A0A087Y2P5_POEFO Loading...

Metallo-beta-lactamase domain-containing protein 1

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

AlphaFold DB , UniProt , Accession A0A087Y2P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.1	Very low	64.9	Low	245 Å²	245	114.8 Å²	114.8	100%	1.207	62%	0.622	S	S	*	*				0	80.4	0	-81.5	166.2	67.2	0	0	108.5	A3	M1-A3 PolarHBondContact O-N 3.05Å
2	A	31.1	Very low	67.6	Low	99 Å²	99	108.7 Å²	108.7	82%	0.818	59%	0.593	S	S	*	*			trans	-75.7	120.3	170.1	0	0	0	0	0	107	V4	A2-V4 PolarHBondContact O-N 3.23Å; A2-V4 VanDerWaalsContact O-N 3.09Å
3	A	38	Very low	69.9	Low	97 Å²	97	100.8 Å²	100.8	80%	0.802	55%	0.55	S	S	*	.			trans	-57.6	113.7	168.5	0	0	0	0	0	107.3	M1 C5	M1-A3 PolarHBondContact O-N 3.05Å; A3-C5 VanDerWaalsContact C-N 3.3Å; A3-C5 PolarHBondContact O-N 2.79Å
4	V	47	Very low	71.8	Confident	126 Å²	126	97 Å²	97	76%	0.764	54%	0.535	S	S	*	.			trans	-63	104.7	163.4	178.8	0	0	0	0	104.2	A2 D6	A2-V4 PolarHBondContact O-N 3.23Å; A2-V4 VanDerWaalsContact O-N 3.09Å; V4-D6 VanDerWaalsContact C-N 3.33Å; V4-D6 PolarHBondContact O-N 2.57Å
5	C	45.7	Very low	73.2	Confident	101 Å²	101	98.3 Å²	98.3	68%	0.682	54%	0.54	S	S	*	.			trans	-62.4	105.2	165.7	-176.7	0	0	0	0	104.9	A3 R7	A3-C5 VanDerWaalsContact C-N 3.3Å; A3-C5 PolarHBondContact O-N 2.79Å; C5-R7 VanDerWaalsContact C-N 3.27Å; C5-R7 PolarHBondContact O-N 3.09Å
6	D	63.8	Low	74.5	Confident	128 Å²	128	100.1 Å²	100.1	68%	0.684	56%	0.555	S	S	*	*			trans	-64.6	92.4	179.8	-119.7	-9.1	0	0	0	107.3	V4 Y8 T216	V4-D6 VanDerWaalsContact C-N 3.33Å; V4-D6 PolarHBondContact O-N 2.57Å; D6-Y8 PolarHBondContact O-N 3.35Å; D6-T216 PolarHBondContact O-OG1 2.8Å
7	R	82.4	Confident	75.7	Confident	172 Å²	172	99.2 Å²	99.2	65%	0.649	55%	0.546	S	S	*	.			trans	-61.8	-13.3	-175.8	-75.1	-176.4	-176.6	178.8	1.1	113.2	C5 T216	C5-R7 VanDerWaalsContact C-N 3.27Å; C5-R7 PolarHBondContact O-N 3.09Å; R7-T216 WeakPolarHBondContact CA-OG1 3.42Å; R7-T216 PolarHBondContact O-N 3Å; R7-T216 PolarHBondContact O-OG1 3.02Å; R7-T216 VanDerWaalsContact O-OG1 3.07Å
8	Y	87.5	Confident	77	Confident	27 Å²	27	95.3 Å²	95.3	11%	0.106	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.5	-177.2	-41.4	-80.7	0	0	0	109.4	D6 L197 N198 V213 L214 K215	D6-Y8 PolarHBondContact O-N 3.35Å; Y8-L197 HydrophobicContact CD1-CB 4.41Å; Y8-L197 WeakPolarHBondContact CD1-O 3.2Å; Y8-L197 HydrophobicContact CD2-CB 4.03Å; Y8-L197 HydrophobicContact CD2-CD1 4.32Å; Y8-L197 WeakPolarHBondContact CE1-O 3.5Å; Y8-L197 HydrophobicContact CE2-CB 4.2Å; Y8-L197 HydrophobicContact CG-CB 4.16Å; Y8-N198 PolarHBondContact OH-ND2 2.92Å; Y8-N198 VanDerWaalsContact OH-ND2 3.14Å; Y8-N198 PolarHBondContact OH-OD1 2.81Å; Y8-V213 HydrophobicContact CD1-CG1 4.06Å; Y8-V213 HydrophobicContact CG-CG1 4.3Å; Y8-L214 CarbonylContact C-O 3.59Å; Y8-L214 VanDerWaalsContact CA-O 3.32Å; Y8-L214 WeakPolarHBondContact CA-O 3.25Å; Y8-K215 HydrophobicContact CD1-CG 4.28Å; Y8-K215 HydrophobicContact CE1-CG 4.44Å
9	R	92.4	Very high	78.1	Confident	166 Å²	166	95.4 Å²	95.4	63%	0.626	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.4	166.6	178.6	-179.1	177.1	-168.2	-0.4	109	V11 L214	R9-V11 HydrophobicContact CG-CG2 4.33Å; R9-L214 HydrophobicContact CB-CB 4.26Å; R9-L214 PolarHBondContact N-O 3.31Å; R9-L214 PolarHBondContact O-N 3.25Å
10	R	94.8	Very high	79.1	Confident	51 Å²	51	90.9 Å²	90.9	19%	0.192	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.6	173.7	-57	-178.5	-161.6	151.8	15	110	W173 D175 D176 F211 R212	R10-W173 WeakPolarHBondContact CD-O 3.29Å; R10-D175 IonicContact NH1-OD1 2.79Å; R10-D175 PolarHBondContact NH1-OD1 2.79Å; R10-D176 IonicContact CZ-OD1 3.23Å; R10-D176 VanDerWaalsContact CZ-OD1 3.23Å; R10-D176 IonicContact NH1-OD1 3.54Å; R10-D176 PolarHBondContact NH1-OD1 3.18Å; R10-D176 IonicContact NH1-OD2 3.57Å; R10-D176 IonicContact NH2-OD1 2.83Å; R10-D176 PolarHBondContact NH2-OD1 2.75Å; R10-F211 HydrophobicContact CB-CD2 4Å; R10-F211 HydrophobicContact CB-CE2 4.45Å; R10-F211 HydrophobicContact CG-CD2 4.05Å; R10-F211 HydrophobicContact CG-CE2 4Å; R10-R212 WeakPolarHBondContact CA-O 3.33Å
11	V	96.6	Very high	80.1	Confident	51 Å²	51	90.1 Å²	90.1	31%	0.309	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.6	176.9	-178	0	0	0	0	109	R9 F211 R212 L214	R9-V11 HydrophobicContact CG-CG2 4.33Å; V11-F211 CarbonylContact O-C 3.56Å; V11-F211 VanDerWaalsContact O-CA 3.3Å; V11-F211 WeakPolarHBondContact O-CA 3.4Å; V11-F211 WeakPolarHBondContact O-CB 3.41Å; V11-R212 HydrophobicContact CB-CB 4.37Å; V11-R212 PolarHBondContact N-O 3.25Å; V11-R212 PolarHBondContact O-N 3.01Å; V11-L214 HydrophobicContact CG2-CD1 3.69Å; V11-L214 HydrophobicContact CG2-CG 4.29Å
12	C	97.3	Very high	83	Confident	41 Å²	41	79 Å²	79	28%	0.277	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	136	175.8	-165.1	0	0	0	0	111	W173	C12-W173 HydrophobicContact CB-CB 4.34Å; C12-W173 HydrophobicContact CB-CD2 3.6Å; C12-W173 HydrophobicContact CB-CE3 4.08Å; C12-W173 HydrophobicContact CB-CG 3.71Å; C12-W173 HydrophobicContact CB-CZ2 4.43Å; C12-W173 VanDerWaalsContact SG-CD1 3.51Å
13	L	97.5	Very high	86	Confident	6 Å²	6	82 Å²	82	3%	0.031	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-91.6	155.9	171.8	-62.1	177.9	0	0	0	109.9	Q17 F20 V202 L209 P210 R212	L13-Q17 HydrophobicContact CB-CB 3.99Å; L13-F20 HydrophobicContact CD1-CE1 3.72Å; L13-F20 HydrophobicContact CD1-CZ 3.88Å; L13-V202 HydrophobicContact CD1-CG1 4.25Å; L13-V202 HydrophobicContact CD1-CG2 4.45Å; L13-L209 WeakPolarHBondContact O-CD1 3.44Å; L13-P210 VanDerWaalsContact CB-O 3.3Å; L13-P210 WeakPolarHBondContact CB-O 3.47Å; L13-P210 HydrophobicContact CD1-CB 4.1Å; L13-P210 PolarHBondContact N-O 2.98Å; L13-R212 HydrophobicContact CD1-CG 4.34Å; L13-R212 HydrophobicContact CD2-CG 3.96Å; L13-R212 HydrophobicContact CG-CG 4.39Å
14	S	96.1	Very high	88.9	Confident	48 Å²	48	79.2 Å²	79.2	34%	0.336	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-85.5	167.8	178.7	63.3	0	0	0	0	112.8	T16 Q17	S14-T16 PolarHBondContact O-N 2.78Å; S14-T16 PolarHBondContact OG-N 2.87Å; S14-T16 PolarHBondContact OG-OG1 2.53Å; S14-Q17 PolarHBondContact O-N 2.84Å; S14-Q17 PolarHBondContact OG-OE1 3.36Å
15	D	93.4	Very high	91.3	Very high	116 Å²	116	73.2 Å²	73.2	62%	0.62	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-11.3	171.8	-61.6	-55.5	0	0	0	113.9	L18 L209	D15-L18 WeakPolarHBondContact O-CD1 3.02Å; D15-L18 WeakPolarHBondContact O-CG 3.43Å; D15-L209 WeakPolarHBondContact OD1-CD2 3.31Å
16	T	93.3	Very high	93.8	Very high	127 Å²	127	70.1 Å²	70.1	78%	0.779	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	0.9	174.9	62.3	0	0	0	0	112.9	S14	S14-T16 PolarHBondContact O-N 2.78Å; S14-T16 PolarHBondContact OG-N 2.87Å; S14-T16 PolarHBondContact OG-OG1 2.53Å
17	Q	95.6	Very high	95.5	Very high	86 Å²	86	64 Å²	64	40%	0.402	33%	0.327	S	S	.	.			trans	-121.7	53.5	-176.5	-66.7	-177.9	-61.8	0	0	110.4	L13 S14 F20	L13-Q17 HydrophobicContact CB-CB 3.99Å; S14-Q17 PolarHBondContact O-N 2.84Å; S14-Q17 PolarHBondContact OG-OE1 3.36Å; Q17-F20 WeakPolarHBondContact O-CZ 3.32Å
18	L	98.2	Very high	96.3	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.147	30%	0.302	C	S	.	.			trans	-106.4	-3.2	-175.2	-64.1	-175.7	0	0	0	113.6	D15 S28 V29 V32 L209 P210	D15-L18 WeakPolarHBondContact O-CD1 3.02Å; D15-L18 WeakPolarHBondContact O-CG 3.43Å; L18-S28 CarbonylContact O-C 3.52Å; L18-S28 WeakPolarHBondContact O-CA 3.2Å; L18-V29 HydrophobicContact CB-CB 4.08Å; L18-V29 HydrophobicContact CD2-CB 4.06Å; L18-V29 HydrophobicContact CD2-CG1 4.26Å; L18-V29 HydrophobicContact CD2-CG2 4.42Å; L18-V29 HydrophobicContact CG-CB 4.46Å; L18-V29 PolarHBondContact O-N 2.93Å; L18-V32 HydrophobicContact CD1-CG2 3.82Å; L18-V32 HydrophobicContact CD2-CG2 3.72Å; L18-V32 HydrophobicContact CG-CG2 4.45Å; L18-L209 HydrophobicContact CD2-CD2 4.05Å; L18-P210 HydrophobicContact CD2-CG 3.97Å
19	D	98.4	Very high	96.8	Very high	98 Å²	98	55.5 Å²	55.5	52%	0.524	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	-179.8	-63.4	-69.6	0	0	0	110.4	P21 S28	D19-P21 WeakPolarHBondContact O-CD 3.4Å; D19-S28 VanDerWaalsContact OD1-CB 3.26Å; D19-S28 WeakPolarHBondContact OD1-CB 3.11Å; D19-S28 PolarHBondContact OD1-OG 3.14Å
20	F	98.6	Very high	97.1	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	80.4	-179.4	-48.9	-73.6	0	0	0	108.2	L13 Q17 S26 V27 V29 V160 V163 V202 I204 P210	L13-F20 HydrophobicContact CD1-CE1 3.72Å; L13-F20 HydrophobicContact CD1-CZ 3.88Å; Q17-F20 WeakPolarHBondContact O-CZ 3.32Å; F20-S26 WeakPolarHBondContact O-CA 3.35Å; F20-V27 HydrophobicContact CB-CB 4.23Å; F20-V27 HydrophobicContact CD2-CB 4.18Å; F20-V27 HydrophobicContact CD2-CG1 4.34Å; F20-V27 PolarHBondContact N-O 2.98Å; F20-V27 PolarHBondContact O-N 3.22Å; F20-V29 HydrophobicContact CE2-CG2 4.38Å; F20-V160 HydrophobicContact CB-CG2 4.08Å; F20-V160 HydrophobicContact CD1-CB 4.48Å; F20-V160 HydrophobicContact CD1-CG1 4.02Å; F20-V160 HydrophobicContact CD1-CG2 3.68Å; F20-V160 HydrophobicContact CG-CG2 4.15Å; F20-V163 HydrophobicContact CB-CG2 4.11Å; F20-V163 HydrophobicContact CG-CG2 4.2Å; F20-V202 HydrophobicContact CE1-CG1 3.94Å; F20-V202 HydrophobicContact CE1-CG2 4.33Å; F20-V202 HydrophobicContact CE2-CG1 4.38Å; F20-V202 HydrophobicContact CZ-CG1 3.83Å; F20-I204 HydrophobicContact CD2-CD1 4.37Å; F20-I204 HydrophobicContact CE2-CD1 3.97Å; F20-I204 HydrophobicContact CE2-CG1 4.28Å; F20-P210 HydrophobicContact CZ-CB 4.06Å; F20-P210 HydrophobicContact CZ-CG 4.35Å
21	P	98.4	Very high	97.3	Very high	74 Å²	74	47.1 Å²	47.1	48%	0.481	27%	0.268	S	S	.	.			trans	-65	147	-177.8	24.7	-31.8	0	0	0	110.6	D19 S26 S159	D19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-S26 WeakPolarHBondContact CA-OG 3.34Å; P21-S159 WeakPolarHBondContact CD-OG 3.27Å; P21-S159 WeakPolarHBondContact O-CB 3.29Å; P21-S159 PolarHBondContact O-N 2.81Å; P21-S159 PolarHBondContact O-OG 3.01Å
22	G	97.8	Very high	97.4	Very high	11 Å²	11	46.3 Å²	46.3	11%	0.113	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-160.8	179.3	178.7	0	0	0	0	0	112.4	Y25 S26	G22-Y25 CarbonylContact C-O 3.57Å; G22-Y25 WeakPolarHBondContact CA-O 3.34Å; G22-Y25 PolarHBondContact N-O 2.9Å; G22-S26 PolarHBondContact N-OG 3.48Å; G22-S26 VanDerWaalsContact N-OG 3.08Å; G22-S26 PolarHBondContact O-OG 2.92Å
23	Q	94.1	Very high	97.5	Very high	164 Å²	164	44.5 Å²	44.5	77%	0.766	25%	0.252	S	S	*	.	S	Bend	trans	-137.6	124	173.9	-69.7	-66.3	-55.5	0	0	108.5	G157	Q23-G157 PolarHBondContact N-O 3.48Å
24	P	97.4	Very high	97.5	Very high	37 Å²	37	47.4 Å²	47.4	24%	0.24	26%	0.263	C	S	.	.	S	Bend	cis	-82.2	-13.5	6.1	30.7	-31.8	0	0	0	114.8	G54 V55 H137	P24-G54 WeakPolarHBondContact O-CA 3.45Å; P24-V55 HydrophobicContact CB-CG2 3.96Å; P24-V55 HydrophobicContact CG-CG2 4.48Å; P24-H137 WeakPolarHBondContact CD-CD2 3.38Å; P24-H137 WeakPolarHBondContact CD-NE2 3.16Å; P24-H137 HydrophobicContact CG-CB 4.39Å; P24-H137 WeakPolarHBondContact CG-CD2 3.08Å
25	Y	98.7	Very high	97.6	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.263	C	S	.	.			trans	-109	141.4	-175.9	-68.3	-80.5	0	0	0	113.9	G22 I52 R53 M56 D135 H137 V138	G22-Y25 CarbonylContact C-O 3.57Å; G22-Y25 WeakPolarHBondContact CA-O 3.34Å; G22-Y25 PolarHBondContact N-O 2.9Å; Y25-I52 HydrophobicContact CD1-CG2 3.73Å; Y25-I52 HydrophobicContact CG-CG2 4.13Å; Y25-R53 CarbonylContact C-O 3.57Å; Y25-R53 VanDerWaalsContact CA-O 3.27Å; Y25-R53 WeakPolarHBondContact CA-O 3.27Å; Y25-M56 HydrophobicContact CE1-CG 4.12Å; Y25-M56 WeakPolarHBondContact CE1-O 3.47Å; Y25-D135 WeakPolarHBondContact CE2-OD2 3.3Å; Y25-D135 PolarHBondContact OH-OD2 2.85Å; Y25-H137 HydrophobicContact CD2-CB 3.75Å; Y25-H137 HydrophobicContact CE2-CB 4.04Å; Y25-V138 HydrophobicContact CD1-CG2 4.23Å; Y25-V138 HydrophobicContact CD2-CG2 3.59Å; Y25-V138 HydrophobicContact CE1-CG2 4.2Å; Y25-V138 HydrophobicContact CE2-CG2 3.58Å; Y25-V138 HydrophobicContact CG-CG2 3.92Å
26	S	98.8	Very high	97.7	Very high	35 Å²	35	45.3 Å²	45.3	25%	0.245	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.1	166.1	-61.1	0	0	0	0	109.7	F20 P21 G22 I52 R53	F20-S26 WeakPolarHBondContact O-CA 3.35Å; P21-S26 WeakPolarHBondContact CA-OG 3.34Å; G22-S26 PolarHBondContact N-OG 3.48Å; G22-S26 VanDerWaalsContact N-OG 3.08Å; G22-S26 PolarHBondContact O-OG 2.92Å; S26-I52 CarbonylContact O-C 3.6Å; S26-I52 WeakPolarHBondContact O-CA 3.14Å; S26-R53 PolarHBondContact N-O 2.86Å; S26-R53 PolarHBondContact O-N 2.9Å
27	V	98.9	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.8	179.4	-173.2	0	0	0	0	109.4	F20 T50 I52 V155 T158 V163 I204	F20-V27 HydrophobicContact CB-CB 4.23Å; F20-V27 HydrophobicContact CD2-CB 4.18Å; F20-V27 HydrophobicContact CD2-CG1 4.34Å; F20-V27 PolarHBondContact N-O 2.98Å; F20-V27 PolarHBondContact O-N 3.22Å; V27-T50 HydrophobicContact CG1-CG2 3.43Å; V27-T50 VanDerWaalsContact CG1-CG2 3.43Å; V27-I52 HydrophobicContact CG1-CG1 4.19Å; V27-I52 HydrophobicContact CG2-CG1 4.21Å; V27-I52 HydrophobicContact CG2-CG2 4.35Å; V27-V155 HydrophobicContact CG2-CB 3.89Å; V27-V155 HydrophobicContact CG2-CG1 3.78Å; V27-V155 HydrophobicContact CG2-CG2 3.95Å; V27-T158 HydrophobicContact CG2-CG2 4.19Å; V27-V163 HydrophobicContact CB-CG1 4.47Å; V27-V163 HydrophobicContact CG1-CG1 4.15Å; V27-V163 HydrophobicContact CG2-CB 4.36Å; V27-V163 HydrophobicContact CG2-CG1 4.44Å; V27-I204 HydrophobicContact CG1-CD1 3.87Å
28	S	98.8	Very high	97.8	Very high	16 Å²	16	42.9 Å²	42.9	11%	0.112	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.1	178.8	-69.1	0	0	0	0	110.6	L18 D19 L30 L51	L18-S28 CarbonylContact O-C 3.52Å; L18-S28 WeakPolarHBondContact O-CA 3.2Å; D19-S28 VanDerWaalsContact OD1-CB 3.26Å; D19-S28 WeakPolarHBondContact OD1-CB 3.11Å; D19-S28 PolarHBondContact OD1-OG 3.14Å; S28-L30 PolarHBondContact O-N 2.83Å; S28-L51 PolarHBondContact N-O 2.82Å; S28-L51 PolarHBondContact O-N 2.9Å
29	V	98.9	Very high	97.7	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	111.1	169.5	177.2	0	0	0	0	108.4	L18 F20 K31 V32 T48 I204 P210	L18-V29 HydrophobicContact CB-CB 4.08Å; L18-V29 HydrophobicContact CD2-CB 4.06Å; L18-V29 HydrophobicContact CD2-CG1 4.26Å; L18-V29 HydrophobicContact CD2-CG2 4.42Å; L18-V29 HydrophobicContact CG-CB 4.46Å; L18-V29 PolarHBondContact O-N 2.93Å; F20-V29 HydrophobicContact CE2-CG2 4.38Å; V29-K31 VanDerWaalsContact CG1-C 3.47Å; V29-K31 VanDerWaalsContact CG1-O 3.28Å; V29-K31 WeakPolarHBondContact CG1-O 3.38Å; V29-V32 HydrophobicContact CG1-CG2 4.02Å; V29-T48 HydrophobicContact CG1-CG2 3.93Å; V29-I204 HydrophobicContact CG2-CD1 3.79Å; V29-I204 HydrophobicContact CG2-CG1 4.06Å; V29-I204 HydrophobicContact CG2-CG2 3.95Å; V29-P210 HydrophobicContact CG2-CG 3.79Å
30	L	98.6	Very high	97.6	Very high	16 Å²	16	50 Å²	50	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-40.2	177.2	-59.9	-169.5	0	0	0	110.9	S28 I49 L51 L59 F70 L71 L75	S28-L30 PolarHBondContact O-N 2.83Å; L30-I49 HydrophobicContact CB-CB 4.3Å; L30-I49 HydrophobicContact CB-CG2 4.13Å; L30-I49 WeakPolarHBondContact CB-O 3.45Å; L30-I49 HydrophobicContact CD1-CG2 3.98Å; L30-I49 HydrophobicContact CG-CG2 4.36Å; L30-I49 PolarHBondContact N-O 2.75Å; L30-L51 HydrophobicContact CD1-CB 4Å; L30-L51 HydrophobicContact CD2-CB 3.81Å; L30-L51 HydrophobicContact CD2-CD2 4.18Å; L30-L51 HydrophobicContact CG-CB 3.83Å; L30-L59 HydrophobicContact CD1-CD1 4.01Å; L30-F70 WeakPolarHBondContact O-CZ 3.37Å; L30-L71 HydrophobicContact CD1-CD1 4.21Å; L30-L75 HydrophobicContact CD1-CD2 4.18Å
31	K	98.6	Very high	97.4	Very high	25 Å²	25	52.5 Å²	52.5	11%	0.109	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.4	177.8	173	175.3	174	174.3	0	109.6	V29 D46 T48 I49 D67 F70	V29-K31 VanDerWaalsContact CG1-C 3.47Å; V29-K31 VanDerWaalsContact CG1-O 3.28Å; V29-K31 WeakPolarHBondContact CG1-O 3.38Å; K31-D46 IonicContact NZ-OD2 3.36Å; K31-D46 PolarHBondContact NZ-OD2 3.4Å; K31-T48 WeakPolarHBondContact O-CA 3.11Å; K31-T48 WeakPolarHBondContact O-CG2 3.45Å; K31-I49 HydrophobicContact CB-CB 4.24Å; K31-I49 HydrophobicContact CB-CD1 4.42Å; K31-I49 HydrophobicContact CB-CG1 4.39Å; K31-I49 HydrophobicContact CD-CD1 4.37Å; K31-I49 PolarHBondContact N-O 2.88Å; K31-I49 PolarHBondContact O-N 2.98Å; K31-D67 WeakPolarHBondContact CD-OD2 3.36Å; K31-D67 WeakPolarHBondContact CE-OD2 3.46Å; K31-D67 IonicContact NZ-OD1 3.55Å; K31-D67 PolarHBondContact NZ-OD1 2.96Å; K31-D67 IonicContact NZ-OD2 3.5Å; K31-D67 PolarHBondContact NZ-OD2 2.85Å; K31-F70 HydrophobicContact CB-CE1 3.56Å; K31-F70 HydrophobicContact CB-CZ 3.75Å; K31-F70 HydrophobicContact CD-CD1 4.34Å; K31-F70 HydrophobicContact CD-CE1 4.09Å; K31-F70 HydrophobicContact CG-CE1 4.33Å; K31-F70 HydrophobicContact CG-CZ 4.45Å
32	V	98.8	Very high	97.3	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.206	31%	0.31	C	S	.	.			trans	-76.3	124.2	167.6	179.4	0	0	0	0	108.2	L18 V29 G208 L209	L18-V32 HydrophobicContact CD1-CG2 3.82Å; L18-V32 HydrophobicContact CD2-CG2 3.72Å; L18-V32 HydrophobicContact CG-CG2 4.45Å; V29-V32 HydrophobicContact CG1-CG2 4.02Å; V32-G208 VanDerWaalsContact CG1-C 3.46Å; V32-G208 WeakPolarHBondContact CG1-O 3.45Å; V32-L209 HydrophobicContact CG1-CD2 4.03Å; V32-L209 HydrophobicContact CG1-CG 3.99Å; V32-L209 HydrophobicContact CG2-CD2 3.84Å
33	G	98.6	Very high	97.1	Very high	3 Å²	3	58.2 Å²	58.2	3%	0.031	33%	0.333	C	S	.	.			trans	-66.9	164.9	174.2	0	0	0	0	0	111.9	D46 T48 H207 G208	G33-D46 CarbonylContact C-O 3.56Å; G33-D46 WeakPolarHBondContact CA-O 3.42Å; G33-T48 WeakPolarHBondContact CA-OG1 3.32Å; G33-T48 PolarHBondContact N-OG1 3.35Å; G33-H207 CarbonylContact O-C 3.58Å; G33-G208 WeakPolarHBondContact O-CA 3.31Å; G33-G208 PolarHBondContact O-N 3.31Å
34	Y	98.4	Very high	97.3	Very high	67 Å²	67	57.4 Å²	57.4	26%	0.263	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153.2	179.6	61.2	-88.3	0	0	0	110.8	V36 R44 A45 D46 H207	Y34-V36 HydrophobicContact CD2-CG2 4.1Å; Y34-R44 WeakPolarHBondContact CD2-O 3.24Å; Y34-R44 HydrophobicContact CE2-CB 4.18Å; Y34-A45 CarbonylContact O-C 3.12Å; Y34-A45 WeakPolarHBondContact O-CA 3.4Å; Y34-D46 HydrophobicContact CD1-CB 4.18Å; Y34-D46 HydrophobicContact CE1-CB 3.54Å; Y34-D46 PolarHBondContact N-O 2.99Å; Y34-D46 PolarHBondContact O-N 2.94Å; Y34-H207 PolarHBondContact O-ND1 3.09Å
35	C	96.9	Very high	97.3	Very high	50 Å²	50	57.1 Å²	57.1	34%	0.338	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	113.7	165.5	-178.5	0	0	0	0	108.1	R44 A45 E171 H207	C35-R44 CarbonylContact C-O 3.57Å; C35-R44 WeakPolarHBondContact CA-O 3.32Å; C35-A45 HydrophobicContact CB-CB 4.29Å; C35-E171 WeakPolarHBondContact CB-OE1 3.36Å; C35-H207 HydrophobicContact CB-CB 4Å
36	V	96.1	Very high	97.3	Very high	70 Å²	70	57 Å²	57	42%	0.424	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.2	-170.8	-177	0	0	0	0	110.3	Y34 Q38 F43 R44	Y34-V36 HydrophobicContact CD2-CG2 4.1Å; V36-Q38 PolarHBondContact O-NE2 3Å; V36-F43 WeakPolarHBondContact O-CA 3.34Å; V36-R44 PolarHBondContact N-O 2.77Å; V36-R44 PolarHBondContact O-N 3.31Å
37	P	94.5	Very high	97.3	Very high	90 Å²	90	55.4 Å²	55.4	58%	0.584	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	146.1	176.8	26.6	-33.7	0	0	0	111.7	F43	P37-F43 VanDerWaalsContact CA-CD1 3.49Å; P37-F43 HydrophobicContact CB-CD1 3.78Å; P37-F43 HydrophobicContact CB-CE1 3.7Å
38	Q	97.3	Very high	97.3	Very high	71 Å²	71	55.6 Å²	55.6	33%	0.332	31%	0.313	S	S	.	.			trans	-109	161.2	175.7	-54.5	-57	-63.2	0	0	110.4	V36 D40 G41 T42 R44	V36-Q38 PolarHBondContact O-NE2 3Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.25Å; Q38-D40 PolarHBondContact O-N 2.74Å; Q38-G41 PolarHBondContact O-N 3.05Å; Q38-T42 WeakPolarHBondContact CB-O 3.3Å; Q38-T42 WeakPolarHBondContact CB-OG1 3.3Å; Q38-T42 WeakPolarHBondContact CG-OG1 3.33Å; Q38-T42 PolarHBondContact N-O 3.1Å; Q38-R44 HydrophobicContact CG-CG 4.26Å
39	T	96.2	Very high	97.4	Very high	161 Å²	161	54.9 Å²	54.9	99%	0.988	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.2	-176.8	52.9	0	0	0	0	114.1
40	D	95.9	Very high	97.4	Very high	116 Å²	116	54.6 Å²	54.6	62%	0.62	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	6.3	178.8	64.8	-1.6	0	0	0	113.3	Q38 T42	Q38-D40 WeakPolarHBondContact CB-OD1 3.25Å; Q38-D40 PolarHBondContact O-N 2.74Å; D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 WeakPolarHBondContact OD1-CB 3.38Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.23Å; D40-T42 PolarHBondContact OD1-N 3.04Å; D40-T42 PolarHBondContact OD1-OG1 3.32Å
41	G	93.3	Very high	97.4	Very high	57 Å²	57	53.9 Å²	53.9	59%	0.588	30%	0.302	S	S	*	.	S	Bend	trans	83.7	1.4	-178	0	0	0	0	0	114.5	Q38 F43	Q38-G41 PolarHBondContact O-N 3.05Å; G41-F43 WeakPolarHBondContact O-CE2 3.4Å
42	T	96	Very high	97.4	Very high	72 Å²	72	52.7 Å²	52.7	44%	0.442	30%	0.297	S	S	.	.			trans	-83.1	173.1	168.7	69.6	0	0	0	0	111.2	Q38 D40	Q38-T42 WeakPolarHBondContact CB-O 3.3Å; Q38-T42 WeakPolarHBondContact CB-OG1 3.3Å; Q38-T42 WeakPolarHBondContact CG-OG1 3.33Å; Q38-T42 PolarHBondContact N-O 3.1Å; D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 WeakPolarHBondContact OD1-CB 3.38Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.23Å; D40-T42 PolarHBondContact OD1-N 3.04Å; D40-T42 PolarHBondContact OD1-OG1 3.32Å
43	F	95.2	Very high	97.4	Very high	133 Å²	133	55.2 Å²	55.2	58%	0.583	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.6	176.8	-55.8	-98.7	0	0	0	109.2	V36 P37 G41	V36-F43 WeakPolarHBondContact O-CA 3.34Å; P37-F43 VanDerWaalsContact CA-CD1 3.49Å; P37-F43 HydrophobicContact CB-CD1 3.78Å; P37-F43 HydrophobicContact CB-CE1 3.7Å; G41-F43 WeakPolarHBondContact O-CE2 3.4Å
44	R	97.7	Very high	97.3	Very high	147 Å²	147	57 Å²	57	56%	0.555	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.4	165.3	-71.3	-176.9	60.7	-147.8	-8.7	107.8	Y34 C35 V36 Q38	Y34-R44 WeakPolarHBondContact CD2-O 3.24Å; Y34-R44 HydrophobicContact CE2-CB 4.18Å; C35-R44 CarbonylContact C-O 3.57Å; C35-R44 WeakPolarHBondContact CA-O 3.32Å; V36-R44 PolarHBondContact N-O 2.77Å; V36-R44 PolarHBondContact O-N 3.31Å; Q38-R44 HydrophobicContact CG-CG 4.26Å
45	A	98.1	Very high	97.3	Very high	30 Å²	30	59 Å²	59	25%	0.248	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.8	180	0	0	0	0	0	111.8	Y34 C35	Y34-A45 CarbonylContact O-C 3.12Å; Y34-A45 WeakPolarHBondContact O-CA 3.4Å; C35-A45 HydrophobicContact CB-CB 4.29Å
46	D	98.7	Very high	97.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.1	162.8	-149.5	-9.4	0	0	0	111.1	K31 G33 Y34 G63 G64 W66 H207	K31-D46 IonicContact NZ-OD2 3.36Å; K31-D46 PolarHBondContact NZ-OD2 3.4Å; G33-D46 CarbonylContact C-O 3.56Å; G33-D46 WeakPolarHBondContact CA-O 3.42Å; Y34-D46 HydrophobicContact CD1-CB 4.18Å; Y34-D46 HydrophobicContact CE1-CB 3.54Å; Y34-D46 PolarHBondContact N-O 2.99Å; Y34-D46 PolarHBondContact O-N 2.94Å; D46-G63 WeakPolarHBondContact OD1-CA 3.46Å; D46-G64 PolarHBondContact OD1-N 2.94Å; D46-W66 VanDerWaalsContact CG-NE1 3.27Å; D46-W66 PolarHBondContact OD2-NE1 3.19Å; D46-H207 PolarHBondContact O-ND1 3.44Å
47	G	98.8	Very high	97.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.			trans	-76.7	151	-178.1	0	0	0	0	0	113.5	D96 G206	G47-D96 WeakPolarHBondContact CA-O 3.39Å; G47-D96 PolarHBondContact N-O 2.92Å; G47-G206 CarbonylContact C-O 3.36Å; G47-G206 WeakPolarHBondContact CA-O 3.26Å
48	T	98.9	Very high	97.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.031	29%	0.29	C	S	.	.			trans	-64.3	133.3	167.8	-68.2	0	0	0	0	110	V29 K31 G33 D61 I204 P205 G206	V29-T48 HydrophobicContact CG1-CG2 3.93Å; K31-T48 WeakPolarHBondContact O-CA 3.11Å; K31-T48 WeakPolarHBondContact O-CG2 3.45Å; G33-T48 WeakPolarHBondContact CA-OG1 3.32Å; G33-T48 PolarHBondContact N-OG1 3.35Å; T48-D61 WeakPolarHBondContact O-CB 3.29Å; T48-I204 HydrophobicContact CG2-CG2 3.43Å; T48-I204 VanDerWaalsContact CG2-CG2 3.43Å; T48-P205 VanDerWaalsContact CB-O 3.24Å; T48-P205 WeakPolarHBondContact CB-O 3.46Å; T48-P205 PolarHBondContact OG1-O 2.95Å; T48-G206 PolarHBondContact N-O 3.25Å; T48-G206 PolarHBondContact OG1-O 3.44Å
49	I	98.9	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.4	174.1	-57.3	173.5	0	0	0	108.5	L30 K31 L59 F70 L71	L30-I49 HydrophobicContact CB-CB 4.3Å; L30-I49 HydrophobicContact CB-CG2 4.13Å; L30-I49 WeakPolarHBondContact CB-O 3.45Å; L30-I49 HydrophobicContact CD1-CG2 3.98Å; L30-I49 HydrophobicContact CG-CG2 4.36Å; L30-I49 PolarHBondContact N-O 2.75Å; K31-I49 HydrophobicContact CB-CB 4.24Å; K31-I49 HydrophobicContact CB-CD1 4.42Å; K31-I49 HydrophobicContact CB-CG1 4.39Å; K31-I49 HydrophobicContact CD-CD1 4.37Å; K31-I49 PolarHBondContact N-O 2.88Å; K31-I49 PolarHBondContact O-N 2.98Å; I49-L59 HydrophobicContact CG2-CD1 3.87Å; I49-F70 HydrophobicContact CD1-CD1 4.47Å; I49-F70 HydrophobicContact CD1-CE1 4.46Å; I49-L71 HydrophobicContact CD1-CD1 4.41Å; I49-L71 HydrophobicContact CG2-CD1 4Å
50	T	98.9	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.7	-178.4	-56.1	0	0	0	0	111.7	V27 I52 V60 V165 I204	V27-T50 HydrophobicContact CG1-CG2 3.43Å; V27-T50 VanDerWaalsContact CG1-CG2 3.43Å; T50-I52 HydrophobicContact CG2-CG1 4.49Å; T50-V60 PolarHBondContact N-O 2.82Å; T50-V60 PolarHBondContact O-N 2.81Å; T50-V165 HydrophobicContact CG2-CG1 4.47Å; T50-V165 HydrophobicContact CG2-CG2 3.79Å; T50-I204 HydrophobicContact CG2-CD1 4.1Å
51	L	98.9	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.7	172.9	-179.6	69.5	0	0	0	109.4	S28 L30 R53 L59 L75 L80 I85	S28-L51 PolarHBondContact N-O 2.82Å; S28-L51 PolarHBondContact O-N 2.9Å; L30-L51 HydrophobicContact CD1-CB 4Å; L30-L51 HydrophobicContact CD2-CB 3.81Å; L30-L51 HydrophobicContact CD2-CD2 4.18Å; L30-L51 HydrophobicContact CG-CB 3.83Å; L51-R53 HydrophobicContact CD1-CG 4.4Å; L51-R53 HydrophobicContact CD2-CG 3.79Å; L51-R53 HydrophobicContact CG-CG 3.72Å; L51-L59 HydrophobicContact CD1-CD1 4.34Å; L51-L75 HydrophobicContact CD1-CD2 4.27Å; L51-L80 HydrophobicContact CD1-CD1 4.29Å; L51-L80 HydrophobicContact CD2-CD1 3.97Å; L51-I85 HydrophobicContact CD1-CD1 3.99Å
52	I	98.9	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	172.9	-53.5	159.5	0	0	0	107	Y25 S26 V27 T50 I58 V60 V153 V155	Y25-I52 HydrophobicContact CD1-CG2 3.73Å; Y25-I52 HydrophobicContact CG-CG2 4.13Å; S26-I52 CarbonylContact O-C 3.6Å; S26-I52 WeakPolarHBondContact O-CA 3.14Å; V27-I52 HydrophobicContact CG1-CG1 4.19Å; V27-I52 HydrophobicContact CG2-CG1 4.21Å; V27-I52 HydrophobicContact CG2-CG2 4.35Å; T50-I52 HydrophobicContact CG2-CG1 4.49Å; I52-I58 HydrophobicContact CB-CB 4.16Å; I52-I58 HydrophobicContact CD1-CG2 4.48Å; I52-I58 PolarHBondContact N-O 3.49Å; I52-I58 PolarHBondContact O-N 2.8Å; I52-V60 HydrophobicContact CD1-CG2 3.71Å; I52-V153 HydrophobicContact CD1-CG1 3.7Å; I52-V155 HydrophobicContact CD1-CG2 3.56Å; I52-V155 HydrophobicContact CG1-CG2 4.08Å; I52-V155 HydrophobicContact CG2-CG1 4.37Å; I52-V155 HydrophobicContact CG2-CG2 4.15Å
53	R	98.4	Very high	98.3	Very high	88 Å²	88	29.3 Å²	29.3	33%	0.332	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.8	-175	-57.1	-159.6	69.2	-175.7	1	111.4	Y25 S26 L51 D57 R78	Y25-R53 CarbonylContact C-O 3.57Å; Y25-R53 VanDerWaalsContact CA-O 3.27Å; Y25-R53 WeakPolarHBondContact CA-O 3.27Å; S26-R53 PolarHBondContact N-O 2.86Å; S26-R53 PolarHBondContact O-N 2.9Å; L51-R53 HydrophobicContact CD1-CG 4.4Å; L51-R53 HydrophobicContact CD2-CG 3.79Å; L51-R53 HydrophobicContact CG-CG 3.72Å; R53-D57 WeakPolarHBondContact CA-OD1 3.41Å; R53-D57 WeakPolarHBondContact CB-OD1 3.44Å; R53-D57 VanDerWaalsContact CG-OD1 3.24Å; R53-D57 WeakPolarHBondContact CG-OD1 3.4Å; R53-D57 IonicContact CZ-OD1 3.98Å; R53-D57 IonicContact CZ-OD2 3.19Å; R53-D57 IonicContact NE-OD1 3.65Å; R53-D57 PolarHBondContact NE-OD1 3.07Å; R53-D57 IonicContact NE-OD2 3.54Å; R53-D57 IonicContact NH2-OD1 3.25Å; R53-D57 IonicContact NH2-OD2 3.5Å; R53-D57 PolarHBondContact NH2-OD2 3.08Å; R53-R78 PolarHBondContact NH1-O 2.88Å
54	G	97.3	Very high	98.5	Very high	41 Å²	41	23 Å²	23	42%	0.423	12%	0.122	S	C	.	.	S	Bend	trans	177.7	-122.7	178.9	0	0	0	0	0	112.1	P24 M56	P24-G54 WeakPolarHBondContact O-CA 3.45Å; G54-M56 PolarHBondContact N-O 2.88Å; G54-M56 PolarHBondContact O-N 3.28Å
55	V	97.3	Very high	98.5	Very high	108 Å²	108	19.5 Å²	19.5	66%	0.655	12%	0.119	S	C	*	.	S	Bend	trans	-62.1	-30.6	173	177.6	0	0	0	0	111	P24	P24-V55 HydrophobicContact CB-CG2 3.96Å; P24-V55 HydrophobicContact CG-CG2 4.48Å
56	M	96.8	Very high	98.6	Very high	38 Å²	38	25.3 Å²	25.3	19%	0.187	13%	0.134	C	C	.	.	S	Bend	trans	-136.1	152.8	169.2	74.7	-166.9	-43.2	0	0	111.6	Y25 G54 I58 Q86 L87 V134	Y25-M56 HydrophobicContact CE1-CG 4.12Å; Y25-M56 WeakPolarHBondContact CE1-O 3.47Å; G54-M56 PolarHBondContact N-O 2.88Å; G54-M56 PolarHBondContact O-N 3.28Å; M56-I58 HydrophobicContact CG-CD1 3.72Å; M56-I58 HydrophobicContact CG-CG1 3.52Å; M56-I58 HydrophobicContact SD-CD1 3.91Å; M56-I58 HydrophobicContact SD-CG1 4.08Å; M56-Q86 HydrophobicContact CE-CB 4.08Å; M56-L87 HydrophobicContact CE-CB 4.31Å; M56-V134 HydrophobicContact CE-CG1 4.32Å; M56-V134 HydrophobicContact SD-CG1 3.31Å; M56-V134 WeakPolarHBondContact SD-CG1 3.45Å
57	D	98.6	Very high	98.5	Very high	22 Å²	22	26 Å²	26	12%	0.118	14%	0.138	C	C	.	.			trans	-92.9	118.9	172.8	-77.1	-42.5	0	0	0	109.6	R53 L80 I85 Q86	R53-D57 WeakPolarHBondContact CA-OD1 3.41Å; R53-D57 WeakPolarHBondContact CB-OD1 3.44Å; R53-D57 VanDerWaalsContact CG-OD1 3.24Å; R53-D57 WeakPolarHBondContact CG-OD1 3.4Å; R53-D57 IonicContact CZ-OD1 3.98Å; R53-D57 IonicContact CZ-OD2 3.19Å; R53-D57 IonicContact NE-OD1 3.65Å; R53-D57 PolarHBondContact NE-OD1 3.07Å; R53-D57 IonicContact NE-OD2 3.54Å; R53-D57 IonicContact NH2-OD1 3.25Å; R53-D57 IonicContact NH2-OD2 3.5Å; R53-D57 PolarHBondContact NH2-OD2 3.08Å; D57-L80 VanDerWaalsContact OD2-CD2 3.31Å; D57-L80 WeakPolarHBondContact OD2-CD2 3.43Å; D57-I85 HydrophobicContact CB-CD1 4.2Å; D57-Q86 PolarHBondContact O-N 3.12Å
58	I	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.2	-173.9	-48.4	172.1	0	0	0	109.3	I52 M56 V60 L87 V89 V134 V138	I52-I58 HydrophobicContact CB-CB 4.16Å; I52-I58 HydrophobicContact CD1-CG2 4.48Å; I52-I58 PolarHBondContact N-O 3.49Å; I52-I58 PolarHBondContact O-N 2.8Å; M56-I58 HydrophobicContact CG-CD1 3.72Å; M56-I58 HydrophobicContact CG-CG1 3.52Å; M56-I58 HydrophobicContact SD-CD1 3.91Å; M56-I58 HydrophobicContact SD-CG1 4.08Å; I58-V60 HydrophobicContact CG2-CG2 4.34Å; I58-L87 CarbonylContact C-O 3.46Å; I58-L87 WeakPolarHBondContact CA-O 3.49Å; I58-L87 HydrophobicContact CB-CB 4.46Å; I58-L87 HydrophobicContact CD1-CD2 4.23Å; I58-L87 HydrophobicContact CG1-CB 4.22Å; I58-L87 HydrophobicContact CG1-CD2 4.3Å; I58-L87 HydrophobicContact CG2-CB 4.05Å; I58-L87 HydrophobicContact CG2-CD2 3.88Å; I58-L87 HydrophobicContact CG2-CG 3.84Å; I58-V89 HydrophobicContact CG2-CG2 4.32Å; I58-V134 HydrophobicContact CD1-CG1 4.33Å; I58-V138 HydrophobicContact CD1-CB 4.37Å; I58-V138 HydrophobicContact CD1-CG1 3.79Å; I58-V138 HydrophobicContact CD1-CG2 4.26Å
59	L	98.9	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	172.1	-167	72	0	0	0	109.8	L30 I49 L51 D61 T62 L71 I85 L87 V88 V89 F104	L30-L59 HydrophobicContact CD1-CD1 4.01Å; I49-L59 HydrophobicContact CG2-CD1 3.87Å; L51-L59 HydrophobicContact CD1-CD1 4.34Å; L59-D61 WeakPolarHBondContact CG-O 3.36Å; L59-T62 HydrophobicContact CD2-CG2 4.02Å; L59-L71 HydrophobicContact CD1-CD1 4.35Å; L59-L71 HydrophobicContact CD2-CD1 4.16Å; L59-L71 HydrophobicContact CD2-CD2 4.2Å; L59-I85 HydrophobicContact CB-CG2 3.91Å; L59-L87 PolarHBondContact N-O 3.11Å; L59-V88 HydrophobicContact CB-CG2 4.35Å; L59-V88 CarbonylContact O-C 3.06Å; L59-V88 WeakPolarHBondContact O-CA 3.04Å; L59-V89 PolarHBondContact O-N 3.38Å; L59-F104 HydrophobicContact CD2-CD2 4.42Å; L59-F104 HydrophobicContact CD2-CE1 4Å; L59-F104 HydrophobicContact CD2-CE2 3.57Å; L59-F104 HydrophobicContact CD2-CZ 3.33Å
60	V	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.9	174.7	-170.4	0	0	0	0	108.6	T50 I52 I58 V89 T91 V153 V165	T50-V60 PolarHBondContact N-O 2.82Å; T50-V60 PolarHBondContact O-N 2.81Å; I52-V60 HydrophobicContact CD1-CG2 3.71Å; I58-V60 HydrophobicContact CG2-CG2 4.34Å; V60-V89 CarbonylContact C-O 3.59Å; V60-V89 WeakPolarHBondContact CA-O 3.38Å; V60-V89 HydrophobicContact CG1-CB 4.37Å; V60-V89 HydrophobicContact CG2-CB 4.43Å; V60-T91 HydrophobicContact CG1-CG2 3.87Å; V60-V153 HydrophobicContact CB-CG2 4.45Å; V60-V153 HydrophobicContact CG1-CB 4.47Å; V60-V153 HydrophobicContact CG1-CG2 3.84Å; V60-V153 HydrophobicContact CG2-CB 4.01Å; V60-V153 HydrophobicContact CG2-CG1 4.26Å; V60-V153 HydrophobicContact CG2-CG2 3.7Å; V60-V165 HydrophobicContact CB-CB 4.47Å; V60-V165 HydrophobicContact CB-CG1 3.96Å; V60-V165 HydrophobicContact CG1-CB 4.07Å; V60-V165 HydrophobicContact CG1-CG1 3.56Å
61	D	98.9	Very high	98.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.011	19%	0.194	C	C	.	.			trans	55.3	166	-165.9	-64.4	-24.9	0	0	0	113.6	T48 L59 V89 G90 T91 H97	T48-D61 WeakPolarHBondContact O-CB 3.29Å; L59-D61 WeakPolarHBondContact CG-O 3.36Å; D61-V89 PolarHBondContact N-O 3.42Å; D61-G90 WeakPolarHBondContact OD1-CA 3.47Å; D61-T91 PolarHBondContact OD1-N 2.93Å; D61-T91 PolarHBondContact OD1-OG1 2.91Å; D61-T91 VanDerWaalsContact OD1-OG1 3.05Å; D61-T91 WeakPolarHBondContact OD2-CG2 3.36Å; D61-T91 PolarHBondContact OD2-OG1 3.47Å; D61-H97 CarbonylContact C-O 3.15Å; D61-H97 HydrophobicContact CB-CB 4.31Å; D61-H97 IonicContact OD1-ND1 3.68Å; D61-H97 IonicContact OD2-CE1 3.36Å; D61-H97 IonicContact OD2-CG 2.88Å; D61-H97 IonicContact OD2-ND1 3.79Å; D61-H97 PolarHBondContact OD2-ND1 3.02Å
62	T	98.9	Very high	98.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.204	C	C	.	.			trans	-137.5	4	-168.8	66	0	0	0	0	113.4	L59 V88 H97 I98 G99 N100 L101 F104	L59-T62 HydrophobicContact CD2-CG2 4.02Å; T62-V88 HydrophobicContact CG2-CG1 3.86Å; T62-H97 PolarHBondContact N-O 3.09Å; T62-H97 PolarHBondContact OG1-O 3.45Å; T62-I98 VanDerWaalsContact OG1-C 3.31Å; T62-I98 WeakPolarHBondContact OG1-CA 3.26Å; T62-G99 PolarHBondContact OG1-N 3.05Å; T62-N100 PolarHBondContact O-ND2 2.78Å; T62-N100 PolarHBondContact OG1-N 3.29Å; T62-N100 VanDerWaalsContact OG1-N 3.11Å; T62-L101 HydrophobicContact CG2-CD2 4.09Å; T62-F104 HydrophobicContact CG2-CE2 4.12Å
63	G	98.8	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.			trans	68.1	-178.4	-173.2	0	0	0	0	0	112.4	D46 D96 G99	D46-G63 WeakPolarHBondContact OD1-CA 3.46Å; G63-D96 VanDerWaalsContact C-C 3.48Å; G63-D96 CarbonylContact C-O 3.58Å; G63-D96 WeakPolarHBondContact CA-O 3.5Å; G63-G99 VanDerWaalsContact O-CA 3.26Å; G63-G99 WeakPolarHBondContact O-CA 3.41Å; G63-G99 PolarHBondContact O-N 2.76Å
64	G	98.8	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.			trans	-73	165.2	171	0	0	0	0	0	113.6	D46 W66 D67 S95 D96 N100	D46-G64 PolarHBondContact OD1-N 2.94Å; G64-W66 PolarHBondContact O-N 3.04Å; G64-D67 VanDerWaalsContact O-CB 3.27Å; G64-D67 WeakPolarHBondContact O-CB 3.41Å; G64-D67 PolarHBondContact O-N 3.12Å; G64-S95 WeakPolarHBondContact CA-O 3.35Å; G64-D96 PolarHBondContact N-O 2.79Å; G64-N100 PolarHBondContact O-ND2 2.84Å
65	P	98.7	Very high	98.6	Very high	74 Å²	74	40 Å²	40	48%	0.481	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-57.6	-24.8	-179.9	-25.4	34.7	0	0	0	114.1	D67 R68	P65-D67 PolarHBondContact O-N 3.13Å; P65-R68 PolarHBondContact O-N 3.26Å
66	W	98.5	Very high	98.6	Very high	152 Å²	152	41.4 Å²	41.4	58%	0.576	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-69.4	-14.1	175.8	51.7	77.2	0	0	0	113.6	D46 G64 D96	D46-W66 VanDerWaalsContact CG-NE1 3.27Å; D46-W66 PolarHBondContact OD2-NE1 3.19Å; G64-W66 PolarHBondContact O-N 3.04Å; W66-D96 HydrophobicContact CH2-CB 4.32Å; W66-D96 HydrophobicContact CZ2-CB 4.11Å
67	D	98.4	Very high	98.7	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-91.8	1	-178.5	-116.6	26.5	0	0	0	113.9	K31 G64 P65 E69 F70 L71	K31-D67 WeakPolarHBondContact CD-OD2 3.36Å; K31-D67 WeakPolarHBondContact CE-OD2 3.46Å; K31-D67 IonicContact NZ-OD1 3.55Å; K31-D67 PolarHBondContact NZ-OD1 2.96Å; K31-D67 IonicContact NZ-OD2 3.5Å; K31-D67 PolarHBondContact NZ-OD2 2.85Å; G64-D67 VanDerWaalsContact O-CB 3.27Å; G64-D67 WeakPolarHBondContact O-CB 3.41Å; G64-D67 PolarHBondContact O-N 3.12Å; P65-D67 PolarHBondContact O-N 3.13Å; D67-E69 PolarHBondContact O-N 3.45Å; D67-F70 WeakPolarHBondContact O-CA 3.34Å; D67-F70 WeakPolarHBondContact O-CB 3.41Å; D67-F70 PolarHBondContact O-N 3.36Å; D67-L71 PolarHBondContact O-N 2.85Å
68	R	98.7	Very high	98.6	Very high	111 Å²	111	49.9 Å²	49.9	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-44.2	-56	-178.2	-174.9	-169.9	-177.3	-83.8	-7.2	113.3	P65 L71 L72 N100 L103	P65-R68 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 2.82Å; R68-L72 HydrophobicContact CG-CD1 4.3Å; R68-L72 WeakPolarHBondContact O-CG 3.46Å; R68-L72 PolarHBondContact O-N 2.96Å; R68-L72 VanDerWaalsContact O-N 3.12Å; R68-N100 VanDerWaalsContact CA-OD1 3.3Å; R68-N100 WeakPolarHBondContact CA-OD1 3.09Å; R68-N100 WeakPolarHBondContact CB-OD1 3.5Å; R68-L103 HydrophobicContact CG-CD1 4.12Å; R68-L103 HydrophobicContact CG-CD2 4.16Å
69	E	98.7	Very high	98.6	Very high	99 Å²	99	53.1 Å²	53.1	46%	0.463	25%	0.25	S	S	.	.	H	α-helix	trans	-66.7	-40.7	-177.7	-65.9	-52.3	133	0	0	111.3	D67 L71 L72 H73	D67-E69 PolarHBondContact O-N 3.45Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.13Å; E69-L72 PolarHBondContact O-N 3.36Å; E69-H73 WeakPolarHBondContact O-CB 3.27Å; E69-H73 PolarHBondContact O-N 2.78Å; E69-H73 PolarHBondContact O-ND1 2.83Å; E69-H73 IonicContact OE2-CE1 3.32Å
70	F	98.7	Very high	98.6	Very high	73 Å²	73	53.5 Å²	53.5	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-58.7	-46.5	177.5	169.5	-88.2	0	0	0	111.2	L30 K31 I49 D67 H73 S74	L30-F70 WeakPolarHBondContact O-CZ 3.37Å; K31-F70 HydrophobicContact CB-CE1 3.56Å; K31-F70 HydrophobicContact CB-CZ 3.75Å; K31-F70 HydrophobicContact CD-CD1 4.34Å; K31-F70 HydrophobicContact CD-CE1 4.09Å; K31-F70 HydrophobicContact CG-CE1 4.33Å; K31-F70 HydrophobicContact CG-CZ 4.45Å; I49-F70 HydrophobicContact CD1-CD1 4.47Å; I49-F70 HydrophobicContact CD1-CE1 4.46Å; D67-F70 WeakPolarHBondContact O-CA 3.34Å; D67-F70 WeakPolarHBondContact O-CB 3.41Å; D67-F70 PolarHBondContact O-N 3.36Å; F70-H73 PolarHBondContact O-N 3.36Å; F70-S74 WeakPolarHBondContact CZ-OG 3.05Å; F70-S74 VanDerWaalsContact O-CB 3.25Å; F70-S74 WeakPolarHBondContact O-CB 3.42Å; F70-S74 PolarHBondContact O-N 2.81Å; F70-S74 PolarHBondContact O-OG 2.84Å
71	L	98.8	Very high	98.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-50.3	-179.2	-180	51.5	0	0	0	111.3	L30 I49 L59 D67 R68 E69 H73 S74 L75 N100 L103 F104	L30-L71 HydrophobicContact CD1-CD1 4.21Å; I49-L71 HydrophobicContact CD1-CD1 4.41Å; I49-L71 HydrophobicContact CG2-CD1 4Å; L59-L71 HydrophobicContact CD1-CD1 4.35Å; L59-L71 HydrophobicContact CD2-CD1 4.16Å; L59-L71 HydrophobicContact CD2-CD2 4.2Å; D67-L71 PolarHBondContact O-N 2.85Å; R68-L71 PolarHBondContact O-N 2.82Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.13Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-H73 PolarHBondContact O-N 3.26Å; L71-S74 PolarHBondContact O-N 3.24Å; L71-S74 VanDerWaalsContact O-N 3.11Å; L71-L75 HydrophobicContact CD1-CD1 4.27Å; L71-L75 HydrophobicContact CD1-CG 4.22Å; L71-L75 HydrophobicContact CG-CD1 4.46Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.92Å; L71-N100 HydrophobicContact CD2-CB 4.03Å; L71-L103 HydrophobicContact CD2-CD1 4.3Å; L71-F104 HydrophobicContact CD2-CE2 3.88Å; L71-F104 HydrophobicContact CD2-CZ 3.84Å; L71-F104 HydrophobicContact CG-CZ 4.24Å
72	L	98.8	Very high	98.5	Very high	40 Å²	40	59.5 Å²	59.5	21%	0.209	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-46.6	177.1	-69.6	174.5	0	0	0	112	R68 E69 S74 K76 P82 L103	R68-L72 HydrophobicContact CG-CD1 4.3Å; R68-L72 WeakPolarHBondContact O-CG 3.46Å; R68-L72 PolarHBondContact O-N 2.96Å; R68-L72 VanDerWaalsContact O-N 3.12Å; E69-L72 PolarHBondContact O-N 3.36Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.26Å; L72-K76 WeakPolarHBondContact O-CB 3.44Å; L72-K76 PolarHBondContact O-N 2.82Å; L72-P82 HydrophobicContact CD2-CG 3.39Å; L72-L103 HydrophobicContact CD2-CD1 4.04Å; L72-L103 HydrophobicContact CG-CD1 4.08Å
73	H	98.8	Very high	98.5	Very high	104 Å²	104	62.3 Å²	62.3	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.8	-74.3	85.7	0	0	0	112.1	E69 F70 L71 K76 R77	E69-H73 WeakPolarHBondContact O-CB 3.27Å; E69-H73 PolarHBondContact O-N 2.78Å; E69-H73 PolarHBondContact O-ND1 2.83Å; E69-H73 IonicContact OE2-CE1 3.32Å; F70-H73 PolarHBondContact O-N 3.36Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-H73 PolarHBondContact O-N 3.26Å; H73-K76 PolarHBondContact O-N 2.82Å; H73-R77 WeakPolarHBondContact O-CG 3.37Å; H73-R77 PolarHBondContact O-N 3.08Å; H73-R77 PolarHBondContact O-NH1 2.88Å
74	S	98.5	Very high	98.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70	-35.3	-179.3	-69.7	0	0	0	0	113.3	F70 L71 L72 R77 R78	F70-S74 WeakPolarHBondContact CZ-OG 3.05Å; F70-S74 VanDerWaalsContact O-CB 3.25Å; F70-S74 WeakPolarHBondContact O-CB 3.42Å; F70-S74 PolarHBondContact O-N 2.81Å; F70-S74 PolarHBondContact O-OG 2.84Å; L71-S74 PolarHBondContact O-N 3.24Å; L71-S74 VanDerWaalsContact O-N 3.11Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.26Å; S74-R77 PolarHBondContact OG-NH2 3.42Å; S74-R78 PolarHBondContact O-NH1 3.28Å; S74-R78 VanDerWaalsContact O-NH1 3.09Å
75	L	98.8	Very high	98.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-48.4	170	-68	176.8	0	0	0	111.1	L30 L51 L71 R77 R78 G79 L80 I85 F104	L30-L75 HydrophobicContact CD1-CD2 4.18Å; L51-L75 HydrophobicContact CD1-CD2 4.27Å; L71-L75 HydrophobicContact CD1-CD1 4.27Å; L71-L75 HydrophobicContact CD1-CG 4.22Å; L71-L75 HydrophobicContact CG-CD1 4.46Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.92Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 2.87Å; L75-R78 CarbonylContact O-C 3.58Å; L75-R78 WeakPolarHBondContact O-CA 3.47Å; L75-R78 WeakPolarHBondContact O-CB 3.47Å; L75-R78 PolarHBondContact O-N 2.9Å; L75-G79 PolarHBondContact O-N 3.18Å; L75-L80 CarbonylContact C-O 3.54Å; L75-L80 HydrophobicContact CB-CB 4.22Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L75-L80 PolarHBondContact O-N 3.04Å; L75-L80 VanDerWaalsContact O-N 3.12Å; L75-I85 HydrophobicContact CD1-CG1 4.43Å; L75-I85 HydrophobicContact CD2-CD1 4.12Å; L75-F104 HydrophobicContact CD1-CE1 3.67Å; L75-F104 HydrophobicContact CD1-CZ 3.87Å
76	K	98.6	Very high	98.5	Very high	137 Å²	137	67.1 Å²	67.1	60%	0.596	33%	0.33	S	S	*	.	H	α-helix	trans	-58.8	-39	-179.7	-173.1	172.5	-174.5	169	0	113.3	L72 H73 R78 G79 L80	L72-K76 WeakPolarHBondContact O-CB 3.44Å; L72-K76 PolarHBondContact O-N 2.82Å; H73-K76 PolarHBondContact O-N 2.82Å; K76-R78 PolarHBondContact O-N 3.33Å; K76-R78 VanDerWaalsContact O-N 3.13Å; K76-G79 PolarHBondContact O-N 2.94Å; K76-L80 WeakPolarHBondContact CA-O 3.49Å; K76-L80 PolarHBondContact N-O 3.32Å
77	R	98.1	Very high	98.5	Very high	162 Å²	162	59.9 Å²	59.9	61%	0.611	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	174.1	-75.9	-165.6	-50.1	-80.8	2.2	113.4	H73 S74 L75	H73-R77 WeakPolarHBondContact O-CG 3.37Å; H73-R77 PolarHBondContact O-N 3.08Å; H73-R77 PolarHBondContact O-NH1 2.88Å; S74-R77 PolarHBondContact OG-NH2 3.42Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 2.87Å
78	R	97.4	Very high	98.5	Very high	76 Å²	76	59.2 Å²	59.2	29%	0.287	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9	177	-66.6	174.7	170.2	75.5	-2.2	112.8	R53 S74 L75 K76	R53-R78 PolarHBondContact NH1-O 2.88Å; S74-R78 PolarHBondContact O-NH1 3.28Å; S74-R78 VanDerWaalsContact O-NH1 3.09Å; L75-R78 CarbonylContact O-C 3.58Å; L75-R78 WeakPolarHBondContact O-CA 3.47Å; L75-R78 WeakPolarHBondContact O-CB 3.47Å; L75-R78 PolarHBondContact O-N 2.9Å; K76-R78 PolarHBondContact O-N 3.33Å; K76-R78 VanDerWaalsContact O-N 3.13Å
79	G	97.9	Very high	98.5	Very high	68 Å²	68	54 Å²	54	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	25.8	-179.7	0	0	0	0	0	113.6	L75 K76	L75-G79 PolarHBondContact O-N 3.18Å; K76-G79 PolarHBondContact O-N 2.94Å
80	L	98.4	Very high	98.5	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.042	26%	0.257	C	S	.	.			trans	-115.6	140.3	179.6	-65	171.5	0	0	0	110.9	L51 D57 L75 K76 D84 I85	L51-L80 HydrophobicContact CD1-CD1 4.29Å; L51-L80 HydrophobicContact CD2-CD1 3.97Å; D57-L80 VanDerWaalsContact OD2-CD2 3.31Å; D57-L80 WeakPolarHBondContact OD2-CD2 3.43Å; L75-L80 CarbonylContact C-O 3.54Å; L75-L80 HydrophobicContact CB-CB 4.22Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L75-L80 PolarHBondContact O-N 3.04Å; L75-L80 VanDerWaalsContact O-N 3.12Å; K76-L80 WeakPolarHBondContact CA-O 3.49Å; K76-L80 PolarHBondContact N-O 3.32Å; L80-D84 HydrophobicContact CD2-CB 3.79Å; L80-I85 HydrophobicContact CD1-CD1 4.24Å
81	E	98.3	Very high	98.5	Very high	104 Å²	104	45.8 Å²	45.8	49%	0.486	24%	0.242	S	C	.	.			trans	-103.8	160.9	164.1	-64.4	-67.5	153.2	0	0	109.2	G83 D84	E81-G83 PolarHBondContact O-N 2.78Å; E81-G83 VanDerWaalsContact O-N 3.1Å; E81-D84 PolarHBondContact N-OD2 3.49Å; E81-D84 WeakPolarHBondContact O-CB 3.31Å; E81-D84 PolarHBondContact O-N 2.85Å
82	P	98.5	Very high	98.5	Very high	23 Å²	23	45.9 Å²	45.9	15%	0.149	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56	-30.9	179.6	-27.4	35.6	0	0	0	114.4	L72 D84 I85 L103 F104	L72-P82 HydrophobicContact CD2-CG 3.39Å; P82-D84 PolarHBondContact O-N 3.21Å; P82-I85 PolarHBondContact O-N 3.22Å; P82-L103 WeakPolarHBondContact CB-O 3.44Å; P82-F104 HydrophobicContact CB-CD1 3.8Å; P82-F104 HydrophobicContact CB-CE1 3.82Å; P82-F104 WeakPolarHBondContact O-CD1 3.34Å
83	G	98.3	Very high	98.5	Very high	61 Å²	61	46.4 Å²	46.4	63%	0.629	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-69.9	-13.2	176.7	0	0	0	0	0	114.9	E81	E81-G83 PolarHBondContact O-N 2.78Å; E81-G83 VanDerWaalsContact O-N 3.1Å
84	D	98.3	Very high	98.5	Very high	75 Å²	75	45.2 Å²	45.2	40%	0.401	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-84.7	-17.2	176.8	-58.5	-44.5	0	0	0	112.2	L80 E81 P82 Q86	L80-D84 HydrophobicContact CD2-CB 3.79Å; E81-D84 PolarHBondContact N-OD2 3.49Å; E81-D84 WeakPolarHBondContact O-CB 3.31Å; E81-D84 PolarHBondContact O-N 2.85Å; P82-D84 PolarHBondContact O-N 3.21Å; D84-Q86 PolarHBondContact O-N 2.98Å
85	I	98.8	Very high	98.5	Very high	3 Å²	3	49 Å²	49	2%	0.015	28%	0.278	C	S	.	.			trans	-76	119.9	177.7	-56.1	-56.8	0	0	0	109.2	L51 D57 L59 L75 L80 P82 L87 V88 F104 A107	L51-I85 HydrophobicContact CD1-CD1 3.99Å; D57-I85 HydrophobicContact CB-CD1 4.2Å; L59-I85 HydrophobicContact CB-CG2 3.91Å; L75-I85 HydrophobicContact CD1-CG1 4.43Å; L75-I85 HydrophobicContact CD2-CD1 4.12Å; L80-I85 HydrophobicContact CD1-CD1 4.24Å; P82-I85 PolarHBondContact O-N 3.22Å; I85-L87 WeakPolarHBondContact CG2-O 3.31Å; I85-V88 HydrophobicContact CG2-CG2 3.75Å; I85-F104 HydrophobicContact CB-CD1 3.91Å; I85-F104 HydrophobicContact CB-CE1 4.25Å; I85-F104 HydrophobicContact CG1-CD1 3.93Å; I85-F104 HydrophobicContact CG1-CE1 3.76Å; I85-F104 HydrophobicContact CG2-CD1 4.35Å; I85-A107 WeakPolarHBondContact O-CB 3.26Å
86	Q	98.8	Very high	98.5	Very high	96 Å²	96	49.8 Å²	49.8	45%	0.449	28%	0.282	S	S	.	.			trans	-90.4	-27.6	-174.3	-66.4	160.1	-85.7	0	0	112.4	M56 D57 D84 L108	M56-Q86 HydrophobicContact CE-CB 4.08Å; D57-Q86 PolarHBondContact O-N 3.12Å; D84-Q86 PolarHBondContact O-N 2.98Å; Q86-L108 PolarHBondContact O-N 3.21Å
87	L	98.9	Very high	98.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.5	179.2	172.8	60.1	0	0	0	110.2	M56 I58 L59 I85 V89 L108 I110 V134	M56-L87 HydrophobicContact CE-CB 4.31Å; I58-L87 CarbonylContact C-O 3.46Å; I58-L87 WeakPolarHBondContact CA-O 3.49Å; I58-L87 HydrophobicContact CB-CB 4.46Å; I58-L87 HydrophobicContact CD1-CD2 4.23Å; I58-L87 HydrophobicContact CG1-CB 4.22Å; I58-L87 HydrophobicContact CG1-CD2 4.3Å; I58-L87 HydrophobicContact CG2-CB 4.05Å; I58-L87 HydrophobicContact CG2-CD2 3.88Å; I58-L87 HydrophobicContact CG2-CG 3.84Å; L59-L87 PolarHBondContact N-O 3.11Å; I85-L87 WeakPolarHBondContact CG2-O 3.31Å; L87-V89 HydrophobicContact CD1-CG2 4.02Å; L87-V89 HydrophobicContact CD2-CG2 4.06Å; L87-V89 HydrophobicContact CG-CG2 3.84Å; L87-L108 CarbonylContact C-O 3.58Å; L87-L108 VanDerWaalsContact CA-O 3.3Å; L87-L108 WeakPolarHBondContact CA-O 3.32Å; L87-L108 HydrophobicContact CD1-CB 4.12Å; L87-L108 HydrophobicContact CD1-CD2 4.08Å; L87-L108 HydrophobicContact CD1-CG 3.98Å; L87-L108 VanDerWaalsContact CD1-O 3.23Å; L87-L108 WeakPolarHBondContact CD1-O 3.26Å; L87-I110 HydrophobicContact CD1-CD1 3.94Å; L87-I110 HydrophobicContact CD1-CG1 3.9Å; L87-V134 HydrophobicContact CD2-CG1 3.97Å; L87-V134 HydrophobicContact CD2-CG2 3.83Å
88	V	98.9	Very high	98.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.8	168.8	-177.6	0	0	0	0	109	L59 T62 I85 L101 F104 A107 L108 T109 I110	L59-V88 HydrophobicContact CB-CG2 4.35Å; L59-V88 CarbonylContact O-C 3.06Å; L59-V88 WeakPolarHBondContact O-CA 3.04Å; T62-V88 HydrophobicContact CG2-CG1 3.86Å; I85-V88 HydrophobicContact CG2-CG2 3.75Å; V88-L101 HydrophobicContact CG1-CD2 3.6Å; V88-F104 HydrophobicContact CG2-CB 3.6Å; V88-F104 HydrophobicContact CG2-CD1 4.21Å; V88-F104 HydrophobicContact CG2-CD2 3.93Å; V88-F104 HydrophobicContact CG2-CG 3.65Å; V88-A107 HydrophobicContact CG2-CB 3.86Å; V88-L108 PolarHBondContact N-O 2.83Å; V88-T109 WeakPolarHBondContact O-CA 3.47Å; V88-I110 PolarHBondContact O-N 2.76Å
89	V	98.9	Very high	98.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.6	179	-174.4	0	0	0	0	109.1	I58 L59 V60 D61 L87 I110 V140 I151 V153	I58-V89 HydrophobicContact CG2-CG2 4.32Å; L59-V89 PolarHBondContact O-N 3.38Å; V60-V89 CarbonylContact C-O 3.59Å; V60-V89 WeakPolarHBondContact CA-O 3.38Å; V60-V89 HydrophobicContact CG1-CB 4.37Å; V60-V89 HydrophobicContact CG2-CB 4.43Å; D61-V89 PolarHBondContact N-O 3.42Å; L87-V89 HydrophobicContact CD1-CG2 4.02Å; L87-V89 HydrophobicContact CD2-CG2 4.06Å; L87-V89 HydrophobicContact CG-CG2 3.84Å; V89-I110 CarbonylContact C-O 3.58Å; V89-I110 VanDerWaalsContact CA-O 3.3Å; V89-I110 WeakPolarHBondContact CA-O 3.39Å; V89-I110 HydrophobicContact CG1-CB 4.4Å; V89-I110 HydrophobicContact CG2-CB 4.42Å; V89-V140 HydrophobicContact CG2-CG2 4.45Å; V89-I151 HydrophobicContact CG1-CD1 3.46Å; V89-I151 VanDerWaalsContact CG1-CD1 3.46Å; V89-I151 HydrophobicContact CG1-CG1 4.37Å; V89-V153 HydrophobicContact CB-CG2 4.03Å; V89-V153 HydrophobicContact CG1-CG2 3.7Å; V89-V153 HydrophobicContact CG2-CG2 4.16Å
90	G	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.4	164.6	0	0	0	0	0	109.7	D61 H92 I110 G112	D61-G90 WeakPolarHBondContact OD1-CA 3.47Å; G90-H92 PolarHBondContact O-N 3Å; G90-I110 PolarHBondContact N-O 2.92Å; G90-G112 PolarHBondContact O-N 2.98Å
91	T	98.9	Very high	98.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	21%	0.208	C	C	.	.	S	Bend	trans	-57.2	-37	-178.6	55.9	0	0	0	0	111.7	V60 D61 D150 I151	V60-T91 HydrophobicContact CG1-CG2 3.87Å; D61-T91 PolarHBondContact OD1-N 2.93Å; D61-T91 PolarHBondContact OD1-OG1 2.91Å; D61-T91 VanDerWaalsContact OD1-OG1 3.05Å; D61-T91 WeakPolarHBondContact OD2-CG2 3.36Å; D61-T91 PolarHBondContact OD2-OG1 3.47Å; T91-D150 WeakPolarHBondContact O-CA 3.32Å; T91-I151 WeakPolarHBondContact CB-O 3.4Å; T91-I151 WeakPolarHBondContact O-CG1 3.49Å; T91-I151 PolarHBondContact O-N 2.89Å
92	H	98.7	Very high	98.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	22%	0.216	C	C	.	.	S	Bend	trans	-161.1	176.7	172.7	66.8	-65.3	0	0	0	111.2	G90 H94 H97 I98 H146 S147 D150 D168	G90-H92 PolarHBondContact O-N 3Å; H92-H94 AromaticContact CD2-CE1 3.85Å; H92-H94 AromaticContact CD2-CG 3.39Å; H92-H94 AromaticContact CD2-ND1 3.26Å; H92-H94 PolarHBondContact CD2-ND1 3.45Å; H92-H94 VanDerWaalsContact CD2-ND1 3.26Å; H92-H94 VanDerWaalsContact NE2-CB 3.34Å; H92-H94 WeakPolarHBondContact NE2-CB 3.3Å; H92-H94 AromaticContact NE2-CE1 3.82Å; H92-H94 AromaticContact NE2-CG 3.26Å; H92-H94 VanDerWaalsContact NE2-CG 3.26Å; H92-H94 AromaticContact NE2-ND1 2.89Å; H92-H94 PolarHBondContact NE2-ND1 3.34Å; H92-H94 PolarHBondContact O-N 3.11Å; H92-H97 AromaticContact CE1-CD2 3.31Å; H92-H97 PolarHBondContact CE1-CD2 3.25Å; H92-H97 AromaticContact CE1-CE1 3.65Å; H92-H97 AromaticContact CE1-CG 3.44Å; H92-H97 VanDerWaalsContact CE1-CG 3.44Å; H92-H97 AromaticContact CE1-ND1 3.64Å; H92-H97 AromaticContact CE1-NE2 3.49Å; H92-H97 PolarHBondContact CE1-NE2 3.39Å; H92-H97 AromaticContact ND1-CG 3.91Å; H92-H97 AromaticContact NE2-CD2 3.84Å; H92-I98 VanDerWaalsContact O-CG2 3.27Å; H92-I98 WeakPolarHBondContact O-CG2 3.41Å; H92-H146 AromaticContact CD2-CD2 3.54Å; H92-H146 AromaticContact CD2-NE2 3.85Å; H92-H146 AromaticContact CE1-CD2 3.97Å; H92-H146 AromaticContact NE2-CD2 3.42Å; H92-H146 PolarHBondContact NE2-CD2 3.01Å; H92-H146 AromaticContact NE2-NE2 3.32Å; H92-H146 PolarHBondContact NE2-NE2 3.44Å; H92-S147 VanDerWaalsContact CB-OG 3.32Å; H92-S147 WeakPolarHBondContact CB-OG 3.25Å; H92-D150 WeakPolarHBondContact CB-OD1 3.34Å; H92-D150 IonicContact CG-OD1 3.96Å; H92-D168 VanDerWaalsContact CE1-CG 3.5Å; H92-D168 IonicContact CE1-OD1 2.78Å; H92-D168 IonicContact CE1-OD2 3.68Å; H92-D168 PolarHBondContact CE1-OD2 2.89Å; H92-D168 IonicContact NE2-OD2 3.73Å; H92-D168 PolarHBondContact NE2-OD2 3.13Å
93	G	98.4	Very high	98.7	Very high	50 Å²	50	34.5 Å²	34.5	52%	0.515	21%	0.214	S	C	.	.	S	Bend	trans	-86	12.2	-169.6	0	0	0	0	0	117.1
94	H	98.6	Very high	98.7	Very high	80 Å²	80	31.7 Å²	31.7	37%	0.37	19%	0.185	S	C	.	.			trans	-72.6	148.6	177.4	-69.1	159.8	0	0	0	112.2	H92 D96 H97 I98 H146	H92-H94 AromaticContact CD2-CE1 3.85Å; H92-H94 AromaticContact CD2-CG 3.39Å; H92-H94 AromaticContact CD2-ND1 3.26Å; H92-H94 PolarHBondContact CD2-ND1 3.45Å; H92-H94 VanDerWaalsContact CD2-ND1 3.26Å; H92-H94 VanDerWaalsContact NE2-CB 3.34Å; H92-H94 WeakPolarHBondContact NE2-CB 3.3Å; H92-H94 AromaticContact NE2-CE1 3.82Å; H92-H94 AromaticContact NE2-CG 3.26Å; H92-H94 VanDerWaalsContact NE2-CG 3.26Å; H92-H94 AromaticContact NE2-ND1 2.89Å; H92-H94 PolarHBondContact NE2-ND1 3.34Å; H92-H94 PolarHBondContact O-N 3.11Å; H94-D96 WeakPolarHBondContact CB-OD1 3.48Å; H94-D96 PolarHBondContact O-N 3.38Å; H94-D96 VanDerWaalsContact O-N 3.13Å; H94-H97 PolarHBondContact O-N 3.31Å; H94-I98 WeakPolarHBondContact O-CG1 3.14Å; H94-I98 PolarHBondContact O-N 2.89Å; H94-H146 AromaticContact CE1-CD2 3.84Å; H94-H146 AromaticContact CE1-CE1 3.88Å; H94-H146 AromaticContact CE1-NE2 3.26Å; H94-H146 PolarHBondContact CE1-NE2 2.92Å; H94-H146 VanDerWaalsContact CE1-NE2 3.26Å; H94-H146 AromaticContact ND1-CD2 3.96Å; H94-H146 AromaticContact ND1-NE2 3.24Å; H94-H146 PolarHBondContact ND1-NE2 3.44Å
95	S	98.6	Very high	98.7	Very high	78 Å²	78	32.9 Å²	32.9	55%	0.545	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.3	-167.5	50.4	0	0	0	0	114.3	G64 G99	G64-S95 WeakPolarHBondContact CA-O 3.35Å; S95-G99 WeakPolarHBondContact O-CA 3.47Å; S95-G99 PolarHBondContact O-N 2.96Å
96	D	98.8	Very high	98.6	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.102	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.5	-179.6	53.2	-28.9	0	0	0	114.3	G47 G63 G64 W66 H94 H207	G47-D96 WeakPolarHBondContact CA-O 3.39Å; G47-D96 PolarHBondContact N-O 2.92Å; G63-D96 VanDerWaalsContact C-C 3.48Å; G63-D96 CarbonylContact C-O 3.58Å; G63-D96 WeakPolarHBondContact CA-O 3.5Å; G64-D96 PolarHBondContact N-O 2.79Å; W66-D96 HydrophobicContact CH2-CB 4.32Å; W66-D96 HydrophobicContact CZ2-CB 4.11Å; H94-D96 WeakPolarHBondContact CB-OD1 3.48Å; H94-D96 PolarHBondContact O-N 3.38Å; H94-D96 VanDerWaalsContact O-N 3.13Å; D96-H207 IonicContact OD2-CE1 3.75Å; D96-H207 PolarHBondContact OD2-CE1 2.64Å; D96-H207 IonicContact OD2-NE2 2.76Å
97	H	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-34.7	172.5	-69.2	-102.1	0	0	0	111.8	D61 T62 H92 H94 D168 H207	D61-H97 CarbonylContact C-O 3.15Å; D61-H97 HydrophobicContact CB-CB 4.31Å; D61-H97 IonicContact OD1-ND1 3.68Å; D61-H97 IonicContact OD2-CE1 3.36Å; D61-H97 IonicContact OD2-CG 2.88Å; D61-H97 IonicContact OD2-ND1 3.79Å; D61-H97 PolarHBondContact OD2-ND1 3.02Å; T62-H97 PolarHBondContact N-O 3.09Å; T62-H97 PolarHBondContact OG1-O 3.45Å; H92-H97 AromaticContact CE1-CD2 3.31Å; H92-H97 PolarHBondContact CE1-CD2 3.25Å; H92-H97 AromaticContact CE1-CE1 3.65Å; H92-H97 AromaticContact CE1-CG 3.44Å; H92-H97 VanDerWaalsContact CE1-CG 3.44Å; H92-H97 AromaticContact CE1-ND1 3.64Å; H92-H97 AromaticContact CE1-NE2 3.49Å; H92-H97 PolarHBondContact CE1-NE2 3.39Å; H92-H97 AromaticContact ND1-CG 3.91Å; H92-H97 AromaticContact NE2-CD2 3.84Å; H94-H97 PolarHBondContact O-N 3.31Å; H97-D168 IonicContact CE1-OD1 3.63Å; H97-D168 PolarHBondContact CE1-OD1 3.11Å; H97-D168 IonicContact NE2-OD1 3.21Å; H97-D168 PolarHBondContact NE2-OD1 2.78Å; H97-D168 IonicContact NE2-OD2 3.24Å; H97-H207 AromaticContact NE2-CE1 3.65Å; H97-H207 AromaticContact NE2-NE2 3.67Å
98	I	98.8	Very high	98.6	Very high	46 Å²	46	34.4 Å²	34.4	24%	0.236	22%	0.216	C	C	.	.	S	Bend	trans	-113.3	14.9	-174.1	57	128.1	0	0	0	114	T62 H92 H94 N100 L101 V111	T62-I98 VanDerWaalsContact OG1-C 3.31Å; T62-I98 WeakPolarHBondContact OG1-CA 3.26Å; H92-I98 VanDerWaalsContact O-CG2 3.27Å; H92-I98 WeakPolarHBondContact O-CG2 3.41Å; H94-I98 WeakPolarHBondContact O-CG1 3.14Å; H94-I98 PolarHBondContact O-N 2.89Å; I98-N100 PolarHBondContact O-N 2.72Å; I98-N100 VanDerWaalsContact O-N 3.13Å; I98-L101 HydrophobicContact CB-CD1 3.71Å; I98-L101 HydrophobicContact CB-CG 3.95Å; I98-L101 HydrophobicContact CG2-CD1 3.97Å; I98-L101 HydrophobicContact CG2-CG 4.34Å; I98-L101 WeakPolarHBondContact O-CG 3.49Å; I98-L101 PolarHBondContact O-N 2.87Å; I98-V111 HydrophobicContact CG2-CG1 4.18Å; I98-V111 HydrophobicContact CG2-CG2 4.48Å
99	G	98.8	Very high	98.6	Very high	18 Å²	18	35.5 Å²	35.5	19%	0.186	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.7	-171.6	0	0	0	0	0	115.4	T62 G63 S95	T62-G99 PolarHBondContact OG1-N 3.05Å; G63-G99 VanDerWaalsContact O-CA 3.26Å; G63-G99 WeakPolarHBondContact O-CA 3.41Å; G63-G99 PolarHBondContact O-N 2.76Å; S95-G99 WeakPolarHBondContact O-CA 3.47Å; S95-G99 PolarHBondContact O-N 2.96Å
100	N	98.9	Very high	98.6	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	22.4	-176.8	-60	-76.3	0	0	0	114.1	T62 G64 R68 L71 I98 N102 L103	T62-N100 PolarHBondContact O-ND2 2.78Å; T62-N100 PolarHBondContact OG1-N 3.29Å; T62-N100 VanDerWaalsContact OG1-N 3.11Å; G64-N100 PolarHBondContact O-ND2 2.84Å; R68-N100 VanDerWaalsContact CA-OD1 3.3Å; R68-N100 WeakPolarHBondContact CA-OD1 3.09Å; R68-N100 WeakPolarHBondContact CB-OD1 3.5Å; L71-N100 HydrophobicContact CD2-CB 4.03Å; I98-N100 PolarHBondContact O-N 2.72Å; I98-N100 VanDerWaalsContact O-N 3.13Å; N100-N102 PolarHBondContact O-N 2.6Å; N100-N102 VanDerWaalsContact O-N 3.13Å; N100-L103 HydrophobicContact CB-CD1 3.78Å; N100-L103 HydrophobicContact CB-CG 4.11Å; N100-L103 WeakPolarHBondContact O-CB 3.34Å; N100-L103 WeakPolarHBondContact O-CG 3.46Å; N100-L103 PolarHBondContact O-N 2.56Å
101	L	98.7	Very high	98.5	Very high	43 Å²	43	37.1 Å²	37.1	23%	0.225	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-53	-34.5	175.5	-70.6	178.9	0	0	0	112.6	T62 V88 I98 L103 F104 T109 V111	T62-L101 HydrophobicContact CG2-CD2 4.09Å; V88-L101 HydrophobicContact CG1-CD2 3.6Å; I98-L101 HydrophobicContact CB-CD1 3.71Å; I98-L101 HydrophobicContact CB-CG 3.95Å; I98-L101 HydrophobicContact CG2-CD1 3.97Å; I98-L101 HydrophobicContact CG2-CG 4.34Å; I98-L101 WeakPolarHBondContact O-CG 3.49Å; I98-L101 PolarHBondContact O-N 2.87Å; L101-L103 PolarHBondContact O-N 3.28Å; L101-F104 PolarHBondContact O-N 3.32Å; L101-T109 HydrophobicContact CD2-CG2 4.47Å; L101-V111 HydrophobicContact CD1-CG2 3.67Å; L101-V111 HydrophobicContact CD2-CG2 4.4Å
102	N	98.4	Very high	98.4	Very high	124 Å²	124	37.2 Å²	37.2	66%	0.663	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-62.6	-13.3	-180	71.6	-44.1	0	0	0	114.6	N100 F104	N100-N102 PolarHBondContact O-N 2.6Å; N100-N102 VanDerWaalsContact O-N 3.13Å; N102-F104 VanDerWaalsContact C-N 3.26Å
103	L	98.8	Very high	98.3	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.11	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-74.3	-17.9	174.5	-61.5	-178.4	0	0	0	112.7	R68 L71 L72 P82 N100 L101 P105	R68-L103 HydrophobicContact CG-CD1 4.12Å; R68-L103 HydrophobicContact CG-CD2 4.16Å; L71-L103 HydrophobicContact CD2-CD1 4.3Å; L72-L103 HydrophobicContact CD2-CD1 4.04Å; L72-L103 HydrophobicContact CG-CD1 4.08Å; P82-L103 WeakPolarHBondContact CB-O 3.44Å; N100-L103 HydrophobicContact CB-CD1 3.78Å; N100-L103 HydrophobicContact CB-CG 4.11Å; N100-L103 WeakPolarHBondContact O-CB 3.34Å; N100-L103 WeakPolarHBondContact O-CG 3.46Å; N100-L103 PolarHBondContact O-N 2.56Å; L101-L103 PolarHBondContact O-N 3.28Å; L103-P105 WeakPolarHBondContact O-CD 3.39Å
104	F	98.7	Very high	98.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	24%	0.237	C	C	.	.			trans	-119.7	53.7	-170.4	-50.4	-81.3	0	0	0	112.8	L59 T62 L71 L75 P82 I85 V88 L101 N102 S106 A107	L59-F104 HydrophobicContact CD2-CD2 4.42Å; L59-F104 HydrophobicContact CD2-CE1 4Å; L59-F104 HydrophobicContact CD2-CE2 3.57Å; L59-F104 HydrophobicContact CD2-CZ 3.33Å; T62-F104 HydrophobicContact CG2-CE2 4.12Å; L71-F104 HydrophobicContact CD2-CE2 3.88Å; L71-F104 HydrophobicContact CD2-CZ 3.84Å; L71-F104 HydrophobicContact CG-CZ 4.24Å; L75-F104 HydrophobicContact CD1-CE1 3.67Å; L75-F104 HydrophobicContact CD1-CZ 3.87Å; P82-F104 HydrophobicContact CB-CD1 3.8Å; P82-F104 HydrophobicContact CB-CE1 3.82Å; P82-F104 WeakPolarHBondContact O-CD1 3.34Å; I85-F104 HydrophobicContact CB-CD1 3.91Å; I85-F104 HydrophobicContact CB-CE1 4.25Å; I85-F104 HydrophobicContact CG1-CD1 3.93Å; I85-F104 HydrophobicContact CG1-CE1 3.76Å; I85-F104 HydrophobicContact CG2-CD1 4.35Å; V88-F104 HydrophobicContact CG2-CB 3.6Å; V88-F104 HydrophobicContact CG2-CD1 4.21Å; V88-F104 HydrophobicContact CG2-CD2 3.93Å; V88-F104 HydrophobicContact CG2-CG 3.65Å; L101-F104 PolarHBondContact O-N 3.32Å; N102-F104 VanDerWaalsContact C-N 3.26Å; F104-S106 PolarHBondContact O-N 3.42Å; F104-S106 VanDerWaalsContact O-N 3.09Å; F104-A107 HydrophobicContact CB-CB 4.15Å; F104-A107 PolarHBondContact O-N 2.89Å
105	P	97.8	Very high	98.3	Very high	101 Å²	101	36.5 Å²	36.5	66%	0.656	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.2	-170.5	29.5	-37.8	0	0	0	114.7	L103	L103-P105 WeakPolarHBondContact O-CD 3.39Å
106	S	96.5	Very high	98.3	Very high	102 Å²	102	33.4 Å²	33.4	71%	0.713	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.2	-179.3	-53.7	0	0	0	0	113.7	F104	F104-S106 PolarHBondContact O-N 3.42Å; F104-S106 VanDerWaalsContact O-N 3.09Å
107	A	98.6	Very high	98.2	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	21%	0.211	C	C	.	.	S	Bend	trans	-79.6	147.8	-176.4	0	0	0	0	0	111.3	I85 V88 F104 T109	I85-A107 WeakPolarHBondContact O-CB 3.26Å; V88-A107 HydrophobicContact CG2-CB 3.86Å; F104-A107 HydrophobicContact CB-CB 4.15Å; F104-A107 PolarHBondContact O-N 2.89Å; A107-T109 PolarHBondContact O-N 3.24Å; A107-T109 PolarHBondContact O-OG1 3.26Å
108	L	98.8	Very high	98.1	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.141	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	127.7	157.3	179	68	0	0	0	107	Q86 L87 V88 I115 E117	Q86-L108 PolarHBondContact O-N 3.21Å; L87-L108 CarbonylContact C-O 3.58Å; L87-L108 VanDerWaalsContact CA-O 3.3Å; L87-L108 WeakPolarHBondContact CA-O 3.32Å; L87-L108 HydrophobicContact CD1-CB 4.12Å; L87-L108 HydrophobicContact CD1-CD2 4.08Å; L87-L108 HydrophobicContact CD1-CG 3.98Å; L87-L108 VanDerWaalsContact CD1-O 3.23Å; L87-L108 WeakPolarHBondContact CD1-O 3.26Å; V88-L108 PolarHBondContact N-O 2.83Å; L108-I115 HydrophobicContact CD1-CG2 3.7Å; L108-I115 HydrophobicContact CG-CG2 4.38Å; L108-E117 HydrophobicContact CB-CG 4.16Å; L108-E117 HydrophobicContact CD1-CG 3.65Å
109	T	98.8	Very high	98	Very high	25 Å²	25	43.8 Å²	43.8	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.6	-175.7	-62.9	0	0	0	0	109.4	V88 L101 A107 V111 I115 S116	V88-T109 WeakPolarHBondContact O-CA 3.47Å; L101-T109 HydrophobicContact CD2-CG2 4.47Å; A107-T109 PolarHBondContact O-N 3.24Å; A107-T109 PolarHBondContact O-OG1 3.26Å; T109-V111 HydrophobicContact CG2-CG2 3.83Å; T109-I115 CarbonylContact O-C 3.57Å; T109-I115 WeakPolarHBondContact O-CA 3.38Å; T109-S116 PolarHBondContact N-O 3.23Å; T109-S116 PolarHBondContact O-N 3.15Å
110	I	98.8	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.8	171.9	-54.6	-179.7	0	0	0	107.9	L87 V88 V89 G90 D114 I115 L126 Y132 V140 I151	L87-I110 HydrophobicContact CD1-CD1 3.94Å; L87-I110 HydrophobicContact CD1-CG1 3.9Å; V88-I110 PolarHBondContact O-N 2.76Å; V89-I110 CarbonylContact C-O 3.58Å; V89-I110 VanDerWaalsContact CA-O 3.3Å; V89-I110 WeakPolarHBondContact CA-O 3.39Å; V89-I110 HydrophobicContact CG1-CB 4.4Å; V89-I110 HydrophobicContact CG2-CB 4.42Å; G90-I110 PolarHBondContact N-O 2.92Å; I110-D114 CarbonylContact C-O 3.12Å; I110-D114 VanDerWaalsContact CA-O 3.25Å; I110-D114 WeakPolarHBondContact CA-O 3.32Å; I110-I115 HydrophobicContact CD1-CD1 4.21Å; I110-I115 HydrophobicContact CD1-CG1 4.32Å; I110-I115 HydrophobicContact CG1-CB 4.45Å; I110-I115 HydrophobicContact CG1-CD1 4.43Å; I110-I115 HydrophobicContact CG1-CG1 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.17Å; I110-I115 HydrophobicContact CG2-CG1 4.2Å; I110-L126 HydrophobicContact CG2-CD1 4.29Å; I110-Y132 HydrophobicContact CD1-CD1 3.97Å; I110-Y132 HydrophobicContact CD1-CE1 3.93Å; I110-V140 HydrophobicContact CD1-CG2 4.02Å; I110-V140 HydrophobicContact CG2-CG1 4.47Å; I110-I151 HydrophobicContact CB-CD1 4.48Å; I110-I151 HydrophobicContact CG2-CD1 3.53Å
111	V	98.5	Very high	97.9	Very high	34 Å²	34	53.7 Å²	53.7	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.4	174.8	179.2	0	0	0	0	108.4	I98 L101 T109 Y113 D114	I98-V111 HydrophobicContact CG2-CG1 4.18Å; I98-V111 HydrophobicContact CG2-CG2 4.48Å; L101-V111 HydrophobicContact CD1-CG2 3.67Å; L101-V111 HydrophobicContact CD2-CG2 4.4Å; T109-V111 HydrophobicContact CG2-CG2 3.83Å; V111-Y113 PolarHBondContact O-N 2.81Å; V111-Y113 VanDerWaalsContact O-N 3.08Å; V111-D114 PolarHBondContact N-O 2.94Å; V111-D114 PolarHBondContact O-N 2.94Å
112	G	95.3	Very high	97.9	Very high	4 Å²	4	57.4 Å²	57.4	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-114.8	-168.1	0	0	0	0	0	111.1	G90 Q149 I151	G90-G112 PolarHBondContact O-N 2.98Å; G112-Q149 WeakPolarHBondContact CA-O 3.34Å; G112-I151 WeakPolarHBondContact O-CD1 3.32Å; G112-I151 VanDerWaalsContact O-CG2 3.26Å; G112-I151 WeakPolarHBondContact O-CG2 3.35Å
113	Y	97.7	Very high	97.8	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.114	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.7	-179.5	-56.5	-24.2	0	0	0	114.5	V111 N124 L126 A127 P142 P144 Q149 I151	V111-Y113 PolarHBondContact O-N 2.81Å; V111-Y113 VanDerWaalsContact O-N 3.08Å; Y113-N124 PolarHBondContact O-ND2 2.86Å; Y113-L126 HydrophobicContact CD1-CB 3.62Å; Y113-L126 HydrophobicContact CE1-CB 4.32Å; Y113-L126 HydrophobicContact CG-CB 4.06Å; Y113-A127 HydrophobicContact CD2-CB 3.68Å; Y113-A127 HydrophobicContact CE2-CB 4.23Å; Y113-A127 HydrophobicContact CG-CB 4.27Å; Y113-P142 HydrophobicContact CE1-CB 4.25Å; Y113-P144 WeakPolarHBondContact OH-CB 3.47Å; Y113-Q149 HydrophobicContact CD2-CB 3.98Å; Y113-Q149 HydrophobicContact CD2-CG 3.83Å; Y113-Q149 HydrophobicContact CE1-CB 4.49Å; Y113-Q149 WeakPolarHBondContact CE1-O 3.07Å; Y113-Q149 HydrophobicContact CE2-CB 3.95Å; Y113-Q149 HydrophobicContact CE2-CG 3.86Å; Y113-Q149 HydrophobicContact CG-CB 4.29Å; Y113-I151 HydrophobicContact CD1-CG2 3.84Å; Y113-I151 HydrophobicContact CE1-CG2 3.74Å
114	D	98.4	Very high	97.8	Very high	86 Å²	86	58.8 Å²	58.8	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.8	177.7	-69.3	-32.5	0	0	0	110.5	I110 V111 Y121	I110-D114 CarbonylContact C-O 3.12Å; I110-D114 VanDerWaalsContact CA-O 3.25Å; I110-D114 WeakPolarHBondContact CA-O 3.32Å; V111-D114 PolarHBondContact N-O 2.94Å; V111-D114 PolarHBondContact O-N 2.94Å; D114-Y121 HydrophobicContact CB-CD1 4.17Å; D114-Y121 HydrophobicContact CB-CE1 3.96Å
115	I	98.6	Very high	97.7	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	172.6	-54.7	-171.1	0	0	0	107.8	L108 T109 I110 Y121 R122 N124 L126 Y132	L108-I115 HydrophobicContact CD1-CG2 3.7Å; L108-I115 HydrophobicContact CG-CG2 4.38Å; T109-I115 CarbonylContact O-C 3.57Å; T109-I115 WeakPolarHBondContact O-CA 3.38Å; I110-I115 HydrophobicContact CD1-CD1 4.21Å; I110-I115 HydrophobicContact CD1-CG1 4.32Å; I110-I115 HydrophobicContact CG1-CB 4.45Å; I110-I115 HydrophobicContact CG1-CD1 4.43Å; I110-I115 HydrophobicContact CG1-CG1 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.17Å; I110-I115 HydrophobicContact CG2-CG1 4.2Å; I115-Y121 CarbonylContact O-C 3.47Å; I115-Y121 WeakPolarHBondContact O-CA 3.48Å; I115-R122 HydrophobicContact CB-CB 4.43Å; I115-R122 HydrophobicContact CG2-CB 4.26Å; I115-R122 PolarHBondContact O-N 2.91Å; I115-N124 HydrophobicContact CD1-CB 3.64Å; I115-N124 HydrophobicContact CG1-CB 4.24Å; I115-L126 HydrophobicContact CD1-CD1 4.12Å; I115-L126 HydrophobicContact CG1-CD1 4.24Å; I115-Y132 HydrophobicContact CD1-CD1 4.31Å; I115-Y132 HydrophobicContact CD1-CD2 3.4Å; I115-Y132 HydrophobicContact CD1-CE1 4.34Å; I115-Y132 HydrophobicContact CD1-CE2 3.43Å; I115-Y132 VanDerWaalsContact CD1-CE2 3.43Å; I115-Y132 HydrophobicContact CD1-CG 3.86Å
116	S	98.4	Very high	97.7	Very high	13 Å²	13	59 Å²	59	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.7	-175.1	60.1	0	0	0	0	113.6	T109 T120	T109-S116 PolarHBondContact N-O 3.23Å; T109-S116 PolarHBondContact O-N 3.15Å; S116-T120 VanDerWaalsContact CA-O 3.25Å; S116-T120 WeakPolarHBondContact CA-O 3.29Å
117	E	97.3	Very high	97.7	Very high	81 Å²	81	57.3 Å²	57.3	38%	0.379	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.3	162.3	-75.8	163	124.3	0	0	108	L108 D119 T120 R122	L108-E117 HydrophobicContact CB-CG 4.16Å; L108-E117 HydrophobicContact CD1-CG 3.65Å; E117-D119 PolarHBondContact O-N 3.19Å; E117-T120 PolarHBondContact N-O 2.81Å; E117-T120 PolarHBondContact O-N 3.37Å; E117-R122 IonicContact OE1-NH2 3.62Å; E117-R122 IonicContact OE2-CZ 3Å; E117-R122 IonicContact OE2-NE 2.8Å; E117-R122 PolarHBondContact OE2-NE 3.36Å; E117-R122 IonicContact OE2-NH2 2.57Å; E117-R122 PolarHBondContact OE2-NH2 2.85Å
118	G	95.3	Very high	97.7	Very high	57 Å²	57	63.6 Å²	63.6	59%	0.588	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-121.8	-169.7	0	0	0	0	0	111.2
119	D	96.4	Very high	97.6	Very high	145 Å²	145	64.8 Å²	64.8	78%	0.775	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.1	178.1	63.3	-6.4	0	0	0	113.7	E117	E117-D119 PolarHBondContact O-N 3.19Å
120	T	98.3	Very high	97.6	Very high	82 Å²	82	68.3 Å²	68.3	50%	0.503	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.6	-178.9	-61	0	0	0	0	110.8	S116 E117	S116-T120 VanDerWaalsContact CA-O 3.25Å; S116-T120 WeakPolarHBondContact CA-O 3.29Å; E117-T120 PolarHBondContact N-O 2.81Å; E117-T120 PolarHBondContact O-N 3.37Å
121	Y	98.4	Very high	97.6	Very high	148 Å²	148	71.8 Å²	71.8	58%	0.58	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.2	177.2	-71.4	-105.2	0	0	0	111.2	D114 I115	D114-Y121 HydrophobicContact CB-CD1 4.17Å; D114-Y121 HydrophobicContact CB-CE1 3.96Å; I115-Y121 CarbonylContact O-C 3.47Å; I115-Y121 WeakPolarHBondContact O-CA 3.48Å
122	R	97.6	Very high	97.6	Very high	120 Å²	120	73.3 Å²	73.3	45%	0.453	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136	-177.3	-65	175.7	169.2	-130.3	1	110.2	I115 E117	I115-R122 HydrophobicContact CB-CB 4.43Å; I115-R122 HydrophobicContact CG2-CB 4.26Å; I115-R122 PolarHBondContact O-N 2.91Å; E117-R122 IonicContact OE1-NH2 3.62Å; E117-R122 IonicContact OE2-CZ 3Å; E117-R122 IonicContact OE2-NE 2.8Å; E117-R122 PolarHBondContact OE2-NE 3.36Å; E117-R122 IonicContact OE2-NH2 2.57Å; E117-R122 PolarHBondContact OE2-NH2 2.85Å
123	P	97.3	Very high	97.7	Very high	131 Å²	131	77.1 Å²	77.1	85%	0.851	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.4	173.5	29.7	-34.8	0	0	0	110.2
124	N	97.4	Very high	97.7	Very high	44 Å²	44	77.3 Å²	77.3	24%	0.235	43%	0.43	C	S	.	.			trans	-152.2	-177.2	178.4	72.1	82	0	0	0	109.6	Y113 I115 L126	Y113-N124 PolarHBondContact O-ND2 2.86Å; I115-N124 HydrophobicContact CD1-CB 3.64Å; I115-N124 HydrophobicContact CG1-CB 4.24Å; N124-L126 VanDerWaalsContact OD1-CB 3.27Å; N124-L126 WeakPolarHBondContact OD1-CB 3.43Å; N124-L126 WeakPolarHBondContact OD1-CG 3.45Å; N124-L126 PolarHBondContact OD1-N 2.89Å
125	Q	97.9	Very high	97.7	Very high	105 Å²	105	75.1 Å²	75.1	49%	0.491	42%	0.418	S	S	.	.	S	Bend	trans	-126.2	22.4	-177.6	-68.3	174.4	-17	0	0	114.1	A127 E128 Q130	Q125-A127 VanDerWaalsContact C-N 3.34Å; Q125-A127 PolarHBondContact O-N 3.36Å; Q125-E128 WeakPolarHBondContact CA-OE2 3.4Å; Q125-E128 PolarHBondContact O-N 3.28Å; Q125-Q130 HydrophobicContact CB-CB 3.82Å; Q125-Q130 HydrophobicContact CB-CG 3.95Å; Q125-Q130 WeakPolarHBondContact O-CB 3.34Å; Q125-Q130 PolarHBondContact O-N 3.37Å
126	L	98.1	Very high	97.6	Very high	1 Å²	1	82.5 Å²	82.5	1%	0.005	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.1	-179	-70.8	166.4	0	0	0	111.5	I110 Y113 I115 N124 E128 G129 V140 P142	I110-L126 HydrophobicContact CG2-CD1 4.29Å; Y113-L126 HydrophobicContact CD1-CB 3.62Å; Y113-L126 HydrophobicContact CE1-CB 4.32Å; Y113-L126 HydrophobicContact CG-CB 4.06Å; I115-L126 HydrophobicContact CD1-CD1 4.12Å; I115-L126 HydrophobicContact CG1-CD1 4.24Å; N124-L126 VanDerWaalsContact OD1-CB 3.27Å; N124-L126 WeakPolarHBondContact OD1-CB 3.43Å; N124-L126 WeakPolarHBondContact OD1-CG 3.45Å; N124-L126 PolarHBondContact OD1-N 2.89Å; L126-E128 VanDerWaalsContact C-N 3.25Å; L126-E128 PolarHBondContact O-N 2.67Å; L126-G129 WeakPolarHBondContact O-CA 3.19Å; L126-G129 PolarHBondContact O-N 2.78Å; L126-V140 HydrophobicContact CD2-CG1 4.14Å; L126-P142 HydrophobicContact CB-CG 4.25Å; L126-P142 HydrophobicContact CD2-CG 3.73Å; L126-P142 VanDerWaalsContact O-CG 3.29Å; L126-P142 WeakPolarHBondContact O-CG 3.12Å
127	A	96.8	Very high	97.6	Very high	67 Å²	67	84.5 Å²	84.5	55%	0.554	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.1	178.8	0	0	0	0	0	112.8	Y113 Q125 G129	Y113-A127 HydrophobicContact CD2-CB 3.68Å; Y113-A127 HydrophobicContact CE2-CB 4.23Å; Y113-A127 HydrophobicContact CG-CB 4.27Å; Q125-A127 VanDerWaalsContact C-N 3.34Å; Q125-A127 PolarHBondContact O-N 3.36Å; A127-G129 PolarHBondContact O-N 2.73Å
128	E	97.8	Very high	97.7	Very high	134 Å²	134	80.7 Å²	80.7	63%	0.626	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	3.5	172.6	-60.3	83.2	175.6	0	0	112.8	Q125 L126	Q125-E128 WeakPolarHBondContact CA-OE2 3.4Å; Q125-E128 PolarHBondContact O-N 3.28Å; L126-E128 VanDerWaalsContact C-N 3.25Å; L126-E128 PolarHBondContact O-N 2.67Å
129	G	96.9	Very high	97.9	Very high	53 Å²	53	80.3 Å²	80.3	55%	0.546	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	14.8	179.2	0	0	0	0	0	114.2	L126 A127	L126-G129 WeakPolarHBondContact O-CA 3.19Å; L126-G129 PolarHBondContact O-N 2.78Å; A127-G129 PolarHBondContact O-N 2.73Å
130	Q	98.2	Very high	98	Very high	99 Å²	99	73.4 Å²	73.4	46%	0.463	39%	0.387	S	S	.	.			trans	-85	141.5	175.3	-57.7	-164	31.5	0	0	111.4	Q125 P142	Q125-Q130 HydrophobicContact CB-CB 3.82Å; Q125-Q130 HydrophobicContact CB-CG 3.95Å; Q125-Q130 WeakPolarHBondContact O-CB 3.34Å; Q125-Q130 PolarHBondContact O-N 3.37Å; Q130-P142 WeakPolarHBondContact O-CG 3.25Å
131	V	98.4	Very high	98	Very high	73 Å²	73	71 Å²	71	44%	0.442	37%	0.372	S	S	.	.			trans	-69.6	133.6	174.9	173.8	0	0	0	0	109.4	Y139 V141	V131-Y139 HydrophobicContact CG1-CD1 3.94Å; V131-Y139 HydrophobicContact CG1-CG 4.28Å; V131-V141 HydrophobicContact CG1-CG2 4.48Å; V131-V141 HydrophobicContact CG2-CG1 4.4Å; V131-V141 HydrophobicContact CG2-CG2 4.33Å
132	Y	98.5	Very high	98	Very high	66 Å²	66	64.6 Å²	64.6	26%	0.259	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.4	168.2	178.9	-89.6	0	0	0	109.2	I110 I115 V134 V140	I110-Y132 HydrophobicContact CD1-CD1 3.97Å; I110-Y132 HydrophobicContact CD1-CE1 3.93Å; I115-Y132 HydrophobicContact CD1-CD1 4.31Å; I115-Y132 HydrophobicContact CD1-CD2 3.4Å; I115-Y132 HydrophobicContact CD1-CE1 4.34Å; I115-Y132 HydrophobicContact CD1-CE2 3.43Å; I115-Y132 VanDerWaalsContact CD1-CE2 3.43Å; I115-Y132 HydrophobicContact CD1-CG 3.86Å; Y132-V134 HydrophobicContact CD1-CG2 4.21Å; Y132-V134 HydrophobicContact CE1-CG2 4.2Å; Y132-V134 PolarHBondContact O-N 3.22Å; Y132-V140 HydrophobicContact CD1-CB 4.46Å; Y132-V140 HydrophobicContact CD1-CG2 4.41Å; Y132-V140 PolarHBondContact N-O 3.24Å; Y132-V140 PolarHBondContact O-N 3.14Å
133	T	98.3	Very high	98.1	Very high	83 Å²	83	59.3 Å²	59.3	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.3	178.7	-57.2	0	0	0	0	109.7	D135 Y139	T133-D135 WeakPolarHBondContact CG2-O 3.27Å; T133-Y139 HydrophobicContact CG2-CD1 4.2Å; T133-Y139 HydrophobicContact CG2-CE1 3.97Å
134	V	97.9	Very high	98.1	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.206	30%	0.298	C	S	.	.	S	Bend	trans	-76.4	-50	170.1	-179.1	0	0	0	0	108.4	M56 I58 L87 Y132 V138 V140	M56-V134 HydrophobicContact CE-CG1 4.32Å; M56-V134 HydrophobicContact SD-CG1 3.31Å; M56-V134 WeakPolarHBondContact SD-CG1 3.45Å; I58-V134 HydrophobicContact CD1-CG1 4.33Å; L87-V134 HydrophobicContact CD2-CG1 3.97Å; L87-V134 HydrophobicContact CD2-CG2 3.83Å; Y132-V134 HydrophobicContact CD1-CG2 4.21Å; Y132-V134 HydrophobicContact CE1-CG2 4.2Å; Y132-V134 PolarHBondContact O-N 3.22Å; V134-V138 HydrophobicContact CB-CB 4.07Å; V134-V138 HydrophobicContact CB-CG1 4.09Å; V134-V138 WeakPolarHBondContact CB-O 3.48Å; V134-V138 HydrophobicContact CG2-CG1 4.13Å; V134-V138 PolarHBondContact N-O 2.95Å; V134-V140 HydrophobicContact CG2-CG2 4.07Å
135	D	97.6	Very high	98.2	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	29%	0.287	C	S	.	.	S	Bend	trans	-158	-164.4	167.2	69.4	17	0	0	0	111.7	Y25 T133 H137 V138	Y25-D135 WeakPolarHBondContact CE2-OD2 3.3Å; Y25-D135 PolarHBondContact OH-OD2 2.85Å; T133-D135 WeakPolarHBondContact CG2-O 3.27Å; D135-H137 PolarHBondContact O-N 2.8Å; D135-H137 VanDerWaalsContact O-N 3.14Å; D135-H137 PolarHBondContact OD1-N 3.16Å; D135-V138 PolarHBondContact N-O 2.82Å; D135-V138 PolarHBondContact OD1-N 3.3Å
136	E	97.2	Very high	98.2	Very high	158 Å²	158	48 Å²	48	74%	0.738	27%	0.267	S	S	*	.	S	Bend	trans	-63.2	-14.2	-178.4	-60.8	-176.4	178.5	0	0	114.8	Y139	E136-Y139 PolarHBondContact O-OH 2.78Å
137	H	98.4	Very high	98.1	Very high	54 Å²	54	49.6 Å²	49.6	25%	0.25	28%	0.278	C	S	.	.	S	Bend	trans	-123.7	-17	-175.6	-65.4	-77	0	0	0	114	P24 Y25 D135 V155 E156	P24-H137 WeakPolarHBondContact CD-CD2 3.38Å; P24-H137 WeakPolarHBondContact CD-NE2 3.16Å; P24-H137 HydrophobicContact CG-CB 4.39Å; P24-H137 WeakPolarHBondContact CG-CD2 3.08Å; Y25-H137 HydrophobicContact CD2-CB 3.75Å; Y25-H137 HydrophobicContact CE2-CB 4.04Å; D135-H137 PolarHBondContact O-N 2.8Å; D135-H137 VanDerWaalsContact O-N 3.14Å; D135-H137 PolarHBondContact OD1-N 3.16Å; H137-V155 WeakPolarHBondContact O-CA 3.31Å; H137-E156 PolarHBondContact O-N 3.41Å
138	V	98.8	Very high	98.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127	-177.8	-175	0	0	0	0	111.3	Y25 I58 V134 D135 V153 Q154 V155	Y25-V138 HydrophobicContact CD1-CG2 4.23Å; Y25-V138 HydrophobicContact CD2-CG2 3.59Å; Y25-V138 HydrophobicContact CE1-CG2 4.2Å; Y25-V138 HydrophobicContact CE2-CG2 3.58Å; Y25-V138 HydrophobicContact CG-CG2 3.92Å; I58-V138 HydrophobicContact CD1-CB 4.37Å; I58-V138 HydrophobicContact CD1-CG1 3.79Å; I58-V138 HydrophobicContact CD1-CG2 4.26Å; V134-V138 HydrophobicContact CB-CB 4.07Å; V134-V138 HydrophobicContact CB-CG1 4.09Å; V134-V138 WeakPolarHBondContact CB-O 3.48Å; V134-V138 HydrophobicContact CG2-CG1 4.13Å; V134-V138 PolarHBondContact N-O 2.95Å; D135-V138 PolarHBondContact N-O 2.82Å; D135-V138 PolarHBondContact OD1-N 3.3Å; V138-V153 HydrophobicContact CG1-CG1 3.86Å; V138-Q154 WeakPolarHBondContact CA-O 3.46Å; V138-V155 HydrophobicContact CG2-CG1 4.39Å; V138-V155 HydrophobicContact CG2-CG2 4.48Å
139	Y	98.8	Very high	98	Very high	49 Å²	49	46.7 Å²	46.7	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.6	-174.7	-54	-87.5	0	0	0	111	V131 T133 E136 V153 Q154 E156	V131-Y139 HydrophobicContact CG1-CD1 3.94Å; V131-Y139 HydrophobicContact CG1-CG 4.28Å; T133-Y139 HydrophobicContact CG2-CD1 4.2Å; T133-Y139 HydrophobicContact CG2-CE1 3.97Å; E136-Y139 PolarHBondContact O-OH 2.78Å; Y139-V153 CarbonylContact O-C 3.57Å; Y139-V153 WeakPolarHBondContact O-CA 3.35Å; Y139-Q154 PolarHBondContact N-O 3.09Å; Y139-Q154 PolarHBondContact O-N 2.89Å; Y139-E156 HydrophobicContact CE2-CG 4.33Å
140	V	98.9	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.1	168	179.3	0	0	0	0	108.4	V89 I110 L126 Y132 V134 I151 S152 V153	V89-V140 HydrophobicContact CG2-CG2 4.45Å; I110-V140 HydrophobicContact CD1-CG2 4.02Å; I110-V140 HydrophobicContact CG2-CG1 4.47Å; L126-V140 HydrophobicContact CD2-CG1 4.14Å; Y132-V140 HydrophobicContact CD1-CB 4.46Å; Y132-V140 HydrophobicContact CD1-CG2 4.41Å; Y132-V140 PolarHBondContact N-O 3.24Å; Y132-V140 PolarHBondContact O-N 3.14Å; V134-V140 HydrophobicContact CG2-CG2 4.07Å; V140-I151 HydrophobicContact CG1-CB 3.9Å; V140-I151 HydrophobicContact CG1-CD1 3.54Å; V140-I151 HydrophobicContact CG1-CG1 4.26Å; V140-I151 HydrophobicContact CG1-CG2 4.2Å; V140-S152 WeakPolarHBondContact CA-O 3.17Å; V140-V153 HydrophobicContact CG2-CG2 4.45Å
141	V	98.8	Very high	98.1	Very high	31 Å²	31	39.8 Å²	39.8	19%	0.188	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.6	-171.3	-175.3	0	0	0	0	109.3	V131 T143 I151 S152 Q154	V131-V141 HydrophobicContact CG1-CG2 4.48Å; V131-V141 HydrophobicContact CG2-CG1 4.4Å; V131-V141 HydrophobicContact CG2-CG2 4.33Å; V141-T143 HydrophobicContact CG1-CG2 4.17Å; V141-T143 PolarHBondContact O-N 3.38Å; V141-I151 CarbonylContact O-C 3.6Å; V141-I151 WeakPolarHBondContact O-CA 3.33Å; V141-S152 PolarHBondContact N-O 3.21Å; V141-S152 PolarHBondContact O-N 3.41Å; V141-Q154 HydrophobicContact CG2-CB 4.08Å
142	P	98.7	Very high	98.2	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	122.2	170	-23.1	34	0	0	0	111.3	Y113 L126 Q130 P144	Y113-P142 HydrophobicContact CE1-CB 4.25Å; L126-P142 HydrophobicContact CB-CG 4.25Å; L126-P142 HydrophobicContact CD2-CG 3.73Å; L126-P142 VanDerWaalsContact O-CG 3.29Å; L126-P142 WeakPolarHBondContact O-CG 3.12Å; Q130-P142 WeakPolarHBondContact O-CG 3.25Å; P142-P144 VanDerWaalsContact C-CD 3.41Å
143	T	98.7	Very high	98.2	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	18%	0.182	C	C	.	.			trans	-132.6	46.7	-177.8	48.5	0	0	0	0	112.2	V141 D150 I151 S152 L169	V141-T143 HydrophobicContact CG1-CG2 4.17Å; V141-T143 PolarHBondContact O-N 3.38Å; T143-D150 CarbonylContact C-O 3.51Å; T143-D150 PolarHBondContact N-O 3.04Å; T143-I151 WeakPolarHBondContact OG1-CA 3.4Å; T143-S152 WeakPolarHBondContact CG2-OG 3.28Å; T143-S152 PolarHBondContact OG1-N 3.14Å; T143-S152 PolarHBondContact OG1-OG 3.28Å; T143-L169 HydrophobicContact CG2-CD2 3.96Å
144	P	98.6	Very high	98.2	Very high	29 Å²	29	30.7 Å²	30.7	19%	0.188	16%	0.164	C	C	.	.			trans	-57.4	152.2	-171.5	25.1	-35.1	0	0	0	113.1	Y113 P142 G148 D150 V188 N192	Y113-P144 WeakPolarHBondContact OH-CB 3.47Å; P142-P144 VanDerWaalsContact C-CD 3.41Å; P144-G148 WeakPolarHBondContact CB-O 3.42Å; P144-D150 WeakPolarHBondContact CA-OD2 3.05Å; P144-V188 HydrophobicContact CB-CG1 4.17Å; P144-V188 HydrophobicContact CG-CG1 3.89Å; P144-V188 VanDerWaalsContact O-CG1 3.25Å; P144-V188 WeakPolarHBondContact O-CG1 3.41Å; P144-N192 WeakPolarHBondContact CD-ND2 3.43Å; P144-N192 PolarHBondContact O-ND2 3.5Å
145	G	98.3	Very high	98.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	152.9	-37.7	166	0	0	0	0	0	113.3	D150 S183 L184 N185	G145-D150 PolarHBondContact N-OD2 2.76Å; G145-S183 PolarHBondContact O-OG 2.91Å; G145-L184 PolarHBondContact O-N 3.28Å; G145-N185 PolarHBondContact O-N 3.36Å
146	H	98.3	Very high	98.3	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.06	16%	0.159	C	C	.	.	S	Bend	trans	-70.8	-58.4	177.6	174.9	67.7	0	0	0	111.9	H92 H94 D150 D168 L182 L184	H92-H146 AromaticContact CD2-CD2 3.54Å; H92-H146 AromaticContact CD2-NE2 3.85Å; H92-H146 AromaticContact CE1-CD2 3.97Å; H92-H146 AromaticContact NE2-CD2 3.42Å; H92-H146 PolarHBondContact NE2-CD2 3.01Å; H92-H146 AromaticContact NE2-NE2 3.32Å; H92-H146 PolarHBondContact NE2-NE2 3.44Å; H94-H146 AromaticContact CE1-CD2 3.84Å; H94-H146 AromaticContact CE1-CE1 3.88Å; H94-H146 AromaticContact CE1-NE2 3.26Å; H94-H146 PolarHBondContact CE1-NE2 2.92Å; H94-H146 VanDerWaalsContact CE1-NE2 3.26Å; H94-H146 AromaticContact ND1-CD2 3.96Å; H94-H146 AromaticContact ND1-NE2 3.24Å; H94-H146 PolarHBondContact ND1-NE2 3.44Å; H146-D150 IonicContact CD2-OD1 3.74Å; H146-D150 PolarHBondContact N-OD2 3.14Å; H146-D168 HydrophobicContact CB-CB 4.32Å; H146-D168 WeakPolarHBondContact CD2-CB 3.39Å; H146-D168 IonicContact CD2-OD2 2.81Å; H146-D168 IonicContact CE1-OD2 3.95Å; H146-D168 PolarHBondContact CE1-OD2 3.08Å; H146-D168 WeakPolarHBondContact NE2-CB 3.49Å; H146-D168 IonicContact NE2-OD2 3.98Å; H146-D168 PolarHBondContact NE2-OD2 3.29Å; H146-L182 PolarHBondContact ND1-O 2.92Å; H146-L184 WeakPolarHBondContact O-CB 3.33Å; H146-L184 PolarHBondContact O-N 3.46Å
147	S	96.4	Very high	98.3	Very high	34 Å²	34	24.8 Å²	24.8	24%	0.238	14%	0.144	C	C	.	.	S	Bend	trans	-110.9	-10.1	176.3	74	0	0	0	0	113.4	H92 D150 L184	H92-S147 VanDerWaalsContact CB-OG 3.32Å; H92-S147 WeakPolarHBondContact CB-OG 3.25Å; S147-D150 VanDerWaalsContact CB-OD1 3.26Å; S147-D150 WeakPolarHBondContact CB-OD1 3.27Å; S147-D150 VanDerWaalsContact N-CG 3.29Å; S147-D150 PolarHBondContact N-OD1 3.48Å; S147-D150 PolarHBondContact N-OD2 2.91Å; S147-D150 VanDerWaalsContact OG-CG 3.31Å; S147-D150 PolarHBondContact OG-OD1 3.15Å; S147-L184 WeakPolarHBondContact O-CD2 3.31Å
148	G	95.7	Very high	98.3	Very high	31 Å²	31	22.8 Å²	22.8	32%	0.32	14%	0.135	S	C	.	.	S	Bend	trans	96.9	-21.2	174.8	0	0	0	0	0	114.9	P144 D150	P144-G148 WeakPolarHBondContact CB-O 3.42Å; G148-D150 PolarHBondContact N-OD2 3.26Å
149	Q	96.9	Very high	98.2	Very high	109 Å²	109	26.8 Å²	26.8	51%	0.509	16%	0.164	S	C	.	.	S	Bend	trans	-116.9	25.6	171.8	-64.8	-176.6	-36	0	0	111.8	G112 Y113	G112-Q149 WeakPolarHBondContact CA-O 3.34Å; Y113-Q149 HydrophobicContact CD2-CB 3.98Å; Y113-Q149 HydrophobicContact CD2-CG 3.83Å; Y113-Q149 HydrophobicContact CE1-CB 4.49Å; Y113-Q149 WeakPolarHBondContact CE1-O 3.07Å; Y113-Q149 HydrophobicContact CE2-CB 3.95Å; Y113-Q149 HydrophobicContact CE2-CG 3.86Å; Y113-Q149 HydrophobicContact CG-CB 4.29Å
150	D	98.8	Very high	98.2	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.032	16%	0.161	C	C	.	.			trans	-65.4	142.8	-174.1	-42.1	-80	0	0	0	111.7	T91 H92 T143 P144 G145 H146 S147 G148	T91-D150 WeakPolarHBondContact O-CA 3.32Å; H92-D150 WeakPolarHBondContact CB-OD1 3.34Å; H92-D150 IonicContact CG-OD1 3.96Å; T143-D150 CarbonylContact C-O 3.51Å; T143-D150 PolarHBondContact N-O 3.04Å; P144-D150 WeakPolarHBondContact CA-OD2 3.05Å; G145-D150 PolarHBondContact N-OD2 2.76Å; H146-D150 IonicContact CD2-OD1 3.74Å; H146-D150 PolarHBondContact N-OD2 3.14Å; S147-D150 VanDerWaalsContact CB-OD1 3.26Å; S147-D150 WeakPolarHBondContact CB-OD1 3.27Å; S147-D150 VanDerWaalsContact N-CG 3.29Å; S147-D150 PolarHBondContact N-OD1 3.48Å; S147-D150 PolarHBondContact N-OD2 2.91Å; S147-D150 VanDerWaalsContact OG-CG 3.31Å; S147-D150 PolarHBondContact OG-OD1 3.15Å; G148-D150 PolarHBondContact N-OD2 3.26Å
151	I	98.9	Very high	98.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.7	172.1	57.4	165.6	0	0	0	110.4	V89 T91 I110 G112 Y113 V140 V141 T143	V89-I151 HydrophobicContact CG1-CD1 3.46Å; V89-I151 VanDerWaalsContact CG1-CD1 3.46Å; V89-I151 HydrophobicContact CG1-CG1 4.37Å; T91-I151 WeakPolarHBondContact CB-O 3.4Å; T91-I151 WeakPolarHBondContact O-CG1 3.49Å; T91-I151 PolarHBondContact O-N 2.89Å; I110-I151 HydrophobicContact CB-CD1 4.48Å; I110-I151 HydrophobicContact CG2-CD1 3.53Å; G112-I151 WeakPolarHBondContact O-CD1 3.32Å; G112-I151 VanDerWaalsContact O-CG2 3.26Å; G112-I151 WeakPolarHBondContact O-CG2 3.35Å; Y113-I151 HydrophobicContact CD1-CG2 3.84Å; Y113-I151 HydrophobicContact CE1-CG2 3.74Å; V140-I151 HydrophobicContact CG1-CB 3.9Å; V140-I151 HydrophobicContact CG1-CD1 3.54Å; V140-I151 HydrophobicContact CG1-CG1 4.26Å; V140-I151 HydrophobicContact CG1-CG2 4.2Å; V141-I151 CarbonylContact O-C 3.6Å; V141-I151 WeakPolarHBondContact O-CA 3.33Å; T143-I151 WeakPolarHBondContact OG1-CA 3.4Å
152	S	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.5	173	-58.2	0	0	0	0	110.2	V140 V141 T143 V165 A166	V140-S152 WeakPolarHBondContact CA-O 3.17Å; V141-S152 PolarHBondContact N-O 3.21Å; V141-S152 PolarHBondContact O-N 3.41Å; T143-S152 WeakPolarHBondContact CG2-OG 3.28Å; T143-S152 PolarHBondContact OG1-N 3.14Å; T143-S152 PolarHBondContact OG1-OG 3.28Å; S152-V165 CarbonylContact C-O 3.48Å; S152-V165 VanDerWaalsContact CA-O 3.31Å; S152-V165 WeakPolarHBondContact CA-O 3.42Å; S152-V165 VanDerWaalsContact CB-O 3.31Å; S152-V165 WeakPolarHBondContact CB-O 3.41Å; S152-A166 WeakPolarHBondContact OG-CA 3.3Å; S152-A166 PolarHBondContact OG-O 2.6Å
153	V	98.9	Very high	98.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.8	176.7	-175.1	0	0	0	0	109.7	I52 V60 V89 V138 Y139 V140 V155 V165	I52-V153 HydrophobicContact CD1-CG1 3.7Å; V60-V153 HydrophobicContact CB-CG2 4.45Å; V60-V153 HydrophobicContact CG1-CB 4.47Å; V60-V153 HydrophobicContact CG1-CG2 3.84Å; V60-V153 HydrophobicContact CG2-CB 4.01Å; V60-V153 HydrophobicContact CG2-CG1 4.26Å; V60-V153 HydrophobicContact CG2-CG2 3.7Å; V89-V153 HydrophobicContact CB-CG2 4.03Å; V89-V153 HydrophobicContact CG1-CG2 3.7Å; V89-V153 HydrophobicContact CG2-CG2 4.16Å; V138-V153 HydrophobicContact CG1-CG1 3.86Å; Y139-V153 CarbonylContact O-C 3.57Å; Y139-V153 WeakPolarHBondContact O-CA 3.35Å; V140-V153 HydrophobicContact CG2-CG2 4.45Å; V153-V155 HydrophobicContact CG1-CG2 4.32Å; V153-V165 HydrophobicContact CB-CB 4.31Å; V153-V165 PolarHBondContact N-O 3.28Å; V153-V165 PolarHBondContact O-N 3.14Å
154	Q	98.9	Very high	98.1	Very high	31 Å²	31	25.5 Å²	25.5	15%	0.145	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.6	175.3	179.1	171.5	-57.8	0	0	109.7	V138 Y139 V141 E156 T162 L164	V138-Q154 WeakPolarHBondContact CA-O 3.46Å; Y139-Q154 PolarHBondContact N-O 3.09Å; Y139-Q154 PolarHBondContact O-N 2.89Å; V141-Q154 HydrophobicContact CG2-CB 4.08Å; Q154-E156 HydrophobicContact CG-CG 4.39Å; Q154-E156 PolarHBondContact NE2-OE1 2.86Å; Q154-T162 HydrophobicContact CG-CG2 3.62Å; Q154-L164 HydrophobicContact CB-CD1 3.92Å
155	V	98.9	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.9	177.2	-172.9	0	0	0	0	109.2	V27 I52 H137 V138 V153 T158 T162 V163	V27-V155 HydrophobicContact CG2-CB 3.89Å; V27-V155 HydrophobicContact CG2-CG1 3.78Å; V27-V155 HydrophobicContact CG2-CG2 3.95Å; I52-V155 HydrophobicContact CD1-CG2 3.56Å; I52-V155 HydrophobicContact CG1-CG2 4.08Å; I52-V155 HydrophobicContact CG2-CG1 4.37Å; I52-V155 HydrophobicContact CG2-CG2 4.15Å; H137-V155 WeakPolarHBondContact O-CA 3.31Å; V138-V155 HydrophobicContact CG2-CG1 4.39Å; V138-V155 HydrophobicContact CG2-CG2 4.48Å; V153-V155 HydrophobicContact CG1-CG2 4.32Å; V155-T158 HydrophobicContact CG1-CG2 4.12Å; V155-T162 WeakPolarHBondContact O-CA 3.5Å; V155-V163 PolarHBondContact N-O 2.95Å; V155-V163 PolarHBondContact O-N 2.53Å
156	E	98.5	Very high	98.2	Very high	65 Å²	65	24.3 Å²	24.3	30%	0.304	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	160.4	179.9	-62.8	-175.7	-176.2	0	0	111.9	H137 Y139 Q154 T162	H137-E156 PolarHBondContact O-N 3.41Å; Y139-E156 HydrophobicContact CE2-CG 4.33Å; Q154-E156 HydrophobicContact CG-CG 4.39Å; Q154-E156 PolarHBondContact NE2-OE1 2.86Å; E156-T162 HydrophobicContact CG-CG2 4.31Å
157	G	97.1	Very high	98.2	Very high	41 Å²	41	23.9 Å²	23.9	42%	0.423	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.4	19.2	176	0	0	0	0	0	115	Q23	Q23-G157 PolarHBondContact N-O 3.48Å
158	T	98.4	Very high	98.3	Very high	12 Å²	12	22.6 Å²	22.6	7%	0.074	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	163.1	172	80	0	0	0	0	111.3	V27 V155 V160 G161 V163	V27-T158 HydrophobicContact CG2-CG2 4.19Å; V155-T158 HydrophobicContact CG1-CG2 4.12Å; T158-V160 PolarHBondContact O-N 3.44Å; T158-V160 WeakPolarHBondContact OG1-CG2 3.34Å; T158-V160 PolarHBondContact OG1-N 2.71Å; T158-G161 WeakPolarHBondContact CB-O 3.23Å; T158-G161 PolarHBondContact N-O 2.88Å; T158-G161 PolarHBondContact O-N 2.99Å; T158-G161 PolarHBondContact OG1-N 3.02Å; T158-G161 PolarHBondContact OG1-O 3.32Å; T158-V163 HydrophobicContact CG2-CG2 3.83Å
159	S	97.6	Very high	98.5	Very high	85 Å²	85	21.2 Å²	21.2	59%	0.594	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.7	173.6	54.7	0	0	0	0	113.9	P21	P21-S159 WeakPolarHBondContact CD-OG 3.27Å; P21-S159 WeakPolarHBondContact O-CB 3.29Å; P21-S159 PolarHBondContact O-N 2.81Å; P21-S159 PolarHBondContact O-OG 3.01Å
160	V	97.7	Very high	98.5	Very high	22 Å²	22	16 Å²	16	13%	0.133	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	7.9	176.6	-58.8	0	0	0	0	112.8	F20 T158 V163 D201 V202	F20-V160 HydrophobicContact CB-CG2 4.08Å; F20-V160 HydrophobicContact CD1-CB 4.48Å; F20-V160 HydrophobicContact CD1-CG1 4.02Å; F20-V160 HydrophobicContact CD1-CG2 3.68Å; F20-V160 HydrophobicContact CG-CG2 4.15Å; T158-V160 PolarHBondContact O-N 3.44Å; T158-V160 WeakPolarHBondContact OG1-CG2 3.34Å; T158-V160 PolarHBondContact OG1-N 2.71Å; V160-V163 HydrophobicContact CG2-CG2 3.65Å; V160-D201 WeakPolarHBondContact O-CB 3.3Å; V160-V202 HydrophobicContact CB-CG2 4.03Å; V160-V202 HydrophobicContact CG2-CB 4.27Å; V160-V202 HydrophobicContact CG2-CG2 3.72Å
161	G	97.9	Very high	98.5	Very high	27 Å²	27	16.6 Å²	16.6	28%	0.278	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-128.5	-175.1	0	0	0	0	0	111.9	T158 D201	T158-G161 WeakPolarHBondContact CB-O 3.23Å; T158-G161 PolarHBondContact N-O 2.88Å; T158-G161 PolarHBondContact O-N 2.99Å; T158-G161 PolarHBondContact OG1-N 3.02Å; T158-G161 PolarHBondContact OG1-O 3.32Å; G161-D201 WeakPolarHBondContact CA-OD2 3.24Å
162	T	98.6	Very high	98.4	Very high	24 Å²	24	17.8 Å²	17.8	15%	0.147	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.6	179.7	-54.5	0	0	0	0	110.6	Q154 V155 E156 D201 V202	Q154-T162 HydrophobicContact CG-CG2 3.62Å; V155-T162 WeakPolarHBondContact O-CA 3.5Å; E156-T162 HydrophobicContact CG-CG2 4.31Å; T162-D201 PolarHBondContact N-OD2 2.92Å; T162-D201 PolarHBondContact O-N 3.04Å; T162-V202 PolarHBondContact O-N 2.82Å; T162-V202 VanDerWaalsContact O-N 3.09Å
163	V	98.9	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.5	172.4	-179.2	0	0	0	0	109	F20 V27 V155 T158 V160 V202 I204	F20-V163 HydrophobicContact CB-CG2 4.11Å; F20-V163 HydrophobicContact CG-CG2 4.2Å; V27-V163 HydrophobicContact CB-CG1 4.47Å; V27-V163 HydrophobicContact CG1-CG1 4.15Å; V27-V163 HydrophobicContact CG2-CB 4.36Å; V27-V163 HydrophobicContact CG2-CG1 4.44Å; V155-V163 PolarHBondContact N-O 2.95Å; V155-V163 PolarHBondContact O-N 2.53Å; T158-V163 HydrophobicContact CG2-CG2 3.83Å; V160-V163 HydrophobicContact CG2-CG2 3.65Å; V163-V202 CarbonylContact C-O 3.51Å; V163-V202 WeakPolarHBondContact CA-O 3.12Å; V163-V202 HydrophobicContact CG1-CG1 4.5Å; V163-V202 HydrophobicContact CG2-CB 4.31Å; V163-I204 HydrophobicContact CG1-CD1 3.64Å; V163-I204 HydrophobicContact CG1-CG1 4.22Å
164	L	98.9	Very high	98.1	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.6	172.6	-173.3	74.7	0	0	0	109.9	Q154 A166 A196 A200 V202 I203 I204	Q154-L164 HydrophobicContact CB-CD1 3.92Å; L164-A166 HydrophobicContact CD2-CB 4.25Å; L164-A166 HydrophobicContact CG-CB 4.35Å; L164-A166 PolarHBondContact O-N 3.31Å; L164-A196 HydrophobicContact CD2-CB 3.44Å; L164-A196 VanDerWaalsContact CD2-CB 3.44Å; L164-A200 HydrophobicContact CB-CB 3.84Å; L164-V202 PolarHBondContact N-O 3.13Å; L164-I203 HydrophobicContact CB-CG1 4.43Å; L164-I203 WeakPolarHBondContact O-CA 3.44Å; L164-I204 PolarHBondContact O-N 2.68Å
165	V	98.9	Very high	97.9	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	102.9	166.4	-166.5	0	0	0	0	107.5	T50 V60 S152 V153 I204	T50-V165 HydrophobicContact CG2-CG1 4.47Å; T50-V165 HydrophobicContact CG2-CG2 3.79Å; V60-V165 HydrophobicContact CB-CB 4.47Å; V60-V165 HydrophobicContact CB-CG1 3.96Å; V60-V165 HydrophobicContact CG1-CB 4.07Å; V60-V165 HydrophobicContact CG1-CG1 3.56Å; S152-V165 CarbonylContact C-O 3.48Å; S152-V165 VanDerWaalsContact CA-O 3.31Å; S152-V165 WeakPolarHBondContact CA-O 3.42Å; S152-V165 VanDerWaalsContact CB-O 3.31Å; S152-V165 WeakPolarHBondContact CB-O 3.41Å; V153-V165 HydrophobicContact CB-CB 4.31Å; V153-V165 PolarHBondContact N-O 3.28Å; V153-V165 PolarHBondContact O-N 3.14Å; V165-I204 HydrophobicContact CG1-CB 4.5Å; V165-I204 HydrophobicContact CG1-CG2 4.43Å; V165-I204 HydrophobicContact CG2-CD1 4.09Å
166	A	98.8	Very high	97.5	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-14.9	-159.5	0	0	0	0	0	114.2	S152 L164 L169 F170 I203 I204	S152-A166 WeakPolarHBondContact OG-CA 3.3Å; S152-A166 PolarHBondContact OG-O 2.6Å; L164-A166 HydrophobicContact CD2-CB 4.25Å; L164-A166 HydrophobicContact CG-CB 4.35Å; L164-A166 PolarHBondContact O-N 3.31Å; A166-L169 HydrophobicContact CB-CB 4.19Å; A166-L169 VanDerWaalsContact O-CB 3.29Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 PolarHBondContact O-N 2.53Å; A166-F170 HydrophobicContact CB-CD2 4.02Å; A166-I203 HydrophobicContact CB-CG2 3.81Å; A166-I204 PolarHBondContact N-O 2.8Å
167	G	98.8	Very high	97.2	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	-145.3	-163.8	0	0	0	0	0	110.2	L169 F170 G206	G167-L169 PolarHBondContact O-N 3.28Å; G167-L169 VanDerWaalsContact O-N 3.14Å; G167-F170 PolarHBondContact O-N 3.49Å; G167-G206 PolarHBondContact O-N 2.9Å
168	D	98.8	Very high	96.9	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.7	-177.1	-67	1	0	0	0	113.8	H92 H97 H146 F170 Q189 G206 H207	H92-D168 VanDerWaalsContact CE1-CG 3.5Å; H92-D168 IonicContact CE1-OD1 2.78Å; H92-D168 IonicContact CE1-OD2 3.68Å; H92-D168 PolarHBondContact CE1-OD2 2.89Å; H92-D168 IonicContact NE2-OD2 3.73Å; H92-D168 PolarHBondContact NE2-OD2 3.13Å; H97-D168 IonicContact CE1-OD1 3.63Å; H97-D168 PolarHBondContact CE1-OD1 3.11Å; H97-D168 IonicContact NE2-OD1 3.21Å; H97-D168 PolarHBondContact NE2-OD1 2.78Å; H97-D168 IonicContact NE2-OD2 3.24Å; H146-D168 HydrophobicContact CB-CB 4.32Å; H146-D168 WeakPolarHBondContact CD2-CB 3.39Å; H146-D168 IonicContact CD2-OD2 2.81Å; H146-D168 IonicContact CE1-OD2 3.95Å; H146-D168 PolarHBondContact CE1-OD2 3.08Å; H146-D168 WeakPolarHBondContact NE2-CB 3.49Å; H146-D168 IonicContact NE2-OD2 3.98Å; H146-D168 PolarHBondContact NE2-OD2 3.29Å; D168-F170 PolarHBondContact O-N 3.31Å; D168-Q189 PolarHBondContact O-NE2 3.07Å; D168-G206 WeakPolarHBondContact OD1-CA 3.45Å; D168-H207 IonicContact OD1-CD2 3.9Å; D168-H207 IonicContact OD1-NE2 2.53Å; D168-H207 IonicContact OD2-NE2 2.6Å
169	L	98.7	Very high	96.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-34.8	161.5	-179	65.1	0	0	0	110.1	T143 A166 G167 Q189 N192 R193 A196	T143-L169 HydrophobicContact CG2-CD2 3.96Å; A166-L169 HydrophobicContact CB-CB 4.19Å; A166-L169 VanDerWaalsContact O-CB 3.29Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 PolarHBondContact O-N 2.53Å; G167-L169 PolarHBondContact O-N 3.28Å; G167-L169 VanDerWaalsContact O-N 3.14Å; L169-Q189 HydrophobicContact CD1-CG 3.89Å; L169-Q189 PolarHBondContact O-NE2 3.19Å; L169-N192 HydrophobicContact CD1-CB 3.76Å; L169-R193 HydrophobicContact CD1-CG 3.76Å; L169-R193 HydrophobicContact CG-CG 4Å; L169-R193 WeakPolarHBondContact O-CD 3.3Å; L169-R193 VanDerWaalsContact O-CG 3.29Å; L169-R193 WeakPolarHBondContact O-CG 3.5Å; L169-R193 PolarHBondContact O-NH1 3.49Å; L169-A196 HydrophobicContact CD2-CB 3.98Å
170	F	98.7	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-125.4	125	166.6	-63.8	-96	0	0	0	109.8	A166 G167 D168 R193 A196 L197 I203 P205 G206 F211	A166-F170 HydrophobicContact CB-CD2 4.02Å; G167-F170 PolarHBondContact O-N 3.49Å; D168-F170 PolarHBondContact O-N 3.31Å; F170-R193 VanDerWaalsContact CD1-CZ 3.41Å; F170-R193 HydrophobicContact CE1-CB 4.12Å; F170-R193 HydrophobicContact CE1-CG 4.05Å; F170-R193 HydrophobicContact CE2-CB 4.36Å; F170-R193 HydrophobicContact CE2-CG 4.13Å; F170-R193 HydrophobicContact CZ-CB 3.72Å; F170-R193 HydrophobicContact CZ-CG 3.81Å; F170-A196 HydrophobicContact CE2-CB 3.76Å; F170-A196 HydrophobicContact CZ-CB 4.17Å; F170-L197 HydrophobicContact CE1-CD1 4.43Å; F170-L197 HydrophobicContact CE1-CD2 4.25Å; F170-L197 HydrophobicContact CE1-CG 4.27Å; F170-L197 HydrophobicContact CZ-CD1 4.46Å; F170-L197 HydrophobicContact CZ-CD2 4.23Å; F170-L197 HydrophobicContact CZ-CG 3.97Å; F170-I203 HydrophobicContact CD2-CD1 4.37Å; F170-I203 HydrophobicContact CD2-CG2 3.81Å; F170-I203 HydrophobicContact CE2-CD1 3.81Å; F170-I203 HydrophobicContact CE2-CG2 4.28Å; F170-I203 HydrophobicContact CG-CG2 4.23Å; F170-I203 HydrophobicContact CZ-CD1 3.92Å; F170-P205 HydrophobicContact CB-CB 3.89Å; F170-P205 WeakPolarHBondContact O-CA 3.1Å; F170-P205 WeakPolarHBondContact O-CB 3.45Å; F170-G206 PolarHBondContact O-N 2.79Å; F170-F211 HydrophobicContact CB-CE1 4.34Å; F170-F211 HydrophobicContact CB-CZ 4.46Å; F170-F211 HydrophobicContact CD1-CE1 4.44Å; F170-F211 AromaticContact CD1-CZ 3.8Å; F170-F211 HydrophobicContact CD1-CZ 3.8Å; F170-F211 HydrophobicContact CE1-CZ 4.19Å; F170-F211 HydrophobicContact CG-CE1 4.41Å; F170-F211 HydrophobicContact CG-CZ 4.05Å
171	E	98.1	Very high	96.8	Very high	18 Å²	18	40.9 Å²	40.9	8%	0.084	22%	0.223	C	C	.	.	S	Bend	trans	-66.9	-53.7	175.3	176.1	70	-164.2	0	0	109.3	C35 D175 L182 H207	C35-E171 WeakPolarHBondContact CB-OE1 3.36Å; E171-D175 HydrophobicContact CB-CB 3.75Å; E171-D175 HydrophobicContact CG-CB 4.46Å; E171-D175 PolarHBondContact N-OD2 3.02Å; E171-L182 HydrophobicContact CG-CD1 4.36Å; E171-L182 VanDerWaalsContact OE2-CD1 3.3Å; E171-L182 WeakPolarHBondContact OE2-CD1 3.25Å; E171-H207 HydrophobicContact CG-CB 4.44Å; E171-H207 CarbonylContact O-C 3.54Å; E171-H207 WeakPolarHBondContact O-CA 3.32Å; E171-H207 WeakPolarHBondContact O-CB 3.47Å; E171-H207 PolarHBondContact O-N 3.24Å; E171-H207 VanDerWaalsContact OE1-CB 3.29Å; E171-H207 WeakPolarHBondContact OE1-CB 3.47Å; E171-H207 IonicContact OE1-CD2 3.28Å; E171-H207 PolarHBondContact OE1-CD2 2.87Å; E171-H207 IonicContact OE1-CG 3.67Å; E171-H207 IonicContact OE2-CD2 3.6Å; E171-H207 PolarHBondContact OE2-CD2 2.89Å; E171-H207 VanDerWaalsContact OE2-CD2 3.32Å
172	C	97.2	Very high	96.7	Very high	26 Å²	26	43.9 Å²	43.9	18%	0.176	23%	0.232	C	C	.	.	S	Bend	trans	-156.3	-179.8	174.7	70.6	0	0	0	0	110.3	S174 D175	C172-S174 PolarHBondContact O-N 3.2Å; C172-D175 VanDerWaalsContact O-CG 3.24Å
173	W	95.8	Very high	96.6	Very high	108 Å²	108	43.7 Å²	43.7	41%	0.409	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.9	-177.6	80.6	-80.5	0	0	0	114.5	R10 C12 F211	R10-W173 WeakPolarHBondContact CD-O 3.29Å; C12-W173 HydrophobicContact CB-CB 4.34Å; C12-W173 HydrophobicContact CB-CD2 3.6Å; C12-W173 HydrophobicContact CB-CE3 4.08Å; C12-W173 HydrophobicContact CB-CG 3.71Å; C12-W173 HydrophobicContact CB-CZ2 4.43Å; C12-W173 VanDerWaalsContact SG-CD1 3.51Å; W173-F211 HydrophobicContact CB-CB 3.72Å; W173-F211 HydrophobicContact CB-CD1 3.66Å; W173-F211 HydrophobicContact CB-CE1 4.47Å; W173-F211 HydrophobicContact CB-CG 3.82Å
174	S	94.4	Very high	96.6	Very high	68 Å²	68	49.9 Å²	49.9	48%	0.476	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	46.5	-173.5	63.6	0	0	0	0	112.2	C172	C172-S174 PolarHBondContact O-N 3.2Å
175	D	94.9	Very high	96.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.			trans	-94.6	5.7	-172.3	67.1	-11.3	0	0	0	114.9	R10 E171 C172 N177 S178 W179 R193	R10-D175 IonicContact NH1-OD1 2.79Å; R10-D175 PolarHBondContact NH1-OD1 2.79Å; E171-D175 HydrophobicContact CB-CB 3.75Å; E171-D175 HydrophobicContact CG-CB 4.46Å; E171-D175 PolarHBondContact N-OD2 3.02Å; C172-D175 VanDerWaalsContact O-CG 3.24Å; D175-N177 PolarHBondContact O-N 3.42Å; D175-S178 PolarHBondContact O-N 3.19Å; D175-S178 PolarHBondContact O-OG 3.02Å; D175-W179 HydrophobicContact CB-CB 4.24Å; D175-W179 PolarHBondContact O-N 3Å; D175-W179 VanDerWaalsContact O-N 3.1Å; D175-R193 IonicContact OD1-CZ 2.75Å; D175-R193 IonicContact OD1-NH1 3.11Å; D175-R193 IonicContact OD1-NH2 3.9Å; D175-R193 PolarHBondContact OD1-NH2 3.24Å; D175-R193 IonicContact OD2-CZ 2.72Å; D175-R193 IonicContact OD2-NH1 3.68Å; D175-R193 PolarHBondContact OD2-NH1 3.26Å; D175-R193 IonicContact OD2-NH2 3.37Å; D175-R193 PolarHBondContact OD2-NH2 3.24Å
176	D	91.8	Very high	96.6	Very high	89 Å²	89	55.5 Å²	55.5	48%	0.476	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-23.7	-167.6	-66.9	-38.7	0	0	0	114.8	R10 R193	R10-D176 IonicContact CZ-OD1 3.23Å; R10-D176 VanDerWaalsContact CZ-OD1 3.23Å; R10-D176 IonicContact NH1-OD1 3.54Å; R10-D176 PolarHBondContact NH1-OD1 3.18Å; R10-D176 IonicContact NH1-OD2 3.57Å; R10-D176 IonicContact NH2-OD1 2.83Å; R10-D176 PolarHBondContact NH2-OD1 2.75Å; D176-R193 IonicContact OD1-NH2 3.42Å
177	N	90.2	Very high	96.5	Very high	161 Å²	161	58.7 Å²	58.7	86%	0.861	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-2.3	180	-61.7	-47.9	0	0	0	114.5	D175	D175-N177 PolarHBondContact O-N 3.42Å
178	S	92.6	Very high	96.5	Very high	49 Å²	49	61.1 Å²	61.1	34%	0.343	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-33	-172.1	58.5	0	0	0	0	114.4	D175 K180 D181	D175-S178 PolarHBondContact O-N 3.19Å; D175-S178 PolarHBondContact O-OG 3.02Å; S178-K180 PolarHBondContact O-N 3.17Å; S178-K180 VanDerWaalsContact O-N 3.08Å; S178-D181 PolarHBondContact O-N 2.76Å; S178-D181 VanDerWaalsContact O-N 3.1Å
179	W	96.9	Very high	96.5	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.027	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.6	-28.5	-171.1	72.2	-100.3	0	0	0	113.4	D175 D181 L182 S183 S186 Q189 E190	D175-W179 HydrophobicContact CB-CB 4.24Å; D175-W179 PolarHBondContact O-N 3Å; D175-W179 VanDerWaalsContact O-N 3.1Å; W179-D181 VanDerWaalsContact C-N 3.29Å; W179-D181 PolarHBondContact O-N 3.33Å; W179-L182 PolarHBondContact O-N 3.4Å; W179-S183 PolarHBondContact O-N 3.33Å; W179-S186 WeakPolarHBondContact CH2-O 3.39Å; W179-Q189 HydrophobicContact CE3-CB 4.44Å; W179-Q189 HydrophobicContact CE3-CG 4.15Å; W179-Q189 HydrophobicContact CH2-CB 4.37Å; W179-Q189 HydrophobicContact CZ3-CB 3.7Å; W179-Q189 HydrophobicContact CZ3-CG 3.9Å; W179-E190 HydrophobicContact CH2-CB 4Å; W179-E190 HydrophobicContact CZ2-CB 4.38Å; W179-E190 WeakPolarHBondContact CZ2-OE2 3.38Å
180	K	97.6	Very high	96.5	Very high	117 Å²	117	63.8 Å²	63.8	51%	0.509	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-66.2	-30.3	-179.9	-69.7	-177.6	-178.5	171.4	0	113.4	S178 L182 S183	S178-K180 PolarHBondContact O-N 3.17Å; S178-K180 VanDerWaalsContact O-N 3.08Å; K180-L182 PolarHBondContact O-N 3.27Å; K180-S183 PolarHBondContact O-N 3.18Å
181	D	95.6	Very high	96.4	Very high	143 Å²	143	67.5 Å²	67.5	77%	0.765	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-74.5	-19.6	-179.4	-64.2	-24	0	0	0	111.6	S178 W179	S178-D181 PolarHBondContact O-N 2.76Å; S178-D181 VanDerWaalsContact O-N 3.1Å; W179-D181 VanDerWaalsContact C-N 3.29Å; W179-D181 PolarHBondContact O-N 3.33Å
182	L	95.8	Very high	96.5	Very high	90 Å²	90	67.1 Å²	67.1	47%	0.471	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-96.9	-7.1	178.8	-54.8	176.9	0	0	0	112.6	H146 E171 W179 K180	H146-L182 PolarHBondContact ND1-O 2.92Å; E171-L182 HydrophobicContact CG-CD1 4.36Å; E171-L182 VanDerWaalsContact OE2-CD1 3.3Å; E171-L182 WeakPolarHBondContact OE2-CD1 3.25Å; W179-L182 PolarHBondContact O-N 3.4Å; K180-L182 PolarHBondContact O-N 3.27Å
183	S	98.2	Very high	96.5	Very high	21 Å²	21	65.9 Å²	65.9	15%	0.147	36%	0.364	C	S	.	.			trans	-88.8	130.7	-171.8	-173.6	0	0	0	0	112.8	G145 W179 K180 N185 S186 Q189	G145-S183 PolarHBondContact O-OG 2.91Å; W179-S183 PolarHBondContact O-N 3.33Å; K180-S183 PolarHBondContact O-N 3.18Å; S183-N185 VanDerWaalsContact C-N 3.35Å; S183-N185 PolarHBondContact OG-N 3.44Å; S183-S186 VanDerWaalsContact OG-CA 3.26Å; S183-S186 WeakPolarHBondContact OG-CA 3.39Å; S183-S186 PolarHBondContact OG-N 2.88Å; S183-Q189 PolarHBondContact OG-OE1 2.93Å
184	L	98.3	Very high	96.6	Very high	130 Å²	130	64.1 Å²	64.1	68%	0.681	36%	0.36	S	S	*	.	S	Bend	trans	-66.4	-36.9	167.8	-175.6	65.4	0	0	0	112.2	G145 H146 S147	G145-L184 PolarHBondContact O-N 3.28Å; H146-L184 WeakPolarHBondContact O-CB 3.33Å; H146-L184 PolarHBondContact O-N 3.46Å; S147-L184 WeakPolarHBondContact O-CD2 3.31Å
185	N	98.4	Very high	96.8	Very high	75 Å²	75	66.6 Å²	66.6	40%	0.401	36%	0.362	S	S	.	.			trans	-144.9	87.8	178.7	-170.2	-25.1	0	0	0	111.5	G145 S183 A187 V188 Q189	G145-N185 PolarHBondContact O-N 3.36Å; S183-N185 VanDerWaalsContact C-N 3.35Å; S183-N185 PolarHBondContact OG-N 3.44Å; N185-A187 VanDerWaalsContact C-N 3.26Å; N185-A187 PolarHBondContact O-N 3.14Å; N185-A187 PolarHBondContact OD1-N 3.31Å; N185-V188 HydrophobicContact CB-CB 4.33Å; N185-V188 HydrophobicContact CB-CG2 4.39Å; N185-V188 VanDerWaalsContact CG-CG2 3.49Å; N185-V188 VanDerWaalsContact ND2-CG2 3.34Å; N185-V188 WeakPolarHBondContact ND2-CG2 3.4Å; N185-V188 PolarHBondContact O-N 2.91Å; N185-V188 VanDerWaalsContact O-N 3.14Å; N185-V188 PolarHBondContact OD1-N 2.57Å; N185-Q189 PolarHBondContact O-N 3.06Å
186	S	98.2	Very high	96.9	Very high	50 Å²	50	66.9 Å²	66.9	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-27.9	-175.2	58.5	0	0	0	0	114.1	W179 S183 E190	W179-S186 WeakPolarHBondContact CH2-O 3.39Å; S183-S186 VanDerWaalsContact OG-CA 3.26Å; S183-S186 WeakPolarHBondContact OG-CA 3.39Å; S183-S186 PolarHBondContact OG-N 2.88Å; S186-E190 VanDerWaalsContact O-CB 3.25Å; S186-E190 WeakPolarHBondContact O-CB 3.37Å; S186-E190 PolarHBondContact O-N 3.3Å
187	A	98.2	Very high	97.2	Very high	68 Å²	68	62.7 Å²	62.7	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-67.8	-41.5	176.3	0	0	0	0	0	111.8	N185 V191	N185-A187 VanDerWaalsContact C-N 3.26Å; N185-A187 PolarHBondContact O-N 3.14Å; N185-A187 PolarHBondContact OD1-N 3.31Å; A187-V191 WeakPolarHBondContact O-CG2 3.38Å; A187-V191 PolarHBondContact O-N 2.93Å
188	V	98.3	Very high	97.5	Very high	54 Å²	54	58.5 Å²	58.5	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-73	-43.1	177.4	-179.6	0	0	0	0	110.3	P144 N185 E190 V191 N192	P144-V188 HydrophobicContact CB-CG1 4.17Å; P144-V188 HydrophobicContact CG-CG1 3.89Å; P144-V188 VanDerWaalsContact O-CG1 3.25Å; P144-V188 WeakPolarHBondContact O-CG1 3.41Å; N185-V188 HydrophobicContact CB-CB 4.33Å; N185-V188 HydrophobicContact CB-CG2 4.39Å; N185-V188 VanDerWaalsContact CG-CG2 3.49Å; N185-V188 VanDerWaalsContact ND2-CG2 3.34Å; N185-V188 WeakPolarHBondContact ND2-CG2 3.4Å; N185-V188 PolarHBondContact O-N 2.91Å; N185-V188 VanDerWaalsContact O-N 3.14Å; N185-V188 PolarHBondContact OD1-N 2.57Å; V188-E190 VanDerWaalsContact C-N 3.33Å; V188-E190 PolarHBondContact O-N 2.91Å; V188-V191 PolarHBondContact O-N 2.92Å; V188-N192 PolarHBondContact O-N 2.95Å; V188-N192 VanDerWaalsContact O-N 3.14Å; V188-N192 PolarHBondContact O-ND2 2.97Å
189	Q	98.7	Very high	97.6	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-42.7	177.2	-162.9	172.1	-9.2	0	0	111.5	D168 L169 W179 S183 N185 V191 N192 R193	D168-Q189 PolarHBondContact O-NE2 3.07Å; L169-Q189 HydrophobicContact CD1-CG 3.89Å; L169-Q189 PolarHBondContact O-NE2 3.19Å; W179-Q189 HydrophobicContact CE3-CB 4.44Å; W179-Q189 HydrophobicContact CE3-CG 4.15Å; W179-Q189 HydrophobicContact CH2-CB 4.37Å; W179-Q189 HydrophobicContact CZ3-CB 3.7Å; W179-Q189 HydrophobicContact CZ3-CG 3.9Å; S183-Q189 PolarHBondContact OG-OE1 2.93Å; N185-Q189 PolarHBondContact O-N 3.06Å; Q189-V191 VanDerWaalsContact C-N 3.35Å; Q189-V191 PolarHBondContact O-N 2.92Å; Q189-N192 PolarHBondContact O-N 2.78Å; Q189-N192 VanDerWaalsContact O-N 3.16Å; Q189-R193 HydrophobicContact CG-CG 4.36Å; Q189-R193 WeakPolarHBondContact O-CB 3.14Å; Q189-R193 VanDerWaalsContact O-CG 3.27Å; Q189-R193 WeakPolarHBondContact O-CG 3.14Å; Q189-R193 PolarHBondContact O-N 2.93Å
190	E	98.3	Very high	97.7	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-45.3	176.3	-179	60.5	-153.2	0	0	111.7	W179 S186 V188 N192 R193 Q194	W179-E190 HydrophobicContact CH2-CB 4Å; W179-E190 HydrophobicContact CZ2-CB 4.38Å; W179-E190 WeakPolarHBondContact CZ2-OE2 3.38Å; S186-E190 VanDerWaalsContact O-CB 3.25Å; S186-E190 WeakPolarHBondContact O-CB 3.37Å; S186-E190 PolarHBondContact O-N 3.3Å; V188-E190 VanDerWaalsContact C-N 3.33Å; V188-E190 PolarHBondContact O-N 2.91Å; E190-N192 VanDerWaalsContact C-N 3.29Å; E190-N192 PolarHBondContact O-N 3.32Å; E190-R193 PolarHBondContact O-N 2.79Å; E190-Q194 WeakPolarHBondContact O-CG 3.47Å; E190-Q194 PolarHBondContact O-N 3.45Å; E190-Q194 PolarHBondContact OE1-NE2 3.1Å
191	V	98.1	Very high	97.7	Very high	79 Å²	79	56.2 Å²	56.2	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-42.9	177.2	169.9	0	0	0	0	111	A187 V188 Q189 Q194 K195	A187-V191 WeakPolarHBondContact O-CG2 3.38Å; A187-V191 PolarHBondContact O-N 2.93Å; V188-V191 PolarHBondContact O-N 2.92Å; Q189-V191 VanDerWaalsContact C-N 3.35Å; Q189-V191 PolarHBondContact O-N 2.92Å; V191-Q194 PolarHBondContact O-N 3.21Å; V191-K195 WeakPolarHBondContact O-CG 3.29Å; V191-K195 PolarHBondContact O-N 2.9Å; V191-K195 VanDerWaalsContact O-N 3.08Å
192	N	98.5	Very high	97.9	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-73.6	-34.5	179.8	-69.8	-42.5	0	0	0	112.7	P144 L169 V188 Q189 E190 Q194 K195 A196	P144-N192 WeakPolarHBondContact CD-ND2 3.43Å; P144-N192 PolarHBondContact O-ND2 3.5Å; L169-N192 HydrophobicContact CD1-CB 3.76Å; V188-N192 PolarHBondContact O-N 2.95Å; V188-N192 VanDerWaalsContact O-N 3.14Å; V188-N192 PolarHBondContact O-ND2 2.97Å; Q189-N192 PolarHBondContact O-N 2.78Å; Q189-N192 VanDerWaalsContact O-N 3.16Å; E190-N192 VanDerWaalsContact C-N 3.29Å; E190-N192 PolarHBondContact O-N 3.32Å; N192-Q194 PolarHBondContact O-N 3.36Å; N192-K195 PolarHBondContact O-N 2.83Å; N192-K195 PolarHBondContact OD1-NZ 2.76Å; N192-A196 WeakPolarHBondContact O-CB 3.42Å; N192-A196 PolarHBondContact O-N 2.86Å
193	R	98.4	Very high	98	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-45.1	170.5	-72.3	170.4	65.6	89.8	-2	111	L169 F170 D175 D176 Q189 E190 K195 A196 L197	L169-R193 HydrophobicContact CD1-CG 3.76Å; L169-R193 HydrophobicContact CG-CG 4Å; L169-R193 WeakPolarHBondContact O-CD 3.3Å; L169-R193 VanDerWaalsContact O-CG 3.29Å; L169-R193 WeakPolarHBondContact O-CG 3.5Å; L169-R193 PolarHBondContact O-NH1 3.49Å; F170-R193 VanDerWaalsContact CD1-CZ 3.41Å; F170-R193 HydrophobicContact CE1-CB 4.12Å; F170-R193 HydrophobicContact CE1-CG 4.05Å; F170-R193 HydrophobicContact CE2-CB 4.36Å; F170-R193 HydrophobicContact CE2-CG 4.13Å; F170-R193 HydrophobicContact CZ-CB 3.72Å; F170-R193 HydrophobicContact CZ-CG 3.81Å; D175-R193 IonicContact OD1-CZ 2.75Å; D175-R193 IonicContact OD1-NH1 3.11Å; D175-R193 IonicContact OD1-NH2 3.9Å; D175-R193 PolarHBondContact OD1-NH2 3.24Å; D175-R193 IonicContact OD2-CZ 2.72Å; D175-R193 IonicContact OD2-NH1 3.68Å; D175-R193 PolarHBondContact OD2-NH1 3.26Å; D175-R193 IonicContact OD2-NH2 3.37Å; D175-R193 PolarHBondContact OD2-NH2 3.24Å; D176-R193 IonicContact OD1-NH2 3.42Å; Q189-R193 HydrophobicContact CG-CG 4.36Å; Q189-R193 WeakPolarHBondContact O-CB 3.14Å; Q189-R193 VanDerWaalsContact O-CG 3.27Å; Q189-R193 WeakPolarHBondContact O-CG 3.14Å; Q189-R193 PolarHBondContact O-N 2.93Å; E190-R193 PolarHBondContact O-N 2.79Å; R193-K195 PolarHBondContact O-N 3.08Å; R193-A196 PolarHBondContact O-N 3.18Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.45Å; R193-L197 PolarHBondContact O-N 2.86Å
194	Q	97.6	Very high	98.1	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-39.2	176.8	-67	-57.8	-36.8	0	0	112.2	E190 V191 N192 N198	E190-Q194 WeakPolarHBondContact O-CG 3.47Å; E190-Q194 PolarHBondContact O-N 3.45Å; E190-Q194 PolarHBondContact OE1-NE2 3.1Å; V191-Q194 PolarHBondContact O-N 3.21Å; N192-Q194 PolarHBondContact O-N 3.36Å; Q194-N198 PolarHBondContact O-N 3.38Å; Q194-N198 VanDerWaalsContact O-N 3.14Å; Q194-N198 PolarHBondContact O-ND2 3.1Å
195	K	97.5	Very high	98.1	Very high	120 Å²	120	38 Å²	38	52%	0.522	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-47.9	172.8	-70.6	172.7	-172.1	168.4	0	111.4	V191 N192 R193 L197 N198 T199	V191-K195 WeakPolarHBondContact O-CG 3.29Å; V191-K195 PolarHBondContact O-N 2.9Å; V191-K195 VanDerWaalsContact O-N 3.08Å; N192-K195 PolarHBondContact O-N 2.83Å; N192-K195 PolarHBondContact OD1-NZ 2.76Å; R193-K195 PolarHBondContact O-N 3.08Å; K195-L197 PolarHBondContact O-N 2.72Å; K195-N198 WeakPolarHBondContact O-CB 3.2Å; K195-N198 PolarHBondContact O-N 2.99Å; K195-T199 PolarHBondContact O-N 3.36Å; K195-T199 VanDerWaalsContact O-N 3.15Å; K195-T199 PolarHBondContact O-OG1 2.88Å
196	A	98.2	Very high	98.1	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-45	178.1	0	0	0	0	0	112.5	L164 L169 F170 N192 R193 N198 T199 A200 I203	L164-A196 HydrophobicContact CD2-CB 3.44Å; L164-A196 VanDerWaalsContact CD2-CB 3.44Å; L169-A196 HydrophobicContact CD2-CB 3.98Å; F170-A196 HydrophobicContact CE2-CB 3.76Å; F170-A196 HydrophobicContact CZ-CB 4.17Å; N192-A196 WeakPolarHBondContact O-CB 3.42Å; N192-A196 PolarHBondContact O-N 2.86Å; R193-A196 PolarHBondContact O-N 3.18Å; A196-N198 PolarHBondContact O-N 3.37Å; A196-T199 PolarHBondContact O-N 2.83Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.3Å; A196-A200 PolarHBondContact O-N 2.85Å; A196-I203 HydrophobicContact CB-CD1 4.23Å
197	L	97.5	Very high	98.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-24	175.9	-68	169.4	0	0	0	113.1	Y8 F170 R193 K195 I203 F211 V213	Y8-L197 HydrophobicContact CD1-CB 4.41Å; Y8-L197 WeakPolarHBondContact CD1-O 3.2Å; Y8-L197 HydrophobicContact CD2-CB 4.03Å; Y8-L197 HydrophobicContact CD2-CD1 4.32Å; Y8-L197 WeakPolarHBondContact CE1-O 3.5Å; Y8-L197 HydrophobicContact CE2-CB 4.2Å; Y8-L197 HydrophobicContact CG-CB 4.16Å; F170-L197 HydrophobicContact CE1-CD1 4.43Å; F170-L197 HydrophobicContact CE1-CD2 4.25Å; F170-L197 HydrophobicContact CE1-CG 4.27Å; F170-L197 HydrophobicContact CZ-CD1 4.46Å; F170-L197 HydrophobicContact CZ-CD2 4.23Å; F170-L197 HydrophobicContact CZ-CG 3.97Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.45Å; R193-L197 PolarHBondContact O-N 2.86Å; K195-L197 PolarHBondContact O-N 2.72Å; L197-I203 HydrophobicContact CD2-CD1 4.02Å; L197-F211 HydrophobicContact CD2-CE2 4.33Å; L197-V213 HydrophobicContact CB-CG1 4.48Å; L197-V213 HydrophobicContact CD2-CG1 4.06Å; L197-V213 HydrophobicContact CD2-CG2 3.93Å; L197-V213 WeakPolarHBondContact O-CG1 3.33Å
198	N	96.6	Very high	98.1	Very high	73 Å²	73	30 Å²	30	39%	0.39	16%	0.16	S	C	.	.	H	α-helix	trans	-78.4	-34.9	175.6	-85.7	-63.1	0	0	0	113.3	Y8 Q194 K195 A196 K215	Y8-N198 PolarHBondContact OH-ND2 2.92Å; Y8-N198 VanDerWaalsContact OH-ND2 3.14Å; Y8-N198 PolarHBondContact OH-OD1 2.81Å; Q194-N198 PolarHBondContact O-N 3.38Å; Q194-N198 VanDerWaalsContact O-N 3.14Å; Q194-N198 PolarHBondContact O-ND2 3.1Å; K195-N198 WeakPolarHBondContact O-CB 3.2Å; K195-N198 PolarHBondContact O-N 2.99Å; A196-N198 PolarHBondContact O-N 3.37Å; N198-K215 WeakPolarHBondContact O-CE 3.33Å; N198-K215 PolarHBondContact O-NZ 2.79Å
199	T	95.6	Very high	98.2	Very high	69 Å²	69	29.2 Å²	29.2	42%	0.423	15%	0.154	S	C	.	.	H	α-helix	trans	-101.4	-38.2	-169.3	56.9	0	0	0	0	113.3	K195 A196	K195-T199 PolarHBondContact O-N 3.36Å; K195-T199 VanDerWaalsContact O-N 3.15Å; K195-T199 PolarHBondContact O-OG1 2.88Å; A196-T199 PolarHBondContact O-N 2.83Å
200	A	98.2	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.			trans	-82.8	143.2	-175	0	0	0	0	0	112.5	L164 A196 I203	L164-A200 HydrophobicContact CB-CB 3.84Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.3Å; A196-A200 PolarHBondContact O-N 2.85Å; A200-I203 HydrophobicContact CB-CD1 4.3Å; A200-I203 HydrophobicContact CB-CG1 3.72Å
201	D	98.4	Very high	98.2	Very high	55 Å²	55	26.2 Å²	26.2	29%	0.294	14%	0.14	S	C	.	.	S	Bend	trans	-93	-31	169.5	-61.7	-66.2	0	0	0	111	V160 G161 T162 R212 V213	V160-D201 WeakPolarHBondContact O-CB 3.3Å; G161-D201 WeakPolarHBondContact CA-OD2 3.24Å; T162-D201 PolarHBondContact N-OD2 2.92Å; T162-D201 PolarHBondContact O-N 3.04Å; D201-R212 WeakPolarHBondContact O-CA 3.44Å; D201-V213 PolarHBondContact O-N 2.78Å
202	V	98.8	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	170.9	172	0	0	0	0	110	L13 F20 V160 T162 V163 L164 P210 F211 R212	L13-V202 HydrophobicContact CD1-CG1 4.25Å; L13-V202 HydrophobicContact CD1-CG2 4.45Å; F20-V202 HydrophobicContact CE1-CG1 3.94Å; F20-V202 HydrophobicContact CE1-CG2 4.33Å; F20-V202 HydrophobicContact CE2-CG1 4.38Å; F20-V202 HydrophobicContact CZ-CG1 3.83Å; V160-V202 HydrophobicContact CB-CG2 4.03Å; V160-V202 HydrophobicContact CG2-CB 4.27Å; V160-V202 HydrophobicContact CG2-CG2 3.72Å; T162-V202 PolarHBondContact O-N 2.82Å; T162-V202 VanDerWaalsContact O-N 3.09Å; V163-V202 CarbonylContact C-O 3.51Å; V163-V202 WeakPolarHBondContact CA-O 3.12Å; V163-V202 HydrophobicContact CG1-CG1 4.5Å; V163-V202 HydrophobicContact CG2-CB 4.31Å; L164-V202 PolarHBondContact N-O 3.13Å; V202-P210 HydrophobicContact CG1-CB 4.37Å; V202-F211 WeakPolarHBondContact CA-O 3.48Å; V202-R212 HydrophobicContact CG2-CG 3.84Å
203	I	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.8	173.3	-64	177.6	0	0	0	108.8	L164 A166 F170 A196 L197 A200 P210 F211 V213	L164-I203 HydrophobicContact CB-CG1 4.43Å; L164-I203 WeakPolarHBondContact O-CA 3.44Å; A166-I203 HydrophobicContact CB-CG2 3.81Å; F170-I203 HydrophobicContact CD2-CD1 4.37Å; F170-I203 HydrophobicContact CD2-CG2 3.81Å; F170-I203 HydrophobicContact CE2-CD1 3.81Å; F170-I203 HydrophobicContact CE2-CG2 4.28Å; F170-I203 HydrophobicContact CG-CG2 4.23Å; F170-I203 HydrophobicContact CZ-CD1 3.92Å; A196-I203 HydrophobicContact CB-CD1 4.23Å; L197-I203 HydrophobicContact CD2-CD1 4.02Å; A200-I203 HydrophobicContact CB-CD1 4.3Å; A200-I203 HydrophobicContact CB-CG1 3.72Å; I203-P210 CarbonylContact O-C 3.51Å; I203-P210 VanDerWaalsContact O-CA 3.3Å; I203-P210 WeakPolarHBondContact O-CA 3.47Å; I203-F211 HydrophobicContact CB-CD1 4.35Å; I203-F211 HydrophobicContact CB-CD2 4.37Å; I203-F211 HydrophobicContact CB-CE1 3.79Å; I203-F211 HydrophobicContact CB-CE2 3.82Å; I203-F211 HydrophobicContact CB-CZ 3.5Å; I203-F211 HydrophobicContact CD1-CE2 3.86Å; I203-F211 HydrophobicContact CD1-CZ 3.84Å; I203-F211 HydrophobicContact CG1-CE2 4.23Å; I203-F211 HydrophobicContact CG1-CZ 4.2Å; I203-F211 HydrophobicContact CG2-CE1 3.63Å; I203-F211 HydrophobicContact CG2-CE2 4.35Å; I203-F211 HydrophobicContact CG2-CZ 3.53Å; I203-F211 PolarHBondContact N-O 3.16Å; I203-F211 PolarHBondContact O-N 3Å; I203-V213 HydrophobicContact CD1-CG2 3.84Å; I203-V213 HydrophobicContact CG1-CG2 4.07Å
204	I	98.9	Very high	98	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	106.5	171.8	-62.2	165.3	0	0	0	107.2	F20 V27 V29 T48 T50 V163 L164 V165 A166 P210	F20-I204 HydrophobicContact CD2-CD1 4.37Å; F20-I204 HydrophobicContact CE2-CD1 3.97Å; F20-I204 HydrophobicContact CE2-CG1 4.28Å; V27-I204 HydrophobicContact CG1-CD1 3.87Å; V29-I204 HydrophobicContact CG2-CD1 3.79Å; V29-I204 HydrophobicContact CG2-CG1 4.06Å; V29-I204 HydrophobicContact CG2-CG2 3.95Å; T48-I204 HydrophobicContact CG2-CG2 3.43Å; T48-I204 VanDerWaalsContact CG2-CG2 3.43Å; T50-I204 HydrophobicContact CG2-CD1 4.1Å; V163-I204 HydrophobicContact CG1-CD1 3.64Å; V163-I204 HydrophobicContact CG1-CG1 4.22Å; L164-I204 PolarHBondContact O-N 2.68Å; V165-I204 HydrophobicContact CG1-CB 4.5Å; V165-I204 HydrophobicContact CG1-CG2 4.43Å; V165-I204 HydrophobicContact CG2-CD1 4.09Å; A166-I204 PolarHBondContact N-O 2.8Å; I204-P210 HydrophobicContact CG1-CB 4.04Å; I204-P210 HydrophobicContact CG1-CG 4.04Å; I204-P210 HydrophobicContact CG2-CG 4.48Å
205	P	98.9	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	169.6	-177.5	34.7	-35.3	0	0	0	112.4	T48 F170 G208 L209 F211	T48-P205 VanDerWaalsContact CB-O 3.24Å; T48-P205 WeakPolarHBondContact CB-O 3.46Å; T48-P205 PolarHBondContact OG1-O 2.95Å; F170-P205 HydrophobicContact CB-CB 3.89Å; F170-P205 WeakPolarHBondContact O-CA 3.1Å; F170-P205 WeakPolarHBondContact O-CB 3.45Å; P205-G208 WeakPolarHBondContact CG-O 3.34Å; P205-L209 WeakPolarHBondContact CD-O 3.38Å; P205-L209 WeakPolarHBondContact CG-O 3.42Å; P205-F211 HydrophobicContact CB-CE1 4.36Å; P205-F211 HydrophobicContact CG-CD1 4.37Å; P205-F211 HydrophobicContact CG-CE1 4.33Å
206	G	98.7	Very high	96.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	18%	0.178	C	C	.	.	S	Bend	trans	-70.1	-39.5	-179.1	0	0	0	0	0	114.7	G47 T48 G167 D168 F170	G47-G206 CarbonylContact C-O 3.36Å; G47-G206 WeakPolarHBondContact CA-O 3.26Å; T48-G206 PolarHBondContact N-O 3.25Å; T48-G206 PolarHBondContact OG1-O 3.44Å; G167-G206 PolarHBondContact O-N 2.9Å; D168-G206 WeakPolarHBondContact OD1-CA 3.45Å; F170-G206 PolarHBondContact O-N 2.79Å
207	H	98.6	Very high	96.1	Very high	16 Å²	16	35.1 Å²	35.1	7%	0.074	19%	0.185	C	C	.	.	S	Bend	trans	-130.7	44.4	-171.7	-63	-59.2	0	0	0	113.4	G33 Y34 C35 D46 D96 H97 D168 E171	G33-H207 CarbonylContact O-C 3.58Å; Y34-H207 PolarHBondContact O-ND1 3.09Å; C35-H207 HydrophobicContact CB-CB 4Å; D46-H207 PolarHBondContact O-ND1 3.44Å; D96-H207 IonicContact OD2-CE1 3.75Å; D96-H207 PolarHBondContact OD2-CE1 2.64Å; D96-H207 IonicContact OD2-NE2 2.76Å; H97-H207 AromaticContact NE2-CE1 3.65Å; H97-H207 AromaticContact NE2-NE2 3.67Å; D168-H207 IonicContact OD1-CD2 3.9Å; D168-H207 IonicContact OD1-NE2 2.53Å; D168-H207 IonicContact OD2-NE2 2.6Å; E171-H207 HydrophobicContact CG-CB 4.44Å; E171-H207 CarbonylContact O-C 3.54Å; E171-H207 WeakPolarHBondContact O-CA 3.32Å; E171-H207 WeakPolarHBondContact O-CB 3.47Å; E171-H207 PolarHBondContact O-N 3.24Å; E171-H207 VanDerWaalsContact OE1-CB 3.29Å; E171-H207 WeakPolarHBondContact OE1-CB 3.47Å; E171-H207 IonicContact OE1-CD2 3.28Å; E171-H207 PolarHBondContact OE1-CD2 2.87Å; E171-H207 IonicContact OE1-CG 3.67Å; E171-H207 IonicContact OE2-CD2 3.6Å; E171-H207 PolarHBondContact OE2-CD2 2.89Å; E171-H207 VanDerWaalsContact OE2-CD2 3.32Å
208	G	98.3	Very high	96	Very high	10 Å²	10	36.8 Å²	36.8	10%	0.103	19%	0.194	C	C	.	.	S	Bend	trans	-178.6	-173.5	172.6	0	0	0	0	0	114.8	V32 G33 P205	V32-G208 VanDerWaalsContact CG1-C 3.46Å; V32-G208 WeakPolarHBondContact CG1-O 3.45Å; G33-G208 WeakPolarHBondContact O-CA 3.31Å; G33-G208 PolarHBondContact O-N 3.31Å; P205-G208 WeakPolarHBondContact CG-O 3.34Å
209	L	98.6	Very high	96	Very high	37 Å²	37	34.8 Å²	34.8	19%	0.194	18%	0.183	C	C	.	.			trans	-64.9	145.7	178.8	-82.5	163.6	0	0	0	112.2	L13 D15 L18 V32 P205	L13-L209 WeakPolarHBondContact O-CD1 3.44Å; D15-L209 WeakPolarHBondContact OD1-CD2 3.31Å; L18-L209 HydrophobicContact CD2-CD2 4.05Å; V32-L209 HydrophobicContact CG1-CD2 4.03Å; V32-L209 HydrophobicContact CG1-CG 3.99Å; V32-L209 HydrophobicContact CG2-CD2 3.84Å; P205-L209 WeakPolarHBondContact CD-O 3.38Å; P205-L209 WeakPolarHBondContact CG-O 3.42Å
210	P	98.8	Very high	96	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.169	C	C	.	.			trans	-56.2	154.5	169.3	-23.4	34.4	0	0	0	111.9	L13 L18 F20 V29 V202 I203 I204	L13-P210 VanDerWaalsContact CB-O 3.3Å; L13-P210 WeakPolarHBondContact CB-O 3.47Å; L13-P210 HydrophobicContact CD1-CB 4.1Å; L13-P210 PolarHBondContact N-O 2.98Å; L18-P210 HydrophobicContact CD2-CG 3.97Å; F20-P210 HydrophobicContact CZ-CB 4.06Å; F20-P210 HydrophobicContact CZ-CG 4.35Å; V29-P210 HydrophobicContact CG2-CG 3.79Å; V202-P210 HydrophobicContact CG1-CB 4.37Å; I203-P210 CarbonylContact O-C 3.51Å; I203-P210 VanDerWaalsContact O-CA 3.3Å; I203-P210 WeakPolarHBondContact O-CA 3.47Å; I204-P210 HydrophobicContact CG1-CB 4.04Å; I204-P210 HydrophobicContact CG1-CG 4.04Å; I204-P210 HydrophobicContact CG2-CG 4.48Å
211	F	98.6	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.2	177	62.5	-87.9	0	0	0	112.5	R10 V11 F170 W173 L197 V202 I203 P205 V213	R10-F211 HydrophobicContact CB-CD2 4Å; R10-F211 HydrophobicContact CB-CE2 4.45Å; R10-F211 HydrophobicContact CG-CD2 4.05Å; R10-F211 HydrophobicContact CG-CE2 4Å; V11-F211 CarbonylContact O-C 3.56Å; V11-F211 VanDerWaalsContact O-CA 3.3Å; V11-F211 WeakPolarHBondContact O-CA 3.4Å; V11-F211 WeakPolarHBondContact O-CB 3.41Å; F170-F211 HydrophobicContact CB-CE1 4.34Å; F170-F211 HydrophobicContact CB-CZ 4.46Å; F170-F211 HydrophobicContact CD1-CE1 4.44Å; F170-F211 AromaticContact CD1-CZ 3.8Å; F170-F211 HydrophobicContact CD1-CZ 3.8Å; F170-F211 HydrophobicContact CE1-CZ 4.19Å; F170-F211 HydrophobicContact CG-CE1 4.41Å; F170-F211 HydrophobicContact CG-CZ 4.05Å; W173-F211 HydrophobicContact CB-CB 3.72Å; W173-F211 HydrophobicContact CB-CD1 3.66Å; W173-F211 HydrophobicContact CB-CE1 4.47Å; W173-F211 HydrophobicContact CB-CG 3.82Å; L197-F211 HydrophobicContact CD2-CE2 4.33Å; V202-F211 WeakPolarHBondContact CA-O 3.48Å; I203-F211 HydrophobicContact CB-CD1 4.35Å; I203-F211 HydrophobicContact CB-CD2 4.37Å; I203-F211 HydrophobicContact CB-CE1 3.79Å; I203-F211 HydrophobicContact CB-CE2 3.82Å; I203-F211 HydrophobicContact CB-CZ 3.5Å; I203-F211 HydrophobicContact CD1-CE2 3.86Å; I203-F211 HydrophobicContact CD1-CZ 3.84Å; I203-F211 HydrophobicContact CG1-CE2 4.23Å; I203-F211 HydrophobicContact CG1-CZ 4.2Å; I203-F211 HydrophobicContact CG2-CE1 3.63Å; I203-F211 HydrophobicContact CG2-CE2 4.35Å; I203-F211 HydrophobicContact CG2-CZ 3.53Å; I203-F211 PolarHBondContact N-O 3.16Å; I203-F211 PolarHBondContact O-N 3Å; P205-F211 HydrophobicContact CB-CE1 4.36Å; P205-F211 HydrophobicContact CG-CD1 4.37Å; P205-F211 HydrophobicContact CG-CE1 4.33Å; F211-V213 HydrophobicContact CD2-CG2 4.26Å; F211-V213 HydrophobicContact CE2-CG2 4.04Å
212	R	98.2	Very high	95.7	Very high	82 Å²	82	33.5 Å²	33.5	31%	0.309	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144.7	171.6	-78.4	176.2	-173.8	-73.2	-1.1	111.1	R10 V11 L13 D201 V202	R10-R212 WeakPolarHBondContact CA-O 3.33Å; V11-R212 HydrophobicContact CB-CB 4.37Å; V11-R212 PolarHBondContact N-O 3.25Å; V11-R212 PolarHBondContact O-N 3.01Å; L13-R212 HydrophobicContact CD1-CG 4.34Å; L13-R212 HydrophobicContact CD2-CG 3.96Å; L13-R212 HydrophobicContact CG-CG 4.39Å; D201-R212 WeakPolarHBondContact O-CA 3.44Å; V202-R212 HydrophobicContact CG2-CG 3.84Å
213	V	97.7	Very high	95.4	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.4	172.7	-172.5	0	0	0	0	108.7	Y8 L197 D201 I203 F211	Y8-V213 HydrophobicContact CD1-CG1 4.06Å; Y8-V213 HydrophobicContact CG-CG1 4.3Å; L197-V213 HydrophobicContact CB-CG1 4.48Å; L197-V213 HydrophobicContact CD2-CG1 4.06Å; L197-V213 HydrophobicContact CD2-CG2 3.93Å; L197-V213 WeakPolarHBondContact O-CG1 3.33Å; D201-V213 PolarHBondContact O-N 2.78Å; I203-V213 HydrophobicContact CD1-CG2 3.84Å; I203-V213 HydrophobicContact CG1-CG2 4.07Å; F211-V213 HydrophobicContact CD2-CG2 4.26Å; F211-V213 HydrophobicContact CE2-CG2 4.04Å
214	L	94.5	Very high	95.2	Very high	78 Å²	78	38.7 Å²	38.7	41%	0.408	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.4	177.6	-55.6	179	0	0	0	109.2	Y8 R9 V11	Y8-L214 CarbonylContact C-O 3.59Å; Y8-L214 VanDerWaalsContact CA-O 3.32Å; Y8-L214 WeakPolarHBondContact CA-O 3.25Å; R9-L214 HydrophobicContact CB-CB 4.26Å; R9-L214 PolarHBondContact N-O 3.31Å; R9-L214 PolarHBondContact O-N 3.25Å; V11-L214 HydrophobicContact CG2-CD1 3.69Å; V11-L214 HydrophobicContact CG2-CG 4.29Å
215	K	88	Confident	94.9	Very high	127 Å²	127	41.8 Å²	41.8	55%	0.552	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.8	175.6	-62.2	171.8	-177.5	173	0	108.7	Y8 N198	Y8-K215 HydrophobicContact CD1-CG 4.28Å; Y8-K215 HydrophobicContact CE1-CG 4.44Å; N198-K215 WeakPolarHBondContact O-CE 3.33Å; N198-K215 PolarHBondContact O-NZ 2.79Å
216	T	69.6	Low	94.5	Very high	143 Å²	143	45.6 Å²	45.6	88%	0.877	23%	0.234	S	C	*	.			trans	-94.9	0	178.3	56.1	0	0	0	0	112.1	D6 R7	D6-T216 PolarHBondContact O-OG1 2.8Å; R7-T216 WeakPolarHBondContact CA-OG1 3.42Å; R7-T216 PolarHBondContact O-N 3Å; R7-T216 PolarHBondContact O-OG1 3.02Å; R7-T216 VanDerWaalsContact O-OG1 3.07Å

Retrieved 216 of 216 residues in 398.3 ms (Link to these results)

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