A0A3Q0KNU4_SCHMA Loading...

Putative four and A half lim domains

AlphaFold DB , UniProt , Accession A0A3Q0KNU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 285 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	34.2	Very low	51.3	Low	230 Å²	230	131.7 Å²	131.7	100%	1.133	73%	0.731	S	S	*	*				0	106.4	0	-65.8	178.9	-63.1	0	0	105.2	D3	M1-D3 PolarHBondContact O-N 2.83Å
2	S	42.5	Very low	53.8	Low	109 Å²	109	134.8 Å²	134.8	76%	0.762	74%	0.736	S	S	*	*			trans	-77.7	108.4	172.2	45.3	0	0	0	0	106.5	E4	S2-E4 PolarHBondContact O-N 3.14Å
3	D	41.4	Very low	56.6	Low	149 Å²	149	127.5 Å²	127.5	80%	0.797	69%	0.692	S	S	*	*			trans	-64.4	104.1	169.8	-68.7	-37.1	0	0	0	107.2	M1 V5	M1-D3 PolarHBondContact O-N 2.83Å; D3-V5 PolarHBondContact O-N 2.95Å
4	E	47.7	Very low	59.3	Low	168 Å²	168	120.6 Å²	120.6	79%	0.785	65%	0.654	S	S	*	*			trans	-66.2	101.8	166.1	-74.7	-174	161.6	0	0	106.8	S2 I6	S2-E4 PolarHBondContact O-N 3.14Å; E4-I6 VanDerWaalsContact C-N 3.35Å; E4-I6 PolarHBondContact O-N 3.04Å
5	V	51.7	Low	61.7	Low	93 Å²	93	112.7 Å²	112.7	56%	0.564	61%	0.612	S	S	*	*			trans	-65.8	99.9	168.8	-176.9	0	0	0	0	107	D3 V7	D3-V5 PolarHBondContact O-N 2.95Å; V5-V7 HydrophobicContact CG1-CG2 4.23Å; V5-V7 PolarHBondContact O-N 2.96Å
6	I	56.8	Low	63.8	Low	148 Å²	148	109.5 Å²	109.5	76%	0.759	60%	0.601	S	S	*	*			trans	-72.7	95.2	171.2	-57.3	176.9	0	0	0	106.7	E4	E4-I6 VanDerWaalsContact C-N 3.35Å; E4-I6 PolarHBondContact O-N 3.04Å
7	V	53.3	Low	65.6	Low	51 Å²	51	107.4 Å²	107.4	31%	0.309	59%	0.589	S	S	.	*			trans	-74.4	125	174.2	-160.3	0	0	0	0	108.2	V5 E11 F13	V5-V7 HydrophobicContact CG1-CG2 4.23Å; V5-V7 PolarHBondContact O-N 2.96Å; V7-E11 HydrophobicContact CG1-CB 3.98Å; V7-F13 HydrophobicContact CG1-CB 4.09Å; V7-F13 HydrophobicContact CG2-CB 4.42Å; V7-F13 HydrophobicContact CG2-CG 4.35Å
8	N	56.6	Low	67.3	Low	107 Å²	107	105.1 Å²	105.1	57%	0.572	58%	0.58	S	S	*	*			trans	-59	140.5	173.9	-82.8	-41.3	0	0	0	110	N10 E11	N8-N10 PolarHBondContact O-N 3.46Å; N8-E11 HydrophobicContact CB-CG 4.39Å; N8-E11 PolarHBondContact O-N 2.88Å
9	A	58	Low	68.7	Low	112 Å²	112	105.3 Å²	105.3	93%	0.926	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-9.2	-174.9	0	0	0	0	0	115.8
10	N	56.6	Low	69.9	Low	166 Å²	166	105 Å²	105	89%	0.888	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	0.4	178	-90	-3.9	0	0	0	114.6	N8	N8-N10 PolarHBondContact O-N 3.46Å
11	E	65.2	Low	71	Confident	116 Å²	116	102.6 Å²	102.6	54%	0.542	57%	0.568	S	S	.	*	S	Bend	trans	-97.7	122.8	179	-72.9	174	178.9	0	0	110.8	V7 N8 F13	V7-E11 HydrophobicContact CG1-CB 3.98Å; N8-E11 HydrophobicContact CB-CG 4.39Å; N8-E11 PolarHBondContact O-N 2.88Å; E11-F13 PolarHBondContact O-N 3.49Å; E11-F13 VanDerWaalsContact O-N 3.14Å
12	Q	81.2	Confident	73.8	Confident	169 Å²	169	91.7 Å²	91.7	79%	0.79	52%	0.515	S	S	*	.			trans	-71.8	105.3	176.1	-75.9	-178.6	-5.7	0	0	110.2	N14	Q12-N14 PolarHBondContact O-N 3.03Å
13	F	90.7	Very high	76.2	Confident	40 Å²	40	92.1 Å²	92.1	18%	0.175	51%	0.507	C	S	.	.			trans	-96.7	84.8	172.9	-165.9	-110	0	0	0	110.4	V7 E11 L22 Y27 P34	V7-F13 HydrophobicContact CG1-CB 4.09Å; V7-F13 HydrophobicContact CG2-CB 4.42Å; V7-F13 HydrophobicContact CG2-CG 4.35Å; E11-F13 PolarHBondContact O-N 3.49Å; E11-F13 VanDerWaalsContact O-N 3.14Å; F13-L22 HydrophobicContact CD1-CB 3.67Å; F13-L22 HydrophobicContact CD1-CD1 4.37Å; F13-L22 HydrophobicContact CE1-CB 3.9Å; F13-L22 HydrophobicContact CE1-CD1 4.12Å; F13-L22 WeakPolarHBondContact O-CB 3.32Å; F13-L22 PolarHBondContact O-N 2.93Å; F13-Y27 AromaticContact CE1-CD1 3.83Å; F13-Y27 HydrophobicContact CE1-CD1 3.83Å; F13-Y27 HydrophobicContact CE1-CD2 4.06Å; F13-Y27 AromaticContact CE1-CE1 3.72Å; F13-Y27 HydrophobicContact CE1-CE1 3.72Å; F13-Y27 AromaticContact CE1-CE2 3.96Å; F13-Y27 HydrophobicContact CE1-CE2 3.96Å; F13-Y27 HydrophobicContact CE1-CG 4Å; F13-Y27 AromaticContact CE1-CZ 3.78Å; F13-Y27 HydrophobicContact CZ-CD1 4.48Å; F13-Y27 AromaticContact CZ-CD2 3.97Å; F13-Y27 HydrophobicContact CZ-CD2 3.97Å; F13-Y27 HydrophobicContact CZ-CE1 4.19Å; F13-Y27 AromaticContact CZ-CE2 3.63Å; F13-Y27 HydrophobicContact CZ-CE2 3.63Å; F13-Y27 HydrophobicContact CZ-CG 4.38Å; F13-Y27 AromaticContact CZ-CZ 3.75Å; F13-P34 HydrophobicContact CD2-CG 4.37Å; F13-P34 HydrophobicContact CE1-CB 4.26Å; F13-P34 HydrophobicContact CE2-CB 3.93Å; F13-P34 HydrophobicContact CE2-CG 3.8Å; F13-P34 HydrophobicContact CZ-CB 3.61Å; F13-P34 HydrophobicContact CZ-CG 4.02Å
14	N	94.7	Very high	78.5	Confident	30 Å²	30	88.9 Å²	88.9	16%	0.16	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-113	156.4	-173.8	-62.9	-14.3	0	0	0	111.9	Q12 S16 N19 L20 S21	Q12-N14 PolarHBondContact O-N 3.03Å; N14-S16 PolarHBondContact O-N 3.47Å; N14-N19 VanDerWaalsContact CB-OD1 3.32Å; N14-N19 WeakPolarHBondContact CB-OD1 3.17Å; N14-N19 PolarHBondContact ND2-OD1 2.78Å; N14-L20 CarbonylContact C-O 3.57Å; N14-L20 WeakPolarHBondContact CA-O 3.33Å; N14-S21 WeakPolarHBondContact OD1-CA 3.43Å
15	C	95	Very high	80.5	Confident	2 Å²	2	86.6 Å²	86.6	1%	0.014	50%	0.498	C	S	.	.			trans	-59.6	124.6	170.7	175.8	0	0	0	0	110.6	N17 N19 L20 L22 C36	C15-N17 PolarHBondContact O-N 3.02Å; C15-N17 PolarHBondContact SG-N 3.12Å; C15-N19 WeakPolarHBondContact O-CA 3.44Å; C15-N19 PolarHBondContact O-N 2.86Å; C15-L20 HydrophobicContact CB-CB 4.42Å; C15-L20 PolarHBondContact N-O 2.98Å; C15-L22 HydrophobicContact CB-CD1 4.33Å; C15-L22 HydrophobicContact CB-CD2 4.14Å; C15-L22 HydrophobicContact CB-CG 4.32Å; C15-C36 HydrophobicContact CB-CB 4.23Å; C15-C36 PolarHBondContact SG-N 3.45Å
16	S	95.1	Very high	82.3	Confident	62 Å²	62	90.7 Å²	90.7	43%	0.434	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.6	-179.3	-56.8	0	0	0	0	114	N14 P34	N14-S16 PolarHBondContact O-N 3.47Å; S16-P34 WeakPolarHBondContact CB-O 3.4Å; S16-P34 PolarHBondContact N-O 2.68Å; S16-P34 PolarHBondContact OG-O 3.19Å
17	N	94.6	Very high	84	Confident	74 Å²	74	87.6 Å²	87.6	40%	0.396	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-53.1	176.7	-176.8	52.3	0	0	0	113.9	C15 Y35 C39 K43	C15-N17 PolarHBondContact O-N 3.02Å; C15-N17 PolarHBondContact SG-N 3.12Å; N17-Y35 HydrophobicContact CB-CD1 3.96Å; N17-Y35 HydrophobicContact CB-CE1 4.08Å; N17-C39 HydrophobicContact CB-CB 3.86Å; N17-C39 PolarHBondContact ND2-SG 2.83Å; N17-K43 VanDerWaalsContact CG-NZ 3.34Å; N17-K43 WeakPolarHBondContact OD1-CE 3.43Å; N17-K43 PolarHBondContact OD1-NZ 3.2Å
18	C	95.7	Very high	85.8	Confident	65 Å²	65	86.9 Å²	86.9	44%	0.439	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-1.5	-174.1	67.7	0	0	0	0	114	L20	C18-L20 PolarHBondContact O-N 3.29Å; C18-L20 VanDerWaalsContact O-N 3.12Å; C18-L20 VanDerWaalsContact SG-CB 3.52Å
19	N	93.9	Very high	87.4	Confident	109 Å²	109	86.4 Å²	86.4	58%	0.583	48%	0.479	S	S	*	.			trans	59.8	14.9	-177.9	-156.1	37.1	0	0	0	115.5	N14 C15	N14-N19 VanDerWaalsContact CB-OD1 3.32Å; N14-N19 WeakPolarHBondContact CB-OD1 3.17Å; N14-N19 PolarHBondContact ND2-OD1 2.78Å; C15-N19 WeakPolarHBondContact O-CA 3.44Å; C15-N19 PolarHBondContact O-N 2.86Å
20	L	93.4	Very high	89	Confident	99 Å²	99	82.9 Å²	82.9	52%	0.518	44%	0.444	S	S	.	.			trans	-63.2	133.8	171.8	-178.4	69.4	0	0	0	110.3	N14 C15 C18 L22	N14-L20 CarbonylContact C-O 3.57Å; N14-L20 WeakPolarHBondContact CA-O 3.33Å; C15-L20 HydrophobicContact CB-CB 4.42Å; C15-L20 PolarHBondContact N-O 2.98Å; C18-L20 PolarHBondContact O-N 3.29Å; C18-L20 VanDerWaalsContact O-N 3.12Å; C18-L20 VanDerWaalsContact SG-CB 3.52Å; L20-L22 PolarHBondContact O-N 3.37Å
21	S	93.5	Very high	90.7	Very high	55 Å²	55	81.4 Å²	81.4	39%	0.385	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-58.7	129.1	172.4	177.5	0	0	0	0	110.9	N14 I23	N14-S21 WeakPolarHBondContact OD1-CA 3.43Å; S21-I23 PolarHBondContact OG-N 2.82Å
22	L	93.5	Very high	91.9	Very high	2 Å²	2	84.8 Å²	84.8	1%	0.01	45%	0.452	C	S	.	.			trans	-98.1	2.6	-179.8	-62.7	174.5	0	0	0	112.7	F13 C15 L20 G24 Q25 Y27 P34 C36	F13-L22 HydrophobicContact CD1-CB 3.67Å; F13-L22 HydrophobicContact CD1-CD1 4.37Å; F13-L22 HydrophobicContact CE1-CB 3.9Å; F13-L22 HydrophobicContact CE1-CD1 4.12Å; F13-L22 WeakPolarHBondContact O-CB 3.32Å; F13-L22 PolarHBondContact O-N 2.93Å; C15-L22 HydrophobicContact CB-CD1 4.33Å; C15-L22 HydrophobicContact CB-CD2 4.14Å; C15-L22 HydrophobicContact CB-CG 4.32Å; L20-L22 PolarHBondContact O-N 3.37Å; L22-G24 PolarHBondContact O-N 2.95Å; L22-Q25 PolarHBondContact O-N 3.04Å; L22-Y27 HydrophobicContact CD1-CG 4.36Å; L22-P34 HydrophobicContact CD1-CB 3.66Å; L22-P34 HydrophobicContact CD1-CG 4.31Å; L22-C36 HydrophobicContact CD2-CB 3.62Å
23	I	91.3	Very high	92.5	Very high	117 Å²	117	82.5 Å²	82.5	60%	0.6	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	119.9	178	-59.1	174.6	0	0	0	108.9	S21 Q25	S21-I23 PolarHBondContact OG-N 2.82Å; I23-Q25 PolarHBondContact O-N 3.37Å
24	G	89.7	Confident	92.6	Very high	81 Å²	81	81.6 Å²	81.6	84%	0.835	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	6.3	-176.4	0	0	0	0	0	115	L22	L22-G24 PolarHBondContact O-N 2.95Å
25	Q	89.8	Confident	92.6	Very high	120 Å²	120	81.2 Å²	81.2	56%	0.561	43%	0.434	S	S	*	.	S	Bend	trans	-106.6	152.8	178	-60.2	-59.9	-43.6	0	0	110.9	L22 I23 Y27	L22-Q25 PolarHBondContact O-N 3.04Å; I23-Q25 PolarHBondContact O-N 3.37Å; Q25-Y27 PolarHBondContact O-N 2.96Å
26	K	90.8	Very high	92.6	Very high	180 Å²	180	81.8 Å²	81.8	78%	0.783	44%	0.438	S	S	*	.			trans	-67.4	133.3	169	-69	-176	178.9	-178.6	0	109.6	V37	K26-V37 HydrophobicContact CB-CG2 3.86Å
27	Y	91.2	Very high	92.5	Very high	83 Å²	83	80.8 Å²	80.8	33%	0.325	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.7	176.4	69	-87.6	0	0	0	110.7	F13 L22 Q25 L29 P34 Y35	F13-Y27 AromaticContact CE1-CD1 3.83Å; F13-Y27 HydrophobicContact CE1-CD1 3.83Å; F13-Y27 HydrophobicContact CE1-CD2 4.06Å; F13-Y27 AromaticContact CE1-CE1 3.72Å; F13-Y27 HydrophobicContact CE1-CE1 3.72Å; F13-Y27 AromaticContact CE1-CE2 3.96Å; F13-Y27 HydrophobicContact CE1-CE2 3.96Å; F13-Y27 HydrophobicContact CE1-CG 4Å; F13-Y27 AromaticContact CE1-CZ 3.78Å; F13-Y27 HydrophobicContact CZ-CD1 4.48Å; F13-Y27 AromaticContact CZ-CD2 3.97Å; F13-Y27 HydrophobicContact CZ-CD2 3.97Å; F13-Y27 HydrophobicContact CZ-CE1 4.19Å; F13-Y27 AromaticContact CZ-CE2 3.63Å; F13-Y27 HydrophobicContact CZ-CE2 3.63Å; F13-Y27 HydrophobicContact CZ-CG 4.38Å; F13-Y27 AromaticContact CZ-CZ 3.75Å; L22-Y27 HydrophobicContact CD1-CG 4.36Å; Q25-Y27 PolarHBondContact O-N 2.96Å; Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.34Å; Y27-L29 HydrophobicContact CE2-CD1 4.5Å; Y27-L29 HydrophobicContact CE2-CD2 3.99Å; Y27-L29 HydrophobicContact CE2-CG 3.98Å; Y27-P34 HydrophobicContact CD2-CB 4.18Å; Y27-Y35 CarbonylContact C-O 3.54Å; Y27-Y35 VanDerWaalsContact CA-O 3.26Å; Y27-Y35 WeakPolarHBondContact CA-O 2.95Å; Y27-Y35 WeakPolarHBondContact CB-O 3.31Å
28	I	91.2	Very high	92.4	Very high	36 Å²	36	80.5 Å²	80.5	19%	0.185	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.1	177	-57.3	168.9	0	0	0	107.8	Y35 Y40 C57	I28-Y35 PolarHBondContact N-O 2.88Å; I28-Y35 PolarHBondContact O-N 3.41Å; I28-Y40 HydrophobicContact CB-CD1 4.32Å; I28-Y40 HydrophobicContact CB-CD2 3.72Å; I28-Y40 HydrophobicContact CB-CE2 4.14Å; I28-Y40 HydrophobicContact CB-CG 3.82Å; I28-Y40 HydrophobicContact CD1-CD1 3.39Å; I28-Y40 HydrophobicContact CD1-CD2 4.37Å; I28-Y40 HydrophobicContact CD1-CE1 3.89Å; I28-Y40 HydrophobicContact CD1-CG 3.67Å; I28-Y40 HydrophobicContact CG1-CD1 4.44Å; I28-Y40 HydrophobicContact CG1-CG 4.32Å; I28-Y40 HydrophobicContact CG2-CD1 4.2Å; I28-Y40 HydrophobicContact CG2-CD2 3.48Å; I28-Y40 VanDerWaalsContact CG2-CD2 3.48Å; I28-Y40 HydrophobicContact CG2-CE1 4.1Å; I28-Y40 HydrophobicContact CG2-CE2 3.35Å; I28-Y40 HydrophobicContact CG2-CG 3.91Å; I28-C57 HydrophobicContact CD1-CB 3.37Å
29	L	91.5	Very high	92.3	Very high	97 Å²	97	78 Å²	78	51%	0.508	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.5	173.7	-63.8	174.6	0	0	0	109.3	Y27 K33 P34	Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.34Å; Y27-L29 HydrophobicContact CE2-CD1 4.5Å; Y27-L29 HydrophobicContact CE2-CD2 3.99Å; Y27-L29 HydrophobicContact CE2-CG 3.98Å; L29-K33 WeakPolarHBondContact CA-O 3.33Å; L29-P34 HydrophobicContact CD2-CB 3.81Å
30	N	90.5	Very high	92.2	Very high	37 Å²	37	75.4 Å²	75.4	20%	0.198	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123	167.9	-173.4	82.4	0	0	0	108.6	E32 K33 Y35 Y40 F44	N30-E32 VanDerWaalsContact C-N 3.28Å; N30-E32 PolarHBondContact O-N 2.99Å; N30-K33 PolarHBondContact N-O 3.41Å; N30-K33 WeakPolarHBondContact O-CB 3.44Å; N30-K33 PolarHBondContact O-N 3.28Å; N30-Y35 HydrophobicContact CB-CD2 4.05Å; N30-Y35 HydrophobicContact CB-CE2 3.83Å; N30-Y40 HydrophobicContact CB-CD2 4.31Å; N30-Y40 HydrophobicContact CB-CE2 3.97Å; N30-F44 HydrophobicContact CB-CD2 4.4Å; N30-F44 HydrophobicContact CB-CE2 4.2Å; N30-F44 HydrophobicContact CB-CZ 4.47Å
31	D	91.3	Very high	92.1	Very high	135 Å²	135	72.9 Å²	72.9	72%	0.722	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	50.5	-172.7	-56.2	-40.9	0	0	0	112.1	K33	D31-K33 PolarHBondContact O-N 3.19Å
32	E	90.5	Very high	92	Very high	187 Å²	187	74.1 Å²	74.1	87%	0.874	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	1.8	-178.7	-54.7	178.2	169	0	0	115.4	N30	N30-E32 VanDerWaalsContact C-N 3.28Å; N30-E32 PolarHBondContact O-N 2.99Å
33	K	93.8	Very high	91.9	Very high	121 Å²	121	79.1 Å²	79.1	53%	0.526	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.1	179.1	-68.8	175	-174.9	173.7	0	111.2	L29 N30 D31 Y35	L29-K33 WeakPolarHBondContact CA-O 3.33Å; N30-K33 PolarHBondContact N-O 3.41Å; N30-K33 WeakPolarHBondContact O-CB 3.44Å; N30-K33 PolarHBondContact O-N 3.28Å; D31-K33 PolarHBondContact O-N 3.19Å; K33-Y35 HydrophobicContact CB-CE2 3.77Å; K33-Y35 WeakPolarHBondContact O-CD2 3.17Å; K33-Y35 VanDerWaalsContact O-CE2 3.31Å; K33-Y35 WeakPolarHBondContact O-CE2 3.38Å
34	P	94.2	Very high	91.9	Very high	21 Å²	21	76.6 Å²	76.6	14%	0.136	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136	179.3	33	-36.3	0	0	0	112.2	F13 S16 L22 Y27 L29	F13-P34 HydrophobicContact CD2-CG 4.37Å; F13-P34 HydrophobicContact CE1-CB 4.26Å; F13-P34 HydrophobicContact CE2-CB 3.93Å; F13-P34 HydrophobicContact CE2-CG 3.8Å; F13-P34 HydrophobicContact CZ-CB 3.61Å; F13-P34 HydrophobicContact CZ-CG 4.02Å; S16-P34 WeakPolarHBondContact CB-O 3.4Å; S16-P34 PolarHBondContact N-O 2.68Å; S16-P34 PolarHBondContact OG-O 3.19Å; L22-P34 HydrophobicContact CD1-CB 3.66Å; L22-P34 HydrophobicContact CD1-CG 4.31Å; Y27-P34 HydrophobicContact CD2-CB 4.18Å; L29-P34 HydrophobicContact CD2-CB 3.81Å
35	Y	94.8	Very high	92	Very high	22 Å²	22	73.9 Å²	73.9	9%	0.086	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.7	174.4	-64.2	-93.3	0	0	0	109.8	N17 Y27 I28 N30 K33 C39 K43 F44	N17-Y35 HydrophobicContact CB-CD1 3.96Å; N17-Y35 HydrophobicContact CB-CE1 4.08Å; Y27-Y35 CarbonylContact C-O 3.54Å; Y27-Y35 VanDerWaalsContact CA-O 3.26Å; Y27-Y35 WeakPolarHBondContact CA-O 2.95Å; Y27-Y35 WeakPolarHBondContact CB-O 3.31Å; I28-Y35 PolarHBondContact N-O 2.88Å; I28-Y35 PolarHBondContact O-N 3.41Å; N30-Y35 HydrophobicContact CB-CD2 4.05Å; N30-Y35 HydrophobicContact CB-CE2 3.83Å; K33-Y35 HydrophobicContact CB-CE2 3.77Å; K33-Y35 WeakPolarHBondContact O-CD2 3.17Å; K33-Y35 VanDerWaalsContact O-CE2 3.31Å; K33-Y35 WeakPolarHBondContact O-CE2 3.38Å; Y35-C39 HydrophobicContact CD1-CB 4.42Å; Y35-K43 HydrophobicContact CE1-CD 4.45Å; Y35-F44 HydrophobicContact CD1-CE2 4.01Å; Y35-F44 HydrophobicContact CD2-CE2 4.01Å; Y35-F44 AromaticContact CE1-CE2 3.79Å; Y35-F44 HydrophobicContact CE1-CE2 3.79Å; Y35-F44 HydrophobicContact CE1-CZ 4.09Å; Y35-F44 AromaticContact CE2-CE2 3.81Å; Y35-F44 HydrophobicContact CE2-CE2 3.81Å; Y35-F44 HydrophobicContact CE2-CZ 4.12Å; Y35-F44 HydrophobicContact CG-CE2 4.11Å; Y35-F44 AromaticContact CZ-CE2 3.69Å; Y35-F44 AromaticContact CZ-CZ 3.74Å
36	C	94.3	Very high	92.3	Very high	15 Å²	15	72.2 Å²	72.2	10%	0.101	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	152.5	165.1	70.7	0	0	0	0	109.5	C15 L22 A38 C39 Y40	C15-C36 HydrophobicContact CB-CB 4.23Å; C15-C36 PolarHBondContact SG-N 3.45Å; L22-C36 HydrophobicContact CD2-CB 3.62Å; C36-A38 VanDerWaalsContact C-N 3.28Å; C36-A38 PolarHBondContact O-N 2.98Å; C36-C39 PolarHBondContact O-N 3.2Å; C36-C39 VanDerWaalsContact SG-CB 3.57Å; C36-C39 PolarHBondContact SG-N 3.29Å; C36-C39 PolarHBondContact SG-SG 3.5Å; C36-Y40 PolarHBondContact O-N 2.89Å
37	V	92.3	Very high	92.5	Very high	40 Å²	40	66.5 Å²	66.5	24%	0.242	35%	0.35	C	S	.	.	H	α-helix	trans	-48.3	-49.3	-178.4	173.1	0	0	0	0	111.9	K26 C39 Y40 E41	K26-V37 HydrophobicContact CB-CG2 3.86Å; V37-C39 PolarHBondContact O-N 3.49Å; V37-Y40 PolarHBondContact O-N 3.18Å; V37-E41 HydrophobicContact CG1-CG 4.19Å; V37-E41 WeakPolarHBondContact O-CB 3.26Å; V37-E41 WeakPolarHBondContact O-CG 3.45Å; V37-E41 PolarHBondContact O-N 3.07Å
38	A	92.4	Very high	92.7	Very high	68 Å²	68	62.6 Å²	62.6	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-61.4	-38.5	179.7	0	0	0	0	0	113.8	C36 S42	C36-A38 VanDerWaalsContact C-N 3.28Å; C36-A38 PolarHBondContact O-N 2.98Å; A38-S42 WeakPolarHBondContact O-CB 3.15Å; A38-S42 PolarHBondContact O-N 2.92Å
39	C	94.1	Very high	92.9	Very high	12 Å²	12	63.3 Å²	63.3	8%	0.081	34%	0.337	C	S	.	.	H	α-helix	trans	-73.5	-37.4	177	-75.4	0	0	0	0	112	N17 Y35 C36 V37 S42 K43	N17-C39 HydrophobicContact CB-CB 3.86Å; N17-C39 PolarHBondContact ND2-SG 2.83Å; Y35-C39 HydrophobicContact CD1-CB 4.42Å; C36-C39 PolarHBondContact O-N 3.2Å; C36-C39 VanDerWaalsContact SG-CB 3.57Å; C36-C39 PolarHBondContact SG-N 3.29Å; C36-C39 PolarHBondContact SG-SG 3.5Å; V37-C39 PolarHBondContact O-N 3.49Å; C39-S42 PolarHBondContact O-N 2.94Å; C39-K43 WeakPolarHBondContact O-CB 3.34Å; C39-K43 PolarHBondContact O-N 3.33Å; C39-K43 VanDerWaalsContact O-N 3.07Å
40	Y	92.5	Very high	93.1	Very high	56 Å²	56	62.7 Å²	62.7	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-52.8	175.8	-179	-88.6	0	0	0	110.5	I28 N30 C36 V37 S42 K43 F44	I28-Y40 HydrophobicContact CB-CD1 4.32Å; I28-Y40 HydrophobicContact CB-CD2 3.72Å; I28-Y40 HydrophobicContact CB-CE2 4.14Å; I28-Y40 HydrophobicContact CB-CG 3.82Å; I28-Y40 HydrophobicContact CD1-CD1 3.39Å; I28-Y40 HydrophobicContact CD1-CD2 4.37Å; I28-Y40 HydrophobicContact CD1-CE1 3.89Å; I28-Y40 HydrophobicContact CD1-CG 3.67Å; I28-Y40 HydrophobicContact CG1-CD1 4.44Å; I28-Y40 HydrophobicContact CG1-CG 4.32Å; I28-Y40 HydrophobicContact CG2-CD1 4.2Å; I28-Y40 HydrophobicContact CG2-CD2 3.48Å; I28-Y40 VanDerWaalsContact CG2-CD2 3.48Å; I28-Y40 HydrophobicContact CG2-CE1 4.1Å; I28-Y40 HydrophobicContact CG2-CE2 3.35Å; I28-Y40 HydrophobicContact CG2-CG 3.91Å; N30-Y40 HydrophobicContact CB-CD2 4.31Å; N30-Y40 HydrophobicContact CB-CE2 3.97Å; C36-Y40 PolarHBondContact O-N 2.89Å; V37-Y40 PolarHBondContact O-N 3.18Å; Y40-S42 VanDerWaalsContact C-N 3.27Å; Y40-S42 PolarHBondContact O-N 2.8Å; Y40-K43 PolarHBondContact O-N 3.46Å; Y40-F44 HydrophobicContact CD2-CB 4.4Å; Y40-F44 AromaticContact CD2-CD2 3.6Å; Y40-F44 HydrophobicContact CD2-CD2 3.6Å; Y40-F44 HydrophobicContact CD2-CE2 4.35Å; Y40-F44 HydrophobicContact CD2-CG 4.4Å; Y40-F44 HydrophobicContact CE1-CB 4.47Å; Y40-F44 HydrophobicContact CE2-CB 4.15Å; Y40-F44 AromaticContact CE2-CD2 3.97Å; Y40-F44 HydrophobicContact CE2-CD2 3.97Å; Y40-F44 HydrophobicContact CE2-CG 4.37Å; Y40-F44 HydrophobicContact CG-CD2 4.14Å; Y40-F44 PolarHBondContact O-N 3.34Å
41	E	91.5	Very high	93.3	Very high	46 Å²	46	63 Å²	63	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-35.6	176.5	-68.8	-180	154.5	0	0	111.9	V37 K43 S45 K54 T56 C57	V37-E41 HydrophobicContact CG1-CG 4.19Å; V37-E41 WeakPolarHBondContact O-CB 3.26Å; V37-E41 WeakPolarHBondContact O-CG 3.45Å; V37-E41 PolarHBondContact O-N 3.07Å; E41-K43 PolarHBondContact O-N 2.84Å; E41-S45 WeakPolarHBondContact O-CB 3.43Å; E41-S45 PolarHBondContact O-OG 3.48Å; E41-K54 PolarHBondContact O-NZ 2.99Å; E41-T56 WeakPolarHBondContact OE1-CA 3.08Å; E41-T56 VanDerWaalsContact OE1-CB 3.29Å; E41-T56 WeakPolarHBondContact OE1-CB 3.34Å; E41-C57 PolarHBondContact OE1-N 3.49Å; E41-C57 VanDerWaalsContact OE1-N 3.16Å; E41-C57 PolarHBondContact OE1-SG 3.16Å
42	S	91.1	Very high	93.5	Very high	80 Å²	80	62.6 Å²	62.6	56%	0.559	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-43.3	176.1	-172.5	0	0	0	0	112.4	A38 C39 Y40 K54	A38-S42 WeakPolarHBondContact O-CB 3.15Å; A38-S42 PolarHBondContact O-N 2.92Å; C39-S42 PolarHBondContact O-N 2.94Å; Y40-S42 VanDerWaalsContact C-N 3.27Å; Y40-S42 PolarHBondContact O-N 2.8Å; S42-K54 VanDerWaalsContact CA-NZ 3.34Å; S42-K54 PolarHBondContact O-NZ 3.38Å
43	K	91.7	Very high	93.7	Very high	108 Å²	108	59.6 Å²	59.6	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-92	-34.9	-171.8	-74	-169.3	169.1	-174.3	0	115.5	N17 Y35 C39 Y40 E41	N17-K43 VanDerWaalsContact CG-NZ 3.34Å; N17-K43 WeakPolarHBondContact OD1-CE 3.43Å; N17-K43 PolarHBondContact OD1-NZ 3.2Å; Y35-K43 HydrophobicContact CE1-CD 4.45Å; C39-K43 WeakPolarHBondContact O-CB 3.34Å; C39-K43 PolarHBondContact O-N 3.33Å; C39-K43 VanDerWaalsContact O-N 3.07Å; Y40-K43 PolarHBondContact O-N 3.46Å; E41-K43 PolarHBondContact O-N 2.84Å
44	F	91.3	Very high	93.7	Very high	63 Å²	63	58.6 Å²	58.6	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-124.4	-9	-163.6	-51.3	-67	0	0	0	113.7	N30 Y35 Y40 H46	N30-F44 HydrophobicContact CB-CD2 4.4Å; N30-F44 HydrophobicContact CB-CE2 4.2Å; N30-F44 HydrophobicContact CB-CZ 4.47Å; Y35-F44 HydrophobicContact CD1-CE2 4.01Å; Y35-F44 HydrophobicContact CD2-CE2 4.01Å; Y35-F44 AromaticContact CE1-CE2 3.79Å; Y35-F44 HydrophobicContact CE1-CE2 3.79Å; Y35-F44 HydrophobicContact CE1-CZ 4.09Å; Y35-F44 AromaticContact CE2-CE2 3.81Å; Y35-F44 HydrophobicContact CE2-CE2 3.81Å; Y35-F44 HydrophobicContact CE2-CZ 4.12Å; Y35-F44 HydrophobicContact CG-CE2 4.11Å; Y35-F44 AromaticContact CZ-CE2 3.69Å; Y35-F44 AromaticContact CZ-CZ 3.74Å; Y40-F44 HydrophobicContact CD2-CB 4.4Å; Y40-F44 AromaticContact CD2-CD2 3.6Å; Y40-F44 HydrophobicContact CD2-CD2 3.6Å; Y40-F44 HydrophobicContact CD2-CE2 4.35Å; Y40-F44 HydrophobicContact CD2-CG 4.4Å; Y40-F44 HydrophobicContact CE1-CB 4.47Å; Y40-F44 HydrophobicContact CE2-CB 4.15Å; Y40-F44 AromaticContact CE2-CD2 3.97Å; Y40-F44 HydrophobicContact CE2-CD2 3.97Å; Y40-F44 HydrophobicContact CE2-CG 4.37Å; Y40-F44 HydrophobicContact CG-CD2 4.14Å; Y40-F44 PolarHBondContact O-N 3.34Å; F44-H46 PolarHBondContact O-N 2.82Å
45	S	91.8	Very high	93.7	Very high	24 Å²	24	58 Å²	58	17%	0.168	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.7	132.7	176.5	69.3	0	0	0	0	110.9	E41 K54 I55	E41-S45 WeakPolarHBondContact O-CB 3.43Å; E41-S45 PolarHBondContact O-OG 3.48Å; S45-K54 WeakPolarHBondContact OG-CD 3.48Å; S45-K54 WeakPolarHBondContact OG-CE 3.45Å; S45-K54 WeakPolarHBondContact OG-CG 3.2Å; S45-I55 WeakPolarHBondContact CB-O 3.32Å
46	H	94.4	Very high	93.5	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.398	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-72.1	149.5	168.7	-64.4	-75.2	0	0	0	111.3	F44 I55 D61 H68	F44-H46 PolarHBondContact O-N 2.82Å; H46-I55 PolarHBondContact O-N 2.92Å; H46-D61 IonicContact CD2-OD2 3.77Å; H46-D61 PolarHBondContact CD2-OD2 2.84Å; H46-D61 VanDerWaalsContact CD2-OD2 3.3Å; H46-D61 IonicContact CG-OD2 2.95Å; H46-H68 HydrophobicContact CB-CB 3.69Å; H46-H68 VanDerWaalsContact CB-CG 3.42Å; H46-H68 AromaticContact CD2-CE1 3.21Å; H46-H68 PolarHBondContact CD2-CE1 2.73Å; H46-H68 AromaticContact CD2-ND1 3.44Å; H46-H68 PolarHBondContact CD2-ND1 3.37Å; H46-H68 AromaticContact CD2-NE2 3.74Å; H46-H68 AromaticContact CE1-CE1 3.59Å; H46-H68 AromaticContact CE1-NE2 3.4Å; H46-H68 PolarHBondContact CE1-NE2 3.4Å; H46-H68 AromaticContact CG-CD2 3.59Å; H46-H68 AromaticContact CG-CE1 3.38Å; H46-H68 AromaticContact CG-CG 3.56Å; H46-H68 AromaticContact CG-ND1 3.42Å; H46-H68 AromaticContact CG-NE2 3.51Å; H46-H68 AromaticContact ND1-CD2 3.54Å; H46-H68 AromaticContact ND1-CE1 3.62Å; H46-H68 AromaticContact ND1-NE2 3.29Å; H46-H68 PolarHBondContact ND1-NE2 3.37Å; H46-H68 AromaticContact NE2-CE1 3.37Å; H46-H68 PolarHBondContact NE2-CE1 3.29Å; H46-H68 AromaticContact NE2-NE2 3.69Å
47	A	95.1	Very high	93.1	Very high	59 Å²	59	61.4 Å²	61.4	49%	0.488	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-89.4	132.7	171.5	0	0	0	0	0	109.5	E49	A47-E49 PolarHBondContact O-N 3.3Å
48	C	96	Very high	92.8	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.007	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-64.2	127.8	176.5	174.7	0	0	0	0	110.5	L50 C51 K52 E53 I55 H68 H70 C73	C48-L50 PolarHBondContact O-N 3.21Å; C48-C51 VanDerWaalsContact CB-SG 3.54Å; C48-K52 WeakPolarHBondContact O-CA 3.36Å; C48-K52 PolarHBondContact O-N 2.51Å; C48-E53 WeakPolarHBondContact CB-O 3.27Å; C48-E53 PolarHBondContact N-O 3.1Å; C48-I55 HydrophobicContact CB-CD1 4.4Å; C48-I55 HydrophobicContact CB-CG1 4.14Å; C48-H68 CarbonylContact C-O 3.53Å; C48-H68 WeakPolarHBondContact CA-O 3.43Å; C48-H70 WeakPolarHBondContact CB-CE1 3.09Å; C48-H70 VanDerWaalsContact CB-ND1 3.27Å; C48-H70 WeakPolarHBondContact CB-ND1 3.38Å; C48-H70 PolarHBondContact SG-ND1 3.44Å; C48-H70 VanDerWaalsContact SG-ND1 3.37Å; C48-C73 VanDerWaalsContact SG-CB 3.52Å
49	E	95.6	Very high	92.6	Very high	51 Å²	51	65.1 Å²	65.1	24%	0.238	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30	-178.3	-179.4	65.6	-133	0	0	111.6	A47 K52 K67 H68 W69	A47-E49 PolarHBondContact O-N 3.3Å; E49-K52 WeakPolarHBondContact O-CE 3.27Å; E49-K52 PolarHBondContact O-NZ 3.16Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.37Å; E49-K67 HydrophobicContact CG-CD 4.04Å; E49-K67 IonicContact OE1-NZ 4Å; E49-K67 WeakPolarHBondContact OE2-CD 3.47Å; E49-K67 IonicContact OE2-NZ 2.78Å; E49-H68 WeakPolarHBondContact CB-O 3.29Å; E49-H68 PolarHBondContact N-O 3.37Å; E49-W69 HydrophobicContact CB-CD2 4.14Å; E49-W69 HydrophobicContact CB-CG 4.47Å; E49-W69 HydrophobicContact CB-CZ2 3.85Å; E49-W69 HydrophobicContact CG-CZ2 3.83Å
50	L	94.8	Very high	92.4	Very high	85 Å²	85	68.7 Å²	68.7	45%	0.445	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-58.9	179.9	-173.8	68.8	0	0	0	112.6	C48 C73 F75	C48-L50 PolarHBondContact O-N 3.21Å; L50-C73 HydrophobicContact CB-CB 4.01Å; L50-C73 HydrophobicContact CD2-CB 3.81Å; L50-C73 WeakPolarHBondContact CD2-O 3.18Å; L50-F75 HydrophobicContact CD2-CE1 3.64Å; L50-F75 HydrophobicContact CD2-CE2 4.26Å; L50-F75 HydrophobicContact CD2-CZ 3.41Å; L50-F75 VanDerWaalsContact CD2-CZ 3.41Å
51	C	95.4	Very high	92.5	Very high	42 Å²	42	68.9 Å²	68.9	28%	0.284	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.4	-172.2	71.2	0	0	0	0	113.9	C48 E53 H70	C48-C51 VanDerWaalsContact CB-SG 3.54Å; C51-E53 PolarHBondContact O-N 2.85Å; C51-H70 PolarHBondContact SG-CE1 3.18Å; C51-H70 PolarHBondContact SG-ND1 3.1Å
52	K	95.6	Very high	92.7	Very high	127 Å²	127	67.6 Å²	67.6	55%	0.552	36%	0.359	S	S	*	.			trans	64.9	-3.3	-178.4	-49.5	-52.3	-172.9	-174.2	0	115.5	C48 E49	C48-K52 WeakPolarHBondContact O-CA 3.36Å; C48-K52 PolarHBondContact O-N 2.51Å; E49-K52 WeakPolarHBondContact O-CE 3.27Å; E49-K52 PolarHBondContact O-NZ 3.16Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.37Å
53	E	95.3	Very high	92.9	Very high	125 Å²	125	67.6 Å²	67.6	58%	0.584	36%	0.358	S	S	*	.			trans	-74.6	152.6	172.7	-61.1	-56.8	147.5	0	0	112.3	C48 C51 H70	C48-E53 WeakPolarHBondContact CB-O 3.27Å; C48-E53 PolarHBondContact N-O 3.1Å; C51-E53 PolarHBondContact O-N 2.85Å; E53-H70 PolarHBondContact O-CE1 2.93Å
54	K	94	Very high	92.9	Very high	100 Å²	100	65.9 Å²	65.9	44%	0.435	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-64.2	142.8	177.5	-70.7	-178.8	158.9	-152.5	0	111.9	E41 S42 S45 H70	E41-K54 PolarHBondContact O-NZ 2.99Å; S42-K54 VanDerWaalsContact CA-NZ 3.34Å; S42-K54 PolarHBondContact O-NZ 3.38Å; S45-K54 WeakPolarHBondContact OG-CD 3.48Å; S45-K54 WeakPolarHBondContact OG-CE 3.45Å; S45-K54 WeakPolarHBondContact OG-CG 3.2Å; K54-H70 PolarHBondContact O-NE2 2.82Å
55	I	94.7	Very high	93	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.036	37%	0.371	C	S	.	.			trans	-89.9	112.7	171.3	-54.5	171.1	0	0	0	107.3	S45 H46 C48 D61 H68	S45-I55 WeakPolarHBondContact CB-O 3.32Å; H46-I55 PolarHBondContact O-N 2.92Å; C48-I55 HydrophobicContact CB-CD1 4.4Å; C48-I55 HydrophobicContact CB-CG1 4.14Å; I55-D61 WeakPolarHBondContact CD1-OD1 3.49Å; I55-D61 HydrophobicContact CG2-CB 3.95Å; I55-H68 HydrophobicContact CD1-CB 3.66Å
56	T	90.3	Very high	93	Very high	50 Å²	50	76.9 Å²	76.9	31%	0.307	40%	0.403	S	S	.	.			trans	-71.4	157.7	-178.6	51.3	0	0	0	0	110.9	E41 D58 S59	E41-T56 WeakPolarHBondContact OE1-CA 3.08Å; E41-T56 VanDerWaalsContact OE1-CB 3.29Å; E41-T56 WeakPolarHBondContact OE1-CB 3.34Å; T56-D58 WeakPolarHBondContact CB-OD1 3.45Å; T56-D58 PolarHBondContact O-N 3.33Å; T56-D58 PolarHBondContact OG1-OD1 2.99Å; T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 VanDerWaalsContact O-N 3.1Å; T56-S59 PolarHBondContact OG1-OG 3.15Å; T56-S59 VanDerWaalsContact OG1-OG 3.08Å
57	C	84.8	Confident	93	Very high	60 Å²	60	75.5 Å²	75.5	41%	0.405	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.1	-175.2	63.3	0	0	0	0	114.2	I28 E41	I28-C57 HydrophobicContact CD1-CB 3.37Å; E41-C57 PolarHBondContact OE1-N 3.49Å; E41-C57 VanDerWaalsContact OE1-N 3.16Å; E41-C57 PolarHBondContact OE1-SG 3.16Å
58	D	86.1	Confident	93.1	Very high	134 Å²	134	74 Å²	74	72%	0.717	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.6	176.5	66.3	-19.7	0	0	0	113.3	T56	T56-D58 WeakPolarHBondContact CB-OD1 3.45Å; T56-D58 PolarHBondContact O-N 3.33Å; T56-D58 PolarHBondContact OG1-OD1 2.99Å
59	S	88.4	Confident	93.1	Very high	52 Å²	52	74.3 Å²	74.3	36%	0.364	38%	0.38	S	S	.	.	S	Bend	trans	-100.5	148.5	178.9	-66.8	0	0	0	0	111.7	T56 D61	T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 VanDerWaalsContact O-N 3.1Å; T56-S59 PolarHBondContact OG1-OG 3.15Å; T56-S59 VanDerWaalsContact OG1-OG 3.08Å; S59-D61 PolarHBondContact O-N 3.24Å; S59-D61 VanDerWaalsContact O-N 3.16Å
60	K	90.9	Very high	93.2	Very high	86 Å²	86	72.6 Å²	72.6	37%	0.374	37%	0.372	S	S	.	.			trans	-65.6	114.3	170.1	-167.9	-179.2	-175.2	-172.9	0	108.9	L62 E71 D85	K60-L62 HydrophobicContact CD-CD2 3.9Å; K60-L62 HydrophobicContact CD-CG 4.49Å; K60-L62 HydrophobicContact CG-CD2 4.01Å; K60-L62 HydrophobicContact CG-CG 4.38Å; K60-L62 PolarHBondContact O-N 3.03Å; K60-E71 HydrophobicContact CB-CB 4.4Å; K60-E71 IonicContact NZ-OE1 3.1Å; K60-D85 IonicContact NZ-OD1 3.97Å; K60-D85 PolarHBondContact NZ-OD1 2.83Å
61	D	93.5	Very high	93.2	Very high	60 Å²	60	72.7 Å²	72.7	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.1	173.1	-173.1	-8.7	0	0	0	109.4	H46 I55 S59 H68	H46-D61 IonicContact CD2-OD2 3.77Å; H46-D61 PolarHBondContact CD2-OD2 2.84Å; H46-D61 VanDerWaalsContact CD2-OD2 3.3Å; H46-D61 IonicContact CG-OD2 2.95Å; I55-D61 WeakPolarHBondContact CD1-OD1 3.49Å; I55-D61 HydrophobicContact CG2-CB 3.95Å; S59-D61 PolarHBondContact O-N 3.24Å; S59-D61 VanDerWaalsContact O-N 3.16Å; D61-H68 VanDerWaalsContact CG-ND1 3.32Å; D61-H68 WeakPolarHBondContact OD1-CB 3.33Å; D61-H68 IonicContact OD1-CE1 3.3Å; D61-H68 IonicContact OD1-CG 3.8Å; D61-H68 IonicContact OD1-ND1 3.93Å; D61-H68 PolarHBondContact OD1-ND1 3.25Å; D61-H68 IonicContact OD2-CE1 3.76Å; D61-H68 IonicContact OD2-ND1 3.9Å; D61-H68 PolarHBondContact OD2-ND1 3.45Å; D61-H68 VanDerWaalsContact OD2-ND1 3.1Å
62	L	96.1	Very high	93.2	Very high	20 Å²	20	79.3 Å²	79.3	11%	0.105	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.7	176.7	-65	176.5	0	0	0	109	K60 H68 W69 E71 F74 A84	K60-L62 HydrophobicContact CD-CD2 3.9Å; K60-L62 HydrophobicContact CD-CG 4.49Å; K60-L62 HydrophobicContact CG-CD2 4.01Å; K60-L62 HydrophobicContact CG-CG 4.38Å; K60-L62 PolarHBondContact O-N 3.03Å; L62-H68 CarbonylContact O-C 3.52Å; L62-H68 WeakPolarHBondContact O-CA 3.27Å; L62-W69 PolarHBondContact N-O 3.33Å; L62-W69 VanDerWaalsContact N-O 3.15Å; L62-W69 PolarHBondContact O-N 2.81Å; L62-E71 HydrophobicContact CD1-CB 4.3Å; L62-E71 HydrophobicContact CD1-CG 4.44Å; L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CG 4.36Å; L62-F74 HydrophobicContact CD1-CB 3.48Å; L62-F74 VanDerWaalsContact CD1-CB 3.48Å; L62-F74 HydrophobicContact CD1-CD1 3.72Å; L62-F74 HydrophobicContact CD1-CD2 4.39Å; L62-F74 HydrophobicContact CD1-CG 3.61Å; L62-A84 HydrophobicContact CD1-CB 3.65Å
63	S	94.3	Very high	93.3	Very high	79 Å²	79	73.6 Å²	73.6	55%	0.552	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.3	-179.3	57.6	0	0	0	0	112.4	K67	S63-K67 VanDerWaalsContact CA-O 3.27Å; S63-K67 WeakPolarHBondContact CA-O 3.35Å
64	F	93.4	Very high	93.4	Very high	73 Å²	73	68 Å²	68	32%	0.32	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	116.4	169.7	177	-109	0	0	0	108.9	K67 W69 F88 T90	F64-K67 PolarHBondContact N-O 2.72Å; F64-K67 PolarHBondContact O-N 3.26Å; F64-W69 HydrophobicContact CB-CZ3 4.04Å; F64-F88 HydrophobicContact CB-CE2 4.3Å; F64-F88 HydrophobicContact CB-CZ 3.88Å; F64-F88 AromaticContact CD1-CE2 3.95Å; F64-F88 HydrophobicContact CD1-CE2 3.95Å; F64-F88 HydrophobicContact CD1-CZ 4.2Å; F64-F88 HydrophobicContact CD2-CE2 4.2Å; F64-F88 AromaticContact CD2-CZ 3.68Å; F64-F88 HydrophobicContact CD2-CZ 3.68Å; F64-F88 HydrophobicContact CE1-CE2 4.29Å; F64-F88 HydrophobicContact CE2-CZ 4.23Å; F64-F88 AromaticContact CG-CE2 3.89Å; F64-F88 HydrophobicContact CG-CE2 3.89Å; F64-F88 AromaticContact CG-CZ 3.65Å; F64-F88 HydrophobicContact CG-CZ 3.65Å; F64-T90 HydrophobicContact CD1-CG2 3.87Å; F64-T90 HydrophobicContact CE1-CG2 3.72Å
65	K	91.4	Very high	93.5	Very high	161 Å²	161	65.7 Å²	65.7	70%	0.7	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-137	-164.5	-53.7	176.2	176.8	177.5	0	109	K67	K65-K67 VanDerWaalsContact C-N 3.25Å; K65-K67 PolarHBondContact O-N 2.85Å
66	D	91.7	Very high	93.7	Very high	156 Å²	156	65.3 Å²	65.3	83%	0.834	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	20.6	-178	-50.8	-56.2	0	0	0	113.8
67	K	95.7	Very high	94.1	Very high	57 Å²	57	65 Å²	65	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.2	-176.7	-66.6	-176.2	170.9	-157.5	0	110.8	E49 S63 F64 K65 W69 N93	E49-K67 HydrophobicContact CG-CD 4.04Å; E49-K67 IonicContact OE1-NZ 4Å; E49-K67 WeakPolarHBondContact OE2-CD 3.47Å; E49-K67 IonicContact OE2-NZ 2.78Å; S63-K67 VanDerWaalsContact CA-O 3.27Å; S63-K67 WeakPolarHBondContact CA-O 3.35Å; F64-K67 PolarHBondContact N-O 2.72Å; F64-K67 PolarHBondContact O-N 3.26Å; K65-K67 VanDerWaalsContact C-N 3.25Å; K65-K67 PolarHBondContact O-N 2.85Å; K67-W69 VanDerWaalsContact C-CZ3 3.45Å; K67-W69 HydrophobicContact CB-CE3 4.36Å; K67-W69 HydrophobicContact CB-CH2 3.27Å; K67-W69 HydrophobicContact CB-CZ2 4.05Å; K67-W69 HydrophobicContact CB-CZ3 3.46Å; K67-W69 VanDerWaalsContact CB-CZ3 3.46Å; K67-W69 HydrophobicContact CD-CH2 3.94Å; K67-W69 HydrophobicContact CD-CZ2 4.26Å; K67-W69 HydrophobicContact CG-CH2 4.27Å; K67-W69 VanDerWaalsContact O-CZ3 3.27Å; K67-W69 WeakPolarHBondContact O-CZ3 3.35Å; K67-N93 PolarHBondContact NZ-OD1 3.4Å
68	H	96.3	Very high	94.7	Very high	27 Å²	27	65.9 Å²	65.9	13%	0.125	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	-171.4	-66.9	-102.5	0	0	0	110.6	H46 C48 E49 I55 D61 L62	H46-H68 HydrophobicContact CB-CB 3.69Å; H46-H68 VanDerWaalsContact CB-CG 3.42Å; H46-H68 AromaticContact CD2-CE1 3.21Å; H46-H68 PolarHBondContact CD2-CE1 2.73Å; H46-H68 AromaticContact CD2-ND1 3.44Å; H46-H68 PolarHBondContact CD2-ND1 3.37Å; H46-H68 AromaticContact CD2-NE2 3.74Å; H46-H68 AromaticContact CE1-CE1 3.59Å; H46-H68 AromaticContact CE1-NE2 3.4Å; H46-H68 PolarHBondContact CE1-NE2 3.4Å; H46-H68 AromaticContact CG-CD2 3.59Å; H46-H68 AromaticContact CG-CE1 3.38Å; H46-H68 AromaticContact CG-CG 3.56Å; H46-H68 AromaticContact CG-ND1 3.42Å; H46-H68 AromaticContact CG-NE2 3.51Å; H46-H68 AromaticContact ND1-CD2 3.54Å; H46-H68 AromaticContact ND1-CE1 3.62Å; H46-H68 AromaticContact ND1-NE2 3.29Å; H46-H68 PolarHBondContact ND1-NE2 3.37Å; H46-H68 AromaticContact NE2-CE1 3.37Å; H46-H68 PolarHBondContact NE2-CE1 3.29Å; H46-H68 AromaticContact NE2-NE2 3.69Å; C48-H68 CarbonylContact C-O 3.53Å; C48-H68 WeakPolarHBondContact CA-O 3.43Å; E49-H68 WeakPolarHBondContact CB-O 3.29Å; E49-H68 PolarHBondContact N-O 3.37Å; I55-H68 HydrophobicContact CD1-CB 3.66Å; D61-H68 VanDerWaalsContact CG-ND1 3.32Å; D61-H68 WeakPolarHBondContact OD1-CB 3.33Å; D61-H68 IonicContact OD1-CE1 3.3Å; D61-H68 IonicContact OD1-CG 3.8Å; D61-H68 IonicContact OD1-ND1 3.93Å; D61-H68 PolarHBondContact OD1-ND1 3.25Å; D61-H68 IonicContact OD2-CE1 3.76Å; D61-H68 IonicContact OD2-ND1 3.9Å; D61-H68 PolarHBondContact OD2-ND1 3.45Å; D61-H68 VanDerWaalsContact OD2-ND1 3.1Å; L62-H68 CarbonylContact O-C 3.52Å; L62-H68 WeakPolarHBondContact O-CA 3.27Å
69	W	97	Very high	95.2	Very high	9 Å²	9	62.5 Å²	62.5	3%	0.034	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145	177.3	-66.1	-104.3	0	0	0	110.3	E49 L62 F64 K67 F74 L95	E49-W69 HydrophobicContact CB-CD2 4.14Å; E49-W69 HydrophobicContact CB-CG 4.47Å; E49-W69 HydrophobicContact CB-CZ2 3.85Å; E49-W69 HydrophobicContact CG-CZ2 3.83Å; L62-W69 PolarHBondContact N-O 3.33Å; L62-W69 VanDerWaalsContact N-O 3.15Å; L62-W69 PolarHBondContact O-N 2.81Å; F64-W69 HydrophobicContact CB-CZ3 4.04Å; K67-W69 VanDerWaalsContact C-CZ3 3.45Å; K67-W69 HydrophobicContact CB-CE3 4.36Å; K67-W69 HydrophobicContact CB-CH2 3.27Å; K67-W69 HydrophobicContact CB-CZ2 4.05Å; K67-W69 HydrophobicContact CB-CZ3 3.46Å; K67-W69 VanDerWaalsContact CB-CZ3 3.46Å; K67-W69 HydrophobicContact CD-CH2 3.94Å; K67-W69 HydrophobicContact CD-CZ2 4.26Å; K67-W69 HydrophobicContact CG-CH2 4.27Å; K67-W69 VanDerWaalsContact O-CZ3 3.27Å; K67-W69 WeakPolarHBondContact O-CZ3 3.35Å; W69-F74 HydrophobicContact CB-CB 4.07Å; W69-F74 HydrophobicContact CB-CD2 3.73Å; W69-F74 HydrophobicContact CB-CG 4.38Å; W69-F74 AromaticContact CD2-CD2 3.75Å; W69-F74 HydrophobicContact CD2-CD2 3.75Å; W69-F74 HydrophobicContact CD2-CE2 4.02Å; W69-F74 AromaticContact CE3-CD2 3.92Å; W69-F74 HydrophobicContact CE3-CD2 3.92Å; W69-F74 AromaticContact CE3-CE2 3.82Å; W69-F74 HydrophobicContact CE3-CE2 3.82Å; W69-F74 AromaticContact CG-CD2 3.69Å; W69-F74 HydrophobicContact CG-CD2 3.69Å; W69-F74 HydrophobicContact CG-CE2 4.43Å; W69-F74 HydrophobicContact CZ3-CE2 4.24Å; W69-L95 HydrophobicContact CD2-CD1 4.37Å; W69-L95 HydrophobicContact CG-CD1 4.47Å; W69-L95 HydrophobicContact CZ2-CD1 4.34Å; W69-L95 HydrophobicContact CZ2-CD2 4.38Å; W69-L95 HydrophobicContact CZ2-CG 4.46Å
70	H	96.6	Very high	95.6	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.065	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	148.5	158.7	-55.4	105.4	0	0	0	109.1	C48 C51 E53 K54 R72 C73 F74	C48-H70 WeakPolarHBondContact CB-CE1 3.09Å; C48-H70 VanDerWaalsContact CB-ND1 3.27Å; C48-H70 WeakPolarHBondContact CB-ND1 3.38Å; C48-H70 PolarHBondContact SG-ND1 3.44Å; C48-H70 VanDerWaalsContact SG-ND1 3.37Å; C51-H70 PolarHBondContact SG-CE1 3.18Å; C51-H70 PolarHBondContact SG-ND1 3.1Å; E53-H70 PolarHBondContact O-CE1 2.93Å; K54-H70 PolarHBondContact O-NE2 2.82Å; H70-R72 VanDerWaalsContact C-N 3.26Å; H70-R72 HydrophobicContact CB-CG 3.93Å; H70-R72 PolarHBondContact O-N 2.71Å; H70-C73 HydrophobicContact CB-CB 3.99Å; H70-C73 CarbonylContact O-C 3.58Å; H70-C73 WeakPolarHBondContact O-CA 3.19Å; H70-C73 WeakPolarHBondContact O-CB 3.38Å; H70-C73 PolarHBondContact O-N 3.11Å; H70-F74 PolarHBondContact O-N 2.95Å; H70-F74 VanDerWaalsContact O-N 3.11Å
71	E	95.7	Very high	95.9	Very high	87 Å²	87	63.1 Å²	63.1	41%	0.407	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-52.2	-43.9	172.6	-176.3	167.2	-152.1	0	0	112.8	K60 L62 C73 F74 A84	K60-E71 HydrophobicContact CB-CB 4.4Å; K60-E71 IonicContact NZ-OE1 3.1Å; L62-E71 HydrophobicContact CD1-CB 4.3Å; L62-E71 HydrophobicContact CD1-CG 4.44Å; E71-C73 PolarHBondContact O-N 2.69Å; E71-F74 PolarHBondContact O-N 3.18Å; E71-A84 HydrophobicContact CG-CB 4.12Å
72	R	95.3	Very high	96.1	Very high	182 Å²	182	63.2 Å²	63.2	69%	0.687	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66	-15.1	174.6	71.6	-178.7	178.4	106.4	0.6	114.7	H70 F75	H70-R72 VanDerWaalsContact C-N 3.26Å; H70-R72 HydrophobicContact CB-CG 3.93Å; H70-R72 PolarHBondContact O-N 2.71Å; R72-F75 WeakPolarHBondContact O-CD1 3.24Å; R72-F75 VanDerWaalsContact O-CE1 3.24Å; R72-F75 WeakPolarHBondContact O-CE1 3.45Å
73	C	96.7	Very high	96.2	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.047	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-103.8	-0.1	-179.9	-69.8	0	0	0	0	112.3	C48 L50 H70 E71	C48-C73 VanDerWaalsContact SG-CB 3.52Å; L50-C73 HydrophobicContact CB-CB 4.01Å; L50-C73 HydrophobicContact CD2-CB 3.81Å; L50-C73 WeakPolarHBondContact CD2-O 3.18Å; H70-C73 HydrophobicContact CB-CB 3.99Å; H70-C73 CarbonylContact O-C 3.58Å; H70-C73 WeakPolarHBondContact O-CA 3.19Å; H70-C73 WeakPolarHBondContact O-CB 3.38Å; H70-C73 PolarHBondContact O-N 3.11Å; E71-C73 PolarHBondContact O-N 2.69Å
74	F	97.5	Very high	96.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.035	30%	0.301	C	S	.	.			trans	-104.8	76.2	-177.7	-161	-99.4	0	0	0	110.4	L62 W69 H70 E71 L83 F88 L95	L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CG 4.36Å; L62-F74 HydrophobicContact CD1-CB 3.48Å; L62-F74 VanDerWaalsContact CD1-CB 3.48Å; L62-F74 HydrophobicContact CD1-CD1 3.72Å; L62-F74 HydrophobicContact CD1-CD2 4.39Å; L62-F74 HydrophobicContact CD1-CG 3.61Å; W69-F74 HydrophobicContact CB-CB 4.07Å; W69-F74 HydrophobicContact CB-CD2 3.73Å; W69-F74 HydrophobicContact CB-CG 4.38Å; W69-F74 AromaticContact CD2-CD2 3.75Å; W69-F74 HydrophobicContact CD2-CD2 3.75Å; W69-F74 HydrophobicContact CD2-CE2 4.02Å; W69-F74 AromaticContact CE3-CD2 3.92Å; W69-F74 HydrophobicContact CE3-CD2 3.92Å; W69-F74 AromaticContact CE3-CE2 3.82Å; W69-F74 HydrophobicContact CE3-CE2 3.82Å; W69-F74 AromaticContact CG-CD2 3.69Å; W69-F74 HydrophobicContact CG-CD2 3.69Å; W69-F74 HydrophobicContact CG-CE2 4.43Å; W69-F74 HydrophobicContact CZ3-CE2 4.24Å; H70-F74 PolarHBondContact O-N 2.95Å; H70-F74 VanDerWaalsContact O-N 3.11Å; E71-F74 PolarHBondContact O-N 3.18Å; F74-L83 HydrophobicContact CD1-CB 3.6Å; F74-L83 HydrophobicContact CE1-CB 3.6Å; F74-L83 WeakPolarHBondContact CE1-O 3.3Å; F74-L83 PolarHBondContact O-N 3.14Å; F74-F88 HydrophobicContact CE1-CD1 4.02Å; F74-F88 HydrophobicContact CE1-CE1 4.1Å; F74-F88 HydrophobicContact CE1-CG 4.43Å; F74-F88 HydrophobicContact CE2-CZ 4.5Å; F74-F88 AromaticContact CZ-CD1 3.87Å; F74-F88 HydrophobicContact CZ-CD1 3.87Å; F74-F88 HydrophobicContact CZ-CD2 4.16Å; F74-F88 AromaticContact CZ-CE1 3.63Å; F74-F88 HydrophobicContact CZ-CE1 3.63Å; F74-F88 AromaticContact CZ-CE2 3.91Å; F74-F88 HydrophobicContact CZ-CE2 3.91Å; F74-F88 HydrophobicContact CZ-CG 4.15Å; F74-F88 AromaticContact CZ-CZ 3.66Å; F74-F88 HydrophobicContact CZ-CZ 3.66Å; F74-L95 HydrophobicContact CD2-CD1 3.46Å; F74-L95 VanDerWaalsContact CD2-CD1 3.46Å; F74-L95 HydrophobicContact CD2-CD2 4.48Å; F74-L95 HydrophobicContact CE2-CD1 3.64Å; F74-L95 HydrophobicContact CE2-CD2 3.79Å; F74-L95 HydrophobicContact CE2-CG 4.41Å; F74-L95 HydrophobicContact CG-CD1 4.12Å; F74-L95 HydrophobicContact CZ-CD1 4.4Å; F74-L95 HydrophobicContact CZ-CD2 4.12Å
75	F	98	Very high	96.2	Very high	50 Å²	50	62.3 Å²	62.3	22%	0.219	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-137.1	161	-175.7	54.4	-104.1	0	0	0	111.6	L50 R72 S77 Q80 A81	L50-F75 HydrophobicContact CD2-CE1 3.64Å; L50-F75 HydrophobicContact CD2-CE2 4.26Å; L50-F75 HydrophobicContact CD2-CZ 3.41Å; L50-F75 VanDerWaalsContact CD2-CZ 3.41Å; R72-F75 WeakPolarHBondContact O-CD1 3.24Å; R72-F75 VanDerWaalsContact O-CE1 3.24Å; R72-F75 WeakPolarHBondContact O-CE1 3.45Å; F75-S77 PolarHBondContact O-N 3.06Å; F75-Q80 VanDerWaalsContact CD2-OE1 3.27Å; F75-A81 CarbonylContact C-O 3.53Å; F75-A81 VanDerWaalsContact CA-O 3.25Å; F75-A81 WeakPolarHBondContact CA-O 3.25Å; F75-A81 WeakPolarHBondContact CB-O 3.21Å
76	C	98.3	Very high	96.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.			trans	-68.2	126.4	177.3	176.2	0	0	0	0	111.3	V78 C79 Q80 A81 L83 L95 C97	C76-V78 PolarHBondContact O-N 3.19Å; C76-V78 PolarHBondContact SG-N 3.05Å; C76-V78 VanDerWaalsContact SG-N 3.39Å; C76-C79 VanDerWaalsContact CB-SG 3.54Å; C76-Q80 WeakPolarHBondContact O-CA 3.47Å; C76-Q80 PolarHBondContact O-N 2.9Å; C76-Q80 PolarHBondContact O-NE2 3.41Å; C76-A81 PolarHBondContact N-O 2.94Å; C76-L83 HydrophobicContact CB-CD1 4.23Å; C76-L83 HydrophobicContact CB-CD2 4.41Å; C76-L83 HydrophobicContact CB-CG 4.45Å; C76-L95 CarbonylContact C-O 3.48Å; C76-L95 WeakPolarHBondContact CA-O 3.4Å; C76-C97 HydrophobicContact CB-CB 4.23Å; C76-C97 PolarHBondContact SG-N 2.92Å; C76-C97 VanDerWaalsContact SG-N 3.38Å
77	S	97.3	Very high	96.6	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.9	178.1	-57.8	0	0	0	0	114.1	F75 Q80 D94 L95	F75-S77 PolarHBondContact O-N 3.06Å; S77-Q80 PolarHBondContact O-NE2 2.92Å; S77-D94 PolarHBondContact OG-OD1 3.24Å; S77-D94 VanDerWaalsContact OG-OD1 3.11Å; S77-L95 PolarHBondContact N-O 2.89Å; S77-L95 PolarHBondContact OG-O 3.38Å
78	V	97.5	Very high	96.7	Very high	79 Å²	79	58.1 Å²	58.1	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-61.9	179.1	-178.6	0	0	0	0	111.5	C76 Y96 C100 K104	C76-V78 PolarHBondContact O-N 3.19Å; C76-V78 PolarHBondContact SG-N 3.05Å; C76-V78 VanDerWaalsContact SG-N 3.39Å; V78-Y96 HydrophobicContact CG2-CD1 3.83Å; V78-Y96 HydrophobicContact CG2-CE1 3.72Å; V78-C100 HydrophobicContact CB-CB 3.88Å; V78-C100 HydrophobicContact CG1-CB 4.25Å; V78-C100 HydrophobicContact CG2-CB 4.14Å; V78-K104 HydrophobicContact CG2-CD 4.48Å
79	C	97.6	Very high	96.7	Very high	64 Å²	64	58 Å²	58	43%	0.432	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.3	-173.9	69.4	0	0	0	0	114.3	C76 A81	C76-C79 VanDerWaalsContact CB-SG 3.54Å; C79-A81 PolarHBondContact O-N 3.33Å; C79-A81 VanDerWaalsContact SG-CB 3.6Å
80	Q	97.4	Very high	96.6	Very high	115 Å²	115	60.3 Å²	60.3	54%	0.537	32%	0.324	S	S	.	.			trans	61.2	8.7	-178.8	-53.8	-63.7	-51	0	0	114.9	F75 C76 S77	F75-Q80 VanDerWaalsContact CD2-OE1 3.27Å; C76-Q80 WeakPolarHBondContact O-CA 3.47Å; C76-Q80 PolarHBondContact O-N 2.9Å; C76-Q80 PolarHBondContact O-NE2 3.41Å; S77-Q80 PolarHBondContact O-NE2 2.92Å
81	A	97.5	Very high	96.5	Very high	36 Å²	36	63.1 Å²	63.1	30%	0.298	34%	0.336	S	S	.	.			trans	-66.6	136.9	174.8	0	0	0	0	0	110.6	F75 C76 C79	F75-A81 CarbonylContact C-O 3.53Å; F75-A81 VanDerWaalsContact CA-O 3.25Å; F75-A81 WeakPolarHBondContact CA-O 3.25Å; F75-A81 WeakPolarHBondContact CB-O 3.21Å; C76-A81 PolarHBondContact N-O 2.94Å; C79-A81 PolarHBondContact O-N 3.33Å; C79-A81 VanDerWaalsContact SG-CB 3.6Å
82	S	97.4	Very high	96.4	Very high	61 Å²	61	65 Å²	65	43%	0.427	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-58.5	137.4	172	174.9	0	0	0	0	111	A84	S82-A84 PolarHBondContact OG-N 3.1Å
83	L	97.7	Very high	96.1	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	35%	0.346	C	S	.	.			trans	-109.5	1.3	-179.9	-63.6	173.4	0	0	0	112.7	F74 C76 D85 K86 F88 L95 C97	F74-L83 HydrophobicContact CD1-CB 3.6Å; F74-L83 HydrophobicContact CE1-CB 3.6Å; F74-L83 WeakPolarHBondContact CE1-O 3.3Å; F74-L83 PolarHBondContact O-N 3.14Å; C76-L83 HydrophobicContact CB-CD1 4.23Å; C76-L83 HydrophobicContact CB-CD2 4.41Å; C76-L83 HydrophobicContact CB-CG 4.45Å; L83-D85 PolarHBondContact O-N 3.05Å; L83-K86 PolarHBondContact O-N 3.11Å; L83-F88 HydrophobicContact CB-CB 4.36Å; L83-F88 HydrophobicContact CD1-CB 3.87Å; L83-F88 HydrophobicContact CD2-CB 4.2Å; L83-F88 HydrophobicContact CG-CB 4.37Å; L83-L95 HydrophobicContact CD1-CB 3.77Å; L83-C97 HydrophobicContact CD2-CB 3.78Å
84	A	94.6	Very high	96	Very high	16 Å²	16	64.6 Å²	64.6	13%	0.132	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.4	-168.8	0	0	0	0	0	114	L62 E71 S82	L62-A84 HydrophobicContact CD1-CB 3.65Å; E71-A84 HydrophobicContact CG-CB 4.12Å; S82-A84 PolarHBondContact OG-N 3.1Å
85	D	93.6	Very high	96	Very high	135 Å²	135	64.5 Å²	64.5	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	26.4	179.4	-48.5	-57.5	0	0	0	111.7	K60 L83	K60-D85 IonicContact NZ-OD1 3.97Å; K60-D85 PolarHBondContact NZ-OD1 2.83Å; L83-D85 PolarHBondContact O-N 3.05Å
86	K	95.1	Very high	96.1	Very high	123 Å²	123	62.2 Å²	62.2	54%	0.535	35%	0.35	S	S	.	.	S	Bend	trans	-124.8	152.6	-179.3	-62.7	-176.6	-173	168.8	0	111.1	L83	L83-K86 PolarHBondContact O-N 3.11Å
87	P	96.2	Very high	96	Very high	100 Å²	100	62.8 Å²	62.8	65%	0.649	35%	0.354	S	S	*	.			trans	-56	143.9	167.5	-21.2	32.6	0	0	0	110.5	P98	P87-P98 HydrophobicContact CB-CG 4.03Å; P87-P98 WeakPolarHBondContact O-CD 3.3Å
88	F	97.3	Very high	95.9	Very high	63 Å²	63	63.1 Å²	63.1	28%	0.276	36%	0.355	S	S	.	.			trans	-146.2	162	177.4	67.6	-83.2	0	0	0	110.7	F64 F74 L83 T90 L95 Y96	F64-F88 HydrophobicContact CB-CE2 4.3Å; F64-F88 HydrophobicContact CB-CZ 3.88Å; F64-F88 AromaticContact CD1-CE2 3.95Å; F64-F88 HydrophobicContact CD1-CE2 3.95Å; F64-F88 HydrophobicContact CD1-CZ 4.2Å; F64-F88 HydrophobicContact CD2-CE2 4.2Å; F64-F88 AromaticContact CD2-CZ 3.68Å; F64-F88 HydrophobicContact CD2-CZ 3.68Å; F64-F88 HydrophobicContact CE1-CE2 4.29Å; F64-F88 HydrophobicContact CE2-CZ 4.23Å; F64-F88 AromaticContact CG-CE2 3.89Å; F64-F88 HydrophobicContact CG-CE2 3.89Å; F64-F88 AromaticContact CG-CZ 3.65Å; F64-F88 HydrophobicContact CG-CZ 3.65Å; F74-F88 HydrophobicContact CE1-CD1 4.02Å; F74-F88 HydrophobicContact CE1-CE1 4.1Å; F74-F88 HydrophobicContact CE1-CG 4.43Å; F74-F88 HydrophobicContact CE2-CZ 4.5Å; F74-F88 AromaticContact CZ-CD1 3.87Å; F74-F88 HydrophobicContact CZ-CD1 3.87Å; F74-F88 HydrophobicContact CZ-CD2 4.16Å; F74-F88 AromaticContact CZ-CE1 3.63Å; F74-F88 HydrophobicContact CZ-CE1 3.63Å; F74-F88 AromaticContact CZ-CE2 3.91Å; F74-F88 HydrophobicContact CZ-CE2 3.91Å; F74-F88 HydrophobicContact CZ-CG 4.15Å; F74-F88 AromaticContact CZ-CZ 3.66Å; F74-F88 HydrophobicContact CZ-CZ 3.66Å; L83-F88 HydrophobicContact CB-CB 4.36Å; L83-F88 HydrophobicContact CD1-CB 3.87Å; L83-F88 HydrophobicContact CD2-CB 4.2Å; L83-F88 HydrophobicContact CG-CB 4.37Å; F88-T90 HydrophobicContact CD2-CG2 4.07Å; F88-T90 HydrophobicContact CE2-CG2 3.83Å; F88-L95 HydrophobicContact CD2-CD2 3.66Å; F88-L95 HydrophobicContact CE2-CD2 3.86Å; F88-Y96 CarbonylContact C-O 3.57Å; F88-Y96 VanDerWaalsContact CA-O 3.3Å; F88-Y96 WeakPolarHBondContact CA-O 3.33Å; F88-Y96 WeakPolarHBondContact CB-O 3.46Å
89	A	96	Very high	95.8	Very high	26 Å²	26	65.8 Å²	65.8	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.9	170.9	0	0	0	0	0	110	Y96 Y101	A89-Y96 PolarHBondContact N-O 2.87Å; A89-Y96 PolarHBondContact O-N 3.37Å; A89-Y101 HydrophobicContact CB-CD1 4.28Å; A89-Y101 HydrophobicContact CB-CD2 3.44Å; A89-Y101 VanDerWaalsContact CB-CD2 3.44Å; A89-Y101 HydrophobicContact CB-CE2 3.83Å; A89-Y101 HydrophobicContact CB-CG 3.69Å
90	T	94.9	Very high	95.8	Very high	56 Å²	56	63.7 Å²	63.7	34%	0.344	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.2	176	59.2	0	0	0	0	110.5	F64 F88 D94 L95	F64-T90 HydrophobicContact CD1-CG2 3.87Å; F64-T90 HydrophobicContact CE1-CG2 3.72Å; F88-T90 HydrophobicContact CD2-CG2 4.07Å; F88-T90 HydrophobicContact CE2-CG2 3.83Å; T90-D94 VanDerWaalsContact CA-O 3.3Å; T90-D94 WeakPolarHBondContact CA-O 3.4Å; T90-L95 HydrophobicContact CG2-CD2 3.81Å
91	K	95.3	Very high	95.7	Very high	73 Å²	73	61.6 Å²	61.6	32%	0.317	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	133.3	170.6	-177.8	171.2	179.6	179.9	0	109.8	N93 D94 Y96 Y101 F105	K91-N93 PolarHBondContact O-N 2.8Å; K91-N93 VanDerWaalsContact O-N 3.14Å; K91-D94 PolarHBondContact N-O 2.87Å; K91-D94 VanDerWaalsContact N-O 3.1Å; K91-D94 WeakPolarHBondContact O-CB 3.34Å; K91-D94 PolarHBondContact O-N 3.48Å; K91-Y96 HydrophobicContact CB-CE2 4.16Å; K91-Y101 HydrophobicContact CB-CE2 4.01Å; K91-Y101 HydrophobicContact CD-CE2 4.28Å; K91-F105 HydrophobicContact CB-CE2 4.45Å; K91-F105 HydrophobicContact CD-CD1 3.93Å; K91-F105 HydrophobicContact CD-CD2 4.01Å; K91-F105 HydrophobicContact CD-CE1 3.81Å; K91-F105 HydrophobicContact CD-CE2 3.91Å; K91-F105 HydrophobicContact CD-CG 4.01Å; K91-F105 HydrophobicContact CD-CZ 3.78Å; K91-F105 HydrophobicContact CG-CZ 4.47Å
92	D	92.3	Very high	95.6	Very high	127 Å²	127	63 Å²	63	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	36.3	-179.8	-51.5	-38	0	0	0	113.4	D94	D92-D94 PolarHBondContact O-N 2.98Å
93	N	89.9	Confident	95.4	Very high	114 Å²	114	65.5 Å²	65.5	61%	0.61	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-2.7	-175.3	-52.6	-46.6	0	0	0	116.9	K67 K91	K67-N93 PolarHBondContact NZ-OD1 3.4Å; K91-N93 PolarHBondContact O-N 2.8Å; K91-N93 VanDerWaalsContact O-N 3.14Å
94	D	95.4	Very high	95.3	Very high	66 Å²	66	70.7 Å²	70.7	35%	0.353	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	151.9	173.1	-78.8	-41.9	0	0	0	112.3	S77 T90 K91 D92 Y96	S77-D94 PolarHBondContact OG-OD1 3.24Å; S77-D94 VanDerWaalsContact OG-OD1 3.11Å; T90-D94 VanDerWaalsContact CA-O 3.3Å; T90-D94 WeakPolarHBondContact CA-O 3.4Å; K91-D94 PolarHBondContact N-O 2.87Å; K91-D94 VanDerWaalsContact N-O 3.1Å; K91-D94 WeakPolarHBondContact O-CB 3.34Å; K91-D94 PolarHBondContact O-N 3.48Å; D92-D94 PolarHBondContact O-N 2.98Å; D94-Y96 HydrophobicContact CB-CD2 4.19Å; D94-Y96 HydrophobicContact CB-CE2 3.3Å; D94-Y96 WeakPolarHBondContact CB-OH 3.21Å; D94-Y96 PolarHBondContact OD2-OH 3.24Å; D94-Y96 VanDerWaalsContact OD2-OH 3.05Å
95	L	97.7	Very high	95.2	Very high	6 Å²	6	72.5 Å²	72.5	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.1	174.7	-66.6	166.5	0	0	0	110.2	W69 F74 C76 S77 L83 F88 T90	W69-L95 HydrophobicContact CD2-CD1 4.37Å; W69-L95 HydrophobicContact CG-CD1 4.47Å; W69-L95 HydrophobicContact CZ2-CD1 4.34Å; W69-L95 HydrophobicContact CZ2-CD2 4.38Å; W69-L95 HydrophobicContact CZ2-CG 4.46Å; F74-L95 HydrophobicContact CD2-CD1 3.46Å; F74-L95 VanDerWaalsContact CD2-CD1 3.46Å; F74-L95 HydrophobicContact CD2-CD2 4.48Å; F74-L95 HydrophobicContact CE2-CD1 3.64Å; F74-L95 HydrophobicContact CE2-CD2 3.79Å; F74-L95 HydrophobicContact CE2-CG 4.41Å; F74-L95 HydrophobicContact CG-CD1 4.12Å; F74-L95 HydrophobicContact CZ-CD1 4.4Å; F74-L95 HydrophobicContact CZ-CD2 4.12Å; C76-L95 CarbonylContact C-O 3.48Å; C76-L95 WeakPolarHBondContact CA-O 3.4Å; S77-L95 PolarHBondContact N-O 2.89Å; S77-L95 PolarHBondContact OG-O 3.38Å; L83-L95 HydrophobicContact CD1-CB 3.77Å; F88-L95 HydrophobicContact CD2-CD2 3.66Å; F88-L95 HydrophobicContact CE2-CD2 3.86Å; T90-L95 HydrophobicContact CG2-CD2 3.81Å
96	Y	98.1	Very high	95.3	Very high	3 Å²	3	67 Å²	67	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.6	-179.8	-60.4	-88.9	0	0	0	110.9	V78 F88 A89 K91 D94 Y101 K104 F105	V78-Y96 HydrophobicContact CG2-CD1 3.83Å; V78-Y96 HydrophobicContact CG2-CE1 3.72Å; F88-Y96 CarbonylContact C-O 3.57Å; F88-Y96 VanDerWaalsContact CA-O 3.3Å; F88-Y96 WeakPolarHBondContact CA-O 3.33Å; F88-Y96 WeakPolarHBondContact CB-O 3.46Å; A89-Y96 PolarHBondContact N-O 2.87Å; A89-Y96 PolarHBondContact O-N 3.37Å; K91-Y96 HydrophobicContact CB-CE2 4.16Å; D94-Y96 HydrophobicContact CB-CD2 4.19Å; D94-Y96 HydrophobicContact CB-CE2 3.3Å; D94-Y96 WeakPolarHBondContact CB-OH 3.21Å; D94-Y96 PolarHBondContact OD2-OH 3.24Å; D94-Y96 VanDerWaalsContact OD2-OH 3.05Å; Y96-Y101 HydrophobicContact CD2-CD2 4.15Å; Y96-Y101 HydrophobicContact CG-CD2 4.25Å; Y96-K104 HydrophobicContact CE1-CD 3.84Å; Y96-K104 PolarHBondContact OH-NZ 3.02Å; Y96-F105 HydrophobicContact CD1-CE2 4.22Å; Y96-F105 HydrophobicContact CD2-CE2 4.12Å; Y96-F105 AromaticContact CE1-CE2 3.92Å; Y96-F105 HydrophobicContact CE1-CE2 3.92Å; Y96-F105 HydrophobicContact CE1-CZ 4.2Å; Y96-F105 AromaticContact CE2-CE2 3.8Å; Y96-F105 HydrophobicContact CE2-CE2 3.8Å; Y96-F105 HydrophobicContact CE2-CZ 4.12Å; Y96-F105 HydrophobicContact CG-CE2 4.32Å; Y96-F105 AromaticContact CZ-CE2 3.72Å; Y96-F105 AromaticContact CZ-CZ 3.78Å
97	C	97.7	Very high	95.2	Very high	11 Å²	11	64.8 Å²	64.8	7%	0.074	34%	0.341	C	S	.	.			trans	-68.8	157.8	161.7	76.6	0	0	0	0	109.6	C76 L83 E99 C100 Y101	C76-C97 HydrophobicContact CB-CB 4.23Å; C76-C97 PolarHBondContact SG-N 2.92Å; C76-C97 VanDerWaalsContact SG-N 3.38Å; L83-C97 HydrophobicContact CD2-CB 3.78Å; C97-E99 VanDerWaalsContact C-N 3.26Å; C97-E99 PolarHBondContact O-N 3.04Å; C97-E99 PolarHBondContact SG-OE2 2.97Å; C97-C100 PolarHBondContact O-N 3.19Å; C97-C100 PolarHBondContact SG-N 3.44Å; C97-C100 VanDerWaalsContact SG-N 3.42Å; C97-Y101 WeakPolarHBondContact O-CB 3.41Å; C97-Y101 PolarHBondContact O-N 3.3Å
98	P	95.2	Very high	95.2	Very high	50 Å²	50	64.6 Å²	64.6	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-55.2	-41.3	-176.6	-26.9	36.7	0	0	0	112.8	P87 Y101 D102	P87-P98 HydrophobicContact CB-CG 4.03Å; P87-P98 WeakPolarHBondContact O-CD 3.3Å; P98-Y101 PolarHBondContact O-N 2.89Å; P98-D102 WeakPolarHBondContact O-CB 3.44Å; P98-D102 PolarHBondContact O-N 2.93Å
99	E	95.1	Very high	95.2	Very high	134 Å²	134	61.6 Å²	61.6	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-66.2	-45.5	-178.7	-56.1	79.4	-172.6	0	0	112	C97 Y101 E103	C97-E99 VanDerWaalsContact C-N 3.26Å; C97-E99 PolarHBondContact O-N 3.04Å; C97-E99 PolarHBondContact SG-OE2 2.97Å; E99-Y101 VanDerWaalsContact C-N 3.35Å; E99-E103 WeakPolarHBondContact O-CB 3.49Å; E99-E103 PolarHBondContact O-N 3.28Å
100	C	97.2	Very high	95.2	Very high	21 Å²	21	63.2 Å²	63.2	14%	0.142	32%	0.319	C	S	.	.	H	α-helix	trans	-71	-32.1	178	-71.4	0	0	0	0	112.3	V78 C97 K104	V78-C100 HydrophobicContact CB-CB 3.88Å; V78-C100 HydrophobicContact CG1-CB 4.25Å; V78-C100 HydrophobicContact CG2-CB 4.14Å; C97-C100 PolarHBondContact O-N 3.19Å; C97-C100 PolarHBondContact SG-N 3.44Å; C97-C100 VanDerWaalsContact SG-N 3.42Å; C100-K104 VanDerWaalsContact O-CB 3.24Å; C100-K104 WeakPolarHBondContact O-CB 3.45Å; C100-K104 PolarHBondContact O-N 3.39Å
101	Y	96.1	Very high	95.1	Very high	71 Å²	71	62.8 Å²	62.8	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-50.2	174.1	-173.8	-90.6	0	0	0	110.7	A89 K91 Y96 C97 P98 E99 E103 K104 F105	A89-Y101 HydrophobicContact CB-CD1 4.28Å; A89-Y101 HydrophobicContact CB-CD2 3.44Å; A89-Y101 VanDerWaalsContact CB-CD2 3.44Å; A89-Y101 HydrophobicContact CB-CE2 3.83Å; A89-Y101 HydrophobicContact CB-CG 3.69Å; K91-Y101 HydrophobicContact CB-CE2 4.01Å; K91-Y101 HydrophobicContact CD-CE2 4.28Å; Y96-Y101 HydrophobicContact CD2-CD2 4.15Å; Y96-Y101 HydrophobicContact CG-CD2 4.25Å; C97-Y101 WeakPolarHBondContact O-CB 3.41Å; C97-Y101 PolarHBondContact O-N 3.3Å; P98-Y101 PolarHBondContact O-N 2.89Å; E99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-E103 PolarHBondContact O-N 3.45Å; Y101-K104 PolarHBondContact O-N 2.9Å; Y101-F105 AromaticContact CD2-CD2 3.56Å; Y101-F105 HydrophobicContact CD2-CD2 3.56Å; Y101-F105 AromaticContact CD2-CE2 3.94Å; Y101-F105 HydrophobicContact CD2-CE2 3.94Å; Y101-F105 HydrophobicContact CE1-CB 4.48Å; Y101-F105 AromaticContact CE2-CD2 3.66Å; Y101-F105 HydrophobicContact CE2-CD2 3.66Å; Y101-F105 HydrophobicContact CE2-CE2 4.13Å; Y101-F105 HydrophobicContact CG-CD2 4.02Å; Y101-F105 WeakPolarHBondContact O-CB 3.27Å; Y101-F105 WeakPolarHBondContact O-CD2 3.18Å; Y101-F105 PolarHBondContact O-N 3.42Å
102	D	94.3	Very high	95.1	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-47.1	178.1	-83.6	-25.9	0	0	0	111.4	P98 K104 F105 S106 I115	P98-D102 WeakPolarHBondContact O-CB 3.44Å; P98-D102 PolarHBondContact O-N 2.93Å; D102-K104 VanDerWaalsContact C-N 3.3Å; D102-K104 PolarHBondContact O-N 3.38Å; D102-F105 PolarHBondContact O-N 2.78Å; D102-S106 WeakPolarHBondContact CA-OG 3.24Å; D102-S106 WeakPolarHBondContact O-CB 3.35Å; D102-S106 PolarHBondContact O-N 2.63Å; D102-S106 PolarHBondContact OD1-OG 3.26Å; D102-I115 HydrophobicContact CB-CD1 4.05Å
103	E	93.9	Very high	95.3	Very high	113 Å²	113	61.8 Å²	61.8	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-39.5	179	-171	55.3	-133.7	0	0	111.5	E99 Y101 R108	E99-E103 WeakPolarHBondContact O-CB 3.49Å; E99-E103 PolarHBondContact O-N 3.28Å; Y101-E103 PolarHBondContact O-N 3.45Å; E103-R108 PolarHBondContact O-NH1 3.23Å; E103-R108 PolarHBondContact O-NH2 3.5Å; E103-R108 IonicContact OE1-CZ 3.53Å; E103-R108 IonicContact OE1-NH2 3.99Å; E103-R108 PolarHBondContact OE1-NH2 2.96Å
104	K	94.5	Very high	95.6	Very high	110 Å²	110	63.4 Å²	63.4	48%	0.478	32%	0.323	S	S	.	.	H	α-helix	trans	-79.3	-31.9	-177	-164.6	172.1	172.5	-175.1	0	113.1	V78 Y96 C100 Y101 D102	V78-K104 HydrophobicContact CG2-CD 4.48Å; Y96-K104 HydrophobicContact CE1-CD 3.84Å; Y96-K104 PolarHBondContact OH-NZ 3.02Å; C100-K104 VanDerWaalsContact O-CB 3.24Å; C100-K104 WeakPolarHBondContact O-CB 3.45Å; C100-K104 PolarHBondContact O-N 3.39Å; Y101-K104 PolarHBondContact O-N 2.9Å; D102-K104 VanDerWaalsContact C-N 3.3Å; D102-K104 PolarHBondContact O-N 3.38Å
105	F	94.4	Very high	95.5	Very high	55 Å²	55	62.6 Å²	62.6	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-129.5	-15.9	-164.2	-53.8	-61.1	0	0	0	115.9	K91 Y96 Y101 D102	K91-F105 HydrophobicContact CB-CE2 4.45Å; K91-F105 HydrophobicContact CD-CD1 3.93Å; K91-F105 HydrophobicContact CD-CD2 4.01Å; K91-F105 HydrophobicContact CD-CE1 3.81Å; K91-F105 HydrophobicContact CD-CE2 3.91Å; K91-F105 HydrophobicContact CD-CG 4.01Å; K91-F105 HydrophobicContact CD-CZ 3.78Å; K91-F105 HydrophobicContact CG-CZ 4.47Å; Y96-F105 HydrophobicContact CD1-CE2 4.22Å; Y96-F105 HydrophobicContact CD2-CE2 4.12Å; Y96-F105 AromaticContact CE1-CE2 3.92Å; Y96-F105 HydrophobicContact CE1-CE2 3.92Å; Y96-F105 HydrophobicContact CE1-CZ 4.2Å; Y96-F105 AromaticContact CE2-CE2 3.8Å; Y96-F105 HydrophobicContact CE2-CE2 3.8Å; Y96-F105 HydrophobicContact CE2-CZ 4.12Å; Y96-F105 HydrophobicContact CG-CE2 4.32Å; Y96-F105 AromaticContact CZ-CE2 3.72Å; Y96-F105 AromaticContact CZ-CZ 3.78Å; Y101-F105 AromaticContact CD2-CD2 3.56Å; Y101-F105 HydrophobicContact CD2-CD2 3.56Å; Y101-F105 AromaticContact CD2-CE2 3.94Å; Y101-F105 HydrophobicContact CD2-CE2 3.94Å; Y101-F105 HydrophobicContact CE1-CB 4.48Å; Y101-F105 AromaticContact CE2-CD2 3.66Å; Y101-F105 HydrophobicContact CE2-CD2 3.66Å; Y101-F105 HydrophobicContact CE2-CE2 4.13Å; Y101-F105 HydrophobicContact CG-CD2 4.02Å; Y101-F105 WeakPolarHBondContact O-CB 3.27Å; Y101-F105 WeakPolarHBondContact O-CD2 3.18Å; Y101-F105 PolarHBondContact O-N 3.42Å; D102-F105 PolarHBondContact O-N 2.78Å
106	S	94.3	Very high	95.4	Very high	20 Å²	20	63.3 Å²	63.3	14%	0.14	32%	0.321	C	S	.	.	S	Bend	trans	-73.1	141.3	-178.4	-74.2	0	0	0	0	111.5	D102	D102-S106 WeakPolarHBondContact CA-OG 3.24Å; D102-S106 WeakPolarHBondContact O-CB 3.35Å; D102-S106 PolarHBondContact O-N 2.63Å; D102-S106 PolarHBondContact OD1-OG 3.26Å
107	P	94	Very high	95.1	Very high	76 Å²	76	71.4 Å²	71.4	49%	0.494	36%	0.356	S	S	.	.			trans	-61.9	150.2	179.1	25.4	-33.2	0	0	0	110.7	I115 F116	P107-I115 WeakPolarHBondContact O-CA 3.36Å; P107-F116 HydrophobicContact CB-CD2 4.14Å; P107-F116 HydrophobicContact CG-CD2 4.11Å; P107-F116 WeakPolarHBondContact O-CD2 3.19Å; P107-F116 PolarHBondContact O-N 3.11Å
108	R	96	Very high	94.6	Very high	96 Å²	96	76.2 Å²	76.2	36%	0.362	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-116.6	143.7	-177.3	-71	173.4	172.5	80.3	-7	110.9	E103 D110 K113 K114 I115 F116	E103-R108 PolarHBondContact O-NH1 3.23Å; E103-R108 PolarHBondContact O-NH2 3.5Å; E103-R108 IonicContact OE1-CZ 3.53Å; E103-R108 IonicContact OE1-NH2 3.99Å; E103-R108 PolarHBondContact OE1-NH2 2.96Å; R108-D110 PolarHBondContact O-N 2.95Å; R108-K113 VanDerWaalsContact CD-O 3.27Å; R108-K113 WeakPolarHBondContact CD-O 3.33Å; R108-K113 WeakPolarHBondContact CG-O 3.45Å; R108-K114 WeakPolarHBondContact CA-O 3.18Å; R108-I115 HydrophobicContact CG-CG2 4.2Å; R108-F116 VanDerWaalsContact C-CE2 3.48Å
109	C	97	Very high	94.3	Very high	0 Å²	0	78 Å²	78	0%	0	43%	0.425	C	S	.	.			trans	-64.8	130.2	173	167.8	0	0	0	0	110.7	G111 K113 K114 F116 T129 H131 C134	C109-G111 PolarHBondContact O-N 3.35Å; C109-G111 PolarHBondContact SG-N 2.93Å; C109-K113 WeakPolarHBondContact O-CA 3.36Å; C109-K113 PolarHBondContact O-N 2.66Å; C109-K114 PolarHBondContact N-O 3.49Å; C109-F116 HydrophobicContact CB-CE1 4.28Å; C109-F116 HydrophobicContact CB-CE2 4.3Å; C109-F116 HydrophobicContact CB-CZ 3.84Å; C109-T129 CarbonylContact C-O 3.44Å; C109-T129 WeakPolarHBondContact CA-O 3.4Å; C109-H131 WeakPolarHBondContact CB-CE1 3.27Å; C109-H131 WeakPolarHBondContact CB-ND1 3.42Å; C109-H131 PolarHBondContact SG-N 2.95Å; C109-H131 VanDerWaalsContact SG-N 3.37Å; C109-H131 PolarHBondContact SG-ND1 3.31Å; C109-C134 VanDerWaalsContact SG-CB 3.51Å; C109-C134 VanDerWaalsContact SG-SG 3.64Å
110	D	95.2	Very high	94.1	Very high	59 Å²	59	74 Å²	74	32%	0.316	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.1	177.6	-77.7	-78.4	0	0	0	113.1	R108 K113 S128 T129 W130	R108-D110 PolarHBondContact O-N 2.95Å; D110-K113 WeakPolarHBondContact O-CE 3.22Å; D110-K113 PolarHBondContact O-NZ 3.08Å; D110-K113 IonicContact OD1-NZ 2.64Å; D110-S128 VanDerWaalsContact OD2-CA 3.27Å; D110-S128 WeakPolarHBondContact OD2-CA 3.19Å; D110-S128 WeakPolarHBondContact OD2-CB 3.44Å; D110-T129 PolarHBondContact N-O 2.94Å; D110-T129 PolarHBondContact OD2-N 3.19Å; D110-W130 HydrophobicContact CB-CD2 4.46Å; D110-W130 HydrophobicContact CB-CZ2 4.34Å
111	G	93.9	Very high	93.8	Very high	48 Å²	48	82.1 Å²	82.1	50%	0.495	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-51.4	177.5	0	0	0	0	0	114.3	C109 W130	C109-G111 PolarHBondContact O-N 3.35Å; C109-G111 PolarHBondContact SG-N 2.93Å; G111-W130 VanDerWaalsContact N-CD1 3.34Å
112	C	95.5	Very high	93.7	Very high	47 Å²	47	84 Å²	84	32%	0.318	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-4.2	-172.5	75.5	0	0	0	0	114.7	K114 H131	C112-K114 PolarHBondContact O-N 3.32Å; C112-K114 VanDerWaalsContact O-N 3.1Å; C112-K114 PolarHBondContact SG-N 3.26Å; C112-H131 PolarHBondContact SG-CE1 3.36Å; C112-H131 PolarHBondContact SG-ND1 3.2Å
113	K	95.7	Very high	93.8	Very high	132 Å²	132	83.1 Å²	83.1	57%	0.574	44%	0.441	S	S	*	.			trans	61.2	10.7	-178	-49.4	-50.7	-172.4	-166.6	0	115.6	R108 C109 D110	R108-K113 VanDerWaalsContact CD-O 3.27Å; R108-K113 WeakPolarHBondContact CD-O 3.33Å; R108-K113 WeakPolarHBondContact CG-O 3.45Å; C109-K113 WeakPolarHBondContact O-CA 3.36Å; C109-K113 PolarHBondContact O-N 2.66Å; D110-K113 WeakPolarHBondContact O-CE 3.22Å; D110-K113 PolarHBondContact O-NZ 3.08Å; D110-K113 IonicContact OD1-NZ 2.64Å
114	K	95.9	Very high	93.8	Very high	147 Å²	147	84 Å²	84	64%	0.639	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-87.8	154.1	174.2	-58.7	176.9	-178.1	177.3	0	111.3	R108 C109 C112 H131	R108-K114 WeakPolarHBondContact CA-O 3.18Å; C109-K114 PolarHBondContact N-O 3.49Å; C112-K114 PolarHBondContact O-N 3.32Å; C112-K114 VanDerWaalsContact O-N 3.1Å; C112-K114 PolarHBondContact SG-N 3.26Å; K114-H131 PolarHBondContact O-CE1 3.33Å
115	I	94.6	Very high	93.7	Very high	50 Å²	50	81.7 Å²	81.7	26%	0.256	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-63.2	152.4	178	61.4	171.3	0	0	0	112.4	D102 P107 R108 H131	D102-I115 HydrophobicContact CB-CD1 4.05Å; P107-I115 WeakPolarHBondContact O-CA 3.36Å; R108-I115 HydrophobicContact CG-CG2 4.2Å; I115-H131 PolarHBondContact O-NE2 3.32Å; I115-H131 VanDerWaalsContact O-NE2 3.08Å
116	F	95	Very high	93.6	Very high	21 Å²	21	87.5 Å²	87.5	9%	0.092	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-79.5	129.2	167.5	-68.1	-80.7	0	0	0	110.3	P107 R108 C109 K122 T129 H131	P107-F116 HydrophobicContact CB-CD2 4.14Å; P107-F116 HydrophobicContact CG-CD2 4.11Å; P107-F116 WeakPolarHBondContact O-CD2 3.19Å; P107-F116 PolarHBondContact O-N 3.11Å; R108-F116 VanDerWaalsContact C-CE2 3.48Å; C109-F116 HydrophobicContact CB-CE1 4.28Å; C109-F116 HydrophobicContact CB-CE2 4.3Å; C109-F116 HydrophobicContact CB-CZ 3.84Å; F116-K122 HydrophobicContact CD1-CB 3.94Å; F116-K122 HydrophobicContact CE1-CB 3.53Å; F116-K122 HydrophobicContact CZ-CB 4.09Å; F116-T129 WeakPolarHBondContact CE2-OG1 3.27Å; F116-H131 AromaticContact CD1-CD2 3.44Å; F116-H131 VanDerWaalsContact CD1-CD2 3.44Å; F116-H131 WeakPolarHBondContact CD1-CD2 3.31Å; F116-H131 AromaticContact CD1-NE2 3.7Å; F116-H131 AromaticContact CE1-CD2 3.57Å; F116-H131 AromaticContact CE1-NE2 3.99Å
117	K	90.7	Very high	93.5	Very high	172 Å²	172	89.5 Å²	89.5	75%	0.748	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-68.6	146.5	172.9	-65.8	-177	179.9	179.4	0	109.8	G119 S120	K117-G119 PolarHBondContact O-N 3.22Å; K117-S120 PolarHBondContact N-OG 2.99Å; K117-S120 VanDerWaalsContact O-CB 3.27Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.74Å; K117-S120 PolarHBondContact O-OG 2.84Å
118	A	87.2	Confident	93.5	Very high	112 Å²	112	87.7 Å²	87.7	93%	0.926	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	131.1	174.9	0	0	0	0	0	111.1	S120	A118-S120 PolarHBondContact O-N 2.78Å
119	G	89.4	Confident	93.5	Very high	89 Å²	89	84.1 Å²	84.1	92%	0.918	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	0.2	-178	0	0	0	0	0	115.8	K117	K117-G119 PolarHBondContact O-N 3.22Å
120	S	90.7	Very high	93.5	Very high	50 Å²	50	86.3 Å²	86.3	35%	0.35	47%	0.469	S	S	.	.			trans	-68.5	141.9	174.7	61.6	0	0	0	0	111.4	K117 A118	K117-S120 PolarHBondContact N-OG 2.99Å; K117-S120 VanDerWaalsContact O-CB 3.27Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.74Å; K117-S120 PolarHBondContact O-OG 2.84Å; A118-S120 PolarHBondContact O-N 2.78Å
121	R	91.4	Very high	93.6	Very high	191 Å²	191	84.4 Å²	84.4	72%	0.721	46%	0.458	S	S	*	.			trans	-71.3	142.7	170.9	-72.9	-178.2	177.7	-179.9	0.1	109.5	E132	R121-E132 HydrophobicContact CB-CG 3.94Å; R121-E132 WeakPolarHBondContact CB-OE1 3.36Å; R121-E132 WeakPolarHBondContact CD-OE1 3.27Å
122	K	94.8	Very high	93.6	Very high	109 Å²	109	85.3 Å²	85.3	47%	0.474	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147	175.3	63.2	179	-176.9	171.2	0	109.7	F116 W130	F116-K122 HydrophobicContact CD1-CB 3.94Å; F116-K122 HydrophobicContact CE1-CB 3.53Å; F116-K122 HydrophobicContact CZ-CB 4.09Å; K122-W130 WeakPolarHBondContact CA-O 3.49Å
123	Y	95.5	Very high	93.6	Very high	48 Å²	48	89.2 Å²	89.2	19%	0.188	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.1	169.9	-69.4	-73.8	0	0	0	109.5	T129 W130 E132 F135 G145 A146	Y123-T129 CarbonylContact O-C 3.5Å; Y123-T129 VanDerWaalsContact O-CA 3.25Å; Y123-T129 WeakPolarHBondContact O-CA 3.1Å; Y123-W130 PolarHBondContact N-O 2.76Å; Y123-W130 PolarHBondContact O-N 3.48Å; Y123-E132 HydrophobicContact CD2-CB 4.37Å; Y123-E132 HydrophobicContact CD2-CG 4.2Å; Y123-E132 HydrophobicContact CE2-CB 3.8Å; Y123-E132 HydrophobicContact CE2-CG 3.56Å; Y123-E132 PolarHBondContact OH-OE1 3.26Å; Y123-F135 HydrophobicContact CD1-CD1 4.43Å; Y123-F135 HydrophobicContact CD2-CB 3.86Å; Y123-F135 HydrophobicContact CD2-CD1 4.19Å; Y123-F135 HydrophobicContact CD2-CG 4.27Å; Y123-F135 HydrophobicContact CG-CB 4.19Å; Y123-F135 AromaticContact CG-CD1 3.91Å; Y123-F135 HydrophobicContact CG-CD1 3.91Å; Y123-F135 HydrophobicContact CG-CG 4.13Å; Y123-G145 VanDerWaalsContact CE1-O 3.27Å; Y123-G145 WeakPolarHBondContact CE1-O 3.31Å; Y123-G145 WeakPolarHBondContact OH-CA 3.25Å; Y123-A146 HydrophobicContact CE1-CB 4.4Å; Y123-A146 PolarHBondContact OH-N 2.82Å
124	E	93.8	Very high	93.6	Very high	132 Å²	132	84.4 Å²	84.4	62%	0.617	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.4	-179.9	-172.7	177.3	149.4	0	0	110.1	S128 T129	E124-S128 VanDerWaalsContact CA-O 3.31Å; E124-S128 WeakPolarHBondContact CA-O 3.12Å; E124-T129 HydrophobicContact CB-CG2 4.26Å; E124-T129 HydrophobicContact CG-CG2 4Å
125	Y	92.4	Very high	93.6	Very high	62 Å²	62	77.7 Å²	77.7	24%	0.243	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	126.8	176.1	176.8	-112	0	0	0	109.6	G127 S128 F149 P151	Y125-G127 PolarHBondContact O-N 2.93Å; Y125-S128 PolarHBondContact N-O 3.49Å; Y125-S128 PolarHBondContact O-N 3.44Å; Y125-S128 VanDerWaalsContact O-N 3.11Å; Y125-F149 HydrophobicContact CD1-CE2 4.38Å; Y125-F149 HydrophobicContact CD2-CE2 4.07Å; Y125-F149 AromaticContact CD2-CZ 3.87Å; Y125-F149 HydrophobicContact CD2-CZ 3.87Å; Y125-F149 HydrophobicContact CE1-CE2 4.43Å; Y125-F149 HydrophobicContact CE2-CE2 4.15Å; Y125-F149 HydrophobicContact CE2-CZ 4.31Å; Y125-F149 HydrophobicContact CG-CE2 4.2Å; Y125-F149 HydrophobicContact CG-CZ 4.09Å; Y125-P151 HydrophobicContact CE1-CB 4.37Å; Y125-P151 HydrophobicContact CE1-CG 4.26Å; Y125-P151 WeakPolarHBondContact OH-CB 3.37Å; Y125-P151 WeakPolarHBondContact OH-CG 3.16Å
126	K	91.9	Very high	93.7	Very high	176 Å²	176	77.2 Å²	77.2	77%	0.765	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.1	-178.4	-69.5	-174.6	168.8	-176.8	0	114.4	S128	K126-S128 PolarHBondContact O-N 3.1Å
127	G	92.4	Very high	93.8	Very high	62 Å²	62	76.2 Å²	76.2	64%	0.639	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-6.6	177.8	0	0	0	0	0	114.9	Y125	Y125-G127 PolarHBondContact O-N 2.93Å
128	S	94.9	Very high	94	Very high	38 Å²	38	70.5 Å²	70.5	27%	0.266	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.7	169.9	-72.4	0	0	0	0	110.6	D110 E124 Y125 K126 W130	D110-S128 VanDerWaalsContact OD2-CA 3.27Å; D110-S128 WeakPolarHBondContact OD2-CA 3.19Å; D110-S128 WeakPolarHBondContact OD2-CB 3.44Å; E124-S128 VanDerWaalsContact CA-O 3.31Å; E124-S128 WeakPolarHBondContact CA-O 3.12Å; Y125-S128 PolarHBondContact N-O 3.49Å; Y125-S128 PolarHBondContact O-N 3.44Å; Y125-S128 VanDerWaalsContact O-N 3.11Å; K126-S128 PolarHBondContact O-N 3.1Å; S128-W130 VanDerWaalsContact C-CZ3 3.42Å; S128-W130 VanDerWaalsContact CB-CZ2 3.48Å; S128-W130 WeakPolarHBondContact O-CZ3 3.49Å
129	T	96.2	Very high	94.4	Very high	21 Å²	21	68.1 Å²	68.1	13%	0.129	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.7	-177	58.9	0	0	0	0	111.2	C109 D110 F116 Y123 E124	C109-T129 CarbonylContact C-O 3.44Å; C109-T129 WeakPolarHBondContact CA-O 3.4Å; D110-T129 PolarHBondContact N-O 2.94Å; D110-T129 PolarHBondContact OD2-N 3.19Å; F116-T129 WeakPolarHBondContact CE2-OG1 3.27Å; Y123-T129 CarbonylContact O-C 3.5Å; Y123-T129 VanDerWaalsContact O-CA 3.25Å; Y123-T129 WeakPolarHBondContact O-CA 3.1Å; E124-T129 HydrophobicContact CB-CG2 4.26Å; E124-T129 HydrophobicContact CG-CG2 4Å
130	W	96.6	Very high	94.7	Very high	47 Å²	47	66.2 Å²	66.2	18%	0.178	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.5	-178	-63	-97.8	0	0	0	111.8	D110 G111 K122 Y123 S128 C134 F135	D110-W130 HydrophobicContact CB-CD2 4.46Å; D110-W130 HydrophobicContact CB-CZ2 4.34Å; G111-W130 VanDerWaalsContact N-CD1 3.34Å; K122-W130 WeakPolarHBondContact CA-O 3.49Å; Y123-W130 PolarHBondContact N-O 2.76Å; Y123-W130 PolarHBondContact O-N 3.48Å; S128-W130 VanDerWaalsContact C-CZ3 3.42Å; S128-W130 VanDerWaalsContact CB-CZ2 3.48Å; S128-W130 WeakPolarHBondContact O-CZ3 3.49Å; W130-C134 HydrophobicContact CB-CB 4.14Å; W130-F135 HydrophobicContact CB-CB 3.96Å; W130-F135 HydrophobicContact CB-CD2 4.3Å; W130-F135 AromaticContact CD2-CD2 3.99Å; W130-F135 HydrophobicContact CD2-CD2 3.99Å; W130-F135 AromaticContact CE3-CD2 3.87Å; W130-F135 HydrophobicContact CE3-CD2 3.87Å; W130-F135 HydrophobicContact CE3-CE2 4.16Å; W130-F135 HydrophobicContact CG-CD2 4.21Å; W130-F135 HydrophobicContact CZ3-CD2 4.44Å; W130-F135 HydrophobicContact CZ3-CE2 4.28Å
131	H	96.7	Very high	95	Very high	18 Å²	18	70.3 Å²	70.3	8%	0.083	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	157	161.4	-57.1	115.1	0	0	0	110	C109 C112 K114 I115 F116 E133 C134 F135	C109-H131 WeakPolarHBondContact CB-CE1 3.27Å; C109-H131 WeakPolarHBondContact CB-ND1 3.42Å; C109-H131 PolarHBondContact SG-N 2.95Å; C109-H131 VanDerWaalsContact SG-N 3.37Å; C109-H131 PolarHBondContact SG-ND1 3.31Å; C112-H131 PolarHBondContact SG-CE1 3.36Å; C112-H131 PolarHBondContact SG-ND1 3.2Å; K114-H131 PolarHBondContact O-CE1 3.33Å; I115-H131 PolarHBondContact O-NE2 3.32Å; I115-H131 VanDerWaalsContact O-NE2 3.08Å; F116-H131 AromaticContact CD1-CD2 3.44Å; F116-H131 VanDerWaalsContact CD1-CD2 3.44Å; F116-H131 WeakPolarHBondContact CD1-CD2 3.31Å; F116-H131 AromaticContact CD1-NE2 3.7Å; F116-H131 AromaticContact CE1-CD2 3.57Å; F116-H131 AromaticContact CE1-NE2 3.99Å; H131-E133 VanDerWaalsContact C-N 3.26Å; H131-E133 HydrophobicContact CB-CG 4.12Å; H131-E133 WeakPolarHBondContact CB-OE2 3.43Å; H131-E133 PolarHBondContact O-N 3.32Å; H131-C134 HydrophobicContact CB-CB 4.03Å; H131-C134 CarbonylContact O-C 3.59Å; H131-C134 WeakPolarHBondContact O-CA 3.32Å; H131-C134 PolarHBondContact O-N 3.37Å; H131-F135 PolarHBondContact O-N 3.33Å
132	E	94.2	Very high	95.2	Very high	67 Å²	67	67.2 Å²	67.2	31%	0.313	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-42.9	177.8	-56.6	-157	133.5	0	0	111.7	R121 Y123 C134 F135	R121-E132 HydrophobicContact CB-CG 3.94Å; R121-E132 WeakPolarHBondContact CB-OE1 3.36Å; R121-E132 WeakPolarHBondContact CD-OE1 3.27Å; Y123-E132 HydrophobicContact CD2-CB 4.37Å; Y123-E132 HydrophobicContact CD2-CG 4.2Å; Y123-E132 HydrophobicContact CE2-CB 3.8Å; Y123-E132 HydrophobicContact CE2-CG 3.56Å; Y123-E132 PolarHBondContact OH-OE1 3.26Å; E132-C134 PolarHBondContact O-N 3.36Å; E132-F135 PolarHBondContact O-N 3.3Å
133	E	94.7	Very high	95.2	Very high	130 Å²	130	65.2 Å²	65.2	61%	0.607	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.5	176.1	64.7	-91.7	-147.1	0	0	114	H131 T136	H131-E133 VanDerWaalsContact C-N 3.26Å; H131-E133 HydrophobicContact CB-CG 4.12Å; H131-E133 WeakPolarHBondContact CB-OE2 3.43Å; H131-E133 PolarHBondContact O-N 3.32Å; E133-T136 WeakPolarHBondContact O-CG2 3Å
134	C	95.9	Very high	95.3	Very high	31 Å²	31	63.2 Å²	63.2	21%	0.209	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.5	177.6	-69.4	0	0	0	0	112.2	C109 W130 H131 E132 T136	C109-C134 VanDerWaalsContact SG-CB 3.51Å; C109-C134 VanDerWaalsContact SG-SG 3.64Å; W130-C134 HydrophobicContact CB-CB 4.14Å; H131-C134 HydrophobicContact CB-CB 4.03Å; H131-C134 CarbonylContact O-C 3.59Å; H131-C134 WeakPolarHBondContact O-CA 3.32Å; H131-C134 PolarHBondContact O-N 3.37Å; E132-C134 PolarHBondContact O-N 3.36Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.82Å
135	F	96.6	Very high	95.1	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.026	31%	0.305	C	S	.	.	S	Bend	trans	-82.1	72.9	175.7	-163.1	-112.8	0	0	0	110.8	Y123 W130 H131 E132 I144 F149 V156	Y123-F135 HydrophobicContact CD1-CD1 4.43Å; Y123-F135 HydrophobicContact CD2-CB 3.86Å; Y123-F135 HydrophobicContact CD2-CD1 4.19Å; Y123-F135 HydrophobicContact CD2-CG 4.27Å; Y123-F135 HydrophobicContact CG-CB 4.19Å; Y123-F135 AromaticContact CG-CD1 3.91Å; Y123-F135 HydrophobicContact CG-CD1 3.91Å; Y123-F135 HydrophobicContact CG-CG 4.13Å; W130-F135 HydrophobicContact CB-CB 3.96Å; W130-F135 HydrophobicContact CB-CD2 4.3Å; W130-F135 AromaticContact CD2-CD2 3.99Å; W130-F135 HydrophobicContact CD2-CD2 3.99Å; W130-F135 AromaticContact CE3-CD2 3.87Å; W130-F135 HydrophobicContact CE3-CD2 3.87Å; W130-F135 HydrophobicContact CE3-CE2 4.16Å; W130-F135 HydrophobicContact CG-CD2 4.21Å; W130-F135 HydrophobicContact CZ3-CD2 4.44Å; W130-F135 HydrophobicContact CZ3-CE2 4.28Å; H131-F135 PolarHBondContact O-N 3.33Å; E132-F135 PolarHBondContact O-N 3.3Å; F135-I144 HydrophobicContact CD1-CB 3.94Å; F135-I144 HydrophobicContact CD1-CG2 4.31Å; F135-I144 HydrophobicContact CE1-CB 4.02Å; F135-I144 HydrophobicContact CE1-CD1 4.33Å; F135-I144 HydrophobicContact CE1-CG2 3.95Å; F135-I144 PolarHBondContact O-N 2.86Å; F135-F149 AromaticContact CE1-CD1 3.9Å; F135-F149 HydrophobicContact CE1-CD1 3.9Å; F135-F149 AromaticContact CE1-CE1 3.89Å; F135-F149 HydrophobicContact CE1-CE1 3.89Å; F135-F149 HydrophobicContact CE1-CZ 4.47Å; F135-F149 AromaticContact CZ-CD1 3.94Å; F135-F149 HydrophobicContact CZ-CD1 3.94Å; F135-F149 HydrophobicContact CZ-CD2 4.4Å; F135-F149 AromaticContact CZ-CE1 3.68Å; F135-F149 HydrophobicContact CZ-CE1 3.68Å; F135-F149 HydrophobicContact CZ-CE2 4.16Å; F135-F149 HydrophobicContact CZ-CG 4.3Å; F135-F149 AromaticContact CZ-CZ 3.79Å; F135-F149 HydrophobicContact CZ-CZ 3.79Å; F135-V156 HydrophobicContact CD2-CG2 4.35Å; F135-V156 HydrophobicContact CE2-CG1 4.14Å; F135-V156 HydrophobicContact CE2-CG2 3.87Å; F135-V156 HydrophobicContact CZ-CB 4.47Å; F135-V156 HydrophobicContact CZ-CG1 4.1Å; F135-V156 HydrophobicContact CZ-CG2 3.99Å
136	T	96.8	Very high	95.1	Very high	39 Å²	39	59.5 Å²	59.5	24%	0.239	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-113.2	151	-170.4	59.5	0	0	0	0	112.4	E133 C134 I138 K141 Q142 P143	E133-T136 WeakPolarHBondContact O-CG2 3Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.82Å; T136-I138 PolarHBondContact O-N 3.43Å; T136-K141 WeakPolarHBondContact CB-O 3.44Å; T136-K141 WeakPolarHBondContact CG2-O 3.48Å; T136-Q142 VanDerWaalsContact CA-O 3.31Å; T136-Q142 WeakPolarHBondContact CA-O 3.49Å; T136-P143 HydrophobicContact CG2-CG 4.32Å
137	C	96.7	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.329	C	S	.	.			trans	-64.7	128	173.4	176	0	0	0	0	110.5	E139 C140 K141 Q142 I144 V156 C158	C137-E139 PolarHBondContact O-N 2.99Å; C137-E139 VanDerWaalsContact O-N 3.14Å; C137-E139 PolarHBondContact SG-N 2.92Å; C137-E139 VanDerWaalsContact SG-N 3.43Å; C137-C140 WeakPolarHBondContact CB-SG 3.38Å; C137-C140 VanDerWaalsContact SG-SG 3.69Å; C137-K141 WeakPolarHBondContact O-CA 3.31Å; C137-K141 PolarHBondContact O-N 3.33Å; C137-Q142 PolarHBondContact N-O 2.92Å; C137-I144 HydrophobicContact CB-CD1 4.33Å; C137-I144 HydrophobicContact CB-CG1 4.2Å; C137-V156 CarbonylContact C-O 3.52Å; C137-V156 WeakPolarHBondContact CA-O 3.49Å; C137-C158 HydrophobicContact CB-CB 4.02Å; C137-C158 PolarHBondContact SG-N 2.83Å
138	I	95.5	Very high	95.3	Very high	53 Å²	53	60.1 Å²	60.1	27%	0.272	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	178.6	61.9	172.8	0	0	0	112.9	T136 K141 K152 V156 V157	T136-I138 PolarHBondContact O-N 3.43Å; I138-K141 WeakPolarHBondContact O-CE 3.13Å; I138-K141 PolarHBondContact O-NZ 2.93Å; I138-K152 HydrophobicContact CD1-CB 4.19Å; I138-K152 HydrophobicContact CD1-CG 4.35Å; I138-V156 PolarHBondContact N-O 3.43Å; I138-V157 HydrophobicContact CD1-CG2 3.64Å; I138-V157 HydrophobicContact CG1-CG2 3.51Å
139	E	95.4	Very high	95.3	Very high	61 Å²	61	61.2 Å²	61.2	29%	0.285	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-56.3	-178.9	-61.5	-61.7	164.3	0	0	112.8	C137 V157 C161 K165 Y166	C137-E139 PolarHBondContact O-N 2.99Å; C137-E139 VanDerWaalsContact O-N 3.14Å; C137-E139 PolarHBondContact SG-N 2.92Å; C137-E139 VanDerWaalsContact SG-N 3.43Å; E139-V157 HydrophobicContact CG-CG1 3.78Å; E139-V157 HydrophobicContact CG-CG2 4.27Å; E139-C161 HydrophobicContact CB-CB 3.78Å; E139-C161 HydrophobicContact CG-CB 4.12Å; E139-K165 VanDerWaalsContact CD-CD 3.43Å; E139-K165 HydrophobicContact CG-CD 4.25Å; E139-K165 WeakPolarHBondContact OE1-CD 3.44Å; E139-K165 IonicContact OE1-NZ 2.67Å; E139-K165 PolarHBondContact OE1-NZ 3.47Å; E139-K165 WeakPolarHBondContact OE2-CD 3.49Å; E139-K165 IonicContact OE2-NZ 2.7Å; E139-K165 PolarHBondContact OE2-NZ 2.94Å; E139-Y166 PolarHBondContact OE1-OH 2.57Å
140	C	96.1	Very high	95.2	Very high	49 Å²	49	62 Å²	62	33%	0.331	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.9	-174.5	68.3	0	0	0	0	114.8	C137 Q142	C137-C140 WeakPolarHBondContact CB-SG 3.38Å; C137-C140 VanDerWaalsContact SG-SG 3.69Å; C140-Q142 HydrophobicContact CB-CG 4.44Å; C140-Q142 PolarHBondContact O-N 3.43Å
141	K	95.9	Very high	95.1	Very high	137 Å²	137	62.8 Å²	62.8	60%	0.596	35%	0.345	S	S	*	.			trans	59.4	6.2	-177.4	-50.2	-53.5	-174.2	-168.2	0	115.5	T136 C137 I138	T136-K141 WeakPolarHBondContact CB-O 3.44Å; T136-K141 WeakPolarHBondContact CG2-O 3.48Å; C137-K141 WeakPolarHBondContact O-CA 3.31Å; C137-K141 PolarHBondContact O-N 3.33Å; I138-K141 WeakPolarHBondContact O-CE 3.13Å; I138-K141 PolarHBondContact O-NZ 2.93Å
142	Q	96.5	Very high	94.9	Very high	126 Å²	126	65.1 Å²	65.1	59%	0.589	36%	0.355	S	S	*	.			trans	-76.4	143.2	176.4	-63.7	-58.6	-49.9	0	0	111.1	T136 C137 C140 I144	T136-Q142 VanDerWaalsContact CA-O 3.31Å; T136-Q142 WeakPolarHBondContact CA-O 3.49Å; C137-Q142 PolarHBondContact N-O 2.92Å; C140-Q142 HydrophobicContact CB-CG 4.44Å; C140-Q142 PolarHBondContact O-N 3.43Å; Q142-I144 PolarHBondContact O-N 2.82Å
143	P	95.3	Very high	94.5	Very high	67 Å²	67	68.5 Å²	68.5	44%	0.435	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-54.9	128.5	169.4	-25.6	35.2	0	0	0	111	T136	T136-P143 HydrophobicContact CG2-CG 4.32Å
144	I	96.1	Very high	94.1	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.031	39%	0.392	C	S	.	.			trans	-75.8	-38.7	176.8	-70.1	167.1	0	0	0	109.6	F135 C137 Q142 K147 F149 V156 C158	F135-I144 HydrophobicContact CD1-CB 3.94Å; F135-I144 HydrophobicContact CD1-CG2 4.31Å; F135-I144 HydrophobicContact CE1-CB 4.02Å; F135-I144 HydrophobicContact CE1-CD1 4.33Å; F135-I144 HydrophobicContact CE1-CG2 3.95Å; F135-I144 PolarHBondContact O-N 2.86Å; C137-I144 HydrophobicContact CB-CD1 4.33Å; C137-I144 HydrophobicContact CB-CG1 4.2Å; Q142-I144 PolarHBondContact O-N 2.82Å; I144-K147 HydrophobicContact CG2-CB 4.34Å; I144-K147 WeakPolarHBondContact CG2-O 3.45Å; I144-K147 VanDerWaalsContact O-CB 3.31Å; I144-K147 WeakPolarHBondContact O-CB 3.36Å; I144-K147 WeakPolarHBondContact O-CG 3.33Å; I144-K147 PolarHBondContact O-N 2.88Å; I144-F149 HydrophobicContact CD1-CB 3.93Å; I144-F149 HydrophobicContact CG2-CB 3.99Å; I144-F149 HydrophobicContact CG2-CD1 4.08Å; I144-F149 HydrophobicContact CG2-CG 4.44Å; I144-V156 HydrophobicContact CD1-CB 3.86Å; I144-V156 HydrophobicContact CD1-CG2 3.36Å; I144-C158 HydrophobicContact CG1-CB 4.18Å
145	G	91.5	Very high	93.9	Very high	16 Å²	16	70.4 Å²	70.4	17%	0.165	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	-142	-174.9	0	0	0	0	0	111.6	Y123 K147	Y123-G145 VanDerWaalsContact CE1-O 3.27Å; Y123-G145 WeakPolarHBondContact CE1-O 3.31Å; Y123-G145 WeakPolarHBondContact OH-CA 3.25Å; G145-K147 PolarHBondContact O-N 3.43Å
146	A	91.1	Very high	93.9	Very high	99 Å²	99	70.6 Å²	70.6	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	6.4	176	0	0	0	0	0	114.4	Y123	Y123-A146 HydrophobicContact CE1-CB 4.4Å; Y123-A146 PolarHBondContact OH-N 2.82Å
147	K	93.4	Very high	93.9	Very high	159 Å²	159	68.8 Å²	68.8	69%	0.691	38%	0.383	S	S	*	.	S	Bend	trans	-75.2	156.8	-179.8	-60.1	173.5	-174.3	169.8	0	110.6	I144 G145	I144-K147 HydrophobicContact CG2-CB 4.34Å; I144-K147 WeakPolarHBondContact CG2-O 3.45Å; I144-K147 VanDerWaalsContact O-CB 3.31Å; I144-K147 WeakPolarHBondContact O-CB 3.36Å; I144-K147 WeakPolarHBondContact O-CG 3.33Å; I144-K147 PolarHBondContact O-N 2.88Å; G145-K147 PolarHBondContact O-N 3.43Å
148	S	94.7	Very high	93.8	Very high	93 Å²	93	69.8 Å²	69.8	65%	0.65	39%	0.39	S	S	*	.			trans	-59.3	147.5	172	-56.5	0	0	0	0	112
149	F	95.8	Very high	93.8	Very high	61 Å²	61	69.4 Å²	69.4	27%	0.268	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.5	178	60.4	-91.4	0	0	0	110.8	Y125 F135 I144 P151 V156 V157	Y125-F149 HydrophobicContact CD1-CE2 4.38Å; Y125-F149 HydrophobicContact CD2-CE2 4.07Å; Y125-F149 AromaticContact CD2-CZ 3.87Å; Y125-F149 HydrophobicContact CD2-CZ 3.87Å; Y125-F149 HydrophobicContact CE1-CE2 4.43Å; Y125-F149 HydrophobicContact CE2-CE2 4.15Å; Y125-F149 HydrophobicContact CE2-CZ 4.31Å; Y125-F149 HydrophobicContact CG-CE2 4.2Å; Y125-F149 HydrophobicContact CG-CZ 4.09Å; F135-F149 AromaticContact CE1-CD1 3.9Å; F135-F149 HydrophobicContact CE1-CD1 3.9Å; F135-F149 AromaticContact CE1-CE1 3.89Å; F135-F149 HydrophobicContact CE1-CE1 3.89Å; F135-F149 HydrophobicContact CE1-CZ 4.47Å; F135-F149 AromaticContact CZ-CD1 3.94Å; F135-F149 HydrophobicContact CZ-CD1 3.94Å; F135-F149 HydrophobicContact CZ-CD2 4.4Å; F135-F149 AromaticContact CZ-CE1 3.68Å; F135-F149 HydrophobicContact CZ-CE1 3.68Å; F135-F149 HydrophobicContact CZ-CE2 4.16Å; F135-F149 HydrophobicContact CZ-CG 4.3Å; F135-F149 AromaticContact CZ-CZ 3.79Å; F135-F149 HydrophobicContact CZ-CZ 3.79Å; I144-F149 HydrophobicContact CD1-CB 3.93Å; I144-F149 HydrophobicContact CG2-CB 3.99Å; I144-F149 HydrophobicContact CG2-CD1 4.08Å; I144-F149 HydrophobicContact CG2-CG 4.44Å; F149-P151 HydrophobicContact CE2-CG 4.44Å; F149-V156 HydrophobicContact CB-CB 4.39Å; F149-V156 HydrophobicContact CD2-CB 3.86Å; F149-V156 HydrophobicContact CD2-CG1 3.43Å; F149-V156 VanDerWaalsContact CD2-CG1 3.43Å; F149-V156 HydrophobicContact CE2-CG1 3.64Å; F149-V156 HydrophobicContact CG-CB 4.33Å; F149-V156 HydrophobicContact CG-CG1 4.29Å; F149-V157 CarbonylContact C-O 3.5Å; F149-V157 WeakPolarHBondContact CA-O 3.49Å
150	V	95	Very high	93.7	Very high	37 Å²	37	70.6 Å²	70.6	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.7	175.5	-174	0	0	0	0	108.6	K152 V157 Y162	V150-K152 PolarHBondContact O-N 3.14Å; V150-V157 PolarHBondContact N-O 2.86Å; V150-V157 PolarHBondContact O-N 3.14Å; V150-Y162 HydrophobicContact CB-CD2 3.7Å; V150-Y162 HydrophobicContact CB-CE2 4.11Å; V150-Y162 HydrophobicContact CB-CG 3.92Å; V150-Y162 HydrophobicContact CG1-CD2 3.65Å; V150-Y162 HydrophobicContact CG1-CE1 4.47Å; V150-Y162 HydrophobicContact CG1-CE2 3.51Å; V150-Y162 HydrophobicContact CG1-CG 4.21Å; V150-Y162 HydrophobicContact CG2-CD1 3.88Å; V150-Y162 HydrophobicContact CG2-CD2 3.98Å; V150-Y162 HydrophobicContact CG2-CE1 4.35Å; V150-Y162 HydrophobicContact CG2-CE2 4.45Å; V150-Y162 HydrophobicContact CG2-CG 3.67Å
151	P	94.3	Very high	93.6	Very high	63 Å²	63	69.5 Å²	69.5	41%	0.409	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.4	173	-19.9	32.1	0	0	0	110.5	Y125 F149	Y125-P151 HydrophobicContact CE1-CB 4.37Å; Y125-P151 HydrophobicContact CE1-CG 4.26Å; Y125-P151 WeakPolarHBondContact OH-CB 3.37Å; Y125-P151 WeakPolarHBondContact OH-CG 3.16Å; F149-P151 HydrophobicContact CE2-CG 4.44Å
152	K	91.5	Very high	93.5	Very high	67 Å²	67	67 Å²	67	29%	0.291	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	125	178.7	-168.4	76.6	-174.2	-170	0	109.4	I138 V150 D154 G155 V157	I138-K152 HydrophobicContact CD1-CB 4.19Å; I138-K152 HydrophobicContact CD1-CG 4.35Å; V150-K152 PolarHBondContact O-N 3.14Å; K152-D154 PolarHBondContact O-N 2.9Å; K152-G155 PolarHBondContact N-O 3.42Å; K152-G155 CarbonylContact O-C 3.48Å; K152-G155 WeakPolarHBondContact O-CA 3.17Å; K152-G155 PolarHBondContact O-N 3.16Å; K152-V157 HydrophobicContact CB-CG2 3.67Å; K152-V157 HydrophobicContact CG-CG2 4.24Å
153	D	86.3	Confident	93.2	Very high	138 Å²	138	65.7 Å²	65.7	74%	0.738	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-128.9	-176.7	-48.3	-39.5	0	0	0	110.1	G155	D153-G155 VanDerWaalsContact C-N 3.29Å; D153-G155 PolarHBondContact O-N 3.23Å
154	D	86.4	Confident	92.9	Very high	180 Å²	180	69.5 Å²	69.5	96%	0.963	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	20.2	177.1	-61.5	-46.4	0	0	0	113.7	K152	K152-D154 PolarHBondContact O-N 2.9Å
155	G	91.9	Very high	92.5	Very high	22 Å²	22	74.8 Å²	74.8	23%	0.227	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	-162.1	-176.3	0	0	0	0	0	114.8	K152 D153	K152-G155 PolarHBondContact N-O 3.42Å; K152-G155 CarbonylContact O-C 3.48Å; K152-G155 WeakPolarHBondContact O-CA 3.17Å; K152-G155 PolarHBondContact O-N 3.16Å; D153-G155 VanDerWaalsContact C-N 3.29Å; D153-G155 PolarHBondContact O-N 3.23Å
156	V	95.3	Very high	92.3	Very high	10 Å²	10	77.5 Å²	77.5	6%	0.061	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.8	-176.4	-70.2	0	0	0	0	110.3	F135 C137 I138 I144 F149	F135-V156 HydrophobicContact CD2-CG2 4.35Å; F135-V156 HydrophobicContact CE2-CG1 4.14Å; F135-V156 HydrophobicContact CE2-CG2 3.87Å; F135-V156 HydrophobicContact CZ-CB 4.47Å; F135-V156 HydrophobicContact CZ-CG1 4.1Å; F135-V156 HydrophobicContact CZ-CG2 3.99Å; C137-V156 CarbonylContact C-O 3.52Å; C137-V156 WeakPolarHBondContact CA-O 3.49Å; I138-V156 PolarHBondContact N-O 3.43Å; I144-V156 HydrophobicContact CD1-CB 3.86Å; I144-V156 HydrophobicContact CD1-CG2 3.36Å; F149-V156 HydrophobicContact CB-CB 4.39Å; F149-V156 HydrophobicContact CD2-CB 3.86Å; F149-V156 HydrophobicContact CD2-CG1 3.43Å; F149-V156 VanDerWaalsContact CD2-CG1 3.43Å; F149-V156 HydrophobicContact CE2-CG1 3.64Å; F149-V156 HydrophobicContact CG-CB 4.33Å; F149-V156 HydrophobicContact CG-CG1 4.29Å
157	V	96.6	Very high	92.1	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.8	176.3	-174.5	0	0	0	0	108	I138 E139 F149 V150 K152 C161 Y166	I138-V157 HydrophobicContact CD1-CG2 3.64Å; I138-V157 HydrophobicContact CG1-CG2 3.51Å; E139-V157 HydrophobicContact CG-CG1 3.78Å; E139-V157 HydrophobicContact CG-CG2 4.27Å; F149-V157 CarbonylContact C-O 3.5Å; F149-V157 WeakPolarHBondContact CA-O 3.49Å; V150-V157 PolarHBondContact N-O 2.86Å; V150-V157 PolarHBondContact O-N 3.14Å; K152-V157 HydrophobicContact CB-CG2 3.67Å; K152-V157 HydrophobicContact CG-CG2 4.24Å; V157-C161 HydrophobicContact CG1-CB 3.7Å; V157-Y166 HydrophobicContact CG1-CE2 4.42Å; V157-Y166 HydrophobicContact CG2-CE2 4.39Å
158	C	96.4	Very high	91.9	Very high	21 Å²	21	72.5 Å²	72.5	14%	0.142	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150	173.2	70	0	0	0	0	110.5	C137 I144 C161 Y162	C137-C158 HydrophobicContact CB-CB 4.02Å; C137-C158 PolarHBondContact SG-N 2.83Å; I144-C158 HydrophobicContact CG1-CB 4.18Å; C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact O-N 3.16Å; C158-C161 PolarHBondContact SG-SG 3.45Å; C158-Y162 PolarHBondContact O-N 2.98Å
159	V	94.2	Very high	91.7	Very high	46 Å²	46	72.7 Å²	72.7	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-51.6	-45.8	-177.4	172.6	0	0	0	0	113.3	C161 Y162 E163	V159-C161 PolarHBondContact O-N 3.34Å; V159-Y162 PolarHBondContact O-N 2.97Å; V159-Y162 VanDerWaalsContact O-N 3.14Å; V159-E163 HydrophobicContact CG1-CG 4.13Å; V159-E163 WeakPolarHBondContact CG1-OE1 3.42Å; V159-E163 WeakPolarHBondContact O-CB 2.96Å; V159-E163 WeakPolarHBondContact O-CG 3.38Å; V159-E163 PolarHBondContact O-N 3.44Å
160	P	93.4	Very high	91.7	Very high	86 Å²	86	69.8 Å²	69.8	56%	0.558	36%	0.359	S	S	*	.	H	α-helix	trans	-59.8	-45.8	178.7	-25.3	35.1	0	0	0	113.6	Y162 E163 E164	P160-Y162 VanDerWaalsContact C-N 3.3Å; P160-Y162 PolarHBondContact O-N 2.98Å; P160-E163 PolarHBondContact O-N 2.7Å; P160-E164 WeakPolarHBondContact O-CB 3.36Å; P160-E164 PolarHBondContact O-N 2.93Å
161	C	94.9	Very high	91.7	Very high	25 Å²	25	71.3 Å²	71.3	17%	0.169	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-36.3	176.5	-71.3	0	0	0	0	111.7	E139 V157 C158 V159 K165	E139-C161 HydrophobicContact CB-CB 3.78Å; E139-C161 HydrophobicContact CG-CB 4.12Å; V157-C161 HydrophobicContact CG1-CB 3.7Å; C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact O-N 3.16Å; C158-C161 PolarHBondContact SG-SG 3.45Å; V159-C161 PolarHBondContact O-N 3.34Å; C161-K165 VanDerWaalsContact O-CB 3.23Å; C161-K165 WeakPolarHBondContact O-CB 3.35Å; C161-K165 PolarHBondContact O-N 2.88Å
162	Y	93	Very high	91.7	Very high	84 Å²	84	74 Å²	74	33%	0.329	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-47.8	178.4	-177	-92.5	0	0	0	111	V150 C158 V159 P160 Y166	V150-Y162 HydrophobicContact CB-CD2 3.7Å; V150-Y162 HydrophobicContact CB-CE2 4.11Å; V150-Y162 HydrophobicContact CB-CG 3.92Å; V150-Y162 HydrophobicContact CG1-CD2 3.65Å; V150-Y162 HydrophobicContact CG1-CE1 4.47Å; V150-Y162 HydrophobicContact CG1-CE2 3.51Å; V150-Y162 HydrophobicContact CG1-CG 4.21Å; V150-Y162 HydrophobicContact CG2-CD1 3.88Å; V150-Y162 HydrophobicContact CG2-CD2 3.98Å; V150-Y162 HydrophobicContact CG2-CE1 4.35Å; V150-Y162 HydrophobicContact CG2-CE2 4.45Å; V150-Y162 HydrophobicContact CG2-CG 3.67Å; C158-Y162 PolarHBondContact O-N 2.98Å; V159-Y162 PolarHBondContact O-N 2.97Å; V159-Y162 VanDerWaalsContact O-N 3.14Å; P160-Y162 VanDerWaalsContact C-N 3.3Å; P160-Y162 PolarHBondContact O-N 2.98Å; Y162-Y166 AromaticContact CD2-CD2 3.37Å; Y162-Y166 HydrophobicContact CD2-CD2 3.37Å; Y162-Y166 AromaticContact CD2-CE2 3.94Å; Y162-Y166 HydrophobicContact CD2-CE2 3.94Å; Y162-Y166 HydrophobicContact CD2-CG 4.21Å; Y162-Y166 AromaticContact CE2-CD2 3.75Å; Y162-Y166 HydrophobicContact CE2-CD2 3.75Å; Y162-Y166 HydrophobicContact CE2-CE2 4.44Å; Y162-Y166 HydrophobicContact CE2-CG 4.17Å; Y162-Y166 AromaticContact CG-CD2 3.97Å; Y162-Y166 HydrophobicContact CG-CD2 3.97Å; Y162-Y166 WeakPolarHBondContact O-CA 3.45Å; Y162-Y166 WeakPolarHBondContact O-CB 3.23Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.4Å; Y162-Y166 PolarHBondContact O-N 2.64Å
163	E	89.9	Confident	91.9	Very high	99 Å²	99	73.2 Å²	73.2	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-45.2	176.4	-71.6	178.3	170.3	0	0	111.4	V159 P160 S167	V159-E163 HydrophobicContact CG1-CG 4.13Å; V159-E163 WeakPolarHBondContact CG1-OE1 3.42Å; V159-E163 WeakPolarHBondContact O-CB 2.96Å; V159-E163 WeakPolarHBondContact O-CG 3.38Å; V159-E163 PolarHBondContact O-N 3.44Å; P160-E163 PolarHBondContact O-N 2.7Å; E163-S167 WeakPolarHBondContact O-CB 3.1Å; E163-S167 PolarHBondContact O-N 3.15Å; E163-S167 VanDerWaalsContact O-N 3.11Å; E163-S167 PolarHBondContact O-OG 2.8Å
164	E	89.2	Confident	92.1	Very high	148 Å²	148	72.1 Å²	72.1	69%	0.692	37%	0.373	S	S	*	.	H	α-helix	trans	-69.1	-40.9	-177.5	-176.5	154.9	-161.1	0	0	113.2	P160	P160-E164 WeakPolarHBondContact O-CB 3.36Å; P160-E164 PolarHBondContact O-N 2.93Å
165	K	87.9	Confident	92.4	Very high	117 Å²	117	70.7 Å²	70.7	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-86.9	-32.6	-174.7	-165.7	173.8	-178.1	-177.6	0	113.5	E139 C161	E139-K165 VanDerWaalsContact CD-CD 3.43Å; E139-K165 HydrophobicContact CG-CD 4.25Å; E139-K165 WeakPolarHBondContact OE1-CD 3.44Å; E139-K165 IonicContact OE1-NZ 2.67Å; E139-K165 PolarHBondContact OE1-NZ 3.47Å; E139-K165 WeakPolarHBondContact OE2-CD 3.49Å; E139-K165 IonicContact OE2-NZ 2.7Å; E139-K165 PolarHBondContact OE2-NZ 2.94Å; C161-K165 VanDerWaalsContact O-CB 3.23Å; C161-K165 WeakPolarHBondContact O-CB 3.35Å; C161-K165 PolarHBondContact O-N 2.88Å
166	Y	86.6	Confident	92.2	Very high	72 Å²	72	71.3 Å²	71.3	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-118.5	-3.8	-171	-51.1	-73.8	0	0	0	114.9	E139 V157 Y162	E139-Y166 PolarHBondContact OE1-OH 2.57Å; V157-Y166 HydrophobicContact CG1-CE2 4.42Å; V157-Y166 HydrophobicContact CG2-CE2 4.39Å; Y162-Y166 AromaticContact CD2-CD2 3.37Å; Y162-Y166 HydrophobicContact CD2-CD2 3.37Å; Y162-Y166 AromaticContact CD2-CE2 3.94Å; Y162-Y166 HydrophobicContact CD2-CE2 3.94Å; Y162-Y166 HydrophobicContact CD2-CG 4.21Å; Y162-Y166 AromaticContact CE2-CD2 3.75Å; Y162-Y166 HydrophobicContact CE2-CD2 3.75Å; Y162-Y166 HydrophobicContact CE2-CE2 4.44Å; Y162-Y166 HydrophobicContact CE2-CG 4.17Å; Y162-Y166 AromaticContact CG-CD2 3.97Å; Y162-Y166 HydrophobicContact CG-CD2 3.97Å; Y162-Y166 WeakPolarHBondContact O-CA 3.45Å; Y162-Y166 WeakPolarHBondContact O-CB 3.23Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.4Å; Y162-Y166 PolarHBondContact O-N 2.64Å
167	S	86.4	Confident	92.1	Very high	30 Å²	30	71.9 Å²	71.9	21%	0.21	36%	0.363	C	S	.	.	S	Bend	trans	-65.7	145.7	170.9	64.3	0	0	0	0	111.5	E163 K169 A176	E163-S167 WeakPolarHBondContact O-CB 3.1Å; E163-S167 PolarHBondContact O-N 3.15Å; E163-S167 VanDerWaalsContact O-N 3.11Å; E163-S167 PolarHBondContact O-OG 2.8Å; S167-K169 PolarHBondContact O-N 2.87Å; S167-A176 WeakPolarHBondContact OG-CB 3.48Å
168	Q	89.6	Confident	91.3	Very high	123 Å²	123	80 Å²	80	58%	0.575	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-61.8	130.4	168.5	-69.6	-174.7	-27	0	0	109.4	I177 P188	Q168-I177 PolarHBondContact O-N 3.31Å; Q168-P188 HydrophobicContact CB-CB 4.1Å; Q168-P188 HydrophobicContact CB-CG 4.03Å
169	K	92.1	Very high	90.6	Very high	97 Å²	97	88.6 Å²	88.6	42%	0.422	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-100.2	131.9	179.1	-64.7	-176.8	-177.8	-177	0	110.2	S167 C171 K175 P188	S167-K169 PolarHBondContact O-N 2.87Å; K169-C171 PolarHBondContact O-N 2.92Å; K169-K175 WeakPolarHBondContact CA-O 3.06Å; K169-P188 WeakPolarHBondContact O-CG 3.44Å
170	C	95.2	Very high	90.2	Very high	1 Å²	1	88.6 Å²	88.6	1%	0.007	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-60	127.8	179.3	173.5	0	0	0	0	111.6	K172 C173 N174 K175 I177 P188 H190 C193	C170-K172 PolarHBondContact O-N 3.38Å; C170-K172 VanDerWaalsContact O-N 3.08Å; C170-K172 PolarHBondContact SG-N 2.93Å; C170-C173 PolarHBondContact O-N 3.11Å; C170-N174 VanDerWaalsContact O-CA 3.24Å; C170-N174 WeakPolarHBondContact O-CA 3.36Å; C170-N174 PolarHBondContact O-N 3.39Å; C170-K175 PolarHBondContact N-O 3.24Å; C170-I177 HydrophobicContact CB-CD1 4.07Å; C170-I177 HydrophobicContact CB-CG1 4Å; C170-P188 CarbonylContact C-O 3.52Å; C170-P188 WeakPolarHBondContact CA-O 3.47Å; C170-H190 WeakPolarHBondContact CB-CE1 3.32Å; C170-H190 WeakPolarHBondContact CB-ND1 3.4Å; C170-H190 PolarHBondContact SG-N 3.19Å; C170-H190 VanDerWaalsContact SG-N 3.39Å; C170-H190 PolarHBondContact SG-ND1 2.82Å; C170-H190 VanDerWaalsContact SG-ND1 3.37Å; C170-C193 WeakPolarHBondContact SG-CB 3.19Å; C170-C193 VanDerWaalsContact SG-SG 3.69Å
171	C	94.3	Very high	90.2	Very high	68 Å²	68	86 Å²	86	46%	0.459	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	179.9	-171.9	0	0	0	0	113.4	K169 Q187 P188 W189	K169-C171 PolarHBondContact O-N 2.92Å; C171-Q187 HydrophobicContact CB-CB 4.15Å; C171-P188 PolarHBondContact N-O 2.91Å; C171-W189 HydrophobicContact CB-CD2 4.02Å; C171-W189 HydrophobicContact CB-CE3 4.37Å; C171-W189 HydrophobicContact CB-CH2 4.01Å; C171-W189 HydrophobicContact CB-CZ2 3.65Å; C171-W189 HydrophobicContact CB-CZ3 4.38Å
172	K	94.6	Very high	90.2	Very high	119 Å²	119	86.3 Å²	86.3	52%	0.517	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-47.1	179.4	-168.4	172.6	178.1	178.6	0	113.8	C170 W189 C193	C170-K172 PolarHBondContact O-N 3.38Å; C170-K172 VanDerWaalsContact O-N 3.08Å; C170-K172 PolarHBondContact SG-N 2.93Å; K172-W189 HydrophobicContact CB-CE3 3.86Å; K172-W189 HydrophobicContact CB-CZ3 3.69Å; K172-W189 HydrophobicContact CG-CZ3 4.42Å; K172-C193 HydrophobicContact CB-CB 3.85Å; K172-C193 HydrophobicContact CD-CB 3.77Å; K172-C193 WeakPolarHBondContact CD-O 3.24Å; K172-C193 HydrophobicContact CG-CB 4.38Å
173	C	94.8	Very high	90.3	Very high	51 Å²	51	87 Å²	87	35%	0.345	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-3.9	-167.9	72.8	0	0	0	0	113.9	C170 K175 H190	C170-C173 PolarHBondContact O-N 3.11Å; C173-K175 PolarHBondContact O-N 3.39Å; C173-H190 PolarHBondContact SG-CE1 3.33Å; C173-H190 PolarHBondContact SG-ND1 2.86Å
174	N	92.3	Very high	90.5	Very high	116 Å²	116	84.2 Å²	84.2	62%	0.62	43%	0.434	S	S	*	.			trans	57.9	13.7	-178.4	-158.8	29.6	0	0	0	115.4	C170	C170-N174 VanDerWaalsContact O-CA 3.24Å; C170-N174 WeakPolarHBondContact O-CA 3.36Å; C170-N174 PolarHBondContact O-N 3.39Å
175	K	91.2	Very high	90.7	Very high	149 Å²	149	82.6 Å²	82.6	65%	0.648	43%	0.425	S	S	*	.			trans	-89.4	150.1	175	-61.2	179.2	-178.3	-179	0	110.7	K169 C170 C173 H190	K169-K175 WeakPolarHBondContact CA-O 3.06Å; C170-K175 PolarHBondContact N-O 3.24Å; C173-K175 PolarHBondContact O-N 3.39Å; K175-H190 PolarHBondContact O-CE1 3.37Å
176	A	89.4	Confident	90.9	Very high	36 Å²	36	80 Å²	80	30%	0.298	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-52.8	137.6	175.1	0	0	0	0	0	112.4	S167 H190	S167-A176 WeakPolarHBondContact OG-CB 3.48Å; A176-H190 PolarHBondContact O-NE2 3.48Å
177	I	91.4	Very high	91.2	Very high	21 Å²	21	81.4 Å²	81.4	11%	0.108	44%	0.441	C	S	.	.			trans	-96.3	93.3	171.8	-60.7	164.6	0	0	0	107.1	Q168 C170 P188	Q168-I177 PolarHBondContact O-N 3.31Å; C170-I177 HydrophobicContact CB-CD1 4.07Å; C170-I177 HydrophobicContact CB-CG1 4Å; I177-P188 HydrophobicContact CD1-CB 3.65Å; I177-P188 HydrophobicContact CD1-CG 4.3Å
178	Q	81.1	Confident	91.7	Very high	172 Å²	172	80.8 Å²	80.8	80%	0.804	44%	0.436	S	S	*	.			trans	-67.5	-42.1	-175.8	-67.7	177	-19.5	0	0	112.7
179	K	81.4	Confident	92	Very high	200 Å²	200	77.3 Å²	77.3	87%	0.87	42%	0.417	S	S	*	.	S	Bend	trans	-156.6	142.1	177.6	-168.5	173.6	179.8	178.5	0	111.4
180	G	86.5	Confident	92.2	Very high	46 Å²	46	74.6 Å²	74.6	47%	0.474	41%	0.406	S	S	.	.			trans	69.5	36	164.2	0	0	0	0	0	115.6	K191	G180-K191 WeakPolarHBondContact O-CD 3.44Å; G180-K191 WeakPolarHBondContact O-CE 3.47Å; G180-K191 WeakPolarHBondContact O-CG 3.32Å
181	G	92.4	Very high	92.2	Very high	32 Å²	32	79.3 Å²	79.3	33%	0.33	43%	0.427	S	S	.	.			trans	-72.8	-177.6	168.9	0	0	0	0	0	113.5	W189	G181-W189 CarbonylContact C-O 3.54Å; G181-W189 WeakPolarHBondContact CA-O 3.42Å
182	V	95.4	Very high	92.3	Very high	31 Å²	31	80.4 Å²	80.4	19%	0.188	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.2	172.7	-63.7	0	0	0	0	110.2	P188 W189 K191 F194 A204	V182-P188 CarbonylContact O-C 3.57Å; V182-W189 HydrophobicContact CG2-CB 3.93Å; V182-W189 PolarHBondContact N-O 3.49Å; V182-W189 PolarHBondContact O-N 2.94Å; V182-K191 HydrophobicContact CG1-CG 4.19Å; V182-F194 HydrophobicContact CG2-CB 3.66Å; V182-F194 HydrophobicContact CG2-CD1 3.79Å; V182-F194 HydrophobicContact CG2-CG 3.78Å; V182-A204 HydrophobicContact CG1-CB 3.61Å
183	T	94.9	Very high	92.4	Very high	99 Å²	99	75.5 Å²	75.5	61%	0.607	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.8	173.4	-56.2	0	0	0	0	108.8	Q187	T183-Q187 WeakPolarHBondContact CA-O 3.39Å
184	Y	94.5	Very high	92.5	Very high	40 Å²	40	73.4 Å²	73.4	16%	0.157	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.9	176.4	175.4	-114.5	0	0	0	109.3	G186 Q187 F194 F208 S210	Y184-G186 PolarHBondContact O-N 2.89Å; Y184-Q187 PolarHBondContact N-O 3.24Å; Y184-Q187 PolarHBondContact O-N 3.02Å; Y184-F194 AromaticContact CD1-CE2 3.52Å; Y184-F194 HydrophobicContact CD1-CE2 3.52Å; Y184-F194 AromaticContact CD1-CZ 3.98Å; Y184-F194 HydrophobicContact CD1-CZ 3.98Å; Y184-F194 HydrophobicContact CD2-CE2 4.37Å; Y184-F194 HydrophobicContact CD2-CZ 4Å; Y184-F194 HydrophobicContact CE1-CE2 4.22Å; Y184-F194 AromaticContact CG-CE2 3.6Å; Y184-F194 HydrophobicContact CG-CE2 3.6Å; Y184-F194 AromaticContact CG-CZ 3.67Å; Y184-F194 HydrophobicContact CG-CZ 3.67Å; Y184-F208 AromaticContact CD2-CE2 3.93Å; Y184-F208 HydrophobicContact CD2-CE2 3.93Å; Y184-F208 AromaticContact CD2-CZ 3.77Å; Y184-F208 HydrophobicContact CD2-CZ 3.77Å; Y184-F208 AromaticContact CE2-CE2 3.59Å; Y184-F208 HydrophobicContact CE2-CE2 3.59Å; Y184-F208 AromaticContact CE2-CZ 3.87Å; Y184-F208 HydrophobicContact CE2-CZ 3.87Å; Y184-S210 WeakPolarHBondContact OH-CB 3.16Å; Y184-S210 PolarHBondContact OH-OG 3.3Å; Y184-S210 VanDerWaalsContact OH-OG 3.11Å
185	K	92.4	Very high	92.8	Very high	115 Å²	115	69.5 Å²	69.5	50%	0.5	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.4	-172.6	-64.4	-173	172.8	-174.6	0	113.3	Q187 E213	K185-Q187 PolarHBondContact O-N 3.32Å; K185-Q187 VanDerWaalsContact O-N 3.14Å; K185-E213 IonicContact NZ-OE1 2.99Å; K185-E213 PolarHBondContact NZ-OE1 2.81Å; K185-E213 IonicContact NZ-OE2 2.75Å; K185-E213 PolarHBondContact NZ-OE2 3.44Å
186	G	91.7	Very high	93.1	Very high	62 Å²	62	62.5 Å²	62.5	64%	0.639	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-6.3	-177.9	0	0	0	0	0	115.2	Y184	Y184-G186 PolarHBondContact O-N 2.89Å
187	Q	94.8	Very high	93.4	Very high	102 Å²	102	63.9 Å²	63.9	48%	0.477	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.4	177.4	-64.7	-61	-32.8	0	0	110.6	C171 T183 Y184 K185 W189	C171-Q187 HydrophobicContact CB-CB 4.15Å; T183-Q187 WeakPolarHBondContact CA-O 3.39Å; Y184-Q187 PolarHBondContact N-O 3.24Å; Y184-Q187 PolarHBondContact O-N 3.02Å; K185-Q187 PolarHBondContact O-N 3.32Å; K185-Q187 VanDerWaalsContact O-N 3.14Å; Q187-W189 PolarHBondContact O-NE1 3.47Å
188	P	95.5	Very high	93.7	Very high	16 Å²	16	67 Å²	67	10%	0.104	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	144.7	-179.8	37.2	-36.3	0	0	0	111.3	Q168 K169 C170 C171 I177 V182	Q168-P188 HydrophobicContact CB-CB 4.1Å; Q168-P188 HydrophobicContact CB-CG 4.03Å; K169-P188 WeakPolarHBondContact O-CG 3.44Å; C170-P188 CarbonylContact C-O 3.52Å; C170-P188 WeakPolarHBondContact CA-O 3.47Å; C171-P188 PolarHBondContact N-O 2.91Å; I177-P188 HydrophobicContact CD1-CB 3.65Å; I177-P188 HydrophobicContact CD1-CG 4.3Å; V182-P188 CarbonylContact O-C 3.57Å
189	W	96.5	Very high	94.4	Very high	50 Å²	50	61.7 Å²	61.7	19%	0.189	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.2	-177.5	-55.6	74.3	0	0	0	110.8	C171 K172 G181 V182 Q187 F194	C171-W189 HydrophobicContact CB-CD2 4.02Å; C171-W189 HydrophobicContact CB-CE3 4.37Å; C171-W189 HydrophobicContact CB-CH2 4.01Å; C171-W189 HydrophobicContact CB-CZ2 3.65Å; C171-W189 HydrophobicContact CB-CZ3 4.38Å; K172-W189 HydrophobicContact CB-CE3 3.86Å; K172-W189 HydrophobicContact CB-CZ3 3.69Å; K172-W189 HydrophobicContact CG-CZ3 4.42Å; G181-W189 CarbonylContact C-O 3.54Å; G181-W189 WeakPolarHBondContact CA-O 3.42Å; V182-W189 HydrophobicContact CG2-CB 3.93Å; V182-W189 PolarHBondContact N-O 3.49Å; V182-W189 PolarHBondContact O-N 2.94Å; Q187-W189 PolarHBondContact O-NE1 3.47Å; W189-F194 HydrophobicContact CB-CB 3.94Å; W189-F194 HydrophobicContact CD2-CD2 4.08Å; W189-F194 HydrophobicContact CE3-CD2 4.38Å; W189-F194 HydrophobicContact CG-CB 4.37Å; W189-F194 HydrophobicContact CG-CD2 4.12Å
190	H	96.1	Very high	95.2	Very high	40 Å²	40	55.9 Å²	55.9	19%	0.185	33%	0.333	C	S	.	.			trans	-65	147.2	158.2	-57.6	106.9	0	0	0	109.2	C170 C173 K175 A176 T192 C193 F194	C170-H190 WeakPolarHBondContact CB-CE1 3.32Å; C170-H190 WeakPolarHBondContact CB-ND1 3.4Å; C170-H190 PolarHBondContact SG-N 3.19Å; C170-H190 VanDerWaalsContact SG-N 3.39Å; C170-H190 PolarHBondContact SG-ND1 2.82Å; C170-H190 VanDerWaalsContact SG-ND1 3.37Å; C173-H190 PolarHBondContact SG-CE1 3.33Å; C173-H190 PolarHBondContact SG-ND1 2.86Å; K175-H190 PolarHBondContact O-CE1 3.37Å; A176-H190 PolarHBondContact O-NE2 3.48Å; H190-T192 PolarHBondContact O-N 2.9Å; H190-C193 HydrophobicContact CB-CB 3.91Å; H190-C193 CarbonylContact O-C 3.5Å; H190-C193 WeakPolarHBondContact O-CA 3.43Å; H190-C193 WeakPolarHBondContact O-CB 3.36Å; H190-C193 PolarHBondContact O-N 3.32Å; H190-F194 PolarHBondContact O-N 3.08Å
191	K	95.9	Very high	95.7	Very high	101 Å²	101	56.2 Å²	56.2	44%	0.439	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-53.6	-45.5	173	-67.1	-179.3	168.1	177.3	0	111.8	G180 V182 C193 F194 A204	G180-K191 WeakPolarHBondContact O-CD 3.44Å; G180-K191 WeakPolarHBondContact O-CE 3.47Å; G180-K191 WeakPolarHBondContact O-CG 3.32Å; V182-K191 HydrophobicContact CG1-CG 4.19Å; K191-C193 PolarHBondContact O-N 3.37Å; K191-F194 PolarHBondContact O-N 3.34Å; K191-A204 HydrophobicContact CB-CB 3.87Å; K191-A204 HydrophobicContact CD-CB 4.13Å; K191-A204 HydrophobicContact CG-CB 3.63Å
192	T	95.1	Very high	95.9	Very high	90 Å²	90	59.2 Å²	59.2	55%	0.552	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.8	175.5	54.5	0	0	0	0	114.2	H190 L195 E202	H190-T192 PolarHBondContact O-N 2.9Å; T192-L195 WeakPolarHBondContact O-CD1 3.14Å; T192-L195 WeakPolarHBondContact O-CD2 3.24Å; T192-L195 WeakPolarHBondContact O-CG 3.32Å; T192-E202 VanDerWaalsContact CG2-OE1 3.32Å; T192-E202 WeakPolarHBondContact CG2-OE1 3.33Å
193	C	96.7	Very high	96	Very high	17 Å²	17	57.8 Å²	57.8	12%	0.115	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-97.6	-25.1	174.2	-75.4	0	0	0	0	112.3	C170 K172 H190 K191 L195	C170-C193 WeakPolarHBondContact SG-CB 3.19Å; C170-C193 VanDerWaalsContact SG-SG 3.69Å; K172-C193 HydrophobicContact CB-CB 3.85Å; K172-C193 HydrophobicContact CD-CB 3.77Å; K172-C193 WeakPolarHBondContact CD-O 3.24Å; K172-C193 HydrophobicContact CG-CB 4.38Å; H190-C193 HydrophobicContact CB-CB 3.91Å; H190-C193 CarbonylContact O-C 3.5Å; H190-C193 WeakPolarHBondContact O-CA 3.43Å; H190-C193 WeakPolarHBondContact O-CB 3.36Å; H190-C193 PolarHBondContact O-N 3.32Å; K191-C193 PolarHBondContact O-N 3.37Å; C193-L195 PolarHBondContact O-N 2.79Å; C193-L195 VanDerWaalsContact O-N 3.13Å
194	F	97.2	Very high	96	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.026	30%	0.304	C	S	.	.	S	Bend	trans	-86.6	79.3	178.5	-167.6	-118.9	0	0	0	110.4	V182 Y184 W189 H190 K191 L203 F208 P215	V182-F194 HydrophobicContact CG2-CB 3.66Å; V182-F194 HydrophobicContact CG2-CD1 3.79Å; V182-F194 HydrophobicContact CG2-CG 3.78Å; Y184-F194 AromaticContact CD1-CE2 3.52Å; Y184-F194 HydrophobicContact CD1-CE2 3.52Å; Y184-F194 AromaticContact CD1-CZ 3.98Å; Y184-F194 HydrophobicContact CD1-CZ 3.98Å; Y184-F194 HydrophobicContact CD2-CE2 4.37Å; Y184-F194 HydrophobicContact CD2-CZ 4Å; Y184-F194 HydrophobicContact CE1-CE2 4.22Å; Y184-F194 AromaticContact CG-CE2 3.6Å; Y184-F194 HydrophobicContact CG-CE2 3.6Å; Y184-F194 AromaticContact CG-CZ 3.67Å; Y184-F194 HydrophobicContact CG-CZ 3.67Å; W189-F194 HydrophobicContact CB-CB 3.94Å; W189-F194 HydrophobicContact CD2-CD2 4.08Å; W189-F194 HydrophobicContact CE3-CD2 4.38Å; W189-F194 HydrophobicContact CG-CB 4.37Å; W189-F194 HydrophobicContact CG-CD2 4.12Å; H190-F194 PolarHBondContact O-N 3.08Å; K191-F194 PolarHBondContact O-N 3.34Å; F194-L203 HydrophobicContact CD1-CB 3.54Å; F194-L203 HydrophobicContact CE1-CB 3.52Å; F194-L203 HydrophobicContact CE1-CD1 4.17Å; F194-L203 HydrophobicContact CG-CB 4.44Å; F194-L203 HydrophobicContact CZ-CB 4.4Å; F194-L203 HydrophobicContact CZ-CD1 4.27Å; F194-L203 WeakPolarHBondContact O-CB 3.2Å; F194-L203 PolarHBondContact O-N 3.14Å; F194-F208 HydrophobicContact CE1-CD1 4.13Å; F194-F208 AromaticContact CE1-CE1 3.67Å; F194-F208 HydrophobicContact CE1-CE1 3.67Å; F194-F208 HydrophobicContact CE1-CE2 4.09Å; F194-F208 AromaticContact CE1-CZ 3.65Å; F194-F208 HydrophobicContact CE1-CZ 3.65Å; F194-F208 HydrophobicContact CZ-CD2 4.17Å; F194-F208 AromaticContact CZ-CE1 3.99Å; F194-F208 HydrophobicContact CZ-CE1 3.99Å; F194-F208 AromaticContact CZ-CE2 3.56Å; F194-F208 HydrophobicContact CZ-CE2 3.56Å; F194-F208 AromaticContact CZ-CZ 3.46Å; F194-F208 HydrophobicContact CZ-CZ 3.46Å; F194-F208 VanDerWaalsContact CZ-CZ 3.46Å; F194-P215 HydrophobicContact CE2-CB 4.3Å; F194-P215 HydrophobicContact CE2-CG 4.27Å; F194-P215 HydrophobicContact CZ-CB 4.41Å
195	L	97.9	Very high	95.9	Very high	35 Å²	35	56.1 Å²	56.1	18%	0.183	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-113.2	152.9	-170.2	-53.8	-178.1	0	0	0	112	T192 C193 T197 S200 C201 E202	T192-L195 WeakPolarHBondContact O-CD1 3.14Å; T192-L195 WeakPolarHBondContact O-CD2 3.24Å; T192-L195 WeakPolarHBondContact O-CG 3.32Å; C193-L195 PolarHBondContact O-N 2.79Å; C193-L195 VanDerWaalsContact O-N 3.13Å; L195-T197 PolarHBondContact O-N 3.13Å; L195-S200 WeakPolarHBondContact CD2-O 3.49Å; L195-C201 CarbonylContact C-O 3.59Å; L195-C201 VanDerWaalsContact CA-O 3.24Å; L195-C201 WeakPolarHBondContact CA-O 3.37Å; L195-E202 HydrophobicContact CD2-CB 4.29Å; L195-E202 HydrophobicContact CD2-CG 3.75Å
196	C	97.6	Very high	96	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	34%	0.341	C	S	.	.			trans	-61.3	130.4	168.7	173	0	0	0	0	110.3	N198 C199 S200 C201 L203 C217	C196-N198 PolarHBondContact O-N 3.42Å; C196-N198 PolarHBondContact SG-N 3.16Å; C196-N198 VanDerWaalsContact SG-N 3.44Å; C196-C199 VanDerWaalsContact SG-SG 3.61Å; C196-S200 WeakPolarHBondContact O-CA 3.33Å; C196-S200 PolarHBondContact O-N 2.89Å; C196-C201 PolarHBondContact N-O 3.47Å; C196-L203 HydrophobicContact CB-CD2 3.92Å; C196-L203 HydrophobicContact CB-CG 4.34Å; C196-C217 HydrophobicContact CB-CB 4.06Å; C196-C217 PolarHBondContact SG-N 3.2Å
197	T	96.7	Very high	96.1	Very high	64 Å²	64	60.4 Å²	60.4	39%	0.393	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.3	-179.3	-58.5	0	0	0	0	112.8	L195 K214 P215 Y216	L195-T197 PolarHBondContact O-N 3.13Å; T197-K214 HydrophobicContact CG2-CB 4.24Å; T197-K214 HydrophobicContact CG2-CD 4.1Å; T197-P215 WeakPolarHBondContact CB-O 3.32Å; T197-P215 PolarHBondContact N-O 3.04Å; T197-P215 PolarHBondContact OG1-O 2.84Å; T197-Y216 HydrophobicContact CG2-CE1 4.13Å
198	N	96.9	Very high	96	Very high	87 Å²	87	58.5 Å²	58.5	47%	0.465	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-56.4	-178.2	-170.5	61.6	0	0	0	113.7	C196 Y216 C220 L224	C196-N198 PolarHBondContact O-N 3.42Å; C196-N198 PolarHBondContact SG-N 3.16Å; C196-N198 VanDerWaalsContact SG-N 3.44Å; N198-Y216 HydrophobicContact CB-CD1 4.08Å; N198-Y216 HydrophobicContact CB-CE1 4.19Å; N198-C220 HydrophobicContact CB-CB 3.89Å; N198-C220 PolarHBondContact ND2-SG 3.01Å; N198-L224 HydrophobicContact CB-CD1 3.87Å
199	C	97.2	Very high	95.9	Very high	61 Å²	61	59.9 Å²	59.9	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.9	-174.4	67.2	0	0	0	0	115.1	C196 C201	C196-C199 VanDerWaalsContact SG-SG 3.61Å; C199-C201 PolarHBondContact O-N 3.41Å; C199-C201 VanDerWaalsContact O-N 3.16Å; C199-C201 PolarHBondContact SG-SG 3.25Å
200	S	97.1	Very high	95.7	Very high	78 Å²	78	59.3 Å²	59.3	55%	0.545	34%	0.342	S	S	.	.			trans	60.6	15.5	-176.8	-57.7	0	0	0	0	116.3	L195 C196	L195-S200 WeakPolarHBondContact CD2-O 3.49Å; C196-S200 WeakPolarHBondContact O-CA 3.33Å; C196-S200 PolarHBondContact O-N 2.89Å
201	C	96.9	Very high	95.5	Very high	52 Å²	52	62.5 Å²	62.5	35%	0.351	35%	0.352	S	S	.	.			trans	-67.8	150.5	172.6	75.9	0	0	0	0	111.7	L195 C196 C199 L203	L195-C201 CarbonylContact C-O 3.59Å; L195-C201 VanDerWaalsContact CA-O 3.24Å; L195-C201 WeakPolarHBondContact CA-O 3.37Å; C196-C201 PolarHBondContact N-O 3.47Å; C199-C201 PolarHBondContact O-N 3.41Å; C199-C201 VanDerWaalsContact O-N 3.16Å; C199-C201 PolarHBondContact SG-SG 3.25Å; C201-L203 PolarHBondContact O-N 2.96Å
202	E	97.1	Very high	95.3	Very high	95 Å²	95	64 Å²	64	44%	0.444	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-65.2	131.4	174.9	-65.6	-170.7	-168.3	0	0	111.3	T192 L195	T192-E202 VanDerWaalsContact CG2-OE1 3.32Å; T192-E202 WeakPolarHBondContact CG2-OE1 3.33Å; L195-E202 HydrophobicContact CD2-CB 4.29Å; L195-E202 HydrophobicContact CD2-CG 3.75Å
203	L	97.4	Very high	95.1	Very high	1 Å²	1	66 Å²	66	1%	0.005	37%	0.368	C	S	.	.			trans	-97.1	-7.6	178.9	-62.7	177.2	0	0	0	112.9	F194 C196 C201 G205 Q206 F208 P215 C217	F194-L203 HydrophobicContact CD1-CB 3.54Å; F194-L203 HydrophobicContact CE1-CB 3.52Å; F194-L203 HydrophobicContact CE1-CD1 4.17Å; F194-L203 HydrophobicContact CG-CB 4.44Å; F194-L203 HydrophobicContact CZ-CB 4.4Å; F194-L203 HydrophobicContact CZ-CD1 4.27Å; F194-L203 WeakPolarHBondContact O-CB 3.2Å; F194-L203 PolarHBondContact O-N 3.14Å; C196-L203 HydrophobicContact CB-CD2 3.92Å; C196-L203 HydrophobicContact CB-CG 4.34Å; C201-L203 PolarHBondContact O-N 2.96Å; L203-G205 PolarHBondContact O-N 3.21Å; L203-G205 VanDerWaalsContact O-N 3.15Å; L203-Q206 PolarHBondContact O-N 3.16Å; L203-F208 HydrophobicContact CB-CB 4.36Å; L203-F208 HydrophobicContact CB-CD1 4.18Å; L203-F208 HydrophobicContact CB-CG 4.28Å; L203-F208 HydrophobicContact CD1-CB 4.06Å; L203-F208 HydrophobicContact CD1-CD2 4.28Å; L203-F208 HydrophobicContact CD1-CG 4.14Å; L203-F208 HydrophobicContact CD2-CB 3.7Å; L203-F208 HydrophobicContact CD2-CG 4.47Å; L203-F208 HydrophobicContact CG-CB 4.25Å; L203-P215 HydrophobicContact CD1-CB 3.62Å; L203-P215 HydrophobicContact CD1-CG 4.12Å; L203-C217 HydrophobicContact CD2-CB 3.63Å
204	A	95	Very high	95	Very high	22 Å²	22	70.7 Å²	70.7	18%	0.182	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	116.5	179.1	0	0	0	0	0	111	V182 K191 Q206	V182-A204 HydrophobicContact CG1-CB 3.61Å; K191-A204 HydrophobicContact CB-CB 3.87Å; K191-A204 HydrophobicContact CD-CB 4.13Å; K191-A204 HydrophobicContact CG-CB 3.63Å; A204-Q206 PolarHBondContact O-N 2.91Å
205	G	92.9	Very high	94.9	Very high	83 Å²	83	71.4 Å²	71.4	86%	0.856	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	2	-177.1	0	0	0	0	0	114.8	L203	L203-G205 PolarHBondContact O-N 3.21Å; L203-G205 VanDerWaalsContact O-N 3.15Å
206	Q	94.1	Very high	94.8	Very high	126 Å²	126	71 Å²	71	59%	0.589	39%	0.388	S	S	*	.	S	Bend	trans	-99.2	159.5	177.2	-62.1	-59.3	-38.4	0	0	111.2	L203 A204 F208	L203-Q206 PolarHBondContact O-N 3.16Å; A204-Q206 PolarHBondContact O-N 2.91Å; Q206-F208 WeakPolarHBondContact O-CD1 3.29Å; Q206-F208 PolarHBondContact O-N 3.32Å
207	K	92.5	Very high	94.7	Very high	141 Å²	141	71.5 Å²	71.5	61%	0.613	39%	0.391	S	S	*	.			trans	-73.3	126.9	169.4	-67.9	179.8	-177.1	174.6	0	109.4	A218 F239	K207-A218 HydrophobicContact CB-CB 4.25Å; K207-A218 PolarHBondContact O-N 2.67Å; K207-A218 VanDerWaalsContact O-N 3.16Å; K207-F239 HydrophobicContact CB-CD1 4.36Å
208	F	94.6	Very high	94.5	Very high	62 Å²	62	69.2 Å²	69.2	27%	0.272	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.3	177.6	74.8	-88.9	0	0	0	109.9	Y184 F194 L203 Q206 P215 Y216	Y184-F208 AromaticContact CD2-CE2 3.93Å; Y184-F208 HydrophobicContact CD2-CE2 3.93Å; Y184-F208 AromaticContact CD2-CZ 3.77Å; Y184-F208 HydrophobicContact CD2-CZ 3.77Å; Y184-F208 AromaticContact CE2-CE2 3.59Å; Y184-F208 HydrophobicContact CE2-CE2 3.59Å; Y184-F208 AromaticContact CE2-CZ 3.87Å; Y184-F208 HydrophobicContact CE2-CZ 3.87Å; F194-F208 HydrophobicContact CE1-CD1 4.13Å; F194-F208 AromaticContact CE1-CE1 3.67Å; F194-F208 HydrophobicContact CE1-CE1 3.67Å; F194-F208 HydrophobicContact CE1-CE2 4.09Å; F194-F208 AromaticContact CE1-CZ 3.65Å; F194-F208 HydrophobicContact CE1-CZ 3.65Å; F194-F208 HydrophobicContact CZ-CD2 4.17Å; F194-F208 AromaticContact CZ-CE1 3.99Å; F194-F208 HydrophobicContact CZ-CE1 3.99Å; F194-F208 AromaticContact CZ-CE2 3.56Å; F194-F208 HydrophobicContact CZ-CE2 3.56Å; F194-F208 AromaticContact CZ-CZ 3.46Å; F194-F208 HydrophobicContact CZ-CZ 3.46Å; F194-F208 VanDerWaalsContact CZ-CZ 3.46Å; L203-F208 HydrophobicContact CB-CB 4.36Å; L203-F208 HydrophobicContact CB-CD1 4.18Å; L203-F208 HydrophobicContact CB-CG 4.28Å; L203-F208 HydrophobicContact CD1-CB 4.06Å; L203-F208 HydrophobicContact CD1-CD2 4.28Å; L203-F208 HydrophobicContact CD1-CG 4.14Å; L203-F208 HydrophobicContact CD2-CB 3.7Å; L203-F208 HydrophobicContact CD2-CG 4.47Å; L203-F208 HydrophobicContact CG-CB 4.25Å; Q206-F208 WeakPolarHBondContact O-CD1 3.29Å; Q206-F208 PolarHBondContact O-N 3.32Å; F208-P215 HydrophobicContact CD2-CB 4.3Å; F208-Y216 VanDerWaalsContact CA-O 3.29Å; F208-Y216 WeakPolarHBondContact CA-O 3.39Å; F208-Y216 VanDerWaalsContact CB-O 3.26Å; F208-Y216 WeakPolarHBondContact CB-O 3.15Å
209	T	92.4	Very high	94.3	Very high	44 Å²	44	70.6 Å²	70.6	27%	0.27	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	166.6	168.5	-165.6	0	0	0	0	109.8	Y216 Y221 F239	T209-Y216 PolarHBondContact N-O 3.28Å; T209-Y216 PolarHBondContact O-N 3.14Å; T209-Y221 HydrophobicContact CG2-CD1 3.75Å; T209-Y221 HydrophobicContact CG2-CD2 3.09Å; T209-Y221 HydrophobicContact CG2-CE1 3.96Å; T209-Y221 HydrophobicContact CG2-CE2 3.35Å; T209-Y221 HydrophobicContact CG2-CG 3.3Å; T209-F239 HydrophobicContact CG2-CE1 4.43Å; T209-F239 HydrophobicContact CG2-CE2 4.28Å; T209-F239 HydrophobicContact CG2-CZ 3.54Å
210	S	92.6	Very high	94.2	Very high	38 Å²	38	68.1 Å²	68.1	27%	0.266	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144	177.5	61.6	0	0	0	0	112.6	Y184 K214	Y184-S210 WeakPolarHBondContact OH-CB 3.16Å; Y184-S210 PolarHBondContact OH-OG 3.3Å; Y184-S210 VanDerWaalsContact OH-OG 3.11Å; S210-K214 VanDerWaalsContact CA-O 3.26Å; S210-K214 WeakPolarHBondContact CA-O 3.26Å
211	R	92.5	Very high	94	Very high	107 Å²	107	67.6 Å²	67.6	40%	0.404	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.2	169.2	-176.1	176.1	177.4	158.4	2.7	108.4	E213 K214 Y216 Y221 F225	R211-E213 PolarHBondContact O-N 3.38Å; R211-K214 PolarHBondContact N-O 3.23Å; R211-K214 WeakPolarHBondContact O-CB 3.26Å; R211-K214 PolarHBondContact O-N 3.42Å; R211-Y216 HydrophobicContact CB-CD2 4.44Å; R211-Y216 HydrophobicContact CB-CE2 4.19Å; R211-Y221 HydrophobicContact CB-CE2 4.22Å; R211-F225 VanDerWaalsContact NH1-CG 3.35Å
212	D	91.4	Very high	93.7	Very high	133 Å²	133	66.1 Å²	66.1	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	45.8	-177.9	-49.7	-39.8	0	0	0	112.2	K214	D212-K214 PolarHBondContact O-N 2.84Å
213	E	90.6	Very high	93.4	Very high	132 Å²	132	68 Å²	68	62%	0.617	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	4.1	-175.3	-61.3	-58.1	124.2	0	0	116.3	K185 R211	K185-E213 IonicContact NZ-OE1 2.99Å; K185-E213 PolarHBondContact NZ-OE1 2.81Å; K185-E213 IonicContact NZ-OE2 2.75Å; K185-E213 PolarHBondContact NZ-OE2 3.44Å; R211-E213 PolarHBondContact O-N 3.38Å
214	K	93.8	Very high	93	Very high	116 Å²	116	71.8 Å²	71.8	50%	0.504	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.7	178.5	-67.4	175.9	-174.3	178.1	0	110.8	T197 S210 R211 D212 Y216	T197-K214 HydrophobicContact CG2-CB 4.24Å; T197-K214 HydrophobicContact CG2-CD 4.1Å; S210-K214 VanDerWaalsContact CA-O 3.26Å; S210-K214 WeakPolarHBondContact CA-O 3.26Å; R211-K214 PolarHBondContact N-O 3.23Å; R211-K214 WeakPolarHBondContact O-CB 3.26Å; R211-K214 PolarHBondContact O-N 3.42Å; D212-K214 PolarHBondContact O-N 2.84Å; K214-Y216 HydrophobicContact CB-CE2 3.74Å; K214-Y216 WeakPolarHBondContact O-CD2 3.24Å; K214-Y216 VanDerWaalsContact O-CE2 3.24Å; K214-Y216 WeakPolarHBondContact O-CE2 3.14Å
215	P	95.7	Very high	92.7	Very high	21 Å²	21	73.4 Å²	73.4	14%	0.136	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	141.3	-179.9	33.9	-36.1	0	0	0	111.7	F194 T197 L203 F208	F194-P215 HydrophobicContact CE2-CB 4.3Å; F194-P215 HydrophobicContact CE2-CG 4.27Å; F194-P215 HydrophobicContact CZ-CB 4.41Å; T197-P215 WeakPolarHBondContact CB-O 3.32Å; T197-P215 PolarHBondContact N-O 3.04Å; T197-P215 PolarHBondContact OG1-O 2.84Å; L203-P215 HydrophobicContact CD1-CB 3.62Å; L203-P215 HydrophobicContact CD1-CG 4.12Å; F208-P215 HydrophobicContact CD2-CB 4.3Å
216	Y	96.2	Very high	92.4	Very high	27 Å²	27	70.1 Å²	70.1	11%	0.106	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.1	178.7	-64.4	-93.9	0	0	0	110.1	T197 N198 F208 T209 R211 K214 L224 F225	T197-Y216 HydrophobicContact CG2-CE1 4.13Å; N198-Y216 HydrophobicContact CB-CD1 4.08Å; N198-Y216 HydrophobicContact CB-CE1 4.19Å; F208-Y216 VanDerWaalsContact CA-O 3.29Å; F208-Y216 WeakPolarHBondContact CA-O 3.39Å; F208-Y216 VanDerWaalsContact CB-O 3.26Å; F208-Y216 WeakPolarHBondContact CB-O 3.15Å; T209-Y216 PolarHBondContact N-O 3.28Å; T209-Y216 PolarHBondContact O-N 3.14Å; R211-Y216 HydrophobicContact CB-CD2 4.44Å; R211-Y216 HydrophobicContact CB-CE2 4.19Å; K214-Y216 HydrophobicContact CB-CE2 3.74Å; K214-Y216 WeakPolarHBondContact O-CD2 3.24Å; K214-Y216 VanDerWaalsContact O-CE2 3.24Å; K214-Y216 WeakPolarHBondContact O-CE2 3.14Å; Y216-L224 HydrophobicContact CD1-CD1 4.07Å; Y216-L224 HydrophobicContact CE1-CD1 3.96Å; Y216-F225 HydrophobicContact CD1-CE2 4.01Å; Y216-F225 HydrophobicContact CD2-CE2 4.03Å; Y216-F225 AromaticContact CE1-CE2 3.89Å; Y216-F225 HydrophobicContact CE1-CE2 3.89Å; Y216-F225 HydrophobicContact CE1-CZ 4.1Å; Y216-F225 AromaticContact CE2-CE2 3.93Å; Y216-F225 HydrophobicContact CE2-CE2 3.93Å; Y216-F225 HydrophobicContact CE2-CZ 4.26Å; Y216-F225 HydrophobicContact CG-CE2 4.09Å; Y216-F225 AromaticContact CZ-CE2 3.87Å; Y216-F225 AromaticContact CZ-CZ 3.9Å
217	C	95.8	Very high	92.2	Very high	11 Å²	11	70.3 Å²	70.3	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	159.9	171.1	71.6	0	0	0	0	110.5	C196 L203 D219 C220 Y221	C196-C217 HydrophobicContact CB-CB 4.06Å; C196-C217 PolarHBondContact SG-N 3.2Å; L203-C217 HydrophobicContact CD2-CB 3.63Å; C217-D219 PolarHBondContact O-N 2.75Å; C217-C220 PolarHBondContact O-N 3.18Å; C217-C220 VanDerWaalsContact SG-CB 3.57Å; C217-C220 PolarHBondContact SG-N 3.11Å; C217-C220 VanDerWaalsContact SG-N 3.38Å; C217-Y221 WeakPolarHBondContact O-CB 3.28Å; C217-Y221 PolarHBondContact O-N 2.99Å
218	A	92.8	Very high	92.1	Very high	17 Å²	17	68.8 Å²	68.8	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-53.2	-41.1	-177.9	0	0	0	0	0	113.2	K207 T222 F239	K207-A218 HydrophobicContact CB-CB 4.25Å; K207-A218 PolarHBondContact O-N 2.67Å; K207-A218 VanDerWaalsContact O-N 3.16Å; A218-T222 WeakPolarHBondContact O-CB 3.17Å; A218-T222 PolarHBondContact O-N 2.81Å; A218-T222 PolarHBondContact O-OG1 2.91Å; A218-F239 VanDerWaalsContact CA-CE2 3.49Å; A218-F239 HydrophobicContact CB-CB 4.34Å; A218-F239 HydrophobicContact CB-CD1 4Å; A218-F239 HydrophobicContact CB-CD2 3.68Å; A218-F239 HydrophobicContact CB-CE1 4.18Å; A218-F239 HydrophobicContact CB-CE2 3.88Å; A218-F239 HydrophobicContact CB-CG 3.73Å; A218-F239 HydrophobicContact CB-CZ 4.1Å
219	D	92.8	Very high	92	Very high	115 Å²	115	66 Å²	66	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-69.6	-50.4	-178.6	-59.8	-32.7	0	0	0	112	C217 Y221 T222 Q223	C217-D219 PolarHBondContact O-N 2.75Å; D219-Y221 VanDerWaalsContact C-N 3.32Å; D219-Y221 PolarHBondContact O-N 3.49Å; D219-T222 PolarHBondContact O-N 2.96Å; D219-Q223 WeakPolarHBondContact O-CB 3.23Å; D219-Q223 VanDerWaalsContact O-CG 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.35Å; D219-Q223 PolarHBondContact O-N 2.89Å
220	C	94.8	Very high	92	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-40.2	178.9	-73.6	0	0	0	0	111.4	N198 C217 T222 Q223 L224	N198-C220 HydrophobicContact CB-CB 3.89Å; N198-C220 PolarHBondContact ND2-SG 3.01Å; C217-C220 PolarHBondContact O-N 3.18Å; C217-C220 VanDerWaalsContact SG-CB 3.57Å; C217-C220 PolarHBondContact SG-N 3.11Å; C217-C220 VanDerWaalsContact SG-N 3.38Å; C220-T222 VanDerWaalsContact C-N 3.33Å; C220-T222 PolarHBondContact O-N 3.02Å; C220-Q223 PolarHBondContact O-N 3.45Å; C220-L224 VanDerWaalsContact O-CB 3.23Å; C220-L224 WeakPolarHBondContact O-CB 3.47Å; C220-L224 WeakPolarHBondContact O-CD1 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.48Å; C220-L224 PolarHBondContact O-N 2.73Å
221	Y	92.6	Very high	92	Very high	68 Å²	68	69 Å²	69	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176.6	-175.8	-89.6	0	0	0	111.4	T209 R211 C217 D219 L224 F225 F239	T209-Y221 HydrophobicContact CG2-CD1 3.75Å; T209-Y221 HydrophobicContact CG2-CD2 3.09Å; T209-Y221 HydrophobicContact CG2-CE1 3.96Å; T209-Y221 HydrophobicContact CG2-CE2 3.35Å; T209-Y221 HydrophobicContact CG2-CG 3.3Å; R211-Y221 HydrophobicContact CB-CE2 4.22Å; C217-Y221 WeakPolarHBondContact O-CB 3.28Å; C217-Y221 PolarHBondContact O-N 2.99Å; D219-Y221 VanDerWaalsContact C-N 3.32Å; D219-Y221 PolarHBondContact O-N 3.49Å; Y221-L224 PolarHBondContact O-N 3.5Å; Y221-F225 HydrophobicContact CD2-CB 4.46Å; Y221-F225 AromaticContact CD2-CD2 3.44Å; Y221-F225 HydrophobicContact CD2-CD2 3.44Å; Y221-F225 VanDerWaalsContact CD2-CD2 3.44Å; Y221-F225 HydrophobicContact CD2-CE2 4.12Å; Y221-F225 HydrophobicContact CD2-CG 4.39Å; Y221-F225 HydrophobicContact CE1-CB 4.45Å; Y221-F225 HydrophobicContact CE2-CB 4.25Å; Y221-F225 AromaticContact CE2-CD2 3.76Å; Y221-F225 HydrophobicContact CE2-CD2 3.76Å; Y221-F225 HydrophobicContact CE2-CG 4.37Å; Y221-F225 HydrophobicContact CG-CD2 4.02Å; Y221-F225 WeakPolarHBondContact O-CA 3.49Å; Y221-F225 WeakPolarHBondContact O-CB 3.44Å; Y221-F225 PolarHBondContact O-N 3.22Å; Y221-F239 AromaticContact CD1-CE2 3.77Å; Y221-F239 HydrophobicContact CD1-CE2 3.77Å; Y221-F239 HydrophobicContact CD1-CZ 4.35Å; Y221-F239 HydrophobicContact CG-CE2 4.18Å; Y221-F239 HydrophobicContact CG-CZ 4.48Å
222	T	90.3	Very high	92	Very high	20 Å²	20	65.8 Å²	65.8	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.6	-59.7	0	0	0	0	110.9	A218 D219 C220 A226 P235	A218-T222 WeakPolarHBondContact O-CB 3.17Å; A218-T222 PolarHBondContact O-N 2.81Å; A218-T222 PolarHBondContact O-OG1 2.91Å; D219-T222 PolarHBondContact O-N 2.96Å; C220-T222 VanDerWaalsContact C-N 3.33Å; C220-T222 PolarHBondContact O-N 3.02Å; T222-A226 HydrophobicContact CG2-CB 3.99Å; T222-A226 WeakPolarHBondContact O-CB 3.23Å; T222-A226 PolarHBondContact O-N 3.41Å; T222-A226 VanDerWaalsContact O-N 3.12Å; T222-P235 HydrophobicContact CG2-CB 3.55Å; T222-P235 HydrophobicContact CG2-CG 4.43Å
223	Q	89.8	Confident	92.1	Very high	135 Å²	135	64.5 Å²	64.5	63%	0.631	33%	0.329	S	S	*	.	H	α-helix	trans	-67.1	-38.2	-179.5	-69.5	170.8	21.6	0	0	113.1	D219 C220	D219-Q223 WeakPolarHBondContact O-CB 3.23Å; D219-Q223 VanDerWaalsContact O-CG 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.35Å; D219-Q223 PolarHBondContact O-N 2.89Å; C220-Q223 PolarHBondContact O-N 3.45Å
224	L	90.3	Very high	92	Very high	81 Å²	81	65.1 Å²	65.1	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-85.2	-30.1	-175.7	-66.4	171.7	0	0	0	113.3	N198 Y216 C220 Y221	N198-L224 HydrophobicContact CB-CD1 3.87Å; Y216-L224 HydrophobicContact CD1-CD1 4.07Å; Y216-L224 HydrophobicContact CE1-CD1 3.96Å; C220-L224 VanDerWaalsContact O-CB 3.23Å; C220-L224 WeakPolarHBondContact O-CB 3.47Å; C220-L224 WeakPolarHBondContact O-CD1 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.48Å; C220-L224 PolarHBondContact O-N 2.73Å; Y221-L224 PolarHBondContact O-N 3.5Å
225	F	89.3	Confident	91.8	Very high	56 Å²	56	61.9 Å²	61.9	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-137	-10.2	-162.5	-50.1	-56.1	0	0	0	115.8	R211 Y216 Y221	R211-F225 VanDerWaalsContact NH1-CG 3.35Å; Y216-F225 HydrophobicContact CD1-CE2 4.01Å; Y216-F225 HydrophobicContact CD2-CE2 4.03Å; Y216-F225 AromaticContact CE1-CE2 3.89Å; Y216-F225 HydrophobicContact CE1-CE2 3.89Å; Y216-F225 HydrophobicContact CE1-CZ 4.1Å; Y216-F225 AromaticContact CE2-CE2 3.93Å; Y216-F225 HydrophobicContact CE2-CE2 3.93Å; Y216-F225 HydrophobicContact CE2-CZ 4.26Å; Y216-F225 HydrophobicContact CG-CE2 4.09Å; Y216-F225 AromaticContact CZ-CE2 3.87Å; Y216-F225 AromaticContact CZ-CZ 3.9Å; Y221-F225 HydrophobicContact CD2-CB 4.46Å; Y221-F225 AromaticContact CD2-CD2 3.44Å; Y221-F225 HydrophobicContact CD2-CD2 3.44Å; Y221-F225 VanDerWaalsContact CD2-CD2 3.44Å; Y221-F225 HydrophobicContact CD2-CE2 4.12Å; Y221-F225 HydrophobicContact CD2-CG 4.39Å; Y221-F225 HydrophobicContact CE1-CB 4.45Å; Y221-F225 HydrophobicContact CE2-CB 4.25Å; Y221-F225 AromaticContact CE2-CD2 3.76Å; Y221-F225 HydrophobicContact CE2-CD2 3.76Å; Y221-F225 HydrophobicContact CE2-CG 4.37Å; Y221-F225 HydrophobicContact CG-CD2 4.02Å; Y221-F225 WeakPolarHBondContact O-CA 3.49Å; Y221-F225 WeakPolarHBondContact O-CB 3.44Å; Y221-F225 PolarHBondContact O-N 3.22Å
226	A	86.2	Confident	91.4	Very high	14 Å²	14	61.6 Å²	61.6	12%	0.116	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-66.1	146.3	178.7	0	0	0	0	0	111.2	T222 P235	T222-A226 HydrophobicContact CG2-CB 3.99Å; T222-A226 WeakPolarHBondContact O-CB 3.23Å; T222-A226 PolarHBondContact O-N 3.41Å; T222-A226 VanDerWaalsContact O-N 3.12Å; A226-P235 HydrophobicContact CB-CB 3.93Å
227	K	89	Confident	90.6	Very high	129 Å²	129	62.5 Å²	62.5	56%	0.561	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-67.1	145	165.9	-59.2	-65.3	-173	170.8	0	108.7	I236 H251	K227-I236 PolarHBondContact O-N 3.18Å; K227-H251 HydrophobicContact CB-CB 4.36Å
228	H	90.7	Very high	89.5	Confident	109 Å²	109	65 Å²	65	51%	0.505	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-94.4	142.7	179.1	-64	85.5	0	0	0	109.9	A230 T233	H228-A230 PolarHBondContact O-N 2.78Å; H228-T233 PolarHBondContact CD2-O 3.19Å
229	C	92.4	Very high	88.5	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.02	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66.7	127.7	174.7	173.1	0	0	0	0	110.6	K231 C232 T233 K234 I236 H251 H253 C256	C229-K231 PolarHBondContact O-N 3.22Å; C229-K231 PolarHBondContact SG-N 3.35Å; C229-K231 VanDerWaalsContact SG-N 3.36Å; C229-C232 VanDerWaalsContact CB-SG 3.53Å; C229-C232 PolarHBondContact SG-N 3.04Å; C229-T233 WeakPolarHBondContact O-CA 3.22Å; C229-T233 PolarHBondContact O-N 2.93Å; C229-K234 PolarHBondContact N-O 2.86Å; C229-I236 HydrophobicContact CB-CD1 4.33Å; C229-I236 HydrophobicContact CB-CG1 4.24Å; C229-H251 CarbonylContact C-O 3.52Å; C229-H251 VanDerWaalsContact CA-O 3.27Å; C229-H251 WeakPolarHBondContact CA-O 3.38Å; C229-H253 VanDerWaalsContact CB-CE1 3.49Å; C229-H253 WeakPolarHBondContact CB-CE1 3.46Å; C229-H253 WeakPolarHBondContact CB-ND1 3.43Å; C229-C256 VanDerWaalsContact SG-CB 3.5Å
230	A	92.5	Very high	87.3	Confident	54 Å²	54	64.5 Å²	64.5	45%	0.446	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.5	179.6	0	0	0	0	0	113.8	H228 K250 H251 W252	H228-A230 PolarHBondContact O-N 2.78Å; A230-K250 HydrophobicContact CB-CB 4.3Å; A230-H251 PolarHBondContact N-O 3.36Å; A230-W252 HydrophobicContact CB-CD2 4.34Å; A230-W252 HydrophobicContact CB-CZ2 3.99Å
231	K	93.2	Very high	86	Confident	92 Å²	92	67.1 Å²	67.1	40%	0.4	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-54.5	174.3	-177.7	175.9	-177	173.9	0	112.9	C229 C256 Q263	C229-K231 PolarHBondContact O-N 3.22Å; C229-K231 PolarHBondContact SG-N 3.35Å; C229-K231 VanDerWaalsContact SG-N 3.36Å; K231-C256 HydrophobicContact CB-CB 4.09Å; K231-C256 HydrophobicContact CD-CB 4.14Å; K231-C256 WeakPolarHBondContact CD-O 3.45Å; K231-Q263 VanDerWaalsContact NZ-OE1 3.08Å
232	C	92.8	Very high	85	Confident	39 Å²	39	66.4 Å²	66.4	26%	0.264	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.1	-170.9	77.3	0	0	0	0	114.5	C229 K234 H253	C229-C232 VanDerWaalsContact CB-SG 3.53Å; C229-C232 PolarHBondContact SG-N 3.04Å; C232-K234 PolarHBondContact O-N 2.98Å; C232-H253 PolarHBondContact SG-CE1 2.99Å; C232-H253 PolarHBondContact SG-ND1 3.44Å
233	T	91.5	Very high	84.7	Confident	106 Å²	106	73.7 Å²	73.7	65%	0.65	43%	0.427	S	S	*	.			trans	57.6	-3.8	-177.1	70	0	0	0	0	116.3	H228 C229	H228-T233 PolarHBondContact CD2-O 3.19Å; C229-T233 WeakPolarHBondContact O-CA 3.22Å; C229-T233 PolarHBondContact O-N 2.93Å
234	K	90.2	Very high	84.8	Confident	146 Å²	146	72.3 Å²	72.3	64%	0.635	42%	0.42	S	S	*	.			trans	-71.6	148.9	176.4	-63.5	177.7	-177.7	-180	0	111.5	C229 C232	C229-K234 PolarHBondContact N-O 2.86Å; C232-K234 PolarHBondContact O-N 2.98Å
235	P	88.9	Confident	85	Confident	48 Å²	48	69.7 Å²	69.7	31%	0.312	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-54	140.9	172.4	-28.8	36.9	0	0	0	113.3	T222 A226 S237 H253	T222-P235 HydrophobicContact CG2-CB 3.55Å; T222-P235 HydrophobicContact CG2-CG 4.43Å; A226-P235 HydrophobicContact CB-CB 3.93Å; P235-S237 PolarHBondContact O-N 3.12Å; P235-H253 PolarHBondContact O-NE2 3.49Å; P235-H253 VanDerWaalsContact O-NE2 3.11Å
236	I	87.7	Confident	85.1	Confident	14 Å²	14	70.4 Å²	70.4	7%	0.072	42%	0.416	C	S	.	.			trans	-92.3	96.9	169.2	-59.3	171	0	0	0	107.5	K227 C229 G238 F244 H251	K227-I236 PolarHBondContact O-N 3.18Å; C229-I236 HydrophobicContact CB-CD1 4.33Å; C229-I236 HydrophobicContact CB-CG1 4.24Å; I236-G238 PolarHBondContact O-N 3.11Å; I236-F244 HydrophobicContact CD1-CB 4.37Å; I236-F244 HydrophobicContact CG2-CB 3.77Å; I236-F244 HydrophobicContact CG2-CD1 4.08Å; I236-F244 HydrophobicContact CG2-CG 3.96Å; I236-H251 HydrophobicContact CD1-CB 3.48Å; I236-H251 VanDerWaalsContact CD1-CB 3.48Å
237	S	79.1	Confident	85.4	Confident	46 Å²	46	73.2 Å²	73.2	32%	0.322	43%	0.426	S	S	.	.			trans	-69.5	109.8	179.4	57.3	0	0	0	0	110.4	P235 F239	P235-S237 PolarHBondContact O-N 3.12Å; S237-F239 PolarHBondContact O-N 3.42Å
238	G	72.9	Confident	85.4	Confident	63 Å²	63	74 Å²	74	65%	0.649	43%	0.431	S	S	*	.			trans	-66.4	-12.1	174.3	0	0	0	0	0	114.1	I236 G240	I236-G238 PolarHBondContact O-N 3.11Å; G238-G240 PolarHBondContact O-N 3.32Å
239	F	70.6	Confident	85.3	Confident	52 Å²	52	76 Å²	76	23%	0.228	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	119.7	178.2	-65.7	-82.1	0	0	0	111.2	K207 T209 A218 Y221 S237	K207-F239 HydrophobicContact CB-CD1 4.36Å; T209-F239 HydrophobicContact CG2-CE1 4.43Å; T209-F239 HydrophobicContact CG2-CE2 4.28Å; T209-F239 HydrophobicContact CG2-CZ 3.54Å; A218-F239 VanDerWaalsContact CA-CE2 3.49Å; A218-F239 HydrophobicContact CB-CB 4.34Å; A218-F239 HydrophobicContact CB-CD1 4Å; A218-F239 HydrophobicContact CB-CD2 3.68Å; A218-F239 HydrophobicContact CB-CE1 4.18Å; A218-F239 HydrophobicContact CB-CE2 3.88Å; A218-F239 HydrophobicContact CB-CG 3.73Å; A218-F239 HydrophobicContact CB-CZ 4.1Å; Y221-F239 AromaticContact CD1-CE2 3.77Å; Y221-F239 HydrophobicContact CD1-CE2 3.77Å; Y221-F239 HydrophobicContact CD1-CZ 4.35Å; Y221-F239 HydrophobicContact CG-CE2 4.18Å; Y221-F239 HydrophobicContact CG-CZ 4.48Å; S237-F239 PolarHBondContact O-N 3.42Å
240	G	67.7	Low	85.3	Confident	70 Å²	70	80.4 Å²	80.4	72%	0.722	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	9.6	176.4	0	0	0	0	0	115.6	G238 C242	G238-G240 PolarHBondContact O-N 3.32Å; G240-C242 VanDerWaalsContact C-N 3.29Å; G240-C242 PolarHBondContact O-N 2.87Å
241	G	68.2	Low	85.4	Confident	65 Å²	65	79.2 Å²	79.2	67%	0.67	45%	0.45	S	S	*	.			trans	70.8	24.1	175.6	0	0	0	0	0	113.9	K243	G241-K243 PolarHBondContact O-N 2.93Å; G241-K243 VanDerWaalsContact O-N 3.14Å
242	C	72.2	Confident	85.4	Confident	53 Å²	53	75.4 Å²	75.4	36%	0.358	43%	0.433	S	S	.	.			trans	-55	120.3	173.4	-174.2	0	0	0	0	109	G240	G240-C242 VanDerWaalsContact C-N 3.29Å; G240-C242 PolarHBondContact O-N 2.87Å
243	K	84.6	Confident	85.4	Confident	172 Å²	172	75 Å²	75	75%	0.748	43%	0.427	S	S	*	.			trans	-72.3	135.5	178.2	-64.5	-178.6	-178.5	178.7	0	109	G241 S254	G241-K243 PolarHBondContact O-N 2.93Å; G241-K243 VanDerWaalsContact O-N 3.14Å; K243-S254 VanDerWaalsContact CB-OG 3.23Å; K243-S254 WeakPolarHBondContact CB-OG 3.45Å; K243-S254 PolarHBondContact O-N 2.92Å; K243-S254 PolarHBondContact O-OG 3.37Å
244	F	91.2	Very high	85.5	Confident	106 Å²	106	71 Å²	71	47%	0.465	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.8	176.3	64.6	-85.2	0	0	0	109.7	I236 T246 W252	I236-F244 HydrophobicContact CD1-CB 4.37Å; I236-F244 HydrophobicContact CG2-CB 3.77Å; I236-F244 HydrophobicContact CG2-CD1 4.08Å; I236-F244 HydrophobicContact CG2-CG 3.96Å; F244-T246 WeakPolarHBondContact CD2-OG1 3.36Å; F244-T246 VanDerWaalsContact CE2-OG1 3.26Å; F244-T246 WeakPolarHBondContact CE2-OG1 3.07Å; F244-W252 CarbonylContact C-O 3.6Å; F244-W252 WeakPolarHBondContact CA-O 3.2Å; F244-W252 VanDerWaalsContact CB-O 3.22Å; F244-W252 WeakPolarHBondContact CB-O 3.4Å
245	V	93.4	Very high	85.6	Confident	27 Å²	27	70.8 Å²	70.8	16%	0.164	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	175.2	-178.4	0	0	0	0	107.6	H251 W252 F257 V267	V245-H251 CarbonylContact O-C 3.55Å; V245-H251 WeakPolarHBondContact O-CA 3.38Å; V245-W252 PolarHBondContact N-O 3.12Å; V245-W252 PolarHBondContact O-N 2.89Å; V245-F257 HydrophobicContact CB-CB 4.25Å; V245-F257 HydrophobicContact CB-CD1 4.2Å; V245-F257 HydrophobicContact CB-CD2 4.11Å; V245-F257 HydrophobicContact CB-CG 3.92Å; V245-F257 HydrophobicContact CG1-CD1 3.93Å; V245-F257 HydrophobicContact CG1-CD2 3.97Å; V245-F257 HydrophobicContact CG1-CE1 3.89Å; V245-F257 HydrophobicContact CG1-CE2 3.92Å; V245-F257 HydrophobicContact CG1-CG 3.98Å; V245-F257 HydrophobicContact CG1-CZ 3.89Å; V245-F257 HydrophobicContact CG2-CB 3.88Å; V245-F257 HydrophobicContact CG2-CD1 3.84Å; V245-F257 HydrophobicContact CG2-CG 3.82Å; V245-V267 HydrophobicContact CG2-CG2 4.04Å
246	T	91.4	Very high	85.9	Confident	70 Å²	70	69.5 Å²	69.5	43%	0.429	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.2	172.5	-59.1	0	0	0	0	108.9	F244 K250 H251	F244-T246 WeakPolarHBondContact CD2-OG1 3.36Å; F244-T246 VanDerWaalsContact CE2-OG1 3.26Å; F244-T246 WeakPolarHBondContact CE2-OG1 3.07Å; T246-K250 WeakPolarHBondContact CA-O 3.49Å; T246-H251 PolarHBondContact OG1-CD2 3.49Å
247	F	92.4	Very high	86.3	Confident	73 Å²	73	69 Å²	69	32%	0.32	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.2	169.8	179.3	-99	0	0	0	107.8	D249 K250 W252 F271 V273	F247-D249 PolarHBondContact O-N 2.86Å; F247-K250 PolarHBondContact N-O 3.26Å; F247-K250 PolarHBondContact O-N 3.09Å; F247-W252 HydrophobicContact CB-CH2 4.33Å; F247-W252 HydrophobicContact CB-CZ3 3.88Å; F247-F271 HydrophobicContact CB-CE2 4.42Å; F247-F271 HydrophobicContact CB-CZ 4.01Å; F247-F271 HydrophobicContact CD1-CE2 4.14Å; F247-F271 HydrophobicContact CD1-CZ 4.36Å; F247-F271 HydrophobicContact CD2-CE2 4.11Å; F247-F271 AromaticContact CD2-CZ 3.58Å; F247-F271 HydrophobicContact CD2-CZ 3.58Å; F247-F271 HydrophobicContact CE1-CE2 4.46Å; F247-F271 HydrophobicContact CE2-CE2 4.41Å; F247-F271 HydrophobicContact CE2-CZ 4.12Å; F247-F271 AromaticContact CG-CE2 3.94Å; F247-F271 HydrophobicContact CG-CE2 3.94Å; F247-F271 AromaticContact CG-CZ 3.71Å; F247-F271 HydrophobicContact CG-CZ 3.71Å; F247-V273 HydrophobicContact CD1-CG2 3.87Å; F247-V273 HydrophobicContact CE1-CG2 3.53Å; F247-V273 HydrophobicContact CZ-CG2 4.37Å
248	E	90.1	Very high	87.1	Confident	145 Å²	145	68.2 Å²	68.2	68%	0.678	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-129.7	-169.3	-58.4	175.5	161.7	0	0	110.6	K250	E248-K250 VanDerWaalsContact C-N 3.34Å
249	D	89.2	Confident	88.2	Confident	151 Å²	151	65.2 Å²	65.2	81%	0.807	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.4	176.5	-70.7	-44.1	0	0	0	113.7	F247 H251	F247-D249 PolarHBondContact O-N 2.86Å; D249-H251 PolarHBondContact O-CE1 3.17Å; D249-H251 PolarHBondContact O-ND1 2.98Å
250	K	92.5	Very high	89.4	Confident	97 Å²	97	64.7 Å²	64.7	42%	0.422	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.9	-176.9	-65.8	-177.6	-175.1	175.9	0	111.5	A230 T246 F247 E248 W252	A230-K250 HydrophobicContact CB-CB 4.3Å; T246-K250 WeakPolarHBondContact CA-O 3.49Å; F247-K250 PolarHBondContact N-O 3.26Å; F247-K250 PolarHBondContact O-N 3.09Å; E248-K250 VanDerWaalsContact C-N 3.34Å; K250-W252 HydrophobicContact CB-CE3 4.39Å; K250-W252 HydrophobicContact CB-CH2 3.2Å; K250-W252 HydrophobicContact CB-CZ2 3.8Å; K250-W252 HydrophobicContact CB-CZ3 3.53Å; K250-W252 HydrophobicContact CD-CH2 3.94Å; K250-W252 HydrophobicContact CD-CZ2 4.01Å; K250-W252 HydrophobicContact CG-CH2 4.2Å; K250-W252 WeakPolarHBondContact O-CZ3 3.48Å
251	H	93.2	Very high	90.7	Very high	29 Å²	29	68.1 Å²	68.1	13%	0.134	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144	-174.6	-56.5	66.4	0	0	0	109.6	K227 C229 A230 I236 V245 T246 D249	K227-H251 HydrophobicContact CB-CB 4.36Å; C229-H251 CarbonylContact C-O 3.52Å; C229-H251 VanDerWaalsContact CA-O 3.27Å; C229-H251 WeakPolarHBondContact CA-O 3.38Å; A230-H251 PolarHBondContact N-O 3.36Å; I236-H251 HydrophobicContact CD1-CB 3.48Å; I236-H251 VanDerWaalsContact CD1-CB 3.48Å; V245-H251 CarbonylContact O-C 3.55Å; V245-H251 WeakPolarHBondContact O-CA 3.38Å; T246-H251 PolarHBondContact OG1-CD2 3.49Å; D249-H251 PolarHBondContact O-CE1 3.17Å; D249-H251 PolarHBondContact O-ND1 2.98Å
252	W	93.9	Very high	92	Very high	11 Å²	11	67.2 Å²	67.2	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142	176.7	-61.5	-103.2	0	0	0	110.6	A230 F244 V245 F247 K250 C256 F257 V278	A230-W252 HydrophobicContact CB-CD2 4.34Å; A230-W252 HydrophobicContact CB-CZ2 3.99Å; F244-W252 CarbonylContact C-O 3.6Å; F244-W252 WeakPolarHBondContact CA-O 3.2Å; F244-W252 VanDerWaalsContact CB-O 3.22Å; F244-W252 WeakPolarHBondContact CB-O 3.4Å; V245-W252 PolarHBondContact N-O 3.12Å; V245-W252 PolarHBondContact O-N 2.89Å; F247-W252 HydrophobicContact CB-CH2 4.33Å; F247-W252 HydrophobicContact CB-CZ3 3.88Å; K250-W252 HydrophobicContact CB-CE3 4.39Å; K250-W252 HydrophobicContact CB-CH2 3.2Å; K250-W252 HydrophobicContact CB-CZ2 3.8Å; K250-W252 HydrophobicContact CB-CZ3 3.53Å; K250-W252 HydrophobicContact CD-CH2 3.94Å; K250-W252 HydrophobicContact CD-CZ2 4.01Å; K250-W252 HydrophobicContact CG-CH2 4.2Å; K250-W252 WeakPolarHBondContact O-CZ3 3.48Å; W252-C256 HydrophobicContact CB-CB 4.43Å; W252-F257 HydrophobicContact CB-CB 4.05Å; W252-F257 HydrophobicContact CB-CD2 3.97Å; W252-F257 HydrophobicContact CB-CG 4.47Å; W252-F257 AromaticContact CD2-CD2 3.69Å; W252-F257 HydrophobicContact CD2-CD2 3.69Å; W252-F257 HydrophobicContact CD2-CE2 4.03Å; W252-F257 AromaticContact CE3-CD2 3.92Å; W252-F257 HydrophobicContact CE3-CD2 3.92Å; W252-F257 AromaticContact CE3-CE2 3.95Å; W252-F257 HydrophobicContact CE3-CE2 3.95Å; W252-F257 AromaticContact CG-CD2 3.74Å; W252-F257 HydrophobicContact CG-CD2 3.74Å; W252-F257 HydrophobicContact CZ3-CE2 4.21Å; W252-V278 HydrophobicContact CH2-CG1 4.37Å; W252-V278 HydrophobicContact CZ2-CG1 3.99Å
253	H	93.1	Very high	93	Very high	30 Å²	30	69.7 Å²	69.7	14%	0.139	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	146.7	158.8	-53	102.8	0	0	0	108.6	C229 C232 P235 D255 C256 F257	C229-H253 VanDerWaalsContact CB-CE1 3.49Å; C229-H253 WeakPolarHBondContact CB-CE1 3.46Å; C229-H253 WeakPolarHBondContact CB-ND1 3.43Å; C232-H253 PolarHBondContact SG-CE1 2.99Å; C232-H253 PolarHBondContact SG-ND1 3.44Å; P235-H253 PolarHBondContact O-NE2 3.49Å; P235-H253 VanDerWaalsContact O-NE2 3.11Å; H253-D255 PolarHBondContact O-N 2.84Å; H253-C256 HydrophobicContact CB-CB 3.97Å; H253-C256 CarbonylContact O-C 3.58Å; H253-C256 WeakPolarHBondContact O-CA 3.27Å; H253-C256 WeakPolarHBondContact O-CB 3.37Å; H253-C256 PolarHBondContact O-N 2.83Å; H253-F257 PolarHBondContact O-N 3.18Å; H253-F257 VanDerWaalsContact O-N 3.12Å
254	S	93.2	Very high	93.6	Very high	23 Å²	23	65.7 Å²	65.7	16%	0.161	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-53.1	-39.3	176.6	-69.5	0	0	0	0	112.5	K243 C256 F257 V267	K243-S254 VanDerWaalsContact CB-OG 3.23Å; K243-S254 WeakPolarHBondContact CB-OG 3.45Å; K243-S254 PolarHBondContact O-N 2.92Å; K243-S254 PolarHBondContact O-OG 3.37Å; S254-C256 PolarHBondContact O-N 3.38Å; S254-F257 PolarHBondContact O-N 2.88Å; S254-V267 WeakPolarHBondContact O-CG2 3.49Å
255	D	93.1	Very high	93.8	Very high	141 Å²	141	63.1 Å²	63.1	75%	0.754	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72.6	-17.7	177.7	-56.2	-29.1	0	0	0	113.5	H253 N258	H253-D255 PolarHBondContact O-N 2.84Å; D255-N258 PolarHBondContact O-ND2 3.32Å
256	C	94.2	Very high	94	Very high	21 Å²	21	62 Å²	62	14%	0.142	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-92.3	-7.5	176	-73.3	0	0	0	0	112.6	C229 K231 W252 H253 S254 N258	C229-C256 VanDerWaalsContact SG-CB 3.5Å; K231-C256 HydrophobicContact CB-CB 4.09Å; K231-C256 HydrophobicContact CD-CB 4.14Å; K231-C256 WeakPolarHBondContact CD-O 3.45Å; W252-C256 HydrophobicContact CB-CB 4.43Å; H253-C256 HydrophobicContact CB-CB 3.97Å; H253-C256 CarbonylContact O-C 3.58Å; H253-C256 WeakPolarHBondContact O-CA 3.27Å; H253-C256 WeakPolarHBondContact O-CB 3.37Å; H253-C256 PolarHBondContact O-N 2.83Å; S254-C256 PolarHBondContact O-N 3.38Å; C256-N258 VanDerWaalsContact C-N 3.33Å; C256-N258 PolarHBondContact O-N 2.85Å; C256-N258 VanDerWaalsContact O-N 3.15Å
257	F	96.2	Very high	94.1	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	32%	0.32	C	S	.	.			trans	-91.7	68.5	-178.9	-162.7	-111.4	0	0	0	111.3	V245 W252 H253 S254 L266 V267 F271 V278	V245-F257 HydrophobicContact CB-CB 4.25Å; V245-F257 HydrophobicContact CB-CD1 4.2Å; V245-F257 HydrophobicContact CB-CD2 4.11Å; V245-F257 HydrophobicContact CB-CG 3.92Å; V245-F257 HydrophobicContact CG1-CD1 3.93Å; V245-F257 HydrophobicContact CG1-CD2 3.97Å; V245-F257 HydrophobicContact CG1-CE1 3.89Å; V245-F257 HydrophobicContact CG1-CE2 3.92Å; V245-F257 HydrophobicContact CG1-CG 3.98Å; V245-F257 HydrophobicContact CG1-CZ 3.89Å; V245-F257 HydrophobicContact CG2-CB 3.88Å; V245-F257 HydrophobicContact CG2-CD1 3.84Å; V245-F257 HydrophobicContact CG2-CG 3.82Å; W252-F257 HydrophobicContact CB-CB 4.05Å; W252-F257 HydrophobicContact CB-CD2 3.97Å; W252-F257 HydrophobicContact CB-CG 4.47Å; W252-F257 AromaticContact CD2-CD2 3.69Å; W252-F257 HydrophobicContact CD2-CD2 3.69Å; W252-F257 HydrophobicContact CD2-CE2 4.03Å; W252-F257 AromaticContact CE3-CD2 3.92Å; W252-F257 HydrophobicContact CE3-CD2 3.92Å; W252-F257 AromaticContact CE3-CE2 3.95Å; W252-F257 HydrophobicContact CE3-CE2 3.95Å; W252-F257 AromaticContact CG-CD2 3.74Å; W252-F257 HydrophobicContact CG-CD2 3.74Å; W252-F257 HydrophobicContact CZ3-CE2 4.21Å; H253-F257 PolarHBondContact O-N 3.18Å; H253-F257 VanDerWaalsContact O-N 3.12Å; S254-F257 PolarHBondContact O-N 2.88Å; F257-L266 HydrophobicContact CD1-CB 3.61Å; F257-L266 HydrophobicContact CE1-CB 3.47Å; F257-L266 VanDerWaalsContact CE1-CB 3.47Å; F257-L266 WeakPolarHBondContact CE1-O 3.29Å; F257-L266 HydrophobicContact CZ-CB 4.32Å; F257-L266 PolarHBondContact O-N 3.42Å; F257-V267 HydrophobicContact CB-CG2 4.18Å; F257-V267 HydrophobicContact CD1-CG2 4.28Å; F257-F271 AromaticContact CE1-CD1 3.97Å; F257-F271 HydrophobicContact CE1-CD1 3.97Å; F257-F271 HydrophobicContact CE1-CE1 4.17Å; F257-F271 HydrophobicContact CE1-CG 4.43Å; F257-F271 AromaticContact CZ-CD1 3.65Å; F257-F271 HydrophobicContact CZ-CD1 3.65Å; F257-F271 HydrophobicContact CZ-CD2 4.06Å; F257-F271 AromaticContact CZ-CE1 3.67Å; F257-F271 HydrophobicContact CZ-CE1 3.67Å; F257-F271 HydrophobicContact CZ-CE2 4.07Å; F257-F271 AromaticContact CZ-CG 3.86Å; F257-F271 HydrophobicContact CZ-CG 3.86Å; F257-F271 AromaticContact CZ-CZ 3.88Å; F257-F271 HydrophobicContact CZ-CZ 3.88Å; F257-V278 HydrophobicContact CD2-CG2 4.12Å; F257-V278 HydrophobicContact CE2-CB 4.31Å; F257-V278 HydrophobicContact CE2-CG1 3.9Å; F257-V278 HydrophobicContact CE2-CG2 3.88Å; F257-V278 HydrophobicContact CZ-CG1 4.42Å; F257-V278 HydrophobicContact CZ-CG2 4.43Å
258	N	96.5	Very high	94.2	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.16	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-122.8	149.9	-177.6	-55.5	-22.4	0	0	0	110.5	D255 C256 S260 Q263 N264 S265	D255-N258 PolarHBondContact O-ND2 3.32Å; C256-N258 VanDerWaalsContact C-N 3.33Å; C256-N258 PolarHBondContact O-N 2.85Å; C256-N258 VanDerWaalsContact O-N 3.15Å; N258-S260 PolarHBondContact O-N 3.25Å; N258-Q263 WeakPolarHBondContact CB-O 3.27Å; N258-N264 CarbonylContact C-O 3.33Å; N258-N264 VanDerWaalsContact CA-O 3.27Å; N258-N264 WeakPolarHBondContact CA-O 3.13Å; N258-S265 VanDerWaalsContact OD1-CA 3.28Å; N258-S265 WeakPolarHBondContact OD1-CA 3.26Å
259	C	96.5	Very high	94.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.			trans	-55.7	128.8	174.9	176.3	0	0	0	0	110.9	K261 C262 Q263 N264 L266 V278 C280	C259-K261 PolarHBondContact O-N 3.15Å; C259-K261 PolarHBondContact SG-N 2.78Å; C259-K261 VanDerWaalsContact SG-N 3.43Å; C259-C262 WeakPolarHBondContact CB-SG 3.2Å; C259-C262 VanDerWaalsContact SG-SG 3.61Å; C259-Q263 WeakPolarHBondContact O-CA 3.01Å; C259-Q263 PolarHBondContact O-N 3.18Å; C259-N264 PolarHBondContact N-O 3.18Å; C259-L266 HydrophobicContact CB-CD1 4.18Å; C259-L266 HydrophobicContact CB-CD2 4.18Å; C259-L266 HydrophobicContact CB-CG 4.31Å; C259-V278 CarbonylContact C-O 3.58Å; C259-V278 VanDerWaalsContact CA-O 3.32Å; C259-V278 WeakPolarHBondContact CA-O 3.48Å; C259-C280 HydrophobicContact CB-CB 4.39Å; C259-C280 PolarHBondContact SG-N 2.8Å; C259-C280 VanDerWaalsContact SG-N 3.39Å
260	S	94.4	Very high	94.6	Very high	42 Å²	42	56.8 Å²	56.8	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.2	179	57.9	0	0	0	0	113.2	N258 Q263 D276 V278 V279	N258-S260 PolarHBondContact O-N 3.25Å; S260-Q263 PolarHBondContact O-NE2 3.46Å; S260-D276 WeakPolarHBondContact CB-O 3.49Å; S260-V278 PolarHBondContact N-O 2.92Å; S260-V279 WeakPolarHBondContact OG-CG1 3.36Å
261	K	94.4	Very high	94.8	Very high	142 Å²	142	54.9 Å²	54.9	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-50.1	179.6	-58.9	-163.7	-168.3	169.3	0	114	C259 V279 C283	C259-K261 PolarHBondContact O-N 3.15Å; C259-K261 PolarHBondContact SG-N 2.78Å; C259-K261 VanDerWaalsContact SG-N 3.43Å; K261-V279 HydrophobicContact CG-CG1 4.23Å; K261-C283 HydrophobicContact CB-CB 3.99Å; K261-C283 HydrophobicContact CD-CB 4.03Å; K261-C283 WeakPolarHBondContact CE-O 3.48Å; K261-C283 HydrophobicContact CG-CB 4.35Å; K261-C283 PolarHBondContact NZ-O 3.1Å
262	C	95.5	Very high	94.8	Very high	45 Å²	45	57.8 Å²	57.8	30%	0.304	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-3.1	-173.8	70.2	0	0	0	0	115.3	C259 N264	C259-C262 WeakPolarHBondContact CB-SG 3.2Å; C259-C262 VanDerWaalsContact SG-SG 3.61Å; C262-N264 PolarHBondContact O-N 3.36Å
263	Q	95.3	Very high	94.7	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.491	35%	0.354	S	S	.	.			trans	59.4	5.7	-177.8	-55.6	-59.4	-39.9	0	0	116.1	K231 N258 C259 S260 S265	K231-Q263 VanDerWaalsContact NZ-OE1 3.08Å; N258-Q263 WeakPolarHBondContact CB-O 3.27Å; C259-Q263 WeakPolarHBondContact O-CA 3.01Å; C259-Q263 PolarHBondContact O-N 3.18Å; S260-Q263 PolarHBondContact O-NE2 3.46Å; Q263-S265 PolarHBondContact O-N 2.84Å
264	N	96	Very high	94.4	Very high	88 Å²	88	60.9 Å²	60.9	47%	0.471	36%	0.361	S	S	.	.			trans	-62.6	136.5	171.9	-75.2	-23.7	0	0	0	110.9	N258 C259 C262 L266	N258-N264 CarbonylContact C-O 3.33Å; N258-N264 VanDerWaalsContact CA-O 3.27Å; N258-N264 WeakPolarHBondContact CA-O 3.13Å; C259-N264 PolarHBondContact N-O 3.18Å; C262-N264 PolarHBondContact O-N 3.36Å; N264-L266 PolarHBondContact O-N 3.4Å
265	S	96	Very high	93.9	Very high	53 Å²	53	68.1 Å²	68.1	37%	0.371	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-61.1	130.9	173.1	-174.9	0	0	0	0	111	N258 Q263 V267 K269	N258-S265 VanDerWaalsContact OD1-CA 3.28Å; N258-S265 WeakPolarHBondContact OD1-CA 3.26Å; Q263-S265 PolarHBondContact O-N 2.84Å; S265-V267 WeakPolarHBondContact OG-CG2 3.46Å; S265-V267 PolarHBondContact OG-N 3.39Å; S265-K269 WeakPolarHBondContact O-CD 3.32Å; S265-K269 PolarHBondContact O-NZ 2.92Å; S265-K269 VanDerWaalsContact O-NZ 3.09Å
266	L	96.6	Very high	93.5	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.016	40%	0.399	C	S	.	.			trans	-100.7	3.4	178.3	-59	179.2	0	0	0	112	F257 C259 N264 G268 K269 F271 V278 C280	F257-L266 HydrophobicContact CD1-CB 3.61Å; F257-L266 HydrophobicContact CE1-CB 3.47Å; F257-L266 VanDerWaalsContact CE1-CB 3.47Å; F257-L266 WeakPolarHBondContact CE1-O 3.29Å; F257-L266 HydrophobicContact CZ-CB 4.32Å; F257-L266 PolarHBondContact O-N 3.42Å; C259-L266 HydrophobicContact CB-CD1 4.18Å; C259-L266 HydrophobicContact CB-CD2 4.18Å; C259-L266 HydrophobicContact CB-CG 4.31Å; N264-L266 PolarHBondContact O-N 3.4Å; L266-G268 PolarHBondContact O-N 3Å; L266-K269 PolarHBondContact O-N 3.43Å; L266-F271 HydrophobicContact CD1-CB 3.86Å; L266-V278 HydrophobicContact CD1-CB 4.01Å; L266-V278 HydrophobicContact CD1-CG2 3.71Å; L266-C280 HydrophobicContact CD2-CB 3.66Å
267	V	94.7	Very high	93.3	Very high	63 Å²	63	68.5 Å²	68.5	38%	0.382	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	122	177.8	178.1	0	0	0	0	109.1	V245 S254 F257 S265 K269	V245-V267 HydrophobicContact CG2-CG2 4.04Å; S254-V267 WeakPolarHBondContact O-CG2 3.49Å; F257-V267 HydrophobicContact CB-CG2 4.18Å; F257-V267 HydrophobicContact CD1-CG2 4.28Å; S265-V267 WeakPolarHBondContact OG-CG2 3.46Å; S265-V267 PolarHBondContact OG-N 3.39Å; V267-K269 PolarHBondContact O-N 2.87Å
268	G	93.5	Very high	93.2	Very high	89 Å²	89	68.7 Å²	68.7	92%	0.918	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	10.9	-177.7	0	0	0	0	0	115.1	L266	L266-G268 PolarHBondContact O-N 3Å
269	K	94.6	Very high	93.2	Very high	126 Å²	126	67.6 Å²	67.6	55%	0.548	40%	0.4	S	S	.	.	S	Bend	trans	-116.1	159.3	178.4	-59.9	-178.6	-172.7	164.9	0	111	S265 L266 V267	S265-K269 WeakPolarHBondContact O-CD 3.32Å; S265-K269 PolarHBondContact O-NZ 2.92Å; S265-K269 VanDerWaalsContact O-NZ 3.09Å; L266-K269 PolarHBondContact O-N 3.43Å; V267-K269 PolarHBondContact O-N 2.87Å
270	G	93.9	Very high	93.2	Very high	52 Å²	52	68.1 Å²	68.1	54%	0.536	40%	0.403	S	S	.	.			trans	-65	145.6	169.2	0	0	0	0	0	111.5	P281	G270-P281 VanDerWaalsContact O-CD 3.29Å; G270-P281 WeakPolarHBondContact O-CD 3.19Å
271	F	96	Very high	93.2	Very high	57 Å²	57	69 Å²	69	25%	0.25	41%	0.408	C	S	.	.			trans	-148.8	163	179.3	63.9	-86.2	0	0	0	110.4	F247 F257 L266 V273 V278 V279	F247-F271 HydrophobicContact CB-CE2 4.42Å; F247-F271 HydrophobicContact CB-CZ 4.01Å; F247-F271 HydrophobicContact CD1-CE2 4.14Å; F247-F271 HydrophobicContact CD1-CZ 4.36Å; F247-F271 HydrophobicContact CD2-CE2 4.11Å; F247-F271 AromaticContact CD2-CZ 3.58Å; F247-F271 HydrophobicContact CD2-CZ 3.58Å; F247-F271 HydrophobicContact CE1-CE2 4.46Å; F247-F271 HydrophobicContact CE2-CE2 4.41Å; F247-F271 HydrophobicContact CE2-CZ 4.12Å; F247-F271 AromaticContact CG-CE2 3.94Å; F247-F271 HydrophobicContact CG-CE2 3.94Å; F247-F271 AromaticContact CG-CZ 3.71Å; F247-F271 HydrophobicContact CG-CZ 3.71Å; F257-F271 AromaticContact CE1-CD1 3.97Å; F257-F271 HydrophobicContact CE1-CD1 3.97Å; F257-F271 HydrophobicContact CE1-CE1 4.17Å; F257-F271 HydrophobicContact CE1-CG 4.43Å; F257-F271 AromaticContact CZ-CD1 3.65Å; F257-F271 HydrophobicContact CZ-CD1 3.65Å; F257-F271 HydrophobicContact CZ-CD2 4.06Å; F257-F271 AromaticContact CZ-CE1 3.67Å; F257-F271 HydrophobicContact CZ-CE1 3.67Å; F257-F271 HydrophobicContact CZ-CE2 4.07Å; F257-F271 AromaticContact CZ-CG 3.86Å; F257-F271 HydrophobicContact CZ-CG 3.86Å; F257-F271 AromaticContact CZ-CZ 3.88Å; F257-F271 HydrophobicContact CZ-CZ 3.88Å; L266-F271 HydrophobicContact CD1-CB 3.86Å; F271-V273 HydrophobicContact CD2-CG2 4.36Å; F271-V273 HydrophobicContact CE2-CG2 4.04Å; F271-V278 HydrophobicContact CD2-CB 4.31Å; F271-V278 HydrophobicContact CD2-CG1 3.96Å; F271-V278 HydrophobicContact CE2-CG1 4.3Å; F271-V279 CarbonylContact C-O 3.58Å; F271-V279 WeakPolarHBondContact CA-O 3.33Å
272	L	94.2	Very high	93.3	Very high	89 Å²	89	69.2 Å²	69.2	47%	0.466	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.5	170.1	-63	128.9	0	0	0	109	V278 V279 A284	L272-V278 WeakPolarHBondContact O-CA 3.37Å; L272-V279 HydrophobicContact CB-CG2 4Å; L272-V279 PolarHBondContact N-O 2.94Å; L272-V279 PolarHBondContact O-N 2.99Å; L272-A284 HydrophobicContact CD1-CB 3.36Å
273	V	91.3	Very high	93.3	Very high	67 Å²	67	68.4 Å²	68.4	41%	0.406	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.7	173.7	-177.3	0	0	0	0	108.5	F247 F271	F247-V273 HydrophobicContact CD1-CG2 3.87Å; F247-V273 HydrophobicContact CE1-CG2 3.53Å; F247-V273 HydrophobicContact CZ-CG2 4.37Å; F271-V273 HydrophobicContact CD2-CG2 4.36Å; F271-V273 HydrophobicContact CE2-CG2 4.04Å
274	S	87.1	Confident	93	Very high	40 Å²	40	65.7 Å²	65.7	28%	0.28	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	169.7	175	58.7	0	0	0	0	109.9	D276 G277	S274-D276 PolarHBondContact O-N 3.38Å; S274-G277 PolarHBondContact N-O 3.1Å; S274-G277 PolarHBondContact O-N 3.17Å; S274-G277 VanDerWaalsContact O-N 3.1Å; S274-G277 PolarHBondContact OG-O 3.19Å; S274-G277 VanDerWaalsContact OG-O 3.09Å
275	D	82.8	Confident	92.6	Very high	174 Å²	174	74.1 Å²	74.1	93%	0.93	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.5	175.4	-65	-27.4	0	0	0	112.1	G277	D275-G277 PolarHBondContact O-N 3.19Å
276	D	83.8	Confident	92.5	Very high	145 Å²	145	75.2 Å²	75.2	78%	0.775	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	14.8	178.9	-59.3	-45.4	0	0	0	114.3	S260 S274	S260-D276 WeakPolarHBondContact CB-O 3.49Å; S274-D276 PolarHBondContact O-N 3.38Å
277	G	89.6	Confident	92.2	Very high	25 Å²	25	79 Å²	79	26%	0.258	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-134.8	178.7	0	0	0	0	0	114	S274 D275	S274-G277 PolarHBondContact N-O 3.1Å; S274-G277 PolarHBondContact O-N 3.17Å; S274-G277 VanDerWaalsContact O-N 3.1Å; S274-G277 PolarHBondContact OG-O 3.19Å; S274-G277 VanDerWaalsContact OG-O 3.09Å; D275-G277 PolarHBondContact O-N 3.19Å
278	V	95	Very high	92.1	Very high	7 Å²	7	79.9 Å²	79.9	4%	0.042	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.3	-178.8	-67	0	0	0	0	111.3	W252 F257 C259 S260 L266 F271 L272	W252-V278 HydrophobicContact CH2-CG1 4.37Å; W252-V278 HydrophobicContact CZ2-CG1 3.99Å; F257-V278 HydrophobicContact CD2-CG2 4.12Å; F257-V278 HydrophobicContact CE2-CB 4.31Å; F257-V278 HydrophobicContact CE2-CG1 3.9Å; F257-V278 HydrophobicContact CE2-CG2 3.88Å; F257-V278 HydrophobicContact CZ-CG1 4.42Å; F257-V278 HydrophobicContact CZ-CG2 4.43Å; C259-V278 CarbonylContact C-O 3.58Å; C259-V278 VanDerWaalsContact CA-O 3.32Å; C259-V278 WeakPolarHBondContact CA-O 3.48Å; S260-V278 PolarHBondContact N-O 2.92Å; L266-V278 HydrophobicContact CD1-CB 4.01Å; L266-V278 HydrophobicContact CD1-CG2 3.71Å; F271-V278 HydrophobicContact CD2-CB 4.31Å; F271-V278 HydrophobicContact CD2-CG1 3.96Å; F271-V278 HydrophobicContact CE2-CG1 4.3Å; L272-V278 WeakPolarHBondContact O-CA 3.37Å
279	V	96	Very high	92	Very high	8 Å²	8	79.4 Å²	79.4	5%	0.048	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.3	-179.9	-67.7	0	0	0	0	111.9	S260 K261 F271 L272 A284	S260-V279 WeakPolarHBondContact OG-CG1 3.36Å; K261-V279 HydrophobicContact CG-CG1 4.23Å; F271-V279 CarbonylContact C-O 3.58Å; F271-V279 WeakPolarHBondContact CA-O 3.33Å; L272-V279 HydrophobicContact CB-CG2 4Å; L272-V279 PolarHBondContact N-O 2.94Å; L272-V279 PolarHBondContact O-N 2.99Å; V279-A284 HydrophobicContact CG2-CB 3.98Å
280	C	96.6	Very high	91.9	Very high	10 Å²	10	76.4 Å²	76.4	7%	0.068	42%	0.421	C	S	.	.			trans	-72.3	157	170	64.4	0	0	0	0	110.6	C259 L266 E282 C283 A284	C259-C280 HydrophobicContact CB-CB 4.39Å; C259-C280 PolarHBondContact SG-N 2.8Å; C259-C280 VanDerWaalsContact SG-N 3.39Å; L266-C280 HydrophobicContact CD2-CB 3.66Å; C280-E282 PolarHBondContact O-N 2.84Å; C280-C283 PolarHBondContact O-N 3.26Å; C280-C283 VanDerWaalsContact O-N 3.1Å; C280-C283 VanDerWaalsContact SG-CB 3.55Å; C280-C283 PolarHBondContact SG-N 3.09Å; C280-C283 VanDerWaalsContact SG-N 3.42Å; C280-A284 PolarHBondContact O-N 3.3Å
281	P	95.2	Very high	91.7	Very high	60 Å²	60	78.1 Å²	78.1	39%	0.39	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.7	175.6	-27.4	35.5	0	0	0	114.4	G270 R285	G270-P281 VanDerWaalsContact O-CD 3.29Å; G270-P281 WeakPolarHBondContact O-CD 3.19Å; P281-R285 WeakPolarHBondContact O-CG 3.45Å
282	E	95	Very high	91.4	Very high	148 Å²	148	79.6 Å²	79.6	69%	0.692	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.1	178.3	-63.1	170.9	172.5	0	0	112.3	C280	C280-E282 PolarHBondContact O-N 2.84Å
283	C	95.1	Very high	91.2	Very high	27 Å²	27	78.8 Å²	78.8	18%	0.182	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.8	179.8	-77.1	0	0	0	0	113.8	K261 C280	K261-C283 HydrophobicContact CB-CB 3.99Å; K261-C283 HydrophobicContact CD-CB 4.03Å; K261-C283 WeakPolarHBondContact CE-O 3.48Å; K261-C283 HydrophobicContact CG-CB 4.35Å; K261-C283 PolarHBondContact NZ-O 3.1Å; C280-C283 PolarHBondContact O-N 3.26Å; C280-C283 VanDerWaalsContact O-N 3.1Å; C280-C283 VanDerWaalsContact SG-CB 3.55Å; C280-C283 PolarHBondContact SG-N 3.09Å; C280-C283 VanDerWaalsContact SG-N 3.42Å
284	A	90.2	Very high	91.2	Very high	49 Å²	49	79.8 Å²	79.8	41%	0.405	42%	0.423	S	S	.	.			trans	-95.2	-9.9	178.7	0	0	0	0	0	113.6	L272 V279 C280	L272-A284 HydrophobicContact CD1-CB 3.36Å; V279-A284 HydrophobicContact CG2-CB 3.98Å; C280-A284 PolarHBondContact O-N 3.3Å
285	R	88	Confident	91.6	Very high	265 Å²	265	83.5 Å²	83.5	100%	1	44%	0.436	S	S	*	.			trans	-74.3	0	168.4	-68.2	169.7	-176.6	-88.3	1.6	110.1	P281	P281-R285 WeakPolarHBondContact O-CG 3.45Å

Retrieved 285 of 285 residues in 455.1 ms (Link to these results)

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