 Å²	147	30 Å²	30	64%	0.639	14%	0.135	S	C	*	.	S	Bend	trans	56	31.5	-174.1	-58	-176.8	173.6	-169.1	0	113	N82 D127	N82-K84 VanDerWaalsContact C-N 3.32Å; N82-K84 PolarHBondContact OD1-N 2.9Å; K84-D127 WeakPolarHBondContact CE-OD1 3.48Å; K84-D127 VanDerWaalsContact CE-OD2 3.24Å; K84-D127 WeakPolarHBondContact CE-OD2 3.2Å; K84-D127 IonicContact NZ-OD1 3.92Å; K84-D127 PolarHBondContact NZ-OD1 2.95Å; K84-D127 IonicContact NZ-OD2 2.95Å; K84-D127 PolarHBondContact NZ-OD2 3.17Å
85	K	95.6	Very high	97	Very high	94 Å²	94	28.7 Å²	28.7	41%	0.409	13%	0.127	S	C	.	.	S	Bend	trans	-126.2	164	179.8	-73	-177.3	-173.3	-170.8	0	109.7	E50 L83 F87 N107 N159	E50-K85 IonicContact OE1-NZ 2.6Å; E50-K85 PolarHBondContact OE1-NZ 3.43Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-F87 PolarHBondContact O-N 2.93Å; K85-N107 PolarHBondContact O-ND2 3.09Å; K85-N159 HydrophobicContact CB-CB 3.57Å; K85-N159 HydrophobicContact CD-CB 4.24Å
86	Y	96.7	Very high	97	Very high	156 Å²	156	31 Å²	31	61%	0.612	14%	0.141	S	C	*	.			trans	-63.2	125.7	178.1	-64.1	-30.6	0	0	0	111.8	V54 N107 Y108 N159	V54-Y86 VanDerWaalsContact CG2-CB 3.48Å; V54-Y86 WeakPolarHBondContact CG2-O 2.99Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.43Å; Y86-Y108 HydrophobicContact CD1-CD1 4.2Å; Y86-Y108 HydrophobicContact CD1-CG 4.34Å; Y86-Y108 HydrophobicContact CG-CD1 4.08Å; Y86-Y108 HydrophobicContact CG-CG 4.48Å; Y86-N159 WeakPolarHBondContact O-CB 3.49Å; Y86-N159 PolarHBondContact O-ND2 2.96Å
87	F	97	Very high	96.9	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	17%	0.17	C	C	.	.			trans	-137.5	144.2	-176.6	170.1	-105.8	0	0	0	110.2	I80 K85 F89 N107 M123 L125 I132 I156 C160	I80-F87 HydrophobicContact CD1-CD1 3.95Å; I80-F87 HydrophobicContact CD1-CE1 3.36Å; I80-F87 HydrophobicContact CD1-CZ 3.73Å; K85-F87 PolarHBondContact O-N 2.93Å; F87-F89 HydrophobicContact CE1-CD1 4.02Å; F87-F89 HydrophobicContact CZ-CB 4.26Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F87-N107 PolarHBondContact N-ND2 2.79Å; F87-N107 PolarHBondContact N-OD1 3.06Å; F87-N107 PolarHBondContact O-N 2.94Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.87Å; F87-N107 VanDerWaalsContact O-OD1 3.11Å; F87-M123 HydrophobicContact CD1-CE 3.48Å; F87-M123 VanDerWaalsContact CD1-CE 3.48Å; F87-M123 HydrophobicContact CE1-CE 3.53Å; F87-L125 HydrophobicContact CD1-CD1 4Å; F87-I132 HydrophobicContact CE1-CD1 4.47Å; F87-I156 HydrophobicContact CE2-CG2 3.65Å; F87-I156 HydrophobicContact CZ-CG2 3.96Å; F87-C160 HydrophobicContact CD2-CB 3.54Å; F87-C160 HydrophobicContact CE2-CB 3.56Å; F87-C160 WeakPolarHBondContact CE2-SG 3.44Å; F87-C160 HydrophobicContact CG-CB 4.31Å; F87-C160 HydrophobicContact CZ-CB 4.34Å
88	T	97.7	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.6	174.1	-175.1	0	0	0	0	111	V54 R104 A105 S106 Y108 H157	V54-T88 HydrophobicContact CG1-CG2 3.63Å; T88-R104 WeakPolarHBondContact OG1-CG 3.45Å; T88-A105 VanDerWaalsContact CA-O 3.23Å; T88-A105 WeakPolarHBondContact CA-O 3.32Å; T88-A105 WeakPolarHBondContact CB-O 3.29Å; T88-A105 PolarHBondContact OG1-O 3.03Å; T88-S106 PolarHBondContact OG1-OG 2.82Å; T88-Y108 HydrophobicContact CG2-CE1 4.41Å; T88-H157 HydrophobicContact CG2-CB 3.62Å; T88-H157 VanDerWaalsContact CG2-CG 3.48Å; T88-H157 VanDerWaalsContact O-CB 3.23Å; T88-H157 WeakPolarHBondContact O-CB 3.44Å; T88-H157 PolarHBondContact O-N 3.11Å
89	F	98	Very high	97	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.3	167.7	71.9	-88.5	0	0	0	110	M78 F87 V91 R104 A105 M123 I132 F134 Q155 I156	M78-F89 HydrophobicContact CE-CB 4.48Å; M78-F89 HydrophobicContact CE-CD1 3.6Å; M78-F89 HydrophobicContact CE-CD2 3.53Å; M78-F89 HydrophobicContact CE-CE1 3.48Å; M78-F89 VanDerWaalsContact CE-CE1 3.48Å; M78-F89 HydrophobicContact CE-CE2 3.45Å; M78-F89 VanDerWaalsContact CE-CE2 3.45Å; M78-F89 HydrophobicContact CE-CG 3.61Å; M78-F89 HydrophobicContact CE-CZ 3.42Å; M78-F89 VanDerWaalsContact CE-CZ 3.42Å; M78-F89 HydrophobicContact SD-CD2 4.38Å; M78-F89 HydrophobicContact SD-CG 4.33Å; F87-F89 HydrophobicContact CE1-CD1 4.02Å; F87-F89 HydrophobicContact CZ-CB 4.26Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F89-V91 HydrophobicContact CD2-CG2 3.99Å; F89-V91 HydrophobicContact CE2-CG2 3.97Å; F89-R104 WeakPolarHBondContact O-CA 3.45Å; F89-A105 HydrophobicContact CD1-CB 4.12Å; F89-A105 HydrophobicContact CE1-CB 3.49Å; F89-A105 VanDerWaalsContact CE1-CB 3.49Å; F89-A105 HydrophobicContact CE2-CB 4.37Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 2.9Å; F89-A105 VanDerWaalsContact N-O 3.09Å; F89-A105 PolarHBondContact O-N 2.94Å; F89-M123 HydrophobicContact CD1-CE 4.35Å; F89-M123 HydrophobicContact CD1-SD 4.45Å; F89-M123 HydrophobicContact CE1-CE 4.22Å; F89-M123 HydrophobicContact CE1-SD 3.74Å; F89-I132 HydrophobicContact CE1-CD1 4.32Å; F89-I132 HydrophobicContact CE1-CG2 4.42Å; F89-I132 HydrophobicContact CZ-CG2 4.4Å; F89-F134 HydrophobicContact CE2-CD2 4.3Å; F89-F134 HydrophobicContact CE2-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CG 4.5Å; F89-F134 AromaticContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CE2 4.09Å; F89-F134 HydrophobicContact CZ-CG 4.38Å; F89-Q155 CarbonylContact C-O 3.52Å; F89-Q155 VanDerWaalsContact CA-O 3.32Å; F89-Q155 WeakPolarHBondContact CA-O 2.99Å; F89-I156 HydrophobicContact CB-CG1 4.35Å
90	E	98	Very high	97	Very high	10 Å²	10	53 Å²	53	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.5	-179.3	-60.5	-169.4	-105.7	0	0	111.6	R102 F103 R104 V154 Q155 H157	E90-R102 HydrophobicContact CB-CG 4.38Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.3Å; E90-R102 IonicContact OE2-NE 3.44Å; E90-R102 PolarHBondContact OE2-NE 2.88Å; E90-F103 CarbonylContact C-O 3.53Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.38Å; E90-R104 VanDerWaalsContact CD-CZ 3.48Å; E90-R104 HydrophobicContact CG-CB 3.9Å; E90-R104 HydrophobicContact CG-CG 3.77Å; E90-R104 IonicContact OE1-CZ 2.75Å; E90-R104 VanDerWaalsContact OE1-CZ 3.3Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.94Å; E90-R104 IonicContact OE1-NH2 3.73Å; E90-R104 PolarHBondContact OE1-NH2 3.13Å; E90-R104 IonicContact OE2-CZ 3.15Å; E90-R104 IonicContact OE2-NE 2.63Å; E90-R104 PolarHBondContact OE2-NE 2.97Å; E90-R104 IonicContact OE2-NH2 2.63Å; E90-R104 PolarHBondContact OE2-NH2 3.11Å; E90-R104 VanDerWaalsContact OE2-NH2 3.15Å; E90-V154 CarbonylContact O-C 3.55Å; E90-V154 WeakPolarHBondContact O-CA 3.33Å; E90-Q155 HydrophobicContact CB-CB 4.35Å; E90-Q155 PolarHBondContact N-O 3.45Å; E90-Q155 PolarHBondContact O-N 3.31Å; E90-H157 IonicContact OE1-NE2 3.46Å; E90-H157 PolarHBondContact OE1-NE2 2.84Å
91	V	98.3	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.5	174.1	-170.3	0	0	0	0	108.7	L76 F89 V93 R102 F103 L136 T151 R153 V154	L76-V91 HydrophobicContact CD2-CG2 3.42Å; L76-V91 VanDerWaalsContact CD2-CG2 3.42Å; F89-V91 HydrophobicContact CD2-CG2 3.99Å; F89-V91 HydrophobicContact CE2-CG2 3.97Å; V91-V93 HydrophobicContact CG1-CG1 4.14Å; V91-R102 CarbonylContact O-C 3.44Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; V91-F103 PolarHBondContact N-O 2.78Å; V91-F103 PolarHBondContact O-N 3.4Å; V91-L136 HydrophobicContact CB-CD2 4.16Å; V91-L136 HydrophobicContact CG1-CD2 3.73Å; V91-T151 HydrophobicContact CG1-CG2 3.56Å; V91-R153 WeakPolarHBondContact CA-O 3.17Å; V91-V154 HydrophobicContact CG1-CG2 4.28Å
92	Q	98.3	Very high	97.2	Very high	50 Å²	50	58.5 Å²	58.5	23%	0.234	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.7	171.8	-169.5	178.3	33.7	0	0	109.4	R101 L152 R153	Q92-R101 CarbonylContact C-O 3.45Å; Q92-R101 WeakPolarHBondContact CA-O 3.23Å; Q92-L152 HydrophobicContact CB-CB 4.35Å; Q92-L152 HydrophobicContact CG-CB 4.27Å; Q92-L152 HydrophobicContact CG-CD1 4.22Å; Q92-L152 PolarHBondContact O-N 2.83Å; Q92-R153 HydrophobicContact CB-CB 4.01Å; Q92-R153 PolarHBondContact N-O 3.01Å; Q92-R153 PolarHBondContact O-N 2.87Å
93	V	98.3	Very high	97.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.5	179.3	-56.5	0	0	0	0	111	V91 R100 R101 F103 L136 Y148 E150	V91-V93 HydrophobicContact CG1-CG1 4.14Å; V93-R100 WeakPolarHBondContact O-CA 3.45Å; V93-R101 HydrophobicContact CG2-CB 3.91Å; V93-R101 PolarHBondContact N-O 3.22Å; V93-R101 PolarHBondContact O-N 3.18Å; V93-F103 HydrophobicContact CG1-CD2 4.36Å; V93-F103 HydrophobicContact CG2-CD2 4.12Å; V93-F103 HydrophobicContact CG2-CE2 3.74Å; V93-L136 HydrophobicContact CG1-CD2 3.89Å; V93-Y148 HydrophobicContact CB-CD2 4.01Å; V93-Y148 HydrophobicContact CB-CE2 4.11Å; V93-Y148 HydrophobicContact CG1-CD2 4Å; V93-Y148 HydrophobicContact CG1-CE2 3.82Å; V93-E150 CarbonylContact C-O 3.49Å; V93-E150 WeakPolarHBondContact CA-O 3.16Å
94	L	98.2	Very high	97.4	Very high	23 Å²	23	58.7 Å²	58.7	12%	0.12	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.2	166.8	-171.7	65.6	0	0	0	108.9	R100 I149 E150 L152	L94-R100 HydrophobicContact CD1-CG 4.28Å; L94-I149 HydrophobicContact CD2-CG2 4.39Å; L94-I149 WeakPolarHBondContact O-CB 3.31Å; L94-I149 PolarHBondContact O-N 2.77Å; L94-E150 HydrophobicContact CB-CG 3.98Å; L94-E150 HydrophobicContact CD2-CG 4.17Å; L94-E150 PolarHBondContact N-O 2.82Å; L94-L152 HydrophobicContact CB-CD1 4.2Å; L94-L152 HydrophobicContact CB-CD2 4.18Å; L94-L152 HydrophobicContact CB-CG 4.23Å
95	D	97.5	Very high	97.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	169.4	172.7	70.7	20.5	0	0	0	112.7	K97 N98 V99 R101 T140 T146 N147 I149	D95-K97 PolarHBondContact O-N 3.01Å; D95-K97 WeakPolarHBondContact OD1-CA 3.09Å; D95-K97 WeakPolarHBondContact OD1-CB 3.35Å; D95-K97 PolarHBondContact OD1-N 3.03Å; D95-K97 VanDerWaalsContact OD1-N 3.09Å; D95-N98 WeakPolarHBondContact O-CA 3.38Å; D95-N98 PolarHBondContact O-N 2.93Å; D95-N98 PolarHBondContact OD1-N 2.9Å; D95-V99 PolarHBondContact N-O 2.97Å; D95-V99 VanDerWaalsContact N-O 3.09Å; D95-V99 WeakPolarHBondContact OD1-CA 3.48Å; D95-V99 WeakPolarHBondContact OD1-CB 3.44Å; D95-V99 PolarHBondContact OD1-N 2.79Å; D95-R101 IonicContact OD2-CZ 3.81Å; D95-R101 IonicContact OD2-NE 3.75Å; D95-R101 PolarHBondContact OD2-NE 2.78Å; D95-R101 IonicContact OD2-NH2 3.65Å; D95-R101 PolarHBondContact OD2-NH2 3.12Å; D95-R101 VanDerWaalsContact OD2-NH2 3.16Å; D95-T140 HydrophobicContact CB-CG2 4.13Å; D95-T146 WeakPolarHBondContact CB-OG1 2.83Å; D95-T146 PolarHBondContact OD2-OG1 2.97Å; D95-N147 CarbonylContact C-O 3.52Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.33Å; D95-I149 VanDerWaalsContact C-CG1 3.5Å
96	D	97.5	Very high	97.7	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.5	178.6	61.1	-8.2	0	0	0	114.5	N98 T146 N147 I149	D96-N98 VanDerWaalsContact C-N 3.29Å; D96-T146 WeakPolarHBondContact OD1-CB 2.75Å; D96-N147 HydrophobicContact CB-CB 4.17Å; D96-N147 PolarHBondContact N-O 3.06Å; D96-N147 PolarHBondContact OD1-N 2.77Å; D96-N147 WeakPolarHBondContact OD2-CB 3.44Å; D96-N147 PolarHBondContact OD2-N 3.02Å; D96-N147 PolarHBondContact OD2-ND2 2.82Å; D96-I149 HydrophobicContact CB-CD1 4.02Å; D96-I149 HydrophobicContact CB-CG1 4.25Å
97	K	96.8	Very high	97.6	Very high	144 Å²	144	42.1 Å²	42.1	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11.8	170	-63.1	-174.8	180	174.4	0	112.6	D95 V99 T146	D95-K97 PolarHBondContact O-N 3.01Å; D95-K97 WeakPolarHBondContact OD1-CA 3.09Å; D95-K97 WeakPolarHBondContact OD1-CB 3.35Å; D95-K97 PolarHBondContact OD1-N 3.03Å; D95-K97 VanDerWaalsContact OD1-N 3.09Å; K97-V99 HydrophobicContact CB-CG2 4.09Å; K97-V99 PolarHBondContact O-N 2.95Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 4Å
98	N	97	Very high	97.5	Very high	129 Å²	129	46.8 Å²	46.8	69%	0.69	21%	0.21	S	C	*	.	S	Bend	trans	59.1	27.5	-177.3	-162.7	33.1	0	0	0	113.1	D95 D96	D95-N98 WeakPolarHBondContact O-CA 3.38Å; D95-N98 PolarHBondContact O-N 2.93Å; D95-N98 PolarHBondContact OD1-N 2.9Å; D96-N98 VanDerWaalsContact C-N 3.29Å
99	V	97.4	Very high	97.2	Very high	40 Å²	40	48.7 Å²	48.7	24%	0.242	22%	0.218	C	C	.	.			trans	-99.5	134.1	177.4	-169.9	0	0	0	0	110.1	D95 K97 F117	D95-V99 PolarHBondContact N-O 2.97Å; D95-V99 VanDerWaalsContact N-O 3.09Å; D95-V99 WeakPolarHBondContact OD1-CA 3.48Å; D95-V99 WeakPolarHBondContact OD1-CB 3.44Å; D95-V99 PolarHBondContact OD1-N 2.79Å; K97-V99 HydrophobicContact CB-CG2 4.09Å; K97-V99 PolarHBondContact O-N 2.95Å; V99-F117 HydrophobicContact CG1-CD1 4.24Å; V99-F117 HydrophobicContact CG1-CE1 4.08Å
100	R	97.8	Very high	97.1	Very high	153 Å²	153	53.7 Å²	53.7	58%	0.577	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.2	175.9	-57.6	-176.8	-175	174.7	1.4	109.7	V93 L94 L152	V93-R100 WeakPolarHBondContact O-CA 3.45Å; L94-R100 HydrophobicContact CD1-CG 4.28Å; R100-L152 HydrophobicContact CB-CD1 4.42Å; R100-L152 HydrophobicContact CG-CD1 3.79Å
101	R	97.8	Very high	96.9	Very high	32 Å²	32	56.5 Å²	56.5	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.8	177	-49.5	-65	-179.3	177.3	0.5	110	Q92 V93 D95 P116 Y144	Q92-R101 CarbonylContact C-O 3.45Å; Q92-R101 WeakPolarHBondContact CA-O 3.23Å; V93-R101 HydrophobicContact CG2-CB 3.91Å; V93-R101 PolarHBondContact N-O 3.22Å; V93-R101 PolarHBondContact O-N 3.18Å; D95-R101 IonicContact OD2-CZ 3.81Å; D95-R101 IonicContact OD2-NE 3.75Å; D95-R101 PolarHBondContact OD2-NE 2.78Å; D95-R101 IonicContact OD2-NH2 3.65Å; D95-R101 PolarHBondContact OD2-NH2 3.12Å; D95-R101 VanDerWaalsContact OD2-NH2 3.16Å; R101-P116 WeakPolarHBondContact CD-O 3.48Å; R101-P116 PolarHBondContact NH1-O 3.39Å; R101-Y144 HydrophobicContact CB-CD2 4.23Å; R101-Y144 HydrophobicContact CB-CE2 3.6Å; R101-Y144 HydrophobicContact CG-CD2 3.81Å; R101-Y144 HydrophobicContact CG-CE2 3.66Å; R101-Y144 HydrophobicContact CG-CG 4.35Å
102	R	98.3	Very high	96.8	Very high	105 Å²	105	60.7 Å²	60.7	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	175.1	-167.7	162.9	70.1	-133.5	-3.7	110.6	E90 V91 F117 I118 C119	E90-R102 HydrophobicContact CB-CG 4.38Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.3Å; E90-R102 IonicContact OE2-NE 3.44Å; E90-R102 PolarHBondContact OE2-NE 2.88Å; V91-R102 CarbonylContact O-C 3.44Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; R102-F117 PolarHBondContact N-O 2.94Å; R102-I118 HydrophobicContact CB-CB 4.49Å; R102-I118 HydrophobicContact CB-CG1 4.3Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.25Å; R102-I118 WeakPolarHBondContact O-CA 3.38Å; R102-C119 PolarHBondContact O-N 2.85Å
103	F	98.4	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.3	168.2	-68.9	-77.1	0	0	0	108.6	E90 V91 V93 C119 M121 F134 F139 A143 Y144	E90-F103 CarbonylContact C-O 3.53Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.38Å; V91-F103 PolarHBondContact N-O 2.78Å; V91-F103 PolarHBondContact O-N 3.4Å; V93-F103 HydrophobicContact CG1-CD2 4.36Å; V93-F103 HydrophobicContact CG2-CD2 4.12Å; V93-F103 HydrophobicContact CG2-CE2 3.74Å; F103-C119 CarbonylContact C-O 3.58Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.58Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; F103-M121 HydrophobicContact CB-CE 4.24Å; F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.33Å; F103-M121 HydrophobicContact CG-CE 4.29Å; F103-F134 HydrophobicContact CB-CE1 4.04Å; F103-F134 HydrophobicContact CB-CZ 3.99Å; F103-F134 HydrophobicContact CG-CE1 4.3Å; F103-F134 HydrophobicContact CG-CZ 4.42Å; F103-F139 HydrophobicContact CD1-CB 4.34Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CE2-CB 4.49Å; F103-F139 HydrophobicContact CZ-CB 3.98Å; F103-A143 HydrophobicContact CE1-CB 3.92Å; F103-A143 HydrophobicContact CZ-CB 4.22Å; F103-Y144 HydrophobicContact CE1-CE2 4.05Å; F103-Y144 HydrophobicContact CE2-CE2 4.27Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.59Å; F103-Y144 HydrophobicContact CZ-CE2 3.59Å
104	R	98	Very high	96.7	Very high	68 Å²	68	69.7 Å²	69.7	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.8	173.9	179.8	-178.9	-72.8	-158	-5.9	108.9	T88 F89 E90 C119 T120 M121	T88-R104 WeakPolarHBondContact OG1-CG 3.45Å; F89-R104 WeakPolarHBondContact O-CA 3.45Å; E90-R104 VanDerWaalsContact CD-CZ 3.48Å; E90-R104 HydrophobicContact CG-CB 3.9Å; E90-R104 HydrophobicContact CG-CG 3.77Å; E90-R104 IonicContact OE1-CZ 2.75Å; E90-R104 VanDerWaalsContact OE1-CZ 3.3Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.94Å; E90-R104 IonicContact OE1-NH2 3.73Å; E90-R104 PolarHBondContact OE1-NH2 3.13Å; E90-R104 IonicContact OE2-CZ 3.15Å; E90-R104 IonicContact OE2-NE 2.63Å; E90-R104 PolarHBondContact OE2-NE 2.97Å; E90-R104 IonicContact OE2-NH2 2.63Å; E90-R104 PolarHBondContact OE2-NH2 3.11Å; E90-R104 VanDerWaalsContact OE2-NH2 3.15Å; R104-C119 PolarHBondContact N-O 2.84Å; R104-T120 HydrophobicContact CB-CG2 4.33Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.31Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; R104-M121 PolarHBondContact O-N 2.68Å
105	A	97.6	Very high	96.6	Very high	3 Å²	3	74.8 Å²	74.8	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.8	172.9	0	0	0	0	0	109.3	T88 F89 M121 M123 F134	T88-A105 VanDerWaalsContact CA-O 3.23Å; T88-A105 WeakPolarHBondContact CA-O 3.32Å; T88-A105 WeakPolarHBondContact CB-O 3.29Å; T88-A105 PolarHBondContact OG1-O 3.03Å; F89-A105 HydrophobicContact CD1-CB 4.12Å; F89-A105 HydrophobicContact CE1-CB 3.49Å; F89-A105 VanDerWaalsContact CE1-CB 3.49Å; F89-A105 HydrophobicContact CE2-CB 4.37Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 2.9Å; F89-A105 VanDerWaalsContact N-O 3.09Å; F89-A105 PolarHBondContact O-N 2.94Å; A105-M121 WeakPolarHBondContact CA-O 3.31Å; A105-M121 HydrophobicContact CB-CG 3.83Å; A105-M121 HydrophobicContact CB-SD 4.49Å; A105-M123 HydrophobicContact CB-CB 4.31Å; A105-F134 HydrophobicContact CB-CE2 4.44Å
106	S	96.9	Very high	96.5	Very high	1 Å²	1	78.9 Å²	78.9	1%	0.007	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.9	-174.6	-40.9	0	0	0	0	111	T88 Y108 M121 P122 M123	T88-S106 PolarHBondContact OG1-OG 2.82Å; S106-Y108 VanDerWaalsContact C-N 3.33Å; S106-M121 PolarHBondContact N-O 3.4Å; S106-P122 CarbonylContact O-C 3.56Å; S106-M123 PolarHBondContact O-N 3.07Å
107	N	95.7	Very high	96.5	Very high	45 Å²	45	82 Å²	82	24%	0.241	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	177.3	72.3	-11.3	0	0	0	114.8	K85 Y86 F87 M123	K85-N107 PolarHBondContact O-ND2 3.09Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.43Å; F87-N107 PolarHBondContact N-ND2 2.79Å; F87-N107 PolarHBondContact N-OD1 3.06Å; F87-N107 PolarHBondContact O-N 2.94Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.87Å; F87-N107 VanDerWaalsContact O-OD1 3.11Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å
108	Y	94	Very high	96.5	Very high	101 Å²	101	76.6 Å²	76.6	40%	0.396	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.9	175.2	53.7	-97.8	0	0	0	112.9	V54 Y86 T88 S106	V54-Y108 HydrophobicContact CG1-CE1 4.46Å; Y86-Y108 HydrophobicContact CD1-CD1 4.2Å; Y86-Y108 HydrophobicContact CD1-CG 4.34Å; Y86-Y108 HydrophobicContact CG-CD1 4.08Å; Y86-Y108 HydrophobicContact CG-CG 4.48Å; T88-Y108 HydrophobicContact CG2-CE1 4.41Å; S106-Y108 VanDerWaalsContact C-N 3.33Å
109	Q	92.5	Very high	96.5	Very high	40 Å²	40	70.7 Å²	70.7	19%	0.187	34%	0.342	C	S	.	.			trans	-97	140.9	176.3	179.6	157.5	4.8	0	0	109.7	T111 T120 P122	Q109-T111 WeakPolarHBondContact CG-O 3.4Å; Q109-T111 PolarHBondContact NE2-O 2.8Å; Q109-T120 VanDerWaalsContact NE2-CB 3.29Å; Q109-T120 PolarHBondContact NE2-O 2.9Å; Q109-T120 PolarHBondContact NE2-OG1 2.78Å; Q109-P122 WeakPolarHBondContact O-CB 3.37Å
110	S	94	Very high	96.5	Very high	106 Å²	106	70 Å²	70	74%	0.741	34%	0.338	S	S	*	.			trans	-104.9	-29.7	-179.6	54.3	0	0	0	0	113.8
111	T	95.4	Very high	96.5	Very high	70 Å²	70	63.4 Å²	63.4	43%	0.429	31%	0.314	S	S	.	.	S	Bend	trans	-124.5	142.5	-174	57.5	0	0	0	0	112.1	Q109	Q109-T111 WeakPolarHBondContact CG-O 3.4Å; Q109-T111 PolarHBondContact NE2-O 2.8Å
112	T	95.9	Very high	96.4	Very high	87 Å²	87	64.4 Å²	64.4	53%	0.534	33%	0.325	S	S	.	.			trans	-74.1	133.6	169.9	-58.4	0	0	0	0	109.6	T120 M121 P122	T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.29Å; T112-T120 WeakPolarHBondContact CA-O 3.31Å; T112-M121 HydrophobicContact CG2-CB 4.35Å; T112-P122 VanDerWaalsContact OG1-CD 3.31Å; T112-P122 WeakPolarHBondContact OG1-CD 3.11Å
113	R	96.6	Very high	96.3	Very high	158 Å²	158	60.6 Å²	60.6	60%	0.596	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.8	174.6	-58.1	-177.1	-177.1	-125.8	6.8	109.5	C119 T120	R113-C119 WeakPolarHBondContact O-CA 3.34Å; R113-T120 PolarHBondContact N-O 2.95Å; R113-T120 PolarHBondContact O-N 2.86Å; R113-T120 PolarHBondContact O-OG1 2.9Å
114	V	96.9	Very high	96	Very high	81 Å²	81	72 Å²	72	49%	0.491	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.5	177.5	-175.5	0	0	0	0	108.4	A143 Y144	V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.49Å; V114-A143 HydrophobicContact CG2-CB 4.43Å; V114-Y144 HydrophobicContact CG1-CD1 4.46Å; V114-Y144 HydrophobicContact CG1-CE1 4.03Å
115	K	96.6	Very high	95.7	Very high	130 Å²	130	70 Å²	70	57%	0.565	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	162.6	170.6	-64.3	-173.7	176.4	-174.1	0	108.5	F117 I118 Y144	K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 2.83Å; K115-F117 VanDerWaalsContact O-N 3.1Å; K115-I118 WeakPolarHBondContact CA-O 3.23Å; K115-I118 HydrophobicContact CB-CG2 3.92Å; K115-I118 WeakPolarHBondContact CB-O 3.44Å; K115-I118 HydrophobicContact CD-CG2 4.15Å; K115-I118 HydrophobicContact CG-CG2 4.45Å; K115-I118 PolarHBondContact N-O 2.83Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-I118 VanDerWaalsContact O-O 3.11Å; K115-Y144 WeakPolarHBondContact O-CE1 3.49Å
116	P	95.2	Very high	95.5	Very high	89 Å²	89	75.9 Å²	75.9	58%	0.578	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-46.5	-176.5	-31.6	36.4	0	0	0	114.2	R101 Y144	R101-P116 WeakPolarHBondContact CD-O 3.48Å; R101-P116 PolarHBondContact NH1-O 3.39Å; P116-Y144 WeakPolarHBondContact O-CE1 3.45Å
117	F	96.8	Very high	95.3	Very high	139 Å²	139	81.2 Å²	81.2	61%	0.61	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-5.3	-176.1	-54.1	-66.8	0	0	0	114.6	V99 R102 K115	V99-F117 HydrophobicContact CG1-CD1 4.24Å; V99-F117 HydrophobicContact CG1-CE1 4.08Å; R102-F117 PolarHBondContact N-O 2.94Å; K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 2.83Å; K115-F117 VanDerWaalsContact O-N 3.1Å
118	I	97.6	Very high	95.2	Very high	32 Å²	32	80.1 Å²	80.1	16%	0.164	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	130.3	-176.4	-171.9	174.7	0	0	0	111.6	R102 K115 T120 Y144	R102-I118 HydrophobicContact CB-CB 4.49Å; R102-I118 HydrophobicContact CB-CG1 4.3Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.25Å; R102-I118 WeakPolarHBondContact O-CA 3.38Å; K115-I118 WeakPolarHBondContact CA-O 3.23Å; K115-I118 HydrophobicContact CB-CG2 3.92Å; K115-I118 WeakPolarHBondContact CB-O 3.44Å; K115-I118 HydrophobicContact CD-CG2 4.15Å; K115-I118 HydrophobicContact CG-CG2 4.45Å; K115-I118 PolarHBondContact N-O 2.83Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-I118 VanDerWaalsContact O-O 3.11Å; I118-T120 HydrophobicContact CD1-CG2 3.74Å; I118-T120 HydrophobicContact CG1-CG2 3.88Å; I118-Y144 VanDerWaalsContact C-OH 3.28Å
119	C	97.8	Very high	95.3	Very high	4 Å²	4	76.7 Å²	76.7	3%	0.027	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.4	166.5	176.9	0	0	0	0	108.1	R102 F103 R104 R113 A143 Y144	R102-C119 PolarHBondContact O-N 2.85Å; F103-C119 CarbonylContact C-O 3.58Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.58Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; R104-C119 PolarHBondContact N-O 2.84Å; R113-C119 WeakPolarHBondContact O-CA 3.34Å; C119-A143 HydrophobicContact CB-CB 4.36Å; C119-Y144 PolarHBondContact N-OH 2.92Å; C119-Y144 VanDerWaalsContact N-OH 3.16Å
120	T	97.8	Very high	95.3	Very high	25 Å²	25	75.6 Å²	75.6	15%	0.153	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.7	177.8	60.3	0	0	0	0	108.6	R104 Q109 T112 R113 I118	R104-T120 HydrophobicContact CB-CG2 4.33Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.31Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; Q109-T120 VanDerWaalsContact NE2-CB 3.29Å; Q109-T120 PolarHBondContact NE2-O 2.9Å; Q109-T120 PolarHBondContact NE2-OG1 2.78Å; T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.29Å; T112-T120 WeakPolarHBondContact CA-O 3.31Å; R113-T120 PolarHBondContact N-O 2.95Å; R113-T120 PolarHBondContact O-N 2.86Å; R113-T120 PolarHBondContact O-OG1 2.9Å; I118-T120 HydrophobicContact CD1-CG2 3.74Å; I118-T120 HydrophobicContact CG1-CG2 3.88Å
121	M	96.9	Very high	95.3	Very high	15 Å²	15	73.1 Å²	73.1	7%	0.074	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.7	-175	64.5	-170.7	78.4	0	0	112.2	F103 R104 A105 S106 T112 F134 F139	F103-M121 HydrophobicContact CB-CE 4.24Å; F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.33Å; F103-M121 HydrophobicContact CG-CE 4.29Å; R104-M121 PolarHBondContact O-N 2.68Å; A105-M121 WeakPolarHBondContact CA-O 3.31Å; A105-M121 HydrophobicContact CB-CG 3.83Å; A105-M121 HydrophobicContact CB-SD 4.49Å; S106-M121 PolarHBondContact N-O 3.4Å; T112-M121 HydrophobicContact CG2-CB 4.35Å; M121-F134 HydrophobicContact CE-CE2 4.12Å; M121-F134 HydrophobicContact CE-CZ 3.59Å; M121-F134 HydrophobicContact SD-CE2 3.48Å; M121-F134 WeakPolarHBondContact SD-CE2 3.38Å; M121-F134 HydrophobicContact SD-CZ 3.61Å; M121-F139 HydrophobicContact CE-CD1 4.19Å; M121-F139 HydrophobicContact CE-CE1 4.34Å; M121-F139 HydrophobicContact CE-CG 4.47Å; M121-F139 HydrophobicContact SD-CD1 4.4Å; M121-F139 HydrophobicContact SD-CE1 3.96Å; M121-F139 HydrophobicContact SD-CZ 4.04Å
122	P	96.5	Very high	95.3	Very high	53 Å²	53	70.7 Å²	70.7	34%	0.344	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.7	171.7	32.7	-36.6	0	0	0	110.1	S106 Q109 T112	S106-P122 CarbonylContact O-C 3.56Å; Q109-P122 WeakPolarHBondContact O-CB 3.37Å; T112-P122 VanDerWaalsContact OG1-CD 3.31Å; T112-P122 WeakPolarHBondContact OG1-CD 3.11Å
123	M	94.5	Very high	95.2	Very high	25 Å²	25	70.7 Å²	70.7	12%	0.123	34%	0.344	C	S	.	.			trans	-130.8	134.8	169.2	-179.8	174.7	65.3	0	0	109.3	F87 F89 A105 S106 N107 L125 I132	F87-M123 HydrophobicContact CD1-CE 3.48Å; F87-M123 VanDerWaalsContact CD1-CE 3.48Å; F87-M123 HydrophobicContact CE1-CE 3.53Å; F89-M123 HydrophobicContact CD1-CE 4.35Å; F89-M123 HydrophobicContact CD1-SD 4.45Å; F89-M123 HydrophobicContact CE1-CE 4.22Å; F89-M123 HydrophobicContact CE1-SD 3.74Å; A105-M123 HydrophobicContact CB-CB 4.31Å; S106-M123 PolarHBondContact O-N 3.07Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å; M123-L125 HydrophobicContact CE-CD1 3.86Å; M123-L125 HydrophobicContact CE-CD2 3.9Å; M123-L125 HydrophobicContact CE-CG 3.92Å; M123-L125 HydrophobicContact CG-CD2 4.17Å; M123-L125 HydrophobicContact CG-CG 4.36Å; M123-L125 HydrophobicContact SD-CD2 3.9Å; M123-L125 HydrophobicContact SD-CG 4.42Å; M123-I132 HydrophobicContact CE-CD1 4.08Å; M123-I132 HydrophobicContact SD-CD1 3.5Å; M123-I132 VanDerWaalsContact SD-CD1 3.5Å; M123-I132 HydrophobicContact SD-CG1 4.03Å; M123-I132 HydrophobicContact SD-CG2 4.34Å
124	R	92.4	Very high	95.2	Very high	241 Å²	241	63.5 Å²	63.5	91%	0.909	32%	0.317	S	S	*	.			trans	-102.1	137.9	168.7	-65.1	-176.4	-179.7	177.3	-0.4	108.1
125	L	92.8	Very high	95.2	Very high	25 Å²	25	61.6 Å²	61.6	13%	0.131	31%	0.305	C	S	.	.			trans	-123.9	134.3	174.7	-64.5	175.3	0	0	0	107.3	I80 N82 F87 M123 N130 I132	I80-L125 HydrophobicContact CD1-CD1 4.05Å; I80-L125 HydrophobicContact CD1-CD2 4.2Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.28Å; N82-L125 PolarHBondContact ND2-O 3.15Å; F87-L125 HydrophobicContact CD1-CD1 4Å; M123-L125 HydrophobicContact CE-CD1 3.86Å; M123-L125 HydrophobicContact CE-CD2 3.9Å; M123-L125 HydrophobicContact CE-CG 3.92Å; M123-L125 HydrophobicContact CG-CD2 4.17Å; M123-L125 HydrophobicContact CG-CG 4.36Å; M123-L125 HydrophobicContact SD-CD2 3.9Å; M123-L125 HydrophobicContact SD-CG 4.42Å; L125-N130 HydrophobicContact CD2-CB 4.23Å; L125-I132 HydrophobicContact CD2-CD1 3.89Å; L125-I132 HydrophobicContact CD2-CG1 3.93Å
126	D	93.4	Very high	95.2	Very high	126 Å²	126	55.4 Å²	55.4	67%	0.674	28%	0.278	S	S	*	.			trans	-73.1	169.2	172.2	-60.8	-42.2	0	0	0	110.2	N82 N130	N82-D126 WeakPolarHBondContact CB-O 3.23Å; N82-D126 PolarHBondContact ND2-O 2.63Å; D126-N130 WeakPolarHBondContact CB-OD1 3.37Å; D126-N130 PolarHBondContact N-OD1 2.83Å; D126-N130 PolarHBondContact O-ND2 3.36Å
127	D	92.2	Very high	95.3	Very high	114 Å²	114	53 Å²	53	61%	0.61	26%	0.263	S	S	*	.	S	Bend	trans	-68.6	135.1	175.7	-82.4	0.1	0	0	0	110.8	K84	K84-D127 WeakPolarHBondContact CE-OD1 3.48Å; K84-D127 VanDerWaalsContact CE-OD2 3.24Å; K84-D127 WeakPolarHBondContact CE-OD2 3.2Å; K84-D127 IonicContact NZ-OD1 3.92Å; K84-D127 PolarHBondContact NZ-OD1 2.95Å; K84-D127 IonicContact NZ-OD2 2.95Å; K84-D127 PolarHBondContact NZ-OD2 3.17Å
128	G	93.8	Very high	95.3	Very high	22 Å²	22	47.7 Å²	47.7	23%	0.227	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-138.1	178.9	0	0	0	0	0	113.6	K81 N82 N130	K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.24Å; N82-G128 PolarHBondContact N-O 2.75Å; G128-N130 PolarHBondContact O-ND2 3.35Å
129	W	95.2	Very high	95.3	Very high	29 Å²	29	48.4 Å²	48.4	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.4	-174.3	-76.4	97.8	0	0	0	112.2	D39 I42 V46 I79 I80 K81 R161 R163 L183	D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 3.22Å; D39-W129 VanDerWaalsContact OD1-NE1 3.12Å; I42-W129 HydrophobicContact CD1-CH2 4.12Å; I42-W129 HydrophobicContact CD1-CZ2 3.66Å; I42-W129 HydrophobicContact CG1-CZ2 4.03Å; I42-W129 HydrophobicContact CG2-CD2 4.39Å; I42-W129 HydrophobicContact CG2-CG 4.28Å; V46-W129 HydrophobicContact CB-CH2 4.12Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.65Å; I79-W129 HydrophobicContact CG2-CE3 3.9Å; I79-W129 HydrophobicContact CG2-CZ3 4.12Å; I80-W129 VanDerWaalsContact C-CE3 3.47Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.01Å; K81-W129 HydrophobicContact CB-CH2 4.05Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.08Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.17Å; K81-W129 HydrophobicContact CG-CG 4.3Å; K81-W129 HydrophobicContact CG-CZ2 4.43Å; W129-R161 HydrophobicContact CH2-CB 4.21Å; W129-R163 HydrophobicContact CH2-CB 3.93Å; W129-R163 HydrophobicContact CZ3-CB 3.65Å; W129-L183 HydrophobicContact CB-CD2 3.46Å; W129-L183 VanDerWaalsContact CB-CD2 3.46Å; W129-L183 HydrophobicContact CD2-CD1 4.43Å; W129-L183 HydrophobicContact CE3-CD1 4.5Å; W129-L183 HydrophobicContact CG-CD2 4.1Å
130	N	93.8	Very high	95.3	Very high	16 Å²	16	48.2 Å²	48.2	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.3	-176.2	-71.1	-104.5	0	0	0	110	I79 I80 L125 D126 G128	I79-N130 WeakPolarHBondContact CA-O 3.37Å; I80-N130 HydrophobicContact CG1-CB 4.49Å; I80-N130 PolarHBondContact N-O 2.81Å; I80-N130 PolarHBondContact O-N 3.11Å; L125-N130 HydrophobicContact CD2-CB 4.23Å; D126-N130 WeakPolarHBondContact CB-OD1 3.37Å; D126-N130 PolarHBondContact N-OD1 2.83Å; D126-N130 PolarHBondContact O-ND2 3.36Å; G128-N130 PolarHBondContact O-ND2 3.35Å
131	Q	93.5	Very high	95.3	Very high	54 Å²	54	53.7 Å²	53.7	25%	0.252	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	102.6	167.3	-177.4	177.3	-24.7	0	0	109.3	V77 M78 Q133 E174	V77-Q131 HydrophobicContact CG1-CG 3.61Å; M78-Q131 WeakPolarHBondContact O-CA 2.99Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q131-E174 PolarHBondContact OE1-OE1 3.31Å
132	I	94.2	Very high	95.3	Very high	20 Å²	20	60.8 Å²	60.8	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.2	174.9	-58.1	162.3	0	0	0	107.9	V77 M78 I80 F87 F89 M123 L125	V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; M78-I132 HydrophobicContact CB-CB 4.49Å; M78-I132 HydrophobicContact CE-CB 4.48Å; M78-I132 HydrophobicContact CE-CD1 4.25Å; M78-I132 HydrophobicContact CE-CG2 4.33Å; M78-I132 PolarHBondContact N-O 3.14Å; M78-I132 PolarHBondContact O-N 3.07Å; I80-I132 HydrophobicContact CD1-CD1 3.34Å; I80-I132 HydrophobicContact CD1-CG1 4.39Å; I80-I132 HydrophobicContact CG1-CD1 3.77Å; I80-I132 HydrophobicContact CG1-CG1 4.4Å; F87-I132 HydrophobicContact CE1-CD1 4.47Å; F89-I132 HydrophobicContact CE1-CD1 4.32Å; F89-I132 HydrophobicContact CE1-CG2 4.42Å; F89-I132 HydrophobicContact CZ-CG2 4.4Å; M123-I132 HydrophobicContact CE-CD1 4.08Å; M123-I132 HydrophobicContact SD-CD1 3.5Å; M123-I132 VanDerWaalsContact SD-CD1 3.5Å; M123-I132 HydrophobicContact SD-CG1 4.03Å; M123-I132 HydrophobicContact SD-CG2 4.34Å; L125-I132 HydrophobicContact CD2-CD1 3.89Å; L125-I132 HydrophobicContact CD2-CG1 3.93Å
133	Q	95	Very high	95.3	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.402	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.9	172.4	-59.7	175.2	3.7	0	0	108.9	V77 Q131 L171	V77-Q133 HydrophobicContact CG1-CG 4.24Å; V77-Q133 HydrophobicContact CG2-CG 4.25Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q133-L171 HydrophobicContact CB-CD2 4.03Å; Q133-L171 HydrophobicContact CG-CD2 4.28Å; Q133-L171 VanDerWaalsContact OE1-CD2 3.26Å
134	F	96	Very high	95.4	Very high	8 Å²	8	60 Å²	60	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	107.9	-172.5	-157.3	-94.8	0	0	0	110.3	F75 L76 F89 F103 A105 M121 L136 F139	F75-F134 WeakPolarHBondContact CA-O 3.38Å; L76-F134 HydrophobicContact CB-CB 4.25Å; L76-F134 PolarHBondContact N-O 3.13Å; L76-F134 WeakPolarHBondContact O-CB 3.33Å; L76-F134 PolarHBondContact O-N 2.98Å; F89-F134 HydrophobicContact CE2-CD2 4.3Å; F89-F134 HydrophobicContact CE2-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CG 4.5Å; F89-F134 AromaticContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CE2 4.09Å; F89-F134 HydrophobicContact CZ-CG 4.38Å; F103-F134 HydrophobicContact CB-CE1 4.04Å; F103-F134 HydrophobicContact CB-CZ 3.99Å; F103-F134 HydrophobicContact CG-CE1 4.3Å; F103-F134 HydrophobicContact CG-CZ 4.42Å; A105-F134 HydrophobicContact CB-CE2 4.44Å; M121-F134 HydrophobicContact CE-CE2 4.12Å; M121-F134 HydrophobicContact CE-CZ 3.59Å; M121-F134 HydrophobicContact SD-CE2 3.48Å; M121-F134 WeakPolarHBondContact SD-CE2 3.38Å; M121-F134 HydrophobicContact SD-CZ 3.61Å; F134-L136 HydrophobicContact CD1-CD2 3.53Å; F134-L136 HydrophobicContact CD1-CG 4.03Å; F134-L136 HydrophobicContact CE1-CD2 3.76Å; F134-L136 PolarHBondContact O-N 3.42Å; F134-L136 VanDerWaalsContact O-N 3.16Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD2-CD2 4.11Å; F134-F139 AromaticContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CZ 4.3Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.81Å; F134-F139 HydrophobicContact CE2-CD2 3.81Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 AromaticContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CG-CD2 4.05Å; F134-F139 AromaticContact CG-CE2 3.78Å; F134-F139 HydrophobicContact CG-CE2 3.78Å; F134-F139 AromaticContact CZ-CD2 3.4Å; F134-F139 HydrophobicContact CZ-CD2 3.4Å; F134-F139 VanDerWaalsContact CZ-CD2 3.4Å; F134-F139 AromaticContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CG 4.1Å; F134-F139 HydrophobicContact CZ-CZ 4.24Å
135	N	97.1	Very high	95.6	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	89.9	-179.5	-172.2	-19.4	0	0	0	110.7	F75 S137 D138 F139	F75-N135 HydrophobicContact CD1-CB 3.96Å; F75-N135 HydrophobicContact CE1-CB 3.66Å; F75-N135 VanDerWaalsContact CE1-CG 3.46Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; N135-S137 VanDerWaalsContact C-N 3.31Å; N135-S137 PolarHBondContact O-N 2.86Å; N135-S137 PolarHBondContact OD1-N 2.75Å; N135-S137 PolarHBondContact OD1-OG 3.06Å; N135-D138 HydrophobicContact CB-CB 4.1Å; N135-D138 WeakPolarHBondContact ND2-CB 3.26Å; N135-D138 PolarHBondContact O-N 2.84Å; N135-D138 WeakPolarHBondContact OD1-CB 3.25Å; N135-D138 PolarHBondContact OD1-N 3.1Å; N135-F139 WeakPolarHBondContact O-CB 3.5Å; N135-F139 WeakPolarHBondContact O-CD2 3.48Å; N135-F139 WeakPolarHBondContact O-CG 3.17Å; N135-F139 PolarHBondContact O-N 3.16Å
136	L	97.6	Very high	95.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-36	-175.3	-64.7	161.2	0	0	0	112.1	P74 L76 V91 V93 F134 T140 Y148 T151 F167	P74-L136 VanDerWaalsContact O-CB 3.28Å; P74-L136 WeakPolarHBondContact O-CB 3.3Å; P74-L136 PolarHBondContact O-N 3.45Å; L76-L136 HydrophobicContact CB-CD1 4.02Å; L76-L136 HydrophobicContact CB-CG 4.48Å; V91-L136 HydrophobicContact CB-CD2 4.16Å; V91-L136 HydrophobicContact CG1-CD2 3.73Å; V93-L136 HydrophobicContact CG1-CD2 3.89Å; F134-L136 HydrophobicContact CD1-CD2 3.53Å; F134-L136 HydrophobicContact CD1-CG 4.03Å; F134-L136 HydrophobicContact CE1-CD2 3.76Å; F134-L136 PolarHBondContact O-N 3.42Å; F134-L136 VanDerWaalsContact O-N 3.16Å; L136-T140 VanDerWaalsContact O-CB 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.12Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 2.86Å; L136-Y148 HydrophobicContact CB-CD2 4.01Å; L136-Y148 HydrophobicContact CB-CE2 3.93Å; L136-Y148 HydrophobicContact CB-CG 4.44Å; L136-Y148 HydrophobicContact CD1-CE2 4.16Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.78Å
137	S	97	Very high	96.1	Very high	39 Å²	39	48.6 Å²	48.6	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-47.1	179.4	64	0	0	0	0	111.6	N135 T140 R141	N135-S137 VanDerWaalsContact C-N 3.31Å; N135-S137 PolarHBondContact O-N 2.86Å; N135-S137 PolarHBondContact OD1-N 2.75Å; N135-S137 PolarHBondContact OD1-OG 3.06Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-R141 PolarHBondContact O-N 2.87Å
138	D	97.3	Very high	96.4	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-38.1	179	-178.5	63.7	0	0	0	112.7	N135 R141 R142	N135-D138 HydrophobicContact CB-CB 4.1Å; N135-D138 WeakPolarHBondContact ND2-CB 3.26Å; N135-D138 PolarHBondContact O-N 2.84Å; N135-D138 WeakPolarHBondContact OD1-CB 3.25Å; N135-D138 PolarHBondContact OD1-N 3.1Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.64Å; D138-R141 IonicContact OD1-NE 3.82Å; D138-R141 IonicContact OD1-NH2 2.72Å; D138-R141 PolarHBondContact OD1-NH2 2.82Å; D138-R142 WeakPolarHBondContact O-CB 3.35Å; D138-R142 WeakPolarHBondContact O-CG 3.38Å; D138-R142 PolarHBondContact O-N 2.82Å; D138-R142 IonicContact OD1-NE 3.16Å; D138-R142 IonicContact OD2-CZ 2.94Å; D138-R142 IonicContact OD2-NE 3.52Å; D138-R142 PolarHBondContact OD2-NE 2.83Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 IonicContact OD2-NH2 2.95Å; D138-R142 PolarHBondContact OD2-NH2 2.79Å
139	F	96.8	Very high	96.5	Very high	47 Å²	47	47 Å²	47	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-39.1	173.3	-76.4	-55.1	0	0	0	112.6	F103 M121 F134 N135 A143	F103-F139 HydrophobicContact CD1-CB 4.34Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CE2-CB 4.49Å; F103-F139 HydrophobicContact CZ-CB 3.98Å; M121-F139 HydrophobicContact CE-CD1 4.19Å; M121-F139 HydrophobicContact CE-CE1 4.34Å; M121-F139 HydrophobicContact CE-CG 4.47Å; M121-F139 HydrophobicContact SD-CD1 4.4Å; M121-F139 HydrophobicContact SD-CE1 3.96Å; M121-F139 HydrophobicContact SD-CZ 4.04Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD2-CD2 4.11Å; F134-F139 AromaticContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CZ 4.3Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.81Å; F134-F139 HydrophobicContact CE2-CD2 3.81Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 AromaticContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CG-CD2 4.05Å; F134-F139 AromaticContact CG-CE2 3.78Å; F134-F139 HydrophobicContact CG-CE2 3.78Å; F134-F139 AromaticContact CZ-CD2 3.4Å; F134-F139 HydrophobicContact CZ-CD2 3.4Å; F134-F139 VanDerWaalsContact CZ-CD2 3.4Å; F134-F139 AromaticContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CG 4.1Å; F134-F139 HydrophobicContact CZ-CZ 4.24Å; N135-F139 WeakPolarHBondContact O-CB 3.5Å; N135-F139 WeakPolarHBondContact O-CD2 3.48Å; N135-F139 WeakPolarHBondContact O-CG 3.17Å; N135-F139 PolarHBondContact O-N 3.16Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.21Å; F139-A143 PolarHBondContact O-N 2.94Å
140	T	97.4	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-46.4	175.9	-55	0	0	0	0	110.8	D95 L136 S137 Y144 T146	D95-T140 HydrophobicContact CB-CG2 4.13Å; L136-T140 VanDerWaalsContact O-CB 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.12Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 2.86Å; S137-T140 PolarHBondContact O-N 2.88Å; T140-Y144 PolarHBondContact O-N 2.78Å; T140-T146 CarbonylContact C-O 3.41Å
141	R	97.6	Very high	96.8	Very high	140 Å²	140	45.9 Å²	45.9	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-48.3	176.4	-176.7	175.7	59.8	-149.1	-1.3	112.4	S137 D138 G145 T146	S137-R141 PolarHBondContact O-N 2.87Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.64Å; D138-R141 IonicContact OD1-NE 3.82Å; D138-R141 IonicContact OD1-NH2 2.72Å; D138-R141 PolarHBondContact OD1-NH2 2.82Å; R141-G145 VanDerWaalsContact O-CA 3.24Å; R141-G145 WeakPolarHBondContact O-CA 3.46Å; R141-G145 PolarHBondContact O-N 3.31Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.36Å; R141-T146 PolarHBondContact N-O 2.84Å
142	R	96.5	Very high	97	Very high	163 Å²	163	43.6 Å²	43.6	62%	0.615	22%	0.22	S	C	*	.	H	α-helix	trans	-67.6	-38	-178.2	-74.3	-168.7	-74.4	179.1	-5	113.4	D138	D138-R142 WeakPolarHBondContact O-CB 3.35Å; D138-R142 WeakPolarHBondContact O-CG 3.38Å; D138-R142 PolarHBondContact O-N 2.82Å; D138-R142 IonicContact OD1-NE 3.16Å; D138-R142 IonicContact OD2-CZ 2.94Å; D138-R142 IonicContact OD2-NE 3.52Å; D138-R142 PolarHBondContact OD2-NE 2.83Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 IonicContact OD2-NH2 2.95Å; D138-R142 PolarHBondContact OD2-NH2 2.79Å
143	A	96.8	Very high	97.2	Very high	22 Å²	22	44.6 Å²	44.6	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-81.6	-35	-177	0	0	0	0	0	113.2	F103 V114 C119 F139	F103-A143 HydrophobicContact CE1-CB 3.92Å; F103-A143 HydrophobicContact CZ-CB 4.22Å; V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.49Å; V114-A143 HydrophobicContact CG2-CB 4.43Å; C119-A143 HydrophobicContact CB-CB 4.36Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.21Å; F139-A143 PolarHBondContact O-N 2.94Å
144	Y	97.2	Very high	97.4	Very high	39 Å²	39	40.5 Å²	40.5	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-128.5	-6.3	-168.5	-55.1	-67.4	0	0	0	114.8	R101 F103 V114 K115 P116 I118 C119 T140 T146	R101-Y144 HydrophobicContact CB-CD2 4.23Å; R101-Y144 HydrophobicContact CB-CE2 3.6Å; R101-Y144 HydrophobicContact CG-CD2 3.81Å; R101-Y144 HydrophobicContact CG-CE2 3.66Å; R101-Y144 HydrophobicContact CG-CG 4.35Å; F103-Y144 HydrophobicContact CE1-CE2 4.05Å; F103-Y144 HydrophobicContact CE2-CE2 4.27Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.59Å; F103-Y144 HydrophobicContact CZ-CE2 3.59Å; V114-Y144 HydrophobicContact CG1-CD1 4.46Å; V114-Y144 HydrophobicContact CG1-CE1 4.03Å; K115-Y144 WeakPolarHBondContact O-CE1 3.49Å; P116-Y144 WeakPolarHBondContact O-CE1 3.45Å; I118-Y144 VanDerWaalsContact C-OH 3.28Å; C119-Y144 PolarHBondContact N-OH 2.92Å; C119-Y144 VanDerWaalsContact N-OH 3.16Å; T140-Y144 PolarHBondContact O-N 2.78Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.36Å; Y144-T146 PolarHBondContact O-N 3.33Å
145	G	97.2	Very high	97.5	Very high	62 Å²	62	41.8 Å²	41.8	64%	0.639	21%	0.209	S	C	*	.	S	Bend	trans	64.4	23.7	-174.4	0	0	0	0	0	113.2	R141	R141-G145 VanDerWaalsContact O-CA 3.24Å; R141-G145 WeakPolarHBondContact O-CA 3.46Å; R141-G145 PolarHBondContact O-N 3.31Å
146	T	97.6	Very high	97.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.199	C	C	.	.			trans	-120.2	163.2	-179.2	53.4	0	0	0	0	111.3	D95 D96 K97 T140 R141 Y144	D95-T146 WeakPolarHBondContact CB-OG1 2.83Å; D95-T146 PolarHBondContact OD2-OG1 2.97Å; D96-T146 WeakPolarHBondContact OD1-CB 2.75Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 4Å; T140-T146 CarbonylContact C-O 3.41Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.36Å; R141-T146 PolarHBondContact N-O 2.84Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.36Å; Y144-T146 PolarHBondContact O-N 3.33Å
147	N	98	Very high	97.6	Very high	91 Å²	91	40.1 Å²	40.1	49%	0.487	20%	0.2	S	C	.	.			trans	-94.3	142.3	180	-60.4	-62.3	0	0	0	111.4	D95 D96	D95-N147 CarbonylContact C-O 3.52Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.33Å; D96-N147 HydrophobicContact CB-CB 4.17Å; D96-N147 PolarHBondContact N-O 3.06Å; D96-N147 PolarHBondContact OD1-N 2.77Å; D96-N147 WeakPolarHBondContact OD2-CB 3.44Å; D96-N147 PolarHBondContact OD2-N 3.02Å; D96-N147 PolarHBondContact OD2-ND2 2.82Å
148	Y	98.1	Very high	97.6	Very high	27 Å²	27	38.2 Å²	38.2	11%	0.106	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.3	173.2	168	-102.5	0	0	0	111	I71 K72 L73 V93 L136 T151	I71-Y148 PolarHBondContact O-OH 3.14Å; K72-Y148 WeakPolarHBondContact O-CE1 3.45Å; L73-Y148 WeakPolarHBondContact O-CE1 3.4Å; L73-Y148 PolarHBondContact O-OH 2.76Å; V93-Y148 HydrophobicContact CB-CD2 4.01Å; V93-Y148 HydrophobicContact CB-CE2 4.11Å; V93-Y148 HydrophobicContact CG1-CD2 4Å; V93-Y148 HydrophobicContact CG1-CE2 3.82Å; L136-Y148 HydrophobicContact CB-CD2 4.01Å; L136-Y148 HydrophobicContact CB-CE2 3.93Å; L136-Y148 HydrophobicContact CB-CG 4.44Å; L136-Y148 HydrophobicContact CD1-CE2 4.16Å; Y148-T151 PolarHBondContact OH-N 2.92Å; Y148-T151 VanDerWaalsContact OH-N 3.14Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å
149	I	97.4	Very high	97.5	Very high	74 Å²	74	37.5 Å²	37.5	38%	0.379	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-57	176.5	-60.4	-67.1	0	0	0	110.4	L94 D95 D96	L94-I149 HydrophobicContact CD2-CG2 4.39Å; L94-I149 WeakPolarHBondContact O-CB 3.31Å; L94-I149 PolarHBondContact O-N 2.77Å; D95-I149 VanDerWaalsContact C-CG1 3.5Å; D96-I149 HydrophobicContact CB-CD1 4.02Å; D96-I149 HydrophobicContact CB-CG1 4.25Å
150	E	97.2	Very high	97.5	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	156.2	179.6	60.7	176.1	-149.1	0	0	112.8	G70 I71 K72 V93 L94 L152	G70-E150 WeakPolarHBondContact CA-OE2 3.39Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; K72-E150 HydrophobicContact CG-CB 4.4Å; V93-E150 CarbonylContact C-O 3.49Å; V93-E150 WeakPolarHBondContact CA-O 3.16Å; L94-E150 HydrophobicContact CB-CG 3.98Å; L94-E150 HydrophobicContact CD2-CG 4.17Å; L94-E150 PolarHBondContact N-O 2.82Å; E150-L152 HydrophobicContact CG-CD2 3.93Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.41Å
151	T	98.3	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.5	167	-62.5	0	0	0	0	110.2	L69 G70 I71 V91 L136 Y148 V154 F167	L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.24Å; G70-T151 PolarHBondContact N-O 2.87Å; I71-T151 PolarHBondContact N-O 2.9Å; I71-T151 PolarHBondContact O-N 2.79Å; V91-T151 HydrophobicContact CG1-CG2 3.56Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; Y148-T151 PolarHBondContact OH-N 2.92Å; Y148-T151 VanDerWaalsContact OH-N 3.14Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å; T151-V154 HydrophobicContact CG2-CG2 4.01Å; T151-F167 HydrophobicContact CG2-CE1 4.13Å; T151-F167 HydrophobicContact CG2-CZ 3.81Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.38Å
152	L	97.9	Very high	97.5	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-40.7	-178.4	-57.5	-177.9	0	0	0	112	T68 L69 Q92 L94 R100 E150	T68-L152 CarbonylContact C-O 3.51Å; T68-L152 WeakPolarHBondContact CA-O 3.37Å; T68-L152 HydrophobicContact CG2-CB 4.31Å; T68-L152 HydrophobicContact CG2-CD2 4.01Å; L69-L152 PolarHBondContact N-O 2.79Å; Q92-L152 HydrophobicContact CB-CB 4.35Å; Q92-L152 HydrophobicContact CG-CB 4.27Å; Q92-L152 HydrophobicContact CG-CD1 4.22Å; Q92-L152 PolarHBondContact O-N 2.83Å; L94-L152 HydrophobicContact CB-CD1 4.2Å; L94-L152 HydrophobicContact CB-CD2 4.18Å; L94-L152 HydrophobicContact CB-CG 4.23Å; R100-L152 HydrophobicContact CB-CD1 4.42Å; R100-L152 HydrophobicContact CG-CD1 3.79Å; E150-L152 HydrophobicContact CG-CD2 3.93Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.41Å
153	R	98.1	Very high	97.5	Very high	41 Å²	41	25 Å²	25	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143	-172.6	-173.1	170.6	-66.3	-75.7	-7.7	111.3	T60 C61 P62 D64 P65 K67 V91 Q92	T60-R153 HydrophobicContact CG2-CG 3.8Å; C61-R153 CarbonylContact O-C 3.52Å; C61-R153 VanDerWaalsContact O-CA 3.26Å; C61-R153 WeakPolarHBondContact O-CA 3.39Å; C61-R153 WeakPolarHBondContact O-CG 3.23Å; P62-R153 PolarHBondContact O-NH1 2.81Å; D64-R153 PolarHBondContact O-NH2 2.89Å; P65-R153 VanDerWaalsContact CA-NH2 3.34Å; P65-R153 PolarHBondContact O-NH2 3.25Å; K67-R153 PolarHBondContact O-NH2 3.42Å; V91-R153 WeakPolarHBondContact CA-O 3.17Å; Q92-R153 HydrophobicContact CB-CB 4.01Å; Q92-R153 PolarHBondContact N-O 3.01Å; Q92-R153 PolarHBondContact O-N 2.87Å
154	V	98.4	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.9	170.8	179.1	0	0	0	0	108.3	I13 W25 T60 C61 L69 E90 V91 T151 I156 F167	I13-V154 HydrophobicContact CD1-CB 4.33Å; I13-V154 HydrophobicContact CD1-CG2 4.17Å; W25-V154 HydrophobicContact CH2-CB 4.37Å; W25-V154 HydrophobicContact CH2-CG1 4.13Å; T60-V154 WeakPolarHBondContact CA-O 3.39Å; C61-V154 PolarHBondContact N-O 2.66Å; C61-V154 PolarHBondContact O-N 3.2Å; L69-V154 HydrophobicContact CD1-CG2 3.95Å; E90-V154 CarbonylContact O-C 3.55Å; E90-V154 WeakPolarHBondContact O-CA 3.33Å; V91-V154 HydrophobicContact CG1-CG2 4.28Å; T151-V154 HydrophobicContact CG2-CG2 4.01Å; V154-I156 HydrophobicContact CG1-CD1 4.5Å; V154-I156 HydrophobicContact CG1-CG1 4.19Å; V154-F167 HydrophobicContact CG2-CZ 4.06Å
155	Q	98.3	Very high	97.4	Very high	35 Å²	35	22.4 Å²	22.4	16%	0.164	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.7	177	175.9	175.2	-35.8	0	0	109.5	Y58 I59 F89 E90 H157	Y58-Q155 HydrophobicContact CD2-CG 3.95Å; Y58-Q155 HydrophobicContact CG-CG 4.22Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; F89-Q155 CarbonylContact C-O 3.52Å; F89-Q155 VanDerWaalsContact CA-O 3.32Å; F89-Q155 WeakPolarHBondContact CA-O 2.99Å; E90-Q155 HydrophobicContact CB-CB 4.35Å; E90-Q155 PolarHBondContact N-O 3.45Å; E90-Q155 PolarHBondContact O-N 3.31Å; Q155-H157 PolarHBondContact NE2-CE1 2.93Å; Q155-H157 PolarHBondContact NE2-NE2 2.92Å
156	I	98.2	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.1	-177.7	-55.7	174.1	0	0	0	108	W25 Y58 I59 M78 F87 F89 V154 I162 V165	W25-I156 HydrophobicContact CH2-CD1 4.09Å; W25-I156 HydrophobicContact CZ3-CD1 4.34Å; W25-I156 HydrophobicContact CZ3-CG1 4.48Å; Y58-I156 CarbonylContact C-O 3.59Å; Y58-I156 VanDerWaalsContact CA-O 3.23Å; Y58-I156 WeakPolarHBondContact CA-O 3.43Å; Y58-I156 VanDerWaalsContact CB-O 3.3Å; Y58-I156 WeakPolarHBondContact CB-O 3.2Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4Å; I59-I156 PolarHBondContact N-O 2.89Å; I59-I156 PolarHBondContact O-N 2.94Å; M78-I156 HydrophobicContact SD-CD1 3.96Å; M78-I156 HydrophobicContact SD-CG1 4.35Å; F87-I156 HydrophobicContact CE2-CG2 3.65Å; F87-I156 HydrophobicContact CZ-CG2 3.96Å; F89-I156 HydrophobicContact CB-CG1 4.35Å; V154-I156 HydrophobicContact CG1-CD1 4.5Å; V154-I156 HydrophobicContact CG1-CG1 4.19Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.05Å; I156-I162 HydrophobicContact CG2-CD1 3.69Å; I156-I162 HydrophobicContact CG2-CG1 4.5Å; I156-V165 HydrophobicContact CD1-CG2 3.78Å
157	H	98.1	Very high	97.4	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.023	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	175.7	-175.5	-70.6	-104.2	0	0	0	113	V54 T88 E90 Q155 C160	V54-H157 HydrophobicContact CG1-CB 3.7Å; V54-H157 WeakPolarHBondContact O-CB 3.38Å; V54-H157 PolarHBondContact O-ND1 2.82Å; T88-H157 HydrophobicContact CG2-CB 3.62Å; T88-H157 VanDerWaalsContact CG2-CG 3.48Å; T88-H157 VanDerWaalsContact O-CB 3.23Å; T88-H157 WeakPolarHBondContact O-CB 3.44Å; T88-H157 PolarHBondContact O-N 3.11Å; E90-H157 IonicContact OE1-NE2 3.46Å; E90-H157 PolarHBondContact OE1-NE2 2.84Å; Q155-H157 PolarHBondContact NE2-CE1 2.93Å; Q155-H157 PolarHBondContact NE2-NE2 2.92Å; H157-C160 PolarHBondContact O-SG 3.37Å
158	A	96.5	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-59.1	165.9	-177.6	0	0	0	0	0	114.7	V49 T57	V49-A158 CarbonylContact O-C 3.53Å; T57-A158 HydrophobicContact CG2-CB 4.24Å; T57-A158 WeakPolarHBondContact O-CB 3.49Å; T57-A158 PolarHBondContact O-N 2.64Å
159	N	96.9	Very high	97.1	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.059	8%	0.076	C	C	.	.	S	Bend	trans	69.2	44.9	176.5	-46.9	-42.1	0	0	0	114.4	V49 G51 K85 Y86	V49-N159 WeakPolarHBondContact O-CA 3.43Å; V49-N159 PolarHBondContact O-N 3.16Å; G51-N159 PolarHBondContact N-OD1 3.15Å; G51-N159 PolarHBondContact O-ND2 2.94Å; G51-N159 PolarHBondContact O-OD1 2.95Å; K85-N159 HydrophobicContact CB-CB 3.57Å; K85-N159 HydrophobicContact CD-CB 4.24Å; Y86-N159 WeakPolarHBondContact O-CB 3.49Å; Y86-N159 PolarHBondContact O-ND2 2.96Å
160	C	96.7	Very high	97	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.2	170.1	65.7	0	0	0	0	111.1	V49 F87 H157 I162	V49-C160 PolarHBondContact N-O 2.7Å; V49-C160 PolarHBondContact O-N 3.31Å; V49-C160 VanDerWaalsContact O-N 3.15Å; F87-C160 HydrophobicContact CD2-CB 3.54Å; F87-C160 HydrophobicContact CE2-CB 3.56Å; F87-C160 WeakPolarHBondContact CE2-SG 3.44Å; F87-C160 HydrophobicContact CG-CB 4.31Å; F87-C160 HydrophobicContact CZ-CB 4.34Å; H157-C160 PolarHBondContact O-SG 3.37Å; C160-I162 VanDerWaalsContact SG-CG1 3.59Å
161	R	97.6	Very high	96.7	Very high	55 Å²	55	21.6 Å²	21.6	21%	0.208	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.2	161.1	-64.1	173.1	179.8	179.6	-4.3	108.5	I37 D39 V46 L47 E48 I80 K81 L83 W129	I37-R161 VanDerWaalsContact CD1-CZ 3.46Å; D39-R161 WeakPolarHBondContact OD2-CD 3.45Å; D39-R161 IonicContact OD2-CZ 2.84Å; D39-R161 IonicContact OD2-NE 2.83Å; D39-R161 IonicContact OD2-NH1 3.99Å; D39-R161 PolarHBondContact OD2-NH1 2.97Å; V46-R161 HydrophobicContact CB-CB 4.43Å; V46-R161 HydrophobicContact CG2-CB 4.06Å; V46-R161 HydrophobicContact CG2-CG 4.28Å; L47-R161 CarbonylContact O-C 3.48Å; L47-R161 WeakPolarHBondContact O-CA 3.24Å; E48-R161 HydrophobicContact CB-CG 4.15Å; E48-R161 HydrophobicContact CG-CG 4.1Å; E48-R161 IonicContact OE2-CZ 3.29Å; E48-R161 VanDerWaalsContact OE2-CZ 3.27Å; E48-R161 IonicContact OE2-NE 3.27Å; E48-R161 PolarHBondContact OE2-NE 3.38Å; E48-R161 IonicContact OE2-NH2 3.58Å; E48-R161 PolarHBondContact OE2-NH2 3.3Å; I80-R161 CarbonylContact C-O 3.48Å; I80-R161 WeakPolarHBondContact CA-O 3.31Å; K81-R161 HydrophobicContact CB-CB 3.88Å; K81-R161 PolarHBondContact N-O 2.8Å; L83-R161 HydrophobicContact CD1-CG 4.35Å; L83-R161 HydrophobicContact CD2-CG 4.14Å; W129-R161 HydrophobicContact CH2-CB 4.21Å
162	I	97.3	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.2	-174.4	-49.1	168.6	0	0	0	108.1	L14 L47 V49 I59 I80 I156 C160 V165	L14-I162 HydrophobicContact CD1-CG2 4.48Å; L14-I162 HydrophobicContact CD2-CB 4.46Å; L14-I162 HydrophobicContact CD2-CG2 3.71Å; L47-I162 HydrophobicContact CB-CB 4.5Å; L47-I162 PolarHBondContact N-O 3.25Å; L47-I162 PolarHBondContact O-N 2.95Å; V49-I162 HydrophobicContact CG2-CD1 4.16Å; I59-I162 HydrophobicContact CD1-CD1 3.83Å; I80-I162 HydrophobicContact CG2-CG1 4.37Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.05Å; I156-I162 HydrophobicContact CG2-CD1 3.69Å; I156-I162 HydrophobicContact CG2-CG1 4.5Å; C160-I162 VanDerWaalsContact SG-CG1 3.59Å; I162-V165 HydrophobicContact CG2-CG2 3.64Å
163	R	95.9	Very high	95.7	Very high	31 Å²	31	25.9 Å²	25.9	12%	0.117	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-50.3	174.7	179.1	69.3	-179.1	94.9	12.2	111.3	Y15 S16 I17 I42 I79 W129	Y15-R163 VanDerWaalsContact CE2-NH2 3.33Å; Y15-R163 PolarHBondContact OH-NH2 3.09Å; S16-R163 PolarHBondContact N-O 3Å; S16-R163 WeakPolarHBondContact OG-CD 3.11Å; S16-R163 PolarHBondContact OG-NH1 2.81Å; S16-R163 PolarHBondContact OG-O 3.33Å; S16-R163 VanDerWaalsContact OG-O 3.13Å; I17-R163 VanDerWaalsContact CD1-CZ 3.43Å; I42-R163 HydrophobicContact CD1-CG 4.39Å; I79-R163 HydrophobicContact CB-CB 4.16Å; I79-R163 HydrophobicContact CG2-CB 3.85Å; I79-R163 HydrophobicContact CG2-CG 4.32Å; I79-R163 PolarHBondContact O-N 3.09Å; W129-R163 HydrophobicContact CH2-CB 3.93Å; W129-R163 HydrophobicContact CZ3-CB 3.65Å
164	R	95.6	Very high	95	Very high	7 Å²	7	28 Å²	28	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	143	-177	-165.1	175.2	-88.8	-133.6	-6.5	110.5	L14 Y15 I79 Y166 E180 F181	L14-R164 CarbonylContact O-C 3.54Å; L14-R164 VanDerWaalsContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CA 3.28Å; Y15-R164 HydrophobicContact CD2-CB 4.33Å; Y15-R164 HydrophobicContact CD2-CG 4.17Å; Y15-R164 VanDerWaalsContact CD2-NE 3.29Å; I79-R164 HydrophobicContact CD1-CB 4.16Å; I79-R164 HydrophobicContact CG1-CB 4.48Å; I79-R164 PolarHBondContact N-O 3.31Å; R164-Y166 HydrophobicContact CG-CD1 3.95Å; R164-E180 IonicContact CZ-OE1 2.63Å; R164-E180 PolarHBondContact NE-O 3.2Å; R164-E180 VanDerWaalsContact NE-O 3.11Å; R164-E180 PolarHBondContact NH1-O 3.04Å; R164-E180 IonicContact NH1-OE1 3.33Å; R164-E180 PolarHBondContact NH1-OE1 2.95Å; R164-E180 PolarHBondContact NH2-O 2.66Å; R164-E180 VanDerWaalsContact NH2-O 3.13Å; R164-E180 IonicContact NH2-OE1 3.4Å; R164-F181 VanDerWaalsContact NH1-CD1 3.27Å; R164-F181 VanDerWaalsContact NH1-CE2 3.33Å
165	V	97.3	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.8	168.8	-176.6	0	0	0	0	107.5	I13 L14 L76 V77 M78 I156 I162	I13-V165 HydrophobicContact CD1-CB 4.3Å; I13-V165 HydrophobicContact CD1-CG1 3.54Å; I13-V165 HydrophobicContact CG1-CB 3.92Å; I13-V165 HydrophobicContact CG1-CG1 3.61Å; I13-V165 WeakPolarHBondContact CG1-O 3.41Å; I13-V165 PolarHBondContact N-O 3.4Å; L14-V165 HydrophobicContact CB-CB 4.01Å; L14-V165 HydrophobicContact CB-CG2 4.15Å; L14-V165 PolarHBondContact N-O 3.19Å; L14-V165 VanDerWaalsContact N-O 3.12Å; L14-V165 PolarHBondContact O-N 3.4Å; L76-V165 HydrophobicContact CD1-CG1 3.71Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; M78-V165 HydrophobicContact CG-CB 4.33Å; M78-V165 HydrophobicContact CG-CG1 3.77Å; M78-V165 HydrophobicContact CG-CG2 3.99Å; I156-V165 HydrophobicContact CD1-CG2 3.78Å; I162-V165 HydrophobicContact CG2-CG2 3.64Å
166	Y	96.4	Very high	93.8	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.9	-176.9	66.8	-83.5	0	0	0	111	F10 L11 V77 R164 F181	F10-Y166 AromaticContact CD1-CD2 3.91Å; F10-Y166 HydrophobicContact CD1-CD2 3.91Å; F10-Y166 AromaticContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CE1-CE2 4.11Å; L11-Y166 CarbonylContact O-C 3.57Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.43Å; V77-Y166 HydrophobicContact CB-CD1 4.11Å; V77-Y166 HydrophobicContact CB-CD2 4.21Å; V77-Y166 HydrophobicContact CB-CE1 3.66Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.41Å; V77-Y166 HydrophobicContact CG1-CE1 3.55Å; V77-Y166 HydrophobicContact CG1-CE2 4.25Å; V77-Y166 VanDerWaalsContact CG1-CZ 3.47Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.35Å; V77-Y166 HydrophobicContact CG2-CE2 3.96Å; V77-Y166 PolarHBondContact N-O 2.86Å; V77-Y166 PolarHBondContact O-N 3.16Å; V77-Y166 VanDerWaalsContact O-O 3.11Å; R164-Y166 HydrophobicContact CG-CD1 3.95Å; Y166-F181 AromaticContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CE1 4.14Å; Y166-F181 AromaticContact CD2-CD1 3.81Å; Y166-F181 HydrophobicContact CD2-CD1 3.81Å; Y166-F181 AromaticContact CD2-CE1 3.83Å; Y166-F181 HydrophobicContact CD2-CE1 3.83Å; Y166-F181 AromaticContact CE1-CD1 3.88Å; Y166-F181 HydrophobicContact CE1-CD1 3.88Å; Y166-F181 AromaticContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CE1 4.36Å; Y166-F181 AromaticContact CG-CD1 3.74Å; Y166-F181 HydrophobicContact CG-CD1 3.74Å; Y166-F181 AromaticContact CG-CE1 3.69Å; Y166-F181 HydrophobicContact CG-CE1 3.69Å; Y166-F181 AromaticContact CZ-CD1 3.92Å
167	F	97.4	Very high	93.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	152.7	169.9	-68	-103.3	0	0	0	110.6	F10 L11 I13 I71 L73 F75 L76 L136 T151 V154	F10-F167 CarbonylContact C-O 3.59Å; F10-F167 WeakPolarHBondContact CA-O 3.33Å; L11-F167 HydrophobicContact CB-CB 4.48Å; L11-F167 PolarHBondContact N-O 3.11Å; L11-F167 PolarHBondContact O-N 3.42Å; I13-F167 HydrophobicContact CD1-CE2 3.81Å; I13-F167 HydrophobicContact CG1-CE2 4.32Å; I13-F167 HydrophobicContact CG2-CD2 4.17Å; I13-F167 HydrophobicContact CG2-CE2 4.03Å; I71-F167 HydrophobicContact CD1-CD2 3.68Å; I71-F167 HydrophobicContact CD1-CE2 3.46Å; I71-F167 VanDerWaalsContact CD1-CE2 3.46Å; I71-F167 HydrophobicContact CD1-CG 4.48Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 4.04Å; I71-F167 HydrophobicContact CG2-CD1 3.75Å; I71-F167 HydrophobicContact CG2-CD2 3.95Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CE2 4.31Å; I71-F167 HydrophobicContact CG2-CG 3.66Å; I71-F167 HydrophobicContact CG2-CZ 4.39Å; L73-F167 HydrophobicContact CB-CB 3.66Å; L73-F167 HydrophobicContact CB-CD1 4.46Å; L73-F167 HydrophobicContact CB-CG 4.46Å; L73-F167 HydrophobicContact CD1-CB 3.73Å; L73-F167 HydrophobicContact CG-CB 4.32Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.39Å; F75-F167 WeakPolarHBondContact O-CB 3.24Å; L76-F167 HydrophobicContact CB-CD1 4.2Å; L76-F167 HydrophobicContact CB-CE1 4.01Å; L76-F167 HydrophobicContact CD1-CD1 4.43Å; L76-F167 HydrophobicContact CD1-CD2 4.27Å; L76-F167 HydrophobicContact CD1-CE1 4.11Å; L76-F167 HydrophobicContact CD1-CE2 3.93Å; L76-F167 HydrophobicContact CD1-CZ 3.83Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.78Å; T151-F167 HydrophobicContact CG2-CE1 4.13Å; T151-F167 HydrophobicContact CG2-CZ 3.81Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.38Å; V154-F167 HydrophobicContact CG2-CZ 4.06Å
168	S	96.2	Very high	92.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.4	172	61.9	0	0	0	0	112.7	G9 P74 F75 R170	G9-S168 WeakPolarHBondContact O-CA 3.43Å; P74-S168 WeakPolarHBondContact CD-O 3.45Å; F75-S168 WeakPolarHBondContact CB-OG 3.48Å; F75-S168 PolarHBondContact N-O 3.47Å; F75-S168 VanDerWaalsContact N-O 3.11Å; F75-S168 PolarHBondContact O-N 2.7Å; S168-R170 WeakPolarHBondContact CB-O 3.39Å; S168-R170 PolarHBondContact OG-O 3.17Å
169	D	94.4	Very high	92	Very high	56 Å²	56	43 Å²	43	30%	0.299	22%	0.221	S	C	.	.	S	Bend	trans	-72.7	-33.4	174.9	52.7	8.6	0	0	0	112.6	G9 L73 P74 Y172	G9-D169 WeakPolarHBondContact CA-OD2 3.2Å; G9-D169 PolarHBondContact N-OD2 3.22Å; G9-D169 PolarHBondContact O-N 3.14Å; L73-D169 HydrophobicContact CD2-CB 3.9Å; P74-D169 VanDerWaalsContact CG-O 3.24Å; P74-D169 WeakPolarHBondContact CG-O 2.98Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.45Å; D169-Y172 PolarHBondContact OD1-OH 3.29Å
170	R	93.7	Very high	91.3	Very high	116 Å²	116	47.7 Å²	47.7	44%	0.438	24%	0.243	S	C	.	.	S	Bend	trans	-137.8	172.5	175.8	67	-174.4	-172.7	156.7	13.6	112.4	S168 Y172 E176	S168-R170 WeakPolarHBondContact CB-O 3.39Å; S168-R170 PolarHBondContact OG-O 3.17Å; R170-Y172 HydrophobicContact CG-CD1 4.45Å; R170-Y172 HydrophobicContact CG-CD2 3.9Å; R170-Y172 HydrophobicContact CG-CE1 4.23Å; R170-Y172 HydrophobicContact CG-CE2 3.63Å; R170-Y172 HydrophobicContact CG-CG 4.33Å; R170-Y172 VanDerWaalsContact NE-CE1 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.43Å; R170-Y172 PolarHBondContact O-N 3Å; R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact CZ-OE2 2.74Å; R170-E176 IonicContact NH1-OE1 3.95Å; R170-E176 IonicContact NH2-OE1 2.72Å; R170-E176 PolarHBondContact NH2-OE1 2.96Å; R170-E176 IonicContact NH2-OE2 3.81Å; R170-E176 PolarHBondContact NH2-OE2 3.32Å
171	L	91.2	Very high	90.5	Very high	85 Å²	85	48.3 Å²	48.3	45%	0.445	25%	0.245	S	C	.	.			trans	-79.1	114.5	164.2	-64	-178.3	0	0	0	108.1	F75 Q133	F75-L171 HydrophobicContact CB-CD2 4.38Å; F75-L171 HydrophobicContact CD1-CD1 4.44Å; F75-L171 HydrophobicContact CD1-CD2 3.29Å; F75-L171 HydrophobicContact CD1-CG 3.71Å; F75-L171 HydrophobicContact CE1-CD1 3.91Å; F75-L171 HydrophobicContact CE1-CD2 3.61Å; F75-L171 HydrophobicContact CE1-CG 3.44Å; F75-L171 VanDerWaalsContact CE1-CG 3.44Å; F75-L171 HydrophobicContact CG-CD2 3.83Å; F75-L171 HydrophobicContact CG-CG 4.32Å; F75-L171 HydrophobicContact CZ-CD2 4.4Å; F75-L171 HydrophobicContact CZ-CG 3.9Å; Q133-L171 HydrophobicContact CB-CD2 4.03Å; Q133-L171 HydrophobicContact CG-CD2 4.28Å; Q133-L171 VanDerWaalsContact OE1-CD2 3.26Å
172	Y	89.5	Confident	89.7	Confident	39 Å²	39	48 Å²	48	15%	0.153	25%	0.245	C	C	.	.			trans	-88.7	141.7	174.5	-72	-91.6	0	0	0	109.5	G9 F10 D169 R170 E176 L177	G9-Y172 WeakPolarHBondContact CA-OH 3.41Å; F10-Y172 HydrophobicContact CD1-CD2 4.43Å; F10-Y172 HydrophobicContact CD1-CE2 4.34Å; F10-Y172 AromaticContact CE1-CD2 3.36Å; F10-Y172 HydrophobicContact CE1-CD2 3.36Å; F10-Y172 AromaticContact CE1-CE2 3.55Å; F10-Y172 HydrophobicContact CE1-CE2 3.55Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD2 4.41Å; F10-Y172 HydrophobicContact CE2-CE1 4.26Å; F10-Y172 HydrophobicContact CE2-CE2 4.06Å; F10-Y172 AromaticContact CE2-CZ 3.97Å; F10-Y172 AromaticContact CZ-CD1 3.84Å; F10-Y172 HydrophobicContact CZ-CD1 3.84Å; F10-Y172 AromaticContact CZ-CD2 3.35Å; F10-Y172 HydrophobicContact CZ-CD2 3.35Å; F10-Y172 AromaticContact CZ-CE1 3.88Å; F10-Y172 HydrophobicContact CZ-CE1 3.88Å; F10-Y172 AromaticContact CZ-CE2 3.39Å; F10-Y172 HydrophobicContact CZ-CE2 3.39Å; F10-Y172 AromaticContact CZ-CG 3.56Å; F10-Y172 HydrophobicContact CZ-CG 3.56Å; F10-Y172 AromaticContact CZ-CZ 3.65Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.45Å; D169-Y172 PolarHBondContact OD1-OH 3.29Å; R170-Y172 HydrophobicContact CG-CD1 4.45Å; R170-Y172 HydrophobicContact CG-CD2 3.9Å; R170-Y172 HydrophobicContact CG-CE1 4.23Å; R170-Y172 HydrophobicContact CG-CE2 3.63Å; R170-Y172 HydrophobicContact CG-CG 4.33Å; R170-Y172 VanDerWaalsContact NE-CE1 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.43Å; R170-Y172 PolarHBondContact O-N 3Å; Y172-E176 WeakPolarHBondContact CA-OE2 3.39Å; Y172-E176 HydrophobicContact CD1-CB 3.8Å; Y172-L177 HydrophobicContact CG-CD2 4.42Å
173	S	87.3	Confident	88.7	Confident	56 Å²	56	50.1 Å²	50.1	39%	0.392	26%	0.257	S	S	.	.			trans	-70.4	161	167.9	70.3	0	0	0	0	110.3	D175 E176 L177	S173-D175 PolarHBondContact O-N 3.17Å; S173-D175 VanDerWaalsContact O-N 3.17Å; S173-E176 PolarHBondContact N-OE2 3.49Å; S173-E176 PolarHBondContact O-N 3.04Å; S173-E176 VanDerWaalsContact O-N 3.1Å; S173-E176 WeakPolarHBondContact OG-CG 3.2Å; S173-E176 PolarHBondContact OG-N 3.02Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 2.89Å
174	E	83.4	Confident	87.6	Confident	86 Å²	86	55.4 Å²	55.4	40%	0.402	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.4	175.7	-77.7	-59.3	128.2	0	0	111.8	Q131 L177 K182	Q131-E174 PolarHBondContact OE1-OE1 3.31Å; E174-L177 PolarHBondContact O-N 2.88Å; E174-K182 WeakPolarHBondContact O-CD 3.37Å; E174-K182 WeakPolarHBondContact O-CE 3.4Å; E174-K182 PolarHBondContact O-NZ 3.1Å
175	D	84.7	Confident	86.5	Confident	144 Å²	144	59.9 Å²	59.9	77%	0.77	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.5	-179.9	-64.3	-39.1	0	0	0	113.3	S173 K182	S173-D175 PolarHBondContact O-N 3.17Å; S173-D175 VanDerWaalsContact O-N 3.17Å; D175-K182 PolarHBondContact O-NZ 2.72Å
176	E	86.6	Confident	84.9	Confident	90 Å²	90	62.4 Å²	62.4	42%	0.421	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.7	179.7	-63.4	177.9	133.7	0	0	113.3	R170 Y172 S173	R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact CZ-OE2 2.74Å; R170-E176 IonicContact NH1-OE1 3.95Å; R170-E176 IonicContact NH2-OE1 2.72Å; R170-E176 PolarHBondContact NH2-OE1 2.96Å; R170-E176 IonicContact NH2-OE2 3.81Å; R170-E176 PolarHBondContact NH2-OE2 3.32Å; Y172-E176 WeakPolarHBondContact CA-OE2 3.39Å; Y172-E176 HydrophobicContact CD1-CB 3.8Å; S173-E176 PolarHBondContact N-OE2 3.49Å; S173-E176 PolarHBondContact O-N 3.04Å; S173-E176 VanDerWaalsContact O-N 3.1Å; S173-E176 WeakPolarHBondContact OG-CG 3.2Å; S173-E176 PolarHBondContact OG-N 3.02Å
177	L	85.7	Confident	82.8	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	35%	0.354	C	S	.	.	S	Bend	trans	-67	133.8	179.4	-74.1	175.9	0	0	0	110.4	F10 Y172 S173 E174 F181 K182	F10-L177 HydrophobicContact CE1-CD2 3.59Å; F10-L177 HydrophobicContact CZ-CD2 3.78Å; Y172-L177 HydrophobicContact CG-CD2 4.42Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 2.89Å; E174-L177 PolarHBondContact O-N 2.88Å; L177-F181 HydrophobicContact CB-CB 4.48Å; L177-F181 HydrophobicContact CD2-CB 4.14Å; L177-K182 HydrophobicContact CB-CD 4.43Å; L177-K182 HydrophobicContact CB-CG 3.67Å; L177-K182 WeakPolarHBondContact O-CE 3.36Å
178	P	85.8	Confident	80.6	Confident	53 Å²	53	75.2 Å²	75.2	34%	0.344	39%	0.386	S	S	.	.			trans	-60.7	148	167.1	-18.9	30	0	0	0	110	F10 E180 F181 K182	F10-P178 HydrophobicContact CD2-CG 4.39Å; F10-P178 HydrophobicContact CE2-CG 3.99Å; P178-E180 HydrophobicContact CB-CG 4.06Å; P178-E180 PolarHBondContact O-N 3.41Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 3.91Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 3.24Å; P178-K182 PolarHBondContact O-N 2.63Å
179	A	82	Confident	77.9	Confident	61 Å²	61	82.2 Å²	82.2	50%	0.504	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.2	-175.4	0	0	0	0	0	113.6	F181 K182 Y184	A179-F181 VanDerWaalsContact C-N 3.3Å; A179-F181 PolarHBondContact O-N 2.93Å; A179-K182 PolarHBondContact O-N 2.74Å; A179-Y184 HydrophobicContact CB-CE2 4.27Å; A179-Y184 WeakPolarHBondContact O-CE2 3.26Å
180	E	82.5	Confident	75.1	Confident	109 Å²	109	88.8 Å²	88.8	51%	0.509	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-20.4	177.6	55.3	165.8	-96.2	0	0	115.1	R164 P178	R164-E180 IonicContact CZ-OE1 2.63Å; R164-E180 PolarHBondContact NE-O 3.2Å; R164-E180 VanDerWaalsContact NE-O 3.11Å; R164-E180 PolarHBondContact NH1-O 3.04Å; R164-E180 IonicContact NH1-OE1 3.33Å; R164-E180 PolarHBondContact NH1-OE1 2.95Å; R164-E180 PolarHBondContact NH2-O 2.66Å; R164-E180 VanDerWaalsContact NH2-O 3.13Å; R164-E180 IonicContact NH2-OE1 3.4Å; P178-E180 HydrophobicContact CB-CG 4.06Å; P178-E180 PolarHBondContact O-N 3.41Å
181	F	80.5	Confident	72.3	Confident	14 Å²	14	87.6 Å²	87.6	6%	0.061	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.6	174.8	-69.1	-87.8	0	0	0	112.9	F10 I79 R164 Y166 L177 P178 A179	F10-F181 HydrophobicContact CB-CE1 3.85Å; F10-F181 HydrophobicContact CB-CE2 3.99Å; F10-F181 HydrophobicContact CB-CZ 3.47Å; F10-F181 VanDerWaalsContact CB-CZ 3.47Å; F10-F181 HydrophobicContact CD1-CD1 4.32Å; F10-F181 HydrophobicContact CD1-CE1 4.28Å; F10-F181 HydrophobicContact CD1-CZ 4.46Å; F10-F181 HydrophobicContact CD2-CE2 4.32Å; F10-F181 HydrophobicContact CG-CD2 4.45Å; F10-F181 HydrophobicContact CG-CE1 4.22Å; F10-F181 HydrophobicContact CG-CE2 4.09Å; F10-F181 AromaticContact CG-CZ 3.96Å; F10-F181 HydrophobicContact CG-CZ 3.96Å; I79-F181 WeakPolarHBondContact CD1-O 3.37Å; R164-F181 VanDerWaalsContact NH1-CD1 3.27Å; R164-F181 VanDerWaalsContact NH1-CE2 3.33Å; Y166-F181 AromaticContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CE1 4.14Å; Y166-F181 AromaticContact CD2-CD1 3.81Å; Y166-F181 HydrophobicContact CD2-CD1 3.81Å; Y166-F181 AromaticContact CD2-CE1 3.83Å; Y166-F181 HydrophobicContact CD2-CE1 3.83Å; Y166-F181 AromaticContact CE1-CD1 3.88Å; Y166-F181 HydrophobicContact CE1-CD1 3.88Å; Y166-F181 AromaticContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CE1 4.36Å; Y166-F181 AromaticContact CG-CD1 3.74Å; Y166-F181 HydrophobicContact CG-CD1 3.74Å; Y166-F181 AromaticContact CG-CE1 3.69Å; Y166-F181 HydrophobicContact CG-CE1 3.69Å; Y166-F181 AromaticContact CZ-CD1 3.92Å; L177-F181 HydrophobicContact CB-CB 4.48Å; L177-F181 HydrophobicContact CD2-CB 4.14Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 3.91Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 3.24Å; A179-F181 VanDerWaalsContact C-N 3.3Å; A179-F181 PolarHBondContact O-N 2.93Å
182	K	80.1	Confident	69.5	Low	48 Å²	48	93.5 Å²	93.5	21%	0.209	49%	0.486	C	S	.	.	S	Bend	trans	-75.4	151.1	175.7	-60.2	-164	-157.9	-160.2	0	111.7	E174 D175 L177 P178 A179 Y184	E174-K182 WeakPolarHBondContact O-CD 3.37Å; E174-K182 WeakPolarHBondContact O-CE 3.4Å; E174-K182 PolarHBondContact O-NZ 3.1Å; D175-K182 PolarHBondContact O-NZ 2.72Å; L177-K182 HydrophobicContact CB-CD 4.43Å; L177-K182 HydrophobicContact CB-CG 3.67Å; L177-K182 WeakPolarHBondContact O-CE 3.36Å; P178-K182 PolarHBondContact O-N 2.63Å; A179-K182 PolarHBondContact O-N 2.74Å; K182-Y184 HydrophobicContact CB-CD2 4.34Å; K182-Y184 HydrophobicContact CB-CE2 3.8Å
183	L	76.7	Confident	66.9	Low	46 Å²	46	104.2 Å²	104.2	24%	0.241	54%	0.538	C	S	.	.			trans	-97.8	108.4	168.8	-176.1	73.1	0	0	0	109.3	I42 I79 W129	I42-L183 HydrophobicContact CG2-CD1 3.78Å; I79-L183 HydrophobicContact CG2-CD1 3.99Å; W129-L183 HydrophobicContact CB-CD2 3.46Å; W129-L183 VanDerWaalsContact CB-CD2 3.46Å; W129-L183 HydrophobicContact CD2-CD1 4.43Å; W129-L183 HydrophobicContact CE3-CD1 4.5Å; W129-L183 HydrophobicContact CG-CD2 4.1Å
184	Y	73.7	Confident	65.9	Low	141 Å²	141	106.6 Å²	106.6	55%	0.553	55%	0.545	S	S	*	.			trans	-92.3	115.1	170.5	-63.2	-80.5	0	0	0	109.6	A179 K182	A179-Y184 HydrophobicContact CB-CE2 4.27Å; A179-Y184 WeakPolarHBondContact O-CE2 3.26Å; K182-Y184 HydrophobicContact CB-CD2 4.34Å; K182-Y184 HydrophobicContact CB-CE2 3.8Å
185	L	70.7	Confident	64.9	Low	102 Å²	102	107.7 Å²	107.7	53%	0.534	55%	0.553	S	S	.	*			trans	-88.1	120.9	163.2	-68	168.9	0	0	0	107.2	D41 I42 V187	D41-L185 HydrophobicContact CB-CD2 4.31Å; I42-L185 HydrophobicContact CG2-CD2 3.63Å; L185-V187 PolarHBondContact O-N 3.22Å
186	P	64	Low	63.8	Low	52 Å²	52	105.7 Å²	105.7	34%	0.338	54%	0.54	S	S	.	.			trans	-54	135.8	168.2	-17.1	30.4	0	0	0	109	D41 Q43 Q188	D41-P186 WeakPolarHBondContact O-CD 3.32Å; Q43-P186 HydrophobicContact CG-CG 4.18Å; P186-Q188 PolarHBondContact O-N 2.98Å
187	V	53.7	Low	62.5	Low	127 Å²	127	106.6 Å²	106.6	77%	0.77	55%	0.548	S	S	*	.			trans	-60.2	106.1	171.1	-178.4	0	0	0	0	106.9	L185 N189	L185-V187 PolarHBondContact O-N 3.22Å; V187-N189 PolarHBondContact O-N 3.29Å
188	Q	49.8	Very low	61	Low	146 Å²	146	112.8 Å²	112.8	68%	0.682	58%	0.579	S	S	*	*			trans	-65.5	105.1	166.7	-72.3	-177.1	-3.5	0	0	105.9	P186 K190	P186-Q188 PolarHBondContact O-N 2.98Å; Q188-K190 PolarHBondContact O-N 3.04Å
189	N	40.6	Very low	59.4	Low	149 Å²	149	116.8 Å²	116.8	80%	0.797	60%	0.595	S	S	*	*			trans	-55.7	99.5	161.9	-83.7	-18.4	0	0	0	105.8	V187 A191	V187-N189 PolarHBondContact O-N 3.29Å; N189-A191 PolarHBondContact O-N 2.88Å
190	K	35.8	Very low	57.8	Low	194 Å²	194	120.8 Å²	120.8	84%	0.843	60%	0.602	S	S	*	*			trans	-58.3	96.4	162.8	-80.8	-174	175.8	-178.6	0	105.1	Q188 K192	Q188-K190 PolarHBondContact O-N 3.04Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 2.72Å
191	A	34.7	Very low	55.9	Low	90 Å²	90	121.7 Å²	121.7	74%	0.744	61%	0.609	S	S	*	*			trans	-55.2	106.4	162.3	0	0	0	0	0	105.3	N189 Q193	N189-A191 PolarHBondContact O-N 2.88Å; A191-Q193 PolarHBondContact O-N 2.77Å
192	K	32.6	Very low	53.8	Low	209 Å²	209	130.7 Å²	130.7	91%	0.909	65%	0.654	S	S	*	*			trans	-59.8	105.5	161.3	-76.7	-180	173.2	-179.4	0	105.8	K190	K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 2.72Å
193	Q	33.6	Very low	51.4	Low	264 Å²	264	138.2 Å²	138.2	100%	1.234	70%	0.695	S	S	*	*			trans	-120.6	0	148	-77.6	-170.8	-0.3	0	0	106.7	A191	A191-Q193 PolarHBondContact O-N 2.77Å

Retrieved 193 of 193 residues in 960.6 ms (Link to these results)

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