A0A061IE08_CRIGR Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A061IE08, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ca13, Length 262 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	36.9	Very low	75.2	Confident	239 Å²	239	111.5 Å²	111.5	100%	1.177	58%	0.578	S	S	*	*				0	117.5	0	-73.1	174.4	-172.9	0	0	107.1	R3	M1-R3 PolarHBondContact O-N 3.1Å
2	A	38.7	Very low	76.6	Confident	100 Å²	100	106.7 Å²	106.7	83%	0.826	55%	0.554	S	S	*	*			trans	-59.7	125.9	171.6	0	0	0	0	0	107.6	L4	A2-L4 PolarHBondContact O-N 3.23Å; A2-L4 VanDerWaalsContact O-N 3.16Å
3	R	52.5	Low	78	Confident	241 Å²	241	98.8 Å²	98.8	91%	0.909	51%	0.514	S	S	*	.			trans	-59.3	121.5	172.7	-82.8	179.3	171.4	178.7	-3.1	106.7	M1 S5	M1-R3 PolarHBondContact O-N 3.1Å; R3-S5 PolarHBondContact O-N 3.35Å
4	L	63.5	Low	79.3	Confident	112 Å²	112	94 Å²	94	59%	0.586	49%	0.492	S	S	*	.			trans	-53.8	103.2	168.1	-76.7	153.3	0	0	0	107.3	A2 F20	A2-L4 PolarHBondContact O-N 3.23Å; A2-L4 VanDerWaalsContact O-N 3.16Å; L4-F20 HydrophobicContact CD2-CB 3.69Å; L4-F20 HydrophobicContact CD2-CD1 3.37Å; L4-F20 HydrophobicContact CD2-CE1 4.22Å; L4-F20 HydrophobicContact CD2-CG 3.7Å
5	S	80.8	Confident	80.3	Confident	80 Å²	80	96.9 Å²	96.9	56%	0.559	51%	0.506	S	S	*	.			trans	-109.5	106.1	-176.6	-169.6	0	0	0	0	108.4	R3	R3-S5 PolarHBondContact O-N 3.35Å
6	W	93.3	Very high	81.3	Confident	44 Å²	44	94.1 Å²	94.1	17%	0.167	49%	0.49	C	S	.	.			trans	-101.3	162.1	167.9	67	-90.2	0	0	0	109.5	Y8 W17 F21 H65 V201 P202	W6-Y8 AromaticContact CZ3-CE2 3.9Å; W6-Y8 HydrophobicContact CZ3-CE2 3.9Å; W6-Y8 AromaticContact CZ3-CZ 3.98Å; W6-W17 AromaticContact CE3-CE2 3.83Å; W6-W17 HydrophobicContact CE3-CH2 4.27Å; W6-W17 AromaticContact CE3-CZ2 3.49Å; W6-W17 HydrophobicContact CE3-CZ2 3.49Å; W6-W17 VanDerWaalsContact CE3-CZ2 3.49Å; W6-W17 HydrophobicContact CZ3-CH2 4.17Å; W6-W17 AromaticContact CZ3-CZ2 3.75Å; W6-W17 HydrophobicContact CZ3-CZ2 3.75Å; W6-F21 HydrophobicContact CB-CE2 4.46Å; W6-H65 AromaticContact CE3-ND1 3.99Å; W6-H65 HydrophobicContact CH2-CB 3.74Å; W6-H65 AromaticContact CH2-CD2 3.93Å; W6-H65 AromaticContact CH2-CG 3.47Å; W6-H65 VanDerWaalsContact CH2-CG 3.47Å; W6-H65 AromaticContact CH2-ND1 3.67Å; W6-H65 HydrophobicContact CZ2-CB 4.42Å; W6-H65 AromaticContact CZ2-CD2 3.78Å; W6-H65 AromaticContact CZ2-CG 3.82Å; W6-H65 HydrophobicContact CZ3-CB 4.28Å; W6-H65 AromaticContact CZ3-CG 3.92Å; W6-H65 AromaticContact CZ3-ND1 3.64Å; W6-H65 PolarHBondContact O-CE1 3.04Å; W6-V201 HydrophobicContact CH2-CB 3.56Å; W6-V201 HydrophobicContact CH2-CG1 3.75Å; W6-V201 HydrophobicContact CH2-CG2 4.43Å; W6-V201 HydrophobicContact CZ2-CB 4.07Å; W6-V201 HydrophobicContact CZ3-CB 4.14Å; W6-V201 HydrophobicContact CZ3-CG1 4.14Å; W6-P202 HydrophobicContact CB-CG 4.06Å; W6-P202 HydrophobicContact CD2-CB 4.08Å; W6-P202 HydrophobicContact CD2-CG 3.59Å; W6-P202 HydrophobicContact CE3-CG 4.01Å; W6-P202 HydrophobicContact CG-CB 3.97Å; W6-P202 HydrophobicContact CG-CG 3.61Å
7	G	94	Very high	82.1	Confident	7 Å²	7	88.7 Å²	88.7	7%	0.072	46%	0.462	C	S	.	.			trans	-169.1	-150.7	176.9	0	0	0	0	0	110.5	N12 G13 W17	G7-N12 CarbonylContact C-O 3.14Å; G7-N12 PolarHBondContact N-O 3.3Å; G7-N12 VanDerWaalsContact O-O 3.05Å; G7-G13 WeakPolarHBondContact O-CA 3.43Å; G7-W17 WeakPolarHBondContact O-CZ2 3.42Å; G7-W17 PolarHBondContact O-NE1 2.85Å; G7-W17 VanDerWaalsContact O-NE1 3.15Å
8	Y	95.1	Very high	82.8	Confident	49 Å²	49	87 Å²	87	19%	0.192	45%	0.453	C	S	.	.	S	Bend	trans	-125.8	13.1	177.5	-60.6	-84.1	0	0	0	112	W6 P14 W17 H65 V201 N245	W6-Y8 AromaticContact CZ3-CE2 3.9Å; W6-Y8 HydrophobicContact CZ3-CE2 3.9Å; W6-Y8 AromaticContact CZ3-CZ 3.98Å; Y8-P14 HydrophobicContact CD1-CG 4.12Å; Y8-P14 HydrophobicContact CE1-CG 4.38Å; Y8-W17 HydrophobicContact CD1-CZ2 4.23Å; Y8-W17 AromaticContact CE1-CH2 3.74Å; Y8-W17 HydrophobicContact CE1-CH2 3.74Å; Y8-W17 AromaticContact CE1-CZ2 3.8Å; Y8-W17 HydrophobicContact CE1-CZ2 3.8Å; Y8-H65 HydrophobicContact CE2-CB 4.47Å; Y8-V201 WeakPolarHBondContact OH-CG1 3.48Å; Y8-N245 HydrophobicContact CD2-CB 3.87Å; Y8-N245 VanDerWaalsContact CE1-C 3.41Å; Y8-N245 HydrophobicContact CE2-CB 3.58Å; Y8-N245 VanDerWaalsContact CZ-C 3.41Å; Y8-N245 PolarHBondContact OH-O 2.58Å; Y8-N245 VanDerWaalsContact OH-O 3.08Å
9	G	91.3	Very high	83.4	Confident	39 Å²	39	88.8 Å²	88.8	40%	0.402	46%	0.459	S	S	.	.	S	Bend	trans	-82.5	173.4	177.1	0	0	0	0	0	112	H11 N12 G13	G9-H11 VanDerWaalsContact C-N 3.27Å; G9-H11 PolarHBondContact O-N 3.14Å; G9-N12 WeakPolarHBondContact CA-OD1 3.42Å; G9-N12 PolarHBondContact N-OD1 3.37Å; G9-N12 PolarHBondContact O-N 3.39Å; G9-G13 VanDerWaalsContact O-CA 3.26Å; G9-G13 WeakPolarHBondContact O-CA 3.24Å; G9-G13 PolarHBondContact O-N 3.17Å
10	E	89.6	Confident	83.8	Confident	161 Å²	161	90.3 Å²	90.3	75%	0.752	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.8	-176.3	-171.1	178.5	165.5	0	0	113.4	H16	E10-H16 PolarHBondContact O-CD2 3.05Å; E10-H16 PolarHBondContact O-NE2 3.37Å; E10-H16 VanDerWaalsContact O-NE2 3.14Å
11	H	91.3	Very high	84.4	Confident	155 Å²	155	87.8 Å²	87.8	72%	0.718	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-2.7	-173	-52.3	-44.9	0	0	0	114.8	G9	G9-H11 VanDerWaalsContact C-N 3.27Å; G9-H11 PolarHBondContact O-N 3.14Å
12	N	92.4	Very high	87.1	Confident	53 Å²	53	81.3 Å²	81.3	28%	0.283	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	11.9	-178.4	68.7	4.9	0	0	0	113.3	G7 G9 W17	G7-N12 CarbonylContact C-O 3.14Å; G7-N12 PolarHBondContact N-O 3.3Å; G7-N12 VanDerWaalsContact O-O 3.05Å; G9-N12 WeakPolarHBondContact CA-OD1 3.42Å; G9-N12 PolarHBondContact N-OD1 3.37Å; G9-N12 PolarHBondContact O-N 3.39Å; N12-W17 PolarHBondContact O-NE1 2.94Å
13	G	95.3	Very high	89.9	Confident	4 Å²	4	79.7 Å²	79.7	4%	0.041	40%	0.401	C	S	.	.	S	Bend	trans	-74.4	178.4	-178.6	0	0	0	0	0	114.1	G7 G9 I15 H16 W17	G7-G13 WeakPolarHBondContact O-CA 3.43Å; G9-G13 VanDerWaalsContact O-CA 3.26Å; G9-G13 WeakPolarHBondContact O-CA 3.24Å; G9-G13 PolarHBondContact O-N 3.17Å; G13-I15 PolarHBondContact O-N 2.87Å; G13-H16 WeakPolarHBondContact O-CB 3.2Å; G13-H16 PolarHBondContact O-N 3.14Å; G13-W17 VanDerWaalsContact C-NE1 3.32Å; G13-W17 PolarHBondContact O-NE1 2.99Å
14	P	96.1	Very high	92	Very high	32 Å²	32	68.3 Å²	68.3	21%	0.208	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-49.4	-34.4	-175.8	-32.9	37	0	0	0	116.6	Y8 H16 W17 R247	Y8-P14 HydrophobicContact CD1-CG 4.12Å; Y8-P14 HydrophobicContact CE1-CG 4.38Å; P14-H16 PolarHBondContact O-N 3.39Å; P14-W17 HydrophobicContact CB-CD2 4.33Å; P14-W17 HydrophobicContact CB-CE3 4.29Å; P14-W17 HydrophobicContact CB-CZ2 4.49Å; P14-W17 HydrophobicContact CB-CZ3 4.39Å; P14-W17 HydrophobicContact CG-CH2 3.95Å; P14-W17 HydrophobicContact CG-CZ2 3.84Å; P14-W17 HydrophobicContact CG-CZ3 4.3Å; P14-W17 PolarHBondContact O-N 3.38Å; P14-R247 HydrophobicContact CB-CG 4.09Å; P14-R247 HydrophobicContact CG-CG 4.27Å
15	I	94.7	Very high	93.5	Very high	137 Å²	137	67.9 Å²	67.9	70%	0.703	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.3	178.8	-166.5	168.5	0	0	0	113.2	G13	G13-I15 PolarHBondContact O-N 2.87Å
16	H	95.3	Very high	94.2	Very high	52 Å²	52	64.9 Å²	64.9	24%	0.241	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-101.1	-6.4	-180	-63.3	-66.8	0	0	0	113.2	E10 G13 P14 N18 E19	E10-H16 PolarHBondContact O-CD2 3.05Å; E10-H16 PolarHBondContact O-NE2 3.37Å; E10-H16 VanDerWaalsContact O-NE2 3.14Å; G13-H16 WeakPolarHBondContact O-CB 3.2Å; G13-H16 PolarHBondContact O-N 3.14Å; P14-H16 PolarHBondContact O-N 3.39Å; H16-N18 VanDerWaalsContact C-N 3.26Å; H16-N18 PolarHBondContact O-N 3.21Å; H16-E19 IonicContact CE1-OE1 2.78Å; H16-E19 IonicContact CG-OE1 2.79Å; H16-E19 IonicContact ND1-OE1 3.68Å; H16-E19 PolarHBondContact ND1-OE1 2.8Å; H16-E19 WeakPolarHBondContact O-CB 3.45Å; H16-E19 WeakPolarHBondContact O-CG 3.5Å; H16-E19 PolarHBondContact O-N 3.12Å
17	W	96	Very high	94.4	Very high	3 Å²	3	67.9 Å²	67.9	1%	0.011	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-65.9	-30.2	-173.4	-69	-3.3	0	0	0	112.6	W6 G7 Y8 N12 G13 P14 E19 F20 F21 A24 T200 P202 L204 R247	W6-W17 AromaticContact CE3-CE2 3.83Å; W6-W17 HydrophobicContact CE3-CH2 4.27Å; W6-W17 AromaticContact CE3-CZ2 3.49Å; W6-W17 HydrophobicContact CE3-CZ2 3.49Å; W6-W17 VanDerWaalsContact CE3-CZ2 3.49Å; W6-W17 HydrophobicContact CZ3-CH2 4.17Å; W6-W17 AromaticContact CZ3-CZ2 3.75Å; W6-W17 HydrophobicContact CZ3-CZ2 3.75Å; G7-W17 WeakPolarHBondContact O-CZ2 3.42Å; G7-W17 PolarHBondContact O-NE1 2.85Å; G7-W17 VanDerWaalsContact O-NE1 3.15Å; Y8-W17 HydrophobicContact CD1-CZ2 4.23Å; Y8-W17 AromaticContact CE1-CH2 3.74Å; Y8-W17 HydrophobicContact CE1-CH2 3.74Å; Y8-W17 AromaticContact CE1-CZ2 3.8Å; Y8-W17 HydrophobicContact CE1-CZ2 3.8Å; N12-W17 PolarHBondContact O-NE1 2.94Å; G13-W17 VanDerWaalsContact C-NE1 3.32Å; G13-W17 PolarHBondContact O-NE1 2.99Å; P14-W17 HydrophobicContact CB-CD2 4.33Å; P14-W17 HydrophobicContact CB-CE3 4.29Å; P14-W17 HydrophobicContact CB-CZ2 4.49Å; P14-W17 HydrophobicContact CB-CZ3 4.39Å; P14-W17 HydrophobicContact CG-CH2 3.95Å; P14-W17 HydrophobicContact CG-CZ2 3.84Å; P14-W17 HydrophobicContact CG-CZ3 4.3Å; P14-W17 PolarHBondContact O-N 3.38Å; W17-E19 PolarHBondContact O-N 3.44Å; W17-F20 PolarHBondContact O-N 2.87Å; W17-F21 WeakPolarHBondContact O-CB 3.26Å; W17-F21 WeakPolarHBondContact O-CD2 3.45Å; W17-F21 PolarHBondContact O-N 3.42Å; W17-A24 HydrophobicContact CB-CB 4.47Å; W17-T200 WeakPolarHBondContact CZ3-O 3.45Å; W17-P202 HydrophobicContact CD2-CG 3.76Å; W17-P202 HydrophobicContact CE3-CG 4Å; W17-P202 HydrophobicContact CG-CG 4.08Å; W17-P202 HydrophobicContact CZ3-CG 4.46Å; W17-L204 HydrophobicContact CB-CD1 4.25Å; W17-L204 HydrophobicContact CE3-CD1 3.92Å; W17-L204 HydrophobicContact CE3-CD2 3.89Å; W17-L204 HydrophobicContact CE3-CG 4.39Å; W17-L204 HydrophobicContact CZ3-CD2 3.9Å; W17-R247 HydrophobicContact CH2-CB 4.45Å; W17-R247 HydrophobicContact CH2-CG 4.37Å; W17-R247 HydrophobicContact CZ3-CB 4.27Å; W17-R247 HydrophobicContact CZ3-CG 3.8Å
18	N	94.1	Very high	94.6	Very high	58 Å²	58	70.7 Å²	70.7	31%	0.31	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.8	178.1	69.2	-16.1	0	0	0	113.8	H16 F20 F21 A24 D25	H16-N18 VanDerWaalsContact C-N 3.26Å; H16-N18 PolarHBondContact O-N 3.21Å; N18-F20 PolarHBondContact O-N 2.81Å; N18-F21 WeakPolarHBondContact CA-O 3.46Å; N18-A24 HydrophobicContact CB-CB 3.78Å; N18-D25 WeakPolarHBondContact CB-OD2 3.41Å; N18-D25 PolarHBondContact ND2-OD2 2.6Å
19	E	93.6	Very high	94.8	Very high	122 Å²	122	68.5 Å²	68.5	57%	0.57	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.7	175.9	-59.7	176.9	-157.3	0	0	112	H16 W17	H16-E19 IonicContact CE1-OE1 2.78Å; H16-E19 IonicContact CG-OE1 2.79Å; H16-E19 IonicContact ND1-OE1 3.68Å; H16-E19 PolarHBondContact ND1-OE1 2.8Å; H16-E19 WeakPolarHBondContact O-CB 3.45Å; H16-E19 WeakPolarHBondContact O-CG 3.5Å; H16-E19 PolarHBondContact O-N 3.12Å; W17-E19 PolarHBondContact O-N 3.44Å
20	F	92.5	Very high	95.1	Very high	117 Å²	117	66.6 Å²	66.6	51%	0.513	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-25.4	-175.6	-61.9	-68.5	0	0	0	113.5	L4 W17 N18	L4-F20 HydrophobicContact CD2-CB 3.69Å; L4-F20 HydrophobicContact CD2-CD1 3.37Å; L4-F20 HydrophobicContact CD2-CE1 4.22Å; L4-F20 HydrophobicContact CD2-CG 3.7Å; W17-F20 PolarHBondContact O-N 2.87Å; N18-F20 PolarHBondContact O-N 2.81Å
21	F	94.9	Very high	95.6	Very high	39 Å²	39	59 Å²	59	17%	0.171	31%	0.306	C	S	.	.			trans	-126.3	82.2	179.6	-54.3	-81.2	0	0	0	108.1	W6 W17 N18 I23 A24 P202 P203 L204	W6-F21 HydrophobicContact CB-CE2 4.46Å; W17-F21 WeakPolarHBondContact O-CB 3.26Å; W17-F21 WeakPolarHBondContact O-CD2 3.45Å; W17-F21 PolarHBondContact O-N 3.42Å; N18-F21 WeakPolarHBondContact CA-O 3.46Å; F21-I23 PolarHBondContact O-N 2.76Å; F21-A24 WeakPolarHBondContact O-CB 3.41Å; F21-A24 PolarHBondContact O-N 2.88Å; F21-P202 HydrophobicContact CD1-CB 4.24Å; F21-P202 HydrophobicContact CD2-CB 3.8Å; F21-P202 HydrophobicContact CD2-CG 3.96Å; F21-P202 HydrophobicContact CE1-CB 3.99Å; F21-P202 HydrophobicContact CE2-CB 3.53Å; F21-P202 HydrophobicContact CE2-CG 3.9Å; F21-P202 HydrophobicContact CG-CB 4.16Å; F21-P202 HydrophobicContact CZ-CB 3.64Å; F21-P202 HydrophobicContact CZ-CG 4.49Å; F21-P203 HydrophobicContact CD1-CB 4.16Å; F21-P203 HydrophobicContact CE1-CB 4.29Å; F21-L204 HydrophobicContact CB-CD1 4.4Å
22	P	95.4	Very high	96	Very high	103 Å²	103	51.6 Å²	51.6	67%	0.669	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-55.4	-26.5	-174.7	-28.8	36	0	0	0	114.4	A24 D25	P22-A24 PolarHBondContact O-N 3.45Å; P22-A24 VanDerWaalsContact O-N 3.1Å; P22-D25 PolarHBondContact O-N 2.93Å
23	I	96.8	Very high	96.3	Very high	65 Å²	65	52.5 Å²	52.5	33%	0.333	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.3	-14.3	173.8	-163	63.5	0	0	0	113.2	F21 D25 G26 Q29 P203 L204 E206	F21-I23 PolarHBondContact O-N 2.76Å; I23-D25 PolarHBondContact O-N 3.44Å; I23-D25 VanDerWaalsContact O-N 3.12Å; I23-G26 WeakPolarHBondContact O-CA 3.09Å; I23-G26 PolarHBondContact O-N 3Å; I23-Q29 WeakPolarHBondContact O-CG 3.36Å; I23-Q29 PolarHBondContact O-NE2 2.92Å; I23-P203 WeakPolarHBondContact CG2-O 3.22Å; I23-L204 HydrophobicContact CG2-CB 4.01Å; I23-E206 HydrophobicContact CD1-CG 4.19Å; I23-E206 HydrophobicContact CG1-CG 4.14Å
24	A	96.2	Very high	96.4	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.7	-24.2	173.5	0	0	0	0	0	113.6	W17 N18 F21 P22 Q29 L204 R247	W17-A24 HydrophobicContact CB-CB 4.47Å; N18-A24 HydrophobicContact CB-CB 3.78Å; F21-A24 WeakPolarHBondContact O-CB 3.41Å; F21-A24 PolarHBondContact O-N 2.88Å; P22-A24 PolarHBondContact O-N 3.45Å; P22-A24 VanDerWaalsContact O-N 3.1Å; A24-Q29 WeakPolarHBondContact O-CG 3.45Å; A24-L204 HydrophobicContact CB-CD1 3.37Å; A24-R247 PolarHBondContact O-NH2 3.01Å; A24-R247 VanDerWaalsContact O-NH2 3.09Å
25	D	94.5	Very high	96.5	Very high	102 Å²	102	55.1 Å²	55.1	55%	0.545	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-100.8	13.9	173.7	-73.3	-34.9	0	0	0	113	N18 P22 I23 K253	N18-D25 WeakPolarHBondContact CB-OD2 3.41Å; N18-D25 PolarHBondContact ND2-OD2 2.6Å; P22-D25 PolarHBondContact O-N 2.93Å; I23-D25 PolarHBondContact O-N 3.44Å; I23-D25 VanDerWaalsContact O-N 3.12Å; D25-K253 PolarHBondContact O-NZ 3.28Å
26	G	96.4	Very high	96.6	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	26%	0.264	C	S	.	.			trans	-61.6	172.4	-180	0	0	0	0	0	114.3	I23 E206 K253	I23-G26 WeakPolarHBondContact O-CA 3.09Å; I23-G26 PolarHBondContact O-N 3Å; G26-E206 VanDerWaalsContact CA-OE1 3.25Å; G26-E206 WeakPolarHBondContact CA-OE1 3.49Å; G26-K253 PolarHBondContact O-NZ 3.29Å
27	D	97.6	Very high	96.7	Very high	107 Å²	107	58.5 Å²	58.5	57%	0.572	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.5	-170.3	-69.6	-28.2	0	0	0	114.2	E206 K253	D27-E206 PolarHBondContact N-OE1 3.39Å; D27-K253 HydrophobicContact CB-CD 4.19Å; D27-K253 WeakPolarHBondContact OD1-CD 2.79Å; D27-K253 IonicContact OD1-NZ 3.64Å; D27-K253 PolarHBondContact OD1-NZ 2.76Å
28	Q	98.1	Very high	96.7	Very high	65 Å²	65	64.1 Å²	64.1	30%	0.304	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	31.9	-175	-51.7	-173	76.9	0	0	112	G197 S198 E206 R255	Q28-G197 CarbonylContact O-C 3.43Å; Q28-G197 WeakPolarHBondContact O-CA 3.35Å; Q28-S198 PolarHBondContact O-N 3.39Å; Q28-S198 VanDerWaalsContact O-N 3.13Å; Q28-E206 WeakPolarHBondContact CA-OE1 3.42Å; Q28-E206 HydrophobicContact CB-CB 4.25Å; Q28-E206 HydrophobicContact CB-CG 4.2Å; Q28-E206 PolarHBondContact N-OE1 3.47Å; Q28-R255 PolarHBondContact O-NH1 3.23Å; Q28-R255 VanDerWaalsContact O-NH1 3.14Å
29	Q	98.8	Very high	96.8	Very high	3 Å²	3	62.6 Å²	62.6	1%	0.014	31%	0.314	C	S	.	.			trans	-67.1	148	178.3	-68.6	-68.3	-65.2	0	0	113.2	I23 A24 S198 L204 E206 Q250 R255	I23-Q29 WeakPolarHBondContact O-CG 3.36Å; I23-Q29 PolarHBondContact O-NE2 2.92Å; A24-Q29 WeakPolarHBondContact O-CG 3.45Å; Q29-S198 WeakPolarHBondContact CA-OG 3.17Å; Q29-L204 PolarHBondContact NE2-O 3.17Å; Q29-E206 PolarHBondContact N-OE1 2.9Å; Q29-E206 PolarHBondContact NE2-OE1 3.44Å; Q29-Q250 HydrophobicContact CB-CB 3.88Å; Q29-Q250 HydrophobicContact CB-CG 3.92Å; Q29-R255 PolarHBondContact O-NH1 3.34Å; Q29-R255 PolarHBondContact O-NH2 3.49Å
30	S	98.9	Very high	96.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-121.8	158.4	177.6	-69.2	0	0	0	0	110.7	Y195 G197 S198 W210 R247	S30-Y195 WeakPolarHBondContact CB-OH 3.46Å; S30-Y195 PolarHBondContact OG-OH 2.77Å; S30-G197 WeakPolarHBondContact OG-CA 3.17Å; S30-S198 WeakPolarHBondContact CB-O 3.41Å; S30-S198 PolarHBondContact N-OG 2.78Å; S30-S198 PolarHBondContact OG-N 3.38Å; S30-W210 PolarHBondContact OG-NE1 3.43Å; S30-R247 WeakPolarHBondContact O-CD 3.16Å; S30-R247 PolarHBondContact O-NH1 3.48Å
31	P	98.9	Very high	97.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.			cis	-76.2	179	-1.1	35.7	-40.5	0	0	0	112.5	E107 T200 R247 Q250	P31-E107 VanDerWaalsContact CB-C 3.43Å; P31-E107 HydrophobicContact CB-CB 3.79Å; P31-E107 WeakPolarHBondContact CB-O 3.26Å; P31-E107 HydrophobicContact CG-CB 3.7Å; P31-E107 HydrophobicContact CG-CG 4.5Å; P31-E107 VanDerWaalsContact CG-O 3.23Å; P31-E107 WeakPolarHBondContact CG-O 3.48Å; P31-T200 HydrophobicContact CB-CG2 4.45Å; P31-R247 WeakPolarHBondContact CG-O 3.28Å; P31-Q250 WeakPolarHBondContact O-CB 3.49Å; P31-Q250 PolarHBondContact O-N 2.87Å
32	I	98.9	Very high	97.2	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.312	C	S	.	.			trans	-131	164.3	174.2	62.7	168.9	0	0	0	111.4	I34 V109 Y195 L252 V257	I32-I34 HydrophobicContact CD1-CG1 4.44Å; I32-I34 HydrophobicContact CG1-CG1 4.38Å; I32-V109 PolarHBondContact O-N 2.98Å; I32-Y195 HydrophobicContact CD1-CD1 3.81Å; I32-Y195 HydrophobicContact CD1-CD2 3.82Å; I32-Y195 HydrophobicContact CD1-CE1 3.78Å; I32-Y195 HydrophobicContact CD1-CE2 3.82Å; I32-Y195 HydrophobicContact CD1-CG 3.85Å; I32-Y195 HydrophobicContact CG1-CD1 4.4Å; I32-Y195 HydrophobicContact CG1-CE1 3.86Å; I32-Y195 HydrophobicContact CG1-CE2 4.02Å; I32-Y195 HydrophobicContact CG2-CE2 4.07Å; I32-L252 HydrophobicContact CD1-CD1 3.65Å; I32-L252 HydrophobicContact CG2-CD1 4.36Å; I32-V257 HydrophobicContact CD1-CG2 3.51Å
33	E	98.8	Very high	97.2	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.8	159.9	-176.4	-177.7	-158.7	0	0	109.7	K35 V109 G112	E33-K35 HydrophobicContact CG-CG 4.09Å; E33-K35 WeakPolarHBondContact OE2-CE 3.46Å; E33-V109 CarbonylContact C-O 3.57Å; E33-V109 WeakPolarHBondContact CA-O 3.45Å; E33-V109 HydrophobicContact CB-CB 4.39Å; E33-V109 HydrophobicContact CG-CB 4.26Å; E33-V109 HydrophobicContact CG-CG1 4.27Å; E33-G112 PolarHBondContact OE1-N 2.56Å
34	I	98.8	Very high	97.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.4	171.6	-62.4	163.9	0	0	0	107.7	I32 V39 V109 V110 D111 W193 V212 V257	I32-I34 HydrophobicContact CD1-CG1 4.44Å; I32-I34 HydrophobicContact CG1-CG1 4.38Å; I34-V39 HydrophobicContact CG2-CG2 3.8Å; I34-V109 PolarHBondContact N-O 2.81Å; I34-V110 HydrophobicContact CB-CG2 4.46Å; I34-V110 WeakPolarHBondContact O-CA 3.45Å; I34-D111 PolarHBondContact O-N 3.2Å; I34-W193 HydrophobicContact CD1-CB 4.27Å; I34-W193 HydrophobicContact CD1-CD2 4.21Å; I34-W193 HydrophobicContact CD1-CE3 3.99Å; I34-W193 HydrophobicContact CD1-CG 4.36Å; I34-W193 HydrophobicContact CG2-CD2 3.96Å; I34-W193 HydrophobicContact CG2-CG 4.04Å; I34-W193 HydrophobicContact CG2-CZ2 4.43Å; I34-V212 HydrophobicContact CD1-CB 4.22Å; I34-V212 HydrophobicContact CD1-CG1 4.14Å; I34-V212 HydrophobicContact CD1-CG2 4.38Å; I34-V257 HydrophobicContact CG2-CG1 4.32Å
35	K	98.3	Very high	97.3	Very high	90 Å²	90	64 Å²	64	39%	0.391	33%	0.328	S	S	.	.			trans	-91.8	102	175.9	-64	-179.7	180	179.9	0	109.6	E33 K37 E38 V39 D111	E33-K35 HydrophobicContact CG-CG 4.09Å; E33-K35 WeakPolarHBondContact OE2-CE 3.46Å; K35-K37 PolarHBondContact O-N 3.14Å; K35-K37 VanDerWaalsContact O-N 3.12Å; K35-E38 HydrophobicContact CB-CB 4.29Å; K35-E38 HydrophobicContact CB-CG 4.2Å; K35-E38 WeakPolarHBondContact CD-OE1 3.26Å; K35-E38 PolarHBondContact O-N 2.66Å; K35-V39 WeakPolarHBondContact O-CG2 3.49Å; K35-V39 PolarHBondContact O-N 3.43Å; K35-D111 WeakPolarHBondContact CA-OD1 3.4Å
36	T	97.1	Very high	97.4	Very high	57 Å²	57	65.9 Å²	65.9	35%	0.35	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.5	-169.2	61.8	0	0	0	0	113	E38 V39 V110 D111 W193	T36-E38 VanDerWaalsContact C-N 3.26Å; T36-E38 PolarHBondContact O-N 3.23Å; T36-V39 PolarHBondContact O-N 3.09Å; T36-V110 HydrophobicContact CG2-CG1 3.78Å; T36-D111 WeakPolarHBondContact CB-OD2 3.27Å; T36-D111 WeakPolarHBondContact CG2-OD2 3.43Å; T36-D111 PolarHBondContact N-OD1 2.98Å; T36-D111 VanDerWaalsContact OG1-CG 3.31Å; T36-D111 PolarHBondContact OG1-OD1 3.05Å; T36-D111 PolarHBondContact OG1-OD2 3.45Å; T36-W193 HydrophobicContact CG2-CZ2 3.98Å
37	K	96.4	Very high	97.4	Very high	204 Å²	204	70.3 Å²	70.3	89%	0.887	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.6	174.1	-66.9	-179	-180	174.7	0	114.3	K35	K35-K37 PolarHBondContact O-N 3.14Å; K35-K37 VanDerWaalsContact O-N 3.12Å
38	E	96.1	Very high	97.5	Very high	121 Å²	121	65.9 Å²	65.9	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-18.3	-180	-62.1	178.2	-153.1	0	0	112.2	K35 T36	K35-E38 HydrophobicContact CB-CB 4.29Å; K35-E38 HydrophobicContact CB-CG 4.2Å; K35-E38 WeakPolarHBondContact CD-OE1 3.26Å; K35-E38 PolarHBondContact O-N 2.66Å; T36-E38 VanDerWaalsContact C-N 3.26Å; T36-E38 PolarHBondContact O-N 3.23Å
39	V	96.6	Very high	97.5	Very high	25 Å²	25	66.1 Å²	66.1	15%	0.152	34%	0.338	C	S	.	.			trans	-66.5	139.1	175.3	174.3	0	0	0	0	109.8	I34 K35 T36 V257 A259	I34-V39 HydrophobicContact CG2-CG2 3.8Å; K35-V39 WeakPolarHBondContact O-CG2 3.49Å; K35-V39 PolarHBondContact O-N 3.43Å; T36-V39 PolarHBondContact O-N 3.09Å; V39-V257 HydrophobicContact CG2-CB 4.01Å; V39-V257 HydrophobicContact CG2-CG1 3.88Å; V39-A259 HydrophobicContact CG1-CB 3.5Å
40	K	93.4	Very high	97.5	Very high	154 Å²	154	67 Å²	67	67%	0.67	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	174.4	-63.6	-173.1	178.3	-174.6	0	110.4	D42 R258 A259	K40-D42 PolarHBondContact O-N 3.49Å; K40-R258 WeakPolarHBondContact O-CA 3.27Å; K40-A259 PolarHBondContact O-N 3.32Å
41	Y	97.6	Very high	97.4	Very high	92 Å²	92	73.5 Å²	73.5	36%	0.361	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.4	164.3	174.2	-121.5	0	0	0	109.3	A259 S260 F261 Y262	Y41-A259 WeakPolarHBondContact CA-O 3.42Å; Y41-A259 WeakPolarHBondContact CD2-O 3.46Å; Y41-S260 WeakPolarHBondContact CE2-O 3.27Å; Y41-F261 VanDerWaalsContact CD2-C 3.47Å; Y41-F261 VanDerWaalsContact CD2-O 3.27Å; Y41-F261 WeakPolarHBondContact CD2-O 3.3Å; Y41-Y262 AromaticContact CD1-CD1 3.92Å; Y41-Y262 HydrophobicContact CD1-CD1 3.92Å; Y41-Y262 AromaticContact CD1-CE1 3.5Å; Y41-Y262 HydrophobicContact CD1-CE1 3.5Å; Y41-Y262 VanDerWaalsContact CD1-CE1 3.5Å; Y41-Y262 HydrophobicContact CD1-CE2 4.3Å; Y41-Y262 HydrophobicContact CD1-CG 4.49Å; Y41-Y262 AromaticContact CD1-CZ 3.71Å; Y41-Y262 HydrophobicContact CE1-CD1 4.45Å; Y41-Y262 AromaticContact CE1-CE1 3.76Å; Y41-Y262 HydrophobicContact CE1-CE1 3.76Å; Y41-Y262 AromaticContact CE1-CE2 3.89Å; Y41-Y262 HydrophobicContact CE1-CE2 3.89Å; Y41-Y262 AromaticContact CE1-CZ 3.43Å; Y41-Y262 VanDerWaalsContact CE1-CZ 3.43Å; Y41-Y262 WeakPolarHBondContact CE1-OH 3.02Å; Y41-Y262 HydrophobicContact CG-CD1 4.2Å; Y41-Y262 HydrophobicContact CG-CE1 4.24Å
42	D	97.9	Very high	97.4	Very high	35 Å²	35	74.2 Å²	74.2	19%	0.187	37%	0.373	C	S	.	.			trans	-118.2	102.5	175.8	179.2	-2.6	0	0	0	108.5	K40 S44 L45 R258 A259	K40-D42 PolarHBondContact O-N 3.49Å; D42-S44 VanDerWaalsContact CG-OG 3.23Å; D42-S44 PolarHBondContact O-N 2.88Å; D42-S44 VanDerWaalsContact O-N 3.1Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.05Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 PolarHBondContact OD2-OG 3.14Å; D42-L45 HydrophobicContact CB-CD1 3.96Å; D42-L45 HydrophobicContact CB-CG 3.93Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 PolarHBondContact O-N 2.83Å; D42-R258 HydrophobicContact CB-CB 4.1Å; D42-R258 VanDerWaalsContact OD2-CD 3.3Å; D42-R258 WeakPolarHBondContact OD2-CD 3.27Å; D42-R258 IonicContact OD2-CZ 3.11Å; D42-R258 IonicContact OD2-NE 3.54Å; D42-R258 IonicContact OD2-NH1 2.73Å; D42-R258 PolarHBondContact OD2-NH1 3.24Å; D42-A259 PolarHBondContact N-O 2.73Å
43	S	96.1	Very high	97.3	Very high	98 Å²	98	76.5 Å²	76.5	69%	0.685	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.6	-179.6	62	0	0	0	0	114	L45	S43-L45 VanDerWaalsContact C-N 3.34Å
44	S	96.7	Very high	97.3	Very high	82 Å²	82	75.3 Å²	75.3	57%	0.573	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.2	173.7	76.2	0	0	0	0	113	D42 R46	D42-S44 VanDerWaalsContact CG-OG 3.23Å; D42-S44 PolarHBondContact O-N 2.88Å; D42-S44 VanDerWaalsContact O-N 3.1Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.05Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 PolarHBondContact OD2-OG 3.14Å; S44-R46 PolarHBondContact O-N 3.23Å
45	L	97.8	Very high	97.2	Very high	19 Å²	19	79.3 Å²	79.3	10%	0.099	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-67.6	118.7	176.8	-73.4	178.9	0	0	0	110.7	D42 S43 P84 Y192 T194 R258	D42-L45 HydrophobicContact CB-CD1 3.96Å; D42-L45 HydrophobicContact CB-CG 3.93Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 PolarHBondContact O-N 2.83Å; S43-L45 VanDerWaalsContact C-N 3.34Å; L45-P84 HydrophobicContact CD2-CB 3.91Å; L45-Y192 WeakPolarHBondContact CB-OH 3.4Å; L45-Y192 HydrophobicContact CD1-CE2 4.05Å; L45-Y192 HydrophobicContact CD2-CE2 4.31Å; L45-T194 HydrophobicContact CD1-CG2 3.87Å; L45-T194 HydrophobicContact CD2-CG2 3.86Å; L45-R258 HydrophobicContact CD1-CB 4Å
46	R	95.9	Very high	97.2	Very high	140 Å²	140	75.1 Å²	75.1	53%	0.528	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-77.8	162.5	179.5	-60.9	-178.3	-64.1	176.6	-0.2	110.8	S44 G83 L85 Y192	S44-R46 PolarHBondContact O-N 3.23Å; R46-G83 VanDerWaalsContact O-CA 3.27Å; R46-G83 WeakPolarHBondContact O-CA 3.49Å; R46-L85 PolarHBondContact NH2-O 3.11Å; R46-Y192 PolarHBondContact O-OH 3.49Å
47	P	97.6	Very high	97.2	Very high	111 Å²	111	72.5 Å²	72.5	72%	0.721	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-58	149.2	165	-23.9	34.8	0	0	0	111.8	G83	P47-G83 PolarHBondContact O-N 3.08Å
48	L	98.4	Very high	97.3	Very high	15 Å²	15	66.8 Å²	66.8	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.6	168.6	-59.1	178.4	0	0	0	109.7	I50 L80 L145 W190 Y192 I211 L213	L48-I50 HydrophobicContact CB-CD1 4.44Å; L48-I50 HydrophobicContact CB-CG1 4.32Å; L48-L80 HydrophobicContact CD2-CD1 4.5Å; L48-L145 HydrophobicContact CD1-CD2 4.14Å; L48-W190 HydrophobicContact CB-CE3 4.18Å; L48-W190 HydrophobicContact CD1-CB 4.33Å; L48-Y192 HydrophobicContact CD1-CD1 3.87Å; L48-Y192 HydrophobicContact CD1-CE1 4.29Å; L48-Y192 HydrophobicContact CD1-CG 4.47Å; L48-Y192 HydrophobicContact CD2-CD1 4.19Å; L48-Y192 HydrophobicContact CD2-CE1 3.85Å; L48-Y192 HydrophobicContact CG-CD1 3.84Å; L48-Y192 HydrophobicContact CG-CE1 3.74Å; L48-I211 HydrophobicContact CD1-CG2 3.81Å; L48-I211 HydrophobicContact CD2-CD1 4.06Å; L48-I211 HydrophobicContact CD2-CG2 4.06Å; L48-L213 HydrophobicContact CD1-CD2 3.96Å
49	S	98	Very high	97.4	Very high	70 Å²	70	63.3 Å²	63.3	49%	0.49	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	106.4	174.7	-178.3	0	0	0	0	107.8	R81	S49-R81 PolarHBondContact N-O 3.13Å; S49-R81 PolarHBondContact O-N 3.02Å
50	I	98.3	Very high	97.5	Very high	20 Å²	20	62.1 Å²	62.1	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.7	-172.2	-51.5	178.9	0	0	0	108.1	L48 Y52 L80 L145 L183 L186 W190	L48-I50 HydrophobicContact CB-CD1 4.44Å; L48-I50 HydrophobicContact CB-CG1 4.32Å; I50-Y52 HydrophobicContact CG2-CD1 4.09Å; I50-Y52 HydrophobicContact CG2-CD2 3.73Å; I50-Y52 HydrophobicContact CG2-CE1 3.66Å; I50-Y52 HydrophobicContact CG2-CE2 3.27Å; I50-Y52 HydrophobicContact CG2-CG 4.14Å; I50-L80 HydrophobicContact CD1-CD1 4.3Å; I50-L80 HydrophobicContact CG1-CD1 3.74Å; I50-L145 HydrophobicContact CD1-CD1 3.84Å; I50-L183 HydrophobicContact CB-CD1 3.95Å; I50-L183 HydrophobicContact CG2-CD1 3.63Å; I50-L186 HydrophobicContact CD1-CD1 3.5Å; I50-W190 HydrophobicContact CB-CH2 4.18Å; I50-W190 HydrophobicContact CB-CZ3 4.3Å; I50-W190 HydrophobicContact CD1-CD2 4.37Å; I50-W190 HydrophobicContact CD1-CE3 4.21Å; I50-W190 HydrophobicContact CD1-CH2 4.29Å; I50-W190 HydrophobicContact CD1-CZ2 4.45Å; I50-W190 HydrophobicContact CD1-CZ3 4.16Å; I50-W190 HydrophobicContact CG1-CE3 4.5Å; I50-W190 HydrophobicContact CG1-CH2 4.37Å; I50-W190 HydrophobicContact CG1-CZ3 4.11Å
51	K	97.9	Very high	97.7	Very high	137 Å²	137	55.6 Å²	55.6	60%	0.596	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.9	172	177.7	-175.1	173.6	-170.5	0	107.7	S78 V79	K51-S78 CarbonylContact O-C 3.38Å; K51-S78 VanDerWaalsContact O-CA 3.26Å; K51-S78 WeakPolarHBondContact O-CA 3.46Å; K51-V79 HydrophobicContact CB-CG2 4.45Å; K51-V79 PolarHBondContact N-O 3.29Å; K51-V79 PolarHBondContact O-N 3.35Å
52	Y	98.3	Very high	97.8	Very high	16 Å²	16	51.3 Å²	51.3	6%	0.063	28%	0.284	C	S	.	.			trans	-117.8	135.7	173.7	-59.4	-39.2	0	0	0	110.4	I50 L91 H123 L145 P182 L183	I50-Y52 HydrophobicContact CG2-CD1 4.09Å; I50-Y52 HydrophobicContact CG2-CD2 3.73Å; I50-Y52 HydrophobicContact CG2-CE1 3.66Å; I50-Y52 HydrophobicContact CG2-CE2 3.27Å; I50-Y52 HydrophobicContact CG2-CG 4.14Å; Y52-L91 HydrophobicContact CD1-CB 4.35Å; Y52-L91 HydrophobicContact CD1-CD2 3.91Å; Y52-L91 HydrophobicContact CE1-CB 4.07Å; Y52-L91 HydrophobicContact CE1-CD2 4.02Å; Y52-L91 HydrophobicContact CE1-CG 4.47Å; Y52-L91 HydrophobicContact CG-CD2 4.35Å; Y52-H123 AromaticContact CE1-NE2 3.5Å; Y52-H123 AromaticContact CZ-NE2 3.5Å; Y52-H123 PolarHBondContact OH-CE1 2.8Å; Y52-H123 PolarHBondContact OH-NE2 2.83Å; Y52-L145 WeakPolarHBondContact OH-CD1 3.38Å; Y52-P182 HydrophobicContact CD2-CB 4.26Å; Y52-P182 HydrophobicContact CD2-CG 3.55Å; Y52-P182 HydrophobicContact CE2-CB 4.34Å; Y52-P182 HydrophobicContact CE2-CG 3.95Å; Y52-P182 HydrophobicContact CG-CG 3.91Å; Y52-L183 HydrophobicContact CD2-CB 3.96Å; Y52-L183 HydrophobicContact CD2-CD1 4.21Å; Y52-L183 HydrophobicContact CE2-CD1 4.36Å
53	D	98	Very high	97.7	Very high	48 Å²	48	51.4 Å²	51.4	26%	0.257	29%	0.288	S	S	.	.			trans	-94	115.5	171.6	-173.8	-28.5	0	0	0	108.4	T55 S56 K77 S78	D53-T55 PolarHBondContact O-N 2.91Å; D53-T55 VanDerWaalsContact O-N 3.09Å; D53-T55 VanDerWaalsContact OD1-CB 3.31Å; D53-T55 WeakPolarHBondContact OD1-CB 3.39Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.05Å; D53-T55 PolarHBondContact OD1-N 2.93Å; D53-T55 PolarHBondContact OD1-OG1 2.83Å; D53-T55 PolarHBondContact OD2-OG1 3.43Å; D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 3.4Å; D53-S56 PolarHBondContact O-OG 3.45Å; D53-K77 HydrophobicContact CB-CB 3.89Å; D53-S78 PolarHBondContact N-OG 2.91Å
54	P	97.3	Very high	97.8	Very high	47 Å²	47	46.9 Å²	46.9	31%	0.305	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59	-26.1	-178.8	-20.3	30.3	0	0	0	113.3	S56 A57 N179 F180 D181	P54-S56 PolarHBondContact O-N 3.11Å; P54-A57 PolarHBondContact O-N 3.34Å; P54-N179 CarbonylContact O-C 3.52Å; P54-N179 WeakPolarHBondContact O-CA 3.43Å; P54-N179 PolarHBondContact O-N 2.84Å; P54-F180 WeakPolarHBondContact CA-O 3.33Å; P54-F180 PolarHBondContact O-N 2.88Å; P54-D181 HydrophobicContact CB-CB 4.23Å; P54-D181 HydrophobicContact CG-CB 3.91Å
55	T	97.2	Very high	97.8	Very high	85 Å²	85	44.8 Å²	44.8	52%	0.521	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.3	179.4	71.8	0	0	0	0	112.8	D53 A57	D53-T55 PolarHBondContact O-N 2.91Å; D53-T55 VanDerWaalsContact O-N 3.09Å; D53-T55 VanDerWaalsContact OD1-CB 3.31Å; D53-T55 WeakPolarHBondContact OD1-CB 3.39Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.05Å; D53-T55 PolarHBondContact OD1-N 2.93Å; D53-T55 PolarHBondContact OD1-OG1 2.83Å; D53-T55 PolarHBondContact OD2-OG1 3.43Å; T55-A57 VanDerWaalsContact C-N 3.32Å
56	S	97.4	Very high	97.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-75.2	-17.9	178.3	66	0	0	0	0	113.4	D53 P54 K58 F71 D72 S78	D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 3.4Å; D53-S56 PolarHBondContact O-OG 3.45Å; P54-S56 PolarHBondContact O-N 3.11Å; S56-K58 PolarHBondContact O-N 3.21Å; S56-F71 CarbonylContact O-C 3.38Å; S56-F71 WeakPolarHBondContact O-CA 3.33Å; S56-F71 WeakPolarHBondContact OG-CD1 3.24Å; S56-D72 PolarHBondContact O-N 3.21Å; S56-S78 PolarHBondContact OG-OG 3Å
57	A	98.1	Very high	97.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.3	172.8	0	0	0	0	0	110.4	P54 T55 F71 F177 T178 F180	P54-A57 PolarHBondContact O-N 3.34Å; T55-A57 VanDerWaalsContact C-N 3.32Å; A57-F71 HydrophobicContact CB-CD1 3.99Å; A57-F71 HydrophobicContact CB-CE1 3.67Å; A57-F71 HydrophobicContact CB-CZ 4.32Å; A57-F177 CarbonylContact C-O 3.58Å; A57-F177 WeakPolarHBondContact CB-O 3.43Å; A57-T178 WeakPolarHBondContact O-CA 3.38Å; A57-T178 WeakPolarHBondContact O-CG2 3.25Å; A57-F180 HydrophobicContact CB-CB 4.09Å
58	K	97.6	Very high	97.9	Very high	84 Å²	84	33.8 Å²	33.8	37%	0.365	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-61.9	-175.4	-73.3	-178.9	-72.7	-164.1	0	112.7	S56 D70 F71 D72 F177	S56-K58 PolarHBondContact O-N 3.21Å; K58-D70 PolarHBondContact N-O 3.48Å; K58-F71 WeakPolarHBondContact CE-O 3.46Å; K58-F71 PolarHBondContact NZ-O 2.65Å; K58-D72 HydrophobicContact CD-CB 4.11Å; K58-D72 VanDerWaalsContact CE-N 3.29Å; K58-D72 VanDerWaalsContact NZ-CA 3.31Å; K58-D72 IonicContact NZ-OD1 3.95Å; K58-F177 CarbonylContact C-O 3.57Å; K58-F177 PolarHBondContact N-O 2.85Å; K58-F177 PolarHBondContact O-N 2.98Å
59	I	98.4	Very high	97.9	Very high	48 Å²	48	33 Å²	33	25%	0.246	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151	-170.5	59.9	170.1	0	0	0	110.4	V69 D70 T175	I59-V69 WeakPolarHBondContact O-CA 3.26Å; I59-D70 HydrophobicContact CD1-CB 4.49Å; I59-D70 WeakPolarHBondContact CD1-OD2 3.33Å; I59-D70 HydrophobicContact CG1-CB 3.85Å; I59-D70 PolarHBondContact O-N 3.21Å; I59-T175 VanDerWaalsContact CA-O 3.31Å; I59-T175 WeakPolarHBondContact CA-O 3.46Å
60	I	98.8	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.7	161.6	-168.9	178.9	0	0	0	107.8	F67 N68 V69 I161 I164 L165 I168 Q174 T175 F177	I60-F67 HydrophobicContact CD1-CD2 3.9Å; I60-F67 HydrophobicContact CD1-CE2 4.47Å; I60-F67 HydrophobicContact CD1-CG 4.49Å; I60-F67 HydrophobicContact CG1-CD2 4.17Å; I60-N68 CarbonylContact C-O 3.53Å; I60-N68 VanDerWaalsContact CA-O 3.26Å; I60-N68 WeakPolarHBondContact CA-O 3.29Å; I60-V69 HydrophobicContact CB-CG2 4.1Å; I60-V69 HydrophobicContact CD1-CG2 4.03Å; I60-V69 HydrophobicContact CG1-CG2 3.76Å; I60-I161 HydrophobicContact CD1-CG2 3.97Å; I60-I164 HydrophobicContact CG2-CG2 3.67Å; I60-L165 HydrophobicContact CD1-CD2 4.21Å; I60-I168 HydrophobicContact CD1-CD1 3.9Å; I60-I168 HydrophobicContact CG1-CD1 3.7Å; I60-I168 HydrophobicContact CG2-CD1 4.29Å; I60-Q174 CarbonylContact O-C 3.56Å; I60-Q174 VanDerWaalsContact O-CA 3.26Å; I60-Q174 WeakPolarHBondContact O-CA 3.48Å; I60-T175 HydrophobicContact CG2-CG2 3.59Å; I60-T175 PolarHBondContact N-O 2.64Å; I60-T175 PolarHBondContact O-N 3.12Å; I60-F177 HydrophobicContact CB-CB 3.8Å; I60-F177 HydrophobicContact CB-CG 4.17Å; I60-F177 HydrophobicContact CG2-CB 3.79Å; I60-F177 HydrophobicContact CG2-CD2 4.49Å; I60-F177 HydrophobicContact CG2-CG 4.31Å
61	S	98.7	Very high	98	Very high	17 Å²	17	30.6 Å²	30.6	12%	0.119	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.5	-177.8	64.3	0	0	0	0	111.2	F67 N68 K173	S61-F67 CarbonylContact O-C 3.52Å; S61-F67 WeakPolarHBondContact O-CA 3.33Å; S61-N68 PolarHBondContact N-O 2.85Å; S61-N68 PolarHBondContact O-N 3.15Å; S61-K173 CarbonylContact C-O 3.48Å; S61-K173 WeakPolarHBondContact CA-O 3.5Å
62	N	98.8	Very high	98	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.2	167	178.5	-2.4	0	0	0	109	G64 I168 K169 E170 G172 K173 L231	N62-G64 PolarHBondContact O-N 3.26Å; N62-G64 WeakPolarHBondContact OD1-CA 3.35Å; N62-G64 PolarHBondContact OD1-N 3.19Å; N62-I168 HydrophobicContact CB-CB 4.29Å; N62-I168 HydrophobicContact CB-CD1 4.35Å; N62-I168 WeakPolarHBondContact CB-O 3.41Å; N62-I168 PolarHBondContact ND2-O 3.46Å; N62-K169 PolarHBondContact ND2-O 3.37Å; N62-E170 PolarHBondContact ND2-O 3.13Å; N62-G172 PolarHBondContact O-N 3.23Å; N62-K173 PolarHBondContact N-O 2.95Å; N62-L231 PolarHBondContact ND2-O 2.86Å
63	S	97.2	Very high	98	Very high	38 Å²	38	25.9 Å²	25.9	27%	0.266	14%	0.144	S	C	.	.			trans	-77.4	-11.7	179.1	62.3	0	0	0	0	113.5	H65 S66	S63-H65 VanDerWaalsContact C-N 3.26Å; S63-H65 PolarHBondContact OG-N 2.89Å; S63-H65 VanDerWaalsContact OG-N 3.17Å; S63-S66 PolarHBondContact N-O 3.37Å; S63-S66 PolarHBondContact OG-N 3.27Å; S63-S66 VanDerWaalsContact OG-N 3.12Å; S63-S66 PolarHBondContact OG-O 3.05Å
64	G	96.9	Very high	97.9	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	85.8	-8.5	-165.9	0	0	0	0	0	114	N62 C232	N62-G64 PolarHBondContact O-N 3.26Å; N62-G64 WeakPolarHBondContact OD1-CA 3.35Å; N62-G64 PolarHBondContact OD1-N 3.19Å; G64-C232 VanDerWaalsContact O-CB 3.23Å; G64-C232 WeakPolarHBondContact O-CB 3.08Å
65	H	96.7	Very high	97.8	Very high	38 Å²	38	29.9 Å²	29.9	18%	0.176	17%	0.165	C	C	.	.	S	Bend	trans	-118.1	-21	178.6	-56.3	-67.7	0	0	0	112.8	W6 Y8 S63 N245	W6-H65 AromaticContact CE3-ND1 3.99Å; W6-H65 HydrophobicContact CH2-CB 3.74Å; W6-H65 AromaticContact CH2-CD2 3.93Å; W6-H65 AromaticContact CH2-CG 3.47Å; W6-H65 VanDerWaalsContact CH2-CG 3.47Å; W6-H65 AromaticContact CH2-ND1 3.67Å; W6-H65 HydrophobicContact CZ2-CB 4.42Å; W6-H65 AromaticContact CZ2-CD2 3.78Å; W6-H65 AromaticContact CZ2-CG 3.82Å; W6-H65 HydrophobicContact CZ3-CB 4.28Å; W6-H65 AromaticContact CZ3-CG 3.92Å; W6-H65 AromaticContact CZ3-ND1 3.64Å; W6-H65 PolarHBondContact O-CE1 3.04Å; Y8-H65 HydrophobicContact CE2-CB 4.47Å; S63-H65 VanDerWaalsContact C-N 3.26Å; S63-H65 PolarHBondContact OG-N 2.89Å; S63-H65 VanDerWaalsContact OG-N 3.17Å; H65-N245 VanDerWaalsContact O-CB 3.26Å; H65-N245 WeakPolarHBondContact O-CB 3.43Å; H65-N245 PolarHBondContact O-ND2 3.05Å
66	S	98.1	Very high	97.7	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	16%	0.158	C	C	.	.			trans	-168.8	171.2	170.6	-179.5	0	0	0	0	107.3	S63 L96	S63-S66 PolarHBondContact N-O 3.37Å; S63-S66 PolarHBondContact OG-N 3.27Å; S63-S66 VanDerWaalsContact OG-N 3.12Å; S63-S66 PolarHBondContact OG-O 3.05Å; S66-L96 PolarHBondContact OG-N 3.01Å; S66-L96 PolarHBondContact OG-O 2.88Å
67	F	98.4	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	148.3	151.3	73	-91.8	0	0	0	110.7	I60 S61 F94 H95 L96 W98 I161 L165 I168 F227 L230	I60-F67 HydrophobicContact CD1-CD2 3.9Å; I60-F67 HydrophobicContact CD1-CE2 4.47Å; I60-F67 HydrophobicContact CD1-CG 4.49Å; I60-F67 HydrophobicContact CG1-CD2 4.17Å; S61-F67 CarbonylContact O-C 3.52Å; S61-F67 WeakPolarHBondContact O-CA 3.33Å; F67-F94 HydrophobicContact CE2-CE2 4.04Å; F67-H95 VanDerWaalsContact O-CB 3.28Å; F67-H95 WeakPolarHBondContact O-CB 3.3Å; F67-L96 HydrophobicContact CE1-CB 4.4Å; F67-L96 HydrophobicContact CE1-CD1 4.1Å; F67-L96 HydrophobicContact CE2-CD1 3.81Å; F67-L96 HydrophobicContact CZ-CB 4.43Å; F67-L96 HydrophobicContact CZ-CD1 3.31Å; F67-L96 HydrophobicContact CZ-CD2 4.41Å; F67-L96 HydrophobicContact CZ-CG 4.24Å; F67-W98 HydrophobicContact CD1-CH2 4.21Å; F67-W98 HydrophobicContact CD1-CZ3 4.1Å; F67-W98 HydrophobicContact CE1-CZ3 4.16Å; F67-I161 HydrophobicContact CD2-CG2 4.24Å; F67-I161 HydrophobicContact CE1-CG2 4.43Å; F67-I161 HydrophobicContact CE2-CG2 3.56Å; F67-I161 HydrophobicContact CZ-CG2 3.64Å; F67-L165 HydrophobicContact CB-CD2 4.4Å; F67-L165 HydrophobicContact CD1-CD2 4.15Å; F67-L165 HydrophobicContact CG-CD2 4.19Å; F67-I168 HydrophobicContact CB-CD1 4.02Å; F67-F227 AromaticContact CE1-CD1 3.82Å; F67-F227 HydrophobicContact CE1-CD1 3.82Å; F67-F227 AromaticContact CE1-CE1 3.82Å; F67-F227 HydrophobicContact CE1-CE1 3.82Å; F67-F227 HydrophobicContact CE1-CG 4.32Å; F67-F227 HydrophobicContact CE1-CZ 4.33Å; F67-F227 HydrophobicContact CZ-CE1 4.11Å; F67-F227 HydrophobicContact CZ-CZ 4.39Å; F67-L230 HydrophobicContact CB-CD1 4.09Å; F67-L230 HydrophobicContact CD1-CD1 3.95Å
68	N	98.1	Very high	97.6	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.9	176	-59	-31.2	0	0	0	108.9	I60 S61 F94 H95	I60-N68 CarbonylContact C-O 3.53Å; I60-N68 VanDerWaalsContact CA-O 3.26Å; I60-N68 WeakPolarHBondContact CA-O 3.29Å; S61-N68 PolarHBondContact N-O 2.85Å; S61-N68 PolarHBondContact O-N 3.15Å; N68-F94 WeakPolarHBondContact CA-O 3.4Å; N68-H95 VanDerWaalsContact OD1-CB 3.24Å; N68-H95 WeakPolarHBondContact OD1-CB 3.39Å
69	V	98.6	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.6	166.3	177.9	0	0	0	0	108.5	I59 I60 F71 Q93 F94 F177	I59-V69 WeakPolarHBondContact O-CA 3.26Å; I60-V69 HydrophobicContact CB-CG2 4.1Å; I60-V69 HydrophobicContact CD1-CG2 4.03Å; I60-V69 HydrophobicContact CG1-CG2 3.76Å; V69-F71 HydrophobicContact CB-CE2 4.15Å; V69-F71 HydrophobicContact CG1-CD2 4.38Å; V69-F71 HydrophobicContact CG1-CE2 3.61Å; V69-F71 HydrophobicContact CG1-CZ 3.82Å; V69-F71 WeakPolarHBondContact O-CD2 3.43Å; V69-F71 WeakPolarHBondContact O-CE2 3.46Å; V69-Q93 CarbonylContact O-C 3.57Å; V69-Q93 WeakPolarHBondContact O-CA 3.48Å; V69-Q93 WeakPolarHBondContact O-CB 3.18Å; V69-F94 HydrophobicContact CB-CD1 3.99Å; V69-F94 HydrophobicContact CB-CE1 3.56Å; V69-F94 HydrophobicContact CB-CE2 4.14Å; V69-F94 HydrophobicContact CB-CG 4.43Å; V69-F94 HydrophobicContact CB-CZ 3.64Å; V69-F94 HydrophobicContact CG1-CD1 4.42Å; V69-F94 HydrophobicContact CG1-CE1 3.82Å; V69-F94 HydrophobicContact CG1-CZ 4.22Å; V69-F94 HydrophobicContact CG2-CE1 3.86Å; V69-F94 HydrophobicContact CG2-CE2 3.82Å; V69-F94 HydrophobicContact CG2-CZ 3.39Å; V69-F94 PolarHBondContact N-O 3.4Å; V69-F94 PolarHBondContact O-N 2.85Å; V69-F177 HydrophobicContact CB-CD1 4.46Å; V69-F177 HydrophobicContact CG1-CD1 3.55Å; V69-F177 HydrophobicContact CG1-CE1 3.92Å; V69-F177 HydrophobicContact CG2-CD1 3.99Å; V69-F177 HydrophobicContact CG2-CE1 4.03Å
70	D	98.6	Very high	97.7	Very high	38 Å²	38	26.1 Å²	26.1	20%	0.203	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.5	-178.2	-64.6	-47.3	0	0	0	111.8	K58 I59	K58-D70 PolarHBondContact N-O 3.48Å; I59-D70 HydrophobicContact CD1-CB 4.49Å; I59-D70 WeakPolarHBondContact CD1-OD2 3.33Å; I59-D70 HydrophobicContact CG1-CB 3.85Å; I59-D70 PolarHBondContact O-N 3.21Å
71	F	98.6	Very high	97.7	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.8	-179.1	-65.5	-99.4	0	0	0	112	S56 A57 K58 V69 D73 L91 R92 F94 P182	S56-F71 CarbonylContact O-C 3.38Å; S56-F71 WeakPolarHBondContact O-CA 3.33Å; S56-F71 WeakPolarHBondContact OG-CD1 3.24Å; A57-F71 HydrophobicContact CB-CD1 3.99Å; A57-F71 HydrophobicContact CB-CE1 3.67Å; A57-F71 HydrophobicContact CB-CZ 4.32Å; K58-F71 WeakPolarHBondContact CE-O 3.46Å; K58-F71 PolarHBondContact NZ-O 2.65Å; V69-F71 HydrophobicContact CB-CE2 4.15Å; V69-F71 HydrophobicContact CG1-CD2 4.38Å; V69-F71 HydrophobicContact CG1-CE2 3.61Å; V69-F71 HydrophobicContact CG1-CZ 3.82Å; V69-F71 WeakPolarHBondContact O-CD2 3.43Å; V69-F71 WeakPolarHBondContact O-CE2 3.46Å; F71-D73 PolarHBondContact O-N 3.28Å; F71-L91 HydrophobicContact CB-CD2 4.11Å; F71-L91 HydrophobicContact CB-CG 4.04Å; F71-L91 HydrophobicContact CD1-CD2 3.62Å; F71-L91 HydrophobicContact CD1-CG 4.45Å; F71-L91 HydrophobicContact CD2-CD1 4.37Å; F71-L91 HydrophobicContact CD2-CD2 3.72Å; F71-L91 HydrophobicContact CD2-CG 3.88Å; F71-L91 HydrophobicContact CE1-CD2 3.9Å; F71-L91 HydrophobicContact CE2-CD2 4.01Å; F71-L91 HydrophobicContact CE2-CG 4.49Å; F71-L91 HydrophobicContact CG-CD2 3.52Å; F71-L91 HydrophobicContact CG-CG 3.86Å; F71-L91 HydrophobicContact CZ-CD2 4.09Å; F71-R92 PolarHBondContact N-O 2.77Å; F71-F94 AromaticContact CE2-CD1 3.49Å; F71-F94 HydrophobicContact CE2-CD1 3.49Å; F71-F94 VanDerWaalsContact CE2-CD1 3.49Å; F71-F94 AromaticContact CE2-CE1 3.86Å; F71-F94 HydrophobicContact CE2-CE1 3.86Å; F71-F94 AromaticContact CZ-CD1 3.76Å; F71-F94 HydrophobicContact CZ-CD1 3.76Å; F71-F94 AromaticContact CZ-CE1 3.76Å; F71-F94 HydrophobicContact CZ-CE1 3.76Å; F71-P182 HydrophobicContact CE1-CG 3.82Å; F71-P182 HydrophobicContact CE2-CG 4.47Å; F71-P182 HydrophobicContact CZ-CB 4.18Å; F71-P182 HydrophobicContact CZ-CG 3.67Å
72	D	98.3	Very high	97.6	Very high	37 Å²	37	31.2 Å²	31.2	20%	0.198	16%	0.164	C	C	.	.			trans	-78.8	109.9	173.2	-173.8	24.6	0	0	0	110.6	S56 K58 S74 K77	S56-D72 PolarHBondContact O-N 3.21Å; K58-D72 HydrophobicContact CD-CB 4.11Å; K58-D72 VanDerWaalsContact CE-N 3.29Å; K58-D72 VanDerWaalsContact NZ-CA 3.31Å; K58-D72 IonicContact NZ-OD1 3.95Å; D72-S74 VanDerWaalsContact CG-OG 3.3Å; D72-S74 WeakPolarHBondContact OD1-CB 3.24Å; D72-S74 PolarHBondContact OD1-N 3.16Å; D72-S74 PolarHBondContact OD1-OG 3.28Å; D72-S74 PolarHBondContact OD2-OG 2.94Å; D72-K77 IonicContact OD2-NZ 3.54Å
73	D	97.8	Very high	97.6	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	17%	0.165	C	C	.	.			trans	-112.5	15.8	-179.2	65	-23.4	0	0	0	112.4	F71 E75 R90 R92 W124	F71-D73 PolarHBondContact O-N 3.28Å; D73-E75 PolarHBondContact O-N 2.84Å; D73-R90 HydrophobicContact CB-CB 4.18Å; D73-R90 WeakPolarHBondContact O-CD 3.36Å; D73-R90 PolarHBondContact O-NH1 3.29Å; D73-R92 IonicContact OD1-NH1 2.81Å; D73-R92 PolarHBondContact OD1-NH1 3.4Å; D73-R92 WeakPolarHBondContact OD2-CD 3.45Å; D73-R92 IonicContact OD2-CZ 2.72Å; D73-R92 IonicContact OD2-NE 3.91Å; D73-R92 IonicContact OD2-NH1 3.72Å; D73-R92 PolarHBondContact OD2-NH1 2.89Å; D73-W124 PolarHBondContact OD2-NE1 2.89Å
74	S	96.9	Very high	97.7	Very high	73 Å²	73	30.8 Å²	30.8	51%	0.51	16%	0.161	S	C	.	.	S	Bend	trans	-67.9	-26.1	172.9	60.3	0	0	0	0	112.6	D72 R90	D72-S74 VanDerWaalsContact CG-OG 3.3Å; D72-S74 WeakPolarHBondContact OD1-CB 3.24Å; D72-S74 PolarHBondContact OD1-N 3.16Å; D72-S74 PolarHBondContact OD1-OG 3.28Å; D72-S74 PolarHBondContact OD2-OG 2.94Å; S74-R90 VanDerWaalsContact C-NH1 3.26Å; S74-R90 PolarHBondContact O-NH1 3.47Å
75	E	95	Very high	97.7	Very high	105 Å²	105	30.8 Å²	30.8	49%	0.491	16%	0.161	S	C	.	.	S	Bend	trans	-134.8	166.1	-178.7	-65.2	178.4	-175.1	0	0	111.7	D73 K77	D73-E75 PolarHBondContact O-N 2.84Å; E75-K77 HydrophobicContact CB-CG 4.25Å; E75-K77 PolarHBondContact O-N 3.3Å; E75-K77 WeakPolarHBondContact OE2-CE 3.46Å; E75-K77 IonicContact OE2-NZ 3.61Å
76	D	95.4	Very high	97.5	Very high	69 Å²	69	34.2 Å²	34.2	37%	0.369	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	43.3	179.6	-67.4	-3.7	0	0	0	113.3	V79 R90	D76-V79 HydrophobicContact CB-CG1 4.01Å; D76-R90 IonicContact OD1-CZ 3.74Å; D76-R90 IonicContact OD1-NE 3.55Å; D76-R90 PolarHBondContact OD1-NE 3.01Å; D76-R90 IonicContact OD1-NH2 3.46Å; D76-R90 PolarHBondContact OD1-NH2 3.19Å
77	K	94.9	Very high	97.4	Very high	65 Å²	65	35.1 Å²	35.1	28%	0.283	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-44.6	179.3	-67.4	-178.6	-172.8	160.8	0	112.1	D53 D72 E75	D53-K77 HydrophobicContact CB-CB 3.89Å; D72-K77 IonicContact OD2-NZ 3.54Å; E75-K77 HydrophobicContact CB-CG 4.25Å; E75-K77 PolarHBondContact O-N 3.3Å; E75-K77 WeakPolarHBondContact OE2-CE 3.46Å; E75-K77 IonicContact OE2-NZ 3.61Å
78	S	98.4	Very high	97.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-121.1	104.1	-177	-68.9	0	0	0	0	109.8	K51 D53 S56 R90 L91	K51-S78 CarbonylContact O-C 3.38Å; K51-S78 VanDerWaalsContact O-CA 3.26Å; K51-S78 WeakPolarHBondContact O-CA 3.46Å; D53-S78 PolarHBondContact N-OG 2.91Å; S56-S78 PolarHBondContact OG-OG 3Å; S78-R90 WeakPolarHBondContact O-CA 3.49Å; S78-L91 PolarHBondContact O-N 2.69Å
79	V	98.4	Very high	97.4	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.4	-170.8	-63	0	0	0	0	113.1	K51 D76 Y89 R90	K51-V79 HydrophobicContact CB-CG2 4.45Å; K51-V79 PolarHBondContact N-O 3.29Å; K51-V79 PolarHBondContact O-N 3.35Å; D76-V79 HydrophobicContact CB-CG1 4.01Å; V79-Y89 CarbonylContact C-O 3.54Å; V79-Y89 VanDerWaalsContact CA-O 3.27Å; V79-Y89 WeakPolarHBondContact CA-O 3.31Å; V79-R90 HydrophobicContact CG1-CG 4.11Å
80	L	98.8	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.7	169.2	170.8	64.9	0	0	0	109.3	L48 I50 L85 Y89 A143 L145 I211	L48-L80 HydrophobicContact CD2-CD1 4.5Å; I50-L80 HydrophobicContact CD1-CD1 4.3Å; I50-L80 HydrophobicContact CG1-CD1 3.74Å; L80-L85 HydrophobicContact CD2-CD1 3.72Å; L80-L85 HydrophobicContact CG-CD1 3.64Å; L80-Y89 PolarHBondContact N-O 3.34Å; L80-Y89 PolarHBondContact O-N 3.03Å; L80-A143 HydrophobicContact CD2-CB 4.15Å; L80-L145 HydrophobicContact CD1-CD2 4.27Å; L80-L145 HydrophobicContact CD2-CD2 3.98Å; L80-L145 HydrophobicContact CD2-CG 4.06Å; L80-I211 HydrophobicContact CD2-CD1 4.22Å
81	R	98.6	Very high	97.4	Very high	110 Å²	110	34 Å²	34	42%	0.415	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	172	178.6	-68.7	175.2	-175.6	168.2	-0.9	110.3	S49 S88	S49-R81 PolarHBondContact N-O 3.13Å; S49-R81 PolarHBondContact O-N 3.02Å; R81-S88 PolarHBondContact NE-OG 3.26Å; R81-S88 PolarHBondContact NH2-OG 3.28Å
82	G	98.1	Very high	97.4	Very high	13 Å²	13	38.2 Å²	38.2	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-154.4	176.9	0	0	0	0	0	111.9	L85	G82-L85 WeakPolarHBondContact O-CB 3.32Å; G82-L85 PolarHBondContact O-N 3.26Å; G82-L85 VanDerWaalsContact O-N 3.07Å
83	G	98.1	Very high	97.4	Very high	4 Å²	4	37.9 Å²	37.9	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-136.2	-175.6	0	0	0	0	0	114.2	R46 P47 L85 Y192	R46-G83 VanDerWaalsContact O-CA 3.27Å; R46-G83 WeakPolarHBondContact O-CA 3.49Å; P47-G83 PolarHBondContact O-N 3.08Å; G83-L85 VanDerWaalsContact C-N 3.25Å; G83-L85 PolarHBondContact O-N 3Å; G83-Y192 WeakPolarHBondContact CA-OH 3.25Å
84	P	98.1	Very high	97.5	Very high	28 Å²	28	37 Å²	37	18%	0.182	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.8	175.8	35.9	-37	0	0	0	113.6	L45 T194 T209 I211	L45-P84 HydrophobicContact CD2-CB 3.91Å; P84-T194 HydrophobicContact CB-CG2 4.09Å; P84-T194 HydrophobicContact CG-CG2 4.2Å; P84-T194 WeakPolarHBondContact CG-OG1 3.13Å; P84-T209 HydrophobicContact CB-CG2 4.38Å; P84-T209 HydrophobicContact CG-CG2 3.85Å; P84-I211 HydrophobicContact CG-CD1 3.95Å; P84-I211 HydrophobicContact CG-CG1 3.88Å
85	L	98.4	Very high	97.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.173	C	C	.	.			trans	-84.6	147.1	-168.7	-53.9	176.3	0	0	0	112.5	R46 L80 G82 G83 Y89 A143 T209 I211	R46-L85 PolarHBondContact NH2-O 3.11Å; L80-L85 HydrophobicContact CD2-CD1 3.72Å; L80-L85 HydrophobicContact CG-CD1 3.64Å; G82-L85 WeakPolarHBondContact O-CB 3.32Å; G82-L85 PolarHBondContact O-N 3.26Å; G82-L85 VanDerWaalsContact O-N 3.07Å; G83-L85 VanDerWaalsContact C-N 3.25Å; G83-L85 PolarHBondContact O-N 3Å; L85-Y89 HydrophobicContact CB-CD2 4.21Å; L85-Y89 HydrophobicContact CB-CE2 3.84Å; L85-Y89 HydrophobicContact CD1-CD2 3.86Å; L85-Y89 HydrophobicContact CD1-CE2 4.2Å; L85-Y89 HydrophobicContact CD1-CG 4.26Å; L85-Y89 HydrophobicContact CD2-CE1 4.47Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.42Å; L85-Y89 HydrophobicContact CG-CE2 4.27Å; L85-A143 HydrophobicContact CD1-CB 3.98Å; L85-A143 HydrophobicContact CD2-CB 3.67Å; L85-A143 HydrophobicContact CG-CB 4.5Å; L85-T209 HydrophobicContact CD2-CG2 3.79Å; L85-I211 HydrophobicContact CD1-CD1 4.14Å; L85-I211 HydrophobicContact CD2-CD1 4.24Å; L85-I211 HydrophobicContact CG-CD1 4.14Å
86	T	92.3	Very high	97.7	Very high	110 Å²	110	29.4 Å²	29.4	68%	0.675	15%	0.149	S	C	*	.	S	Bend	trans	-110.3	53	177.1	55.1	0	0	0	0	111.3
87	G	94.8	Very high	97.9	Very high	22 Å²	22	26.2 Å²	26.2	23%	0.227	13%	0.132	C	C	.	.	S	Bend	trans	159.9	-172.6	178.5	0	0	0	0	0	113.5
88	S	98	Very high	98.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.119	C	C	.	.			trans	-92.9	127.7	169.3	-164.8	0	0	0	0	110.3	R81 S126 D127	R81-S88 PolarHBondContact NE-OG 3.26Å; R81-S88 PolarHBondContact NH2-OG 3.28Å; S88-S126 PolarHBondContact O-N 2.96Å; S88-S126 PolarHBondContact O-OG 2.98Å; S88-D127 WeakPolarHBondContact CB-OD1 3.1Å; S88-D127 VanDerWaalsContact CB-OD2 3.3Å; S88-D127 WeakPolarHBondContact CB-OD2 3.41Å; S88-D127 PolarHBondContact N-OD2 2.83Å
89	Y	98.8	Very high	98.1	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.6	179.6	-72.3	-117	0	0	0	109.6	V79 L80 L85 W124 N125 D140 A143	V79-Y89 CarbonylContact C-O 3.54Å; V79-Y89 VanDerWaalsContact CA-O 3.27Å; V79-Y89 WeakPolarHBondContact CA-O 3.31Å; L80-Y89 PolarHBondContact N-O 3.34Å; L80-Y89 PolarHBondContact O-N 3.03Å; L85-Y89 HydrophobicContact CB-CD2 4.21Å; L85-Y89 HydrophobicContact CB-CE2 3.84Å; L85-Y89 HydrophobicContact CD1-CD2 3.86Å; L85-Y89 HydrophobicContact CD1-CE2 4.2Å; L85-Y89 HydrophobicContact CD1-CG 4.26Å; L85-Y89 HydrophobicContact CD2-CE1 4.47Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.42Å; L85-Y89 HydrophobicContact CG-CE2 4.27Å; Y89-W124 CarbonylContact C-O 3.49Å; Y89-W124 WeakPolarHBondContact CA-O 3.38Å; Y89-N125 HydrophobicContact CD1-CB 3.89Å; Y89-N125 VanDerWaalsContact CD1-N 3.34Å; Y89-N125 HydrophobicContact CD2-CB 4.44Å; Y89-N125 HydrophobicContact CE1-CB 3.47Å; Y89-N125 VanDerWaalsContact CE1-CB 3.47Å; Y89-N125 HydrophobicContact CE2-CB 4.04Å; Y89-N125 HydrophobicContact CG-CB 4.35Å; Y89-N125 PolarHBondContact OH-ND2 3.02Å; Y89-D140 WeakPolarHBondContact CE1-O 3.11Å; Y89-D140 PolarHBondContact OH-O 3.07Å; Y89-A143 HydrophobicContact CD1-CB 3.47Å; Y89-A143 VanDerWaalsContact CD1-CB 3.47Å; Y89-A143 HydrophobicContact CE1-CB 3.8Å; Y89-A143 HydrophobicContact CG-CB 4.01Å
90	R	98.8	Very high	98	Very high	46 Å²	46	25.8 Å²	25.8	17%	0.174	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.5	178.9	-75.3	176.4	-168.7	179.4	-0.1	111	D73 S74 D76 S78 V79 R92 H123 W124 S126	D73-R90 HydrophobicContact CB-CB 4.18Å; D73-R90 WeakPolarHBondContact O-CD 3.36Å; D73-R90 PolarHBondContact O-NH1 3.29Å; S74-R90 VanDerWaalsContact C-NH1 3.26Å; S74-R90 PolarHBondContact O-NH1 3.47Å; D76-R90 IonicContact OD1-CZ 3.74Å; D76-R90 IonicContact OD1-NE 3.55Å; D76-R90 PolarHBondContact OD1-NE 3.01Å; D76-R90 IonicContact OD1-NH2 3.46Å; D76-R90 PolarHBondContact OD1-NH2 3.19Å; S78-R90 WeakPolarHBondContact O-CA 3.49Å; V79-R90 HydrophobicContact CG1-CG 4.11Å; R90-R92 PolarHBondContact O-N 3.41Å; R90-H123 CarbonylContact O-C 3.4Å; R90-H123 WeakPolarHBondContact O-CA 3.41Å; R90-H123 WeakPolarHBondContact O-CB 3.48Å; R90-W124 PolarHBondContact N-O 2.78Å; R90-W124 PolarHBondContact O-N 3.32Å; R90-S126 WeakPolarHBondContact CG-OG 3.41Å; R90-S126 PolarHBondContact NE-OG 3.11Å
91	L	98.9	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	121.6	171.3	173.3	63.1	0	0	0	109.7	Y52 F71 S78 V121 P182	Y52-L91 HydrophobicContact CD1-CB 4.35Å; Y52-L91 HydrophobicContact CD1-CD2 3.91Å; Y52-L91 HydrophobicContact CE1-CB 4.07Å; Y52-L91 HydrophobicContact CE1-CD2 4.02Å; Y52-L91 HydrophobicContact CE1-CG 4.47Å; Y52-L91 HydrophobicContact CG-CD2 4.35Å; F71-L91 HydrophobicContact CB-CD2 4.11Å; F71-L91 HydrophobicContact CB-CG 4.04Å; F71-L91 HydrophobicContact CD1-CD2 3.62Å; F71-L91 HydrophobicContact CD1-CG 4.45Å; F71-L91 HydrophobicContact CD2-CD1 4.37Å; F71-L91 HydrophobicContact CD2-CD2 3.72Å; F71-L91 HydrophobicContact CD2-CG 3.88Å; F71-L91 HydrophobicContact CE1-CD2 3.9Å; F71-L91 HydrophobicContact CE2-CD2 4.01Å; F71-L91 HydrophobicContact CE2-CG 4.49Å; F71-L91 HydrophobicContact CG-CD2 3.52Å; F71-L91 HydrophobicContact CG-CG 3.86Å; F71-L91 HydrophobicContact CZ-CD2 4.09Å; S78-L91 PolarHBondContact O-N 2.69Å; L91-V121 HydrophobicContact CD1-CG1 3.34Å; L91-P182 HydrophobicContact CD2-CG 3.62Å
92	R	98.7	Very high	98	Very high	89 Å²	89	24.7 Å²	24.7	34%	0.336	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-52.5	175.5	178.7	65.5	-175.6	-176.5	1	111.4	F71 D73 R90 V122 F132	F71-R92 PolarHBondContact N-O 2.77Å; D73-R92 IonicContact OD1-NH1 2.81Å; D73-R92 PolarHBondContact OD1-NH1 3.4Å; D73-R92 WeakPolarHBondContact OD2-CD 3.45Å; D73-R92 IonicContact OD2-CZ 2.72Å; D73-R92 IonicContact OD2-NE 3.91Å; D73-R92 IonicContact OD2-NH1 3.72Å; D73-R92 PolarHBondContact OD2-NH1 2.89Å; R90-R92 PolarHBondContact O-N 3.41Å; R92-V122 PolarHBondContact N-O 3.28Å; R92-F132 HydrophobicContact CB-CD2 4.05Å; R92-F132 HydrophobicContact CB-CE2 4.24Å; R92-F132 HydrophobicContact CG-CD2 3.86Å; R92-F132 HydrophobicContact CG-CE2 4.06Å; R92-F132 HydrophobicContact CG-CG 4.39Å
93	Q	98.8	Very high	98	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	165.7	-172.4	55.1	85.6	-22.3	0	0	111.1	V69 H95 V122	V69-Q93 CarbonylContact O-C 3.57Å; V69-Q93 WeakPolarHBondContact O-CA 3.48Å; V69-Q93 WeakPolarHBondContact O-CB 3.18Å; Q93-H95 PolarHBondContact NE2-CE1 2.77Å; Q93-H95 PolarHBondContact NE2-ND1 3Å; Q93-H95 VanDerWaalsContact NE2-ND1 3.15Å; Q93-H95 PolarHBondContact OE1-ND1 3.2Å; Q93-V122 HydrophobicContact CG-CB 4.18Å; Q93-V122 PolarHBondContact N-O 3.13Å; Q93-V122 PolarHBondContact O-N 2.9Å
94	F	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.3	154	76.3	-104.4	0	0	0	111.7	F67 N68 V69 F71 L96 L119 H120 V121 I161 F180 P182 L185	F67-F94 HydrophobicContact CE2-CE2 4.04Å; N68-F94 WeakPolarHBondContact CA-O 3.4Å; V69-F94 HydrophobicContact CB-CD1 3.99Å; V69-F94 HydrophobicContact CB-CE1 3.56Å; V69-F94 HydrophobicContact CB-CE2 4.14Å; V69-F94 HydrophobicContact CB-CG 4.43Å; V69-F94 HydrophobicContact CB-CZ 3.64Å; V69-F94 HydrophobicContact CG1-CD1 4.42Å; V69-F94 HydrophobicContact CG1-CE1 3.82Å; V69-F94 HydrophobicContact CG1-CZ 4.22Å; V69-F94 HydrophobicContact CG2-CE1 3.86Å; V69-F94 HydrophobicContact CG2-CE2 3.82Å; V69-F94 HydrophobicContact CG2-CZ 3.39Å; V69-F94 PolarHBondContact N-O 3.4Å; V69-F94 PolarHBondContact O-N 2.85Å; F71-F94 AromaticContact CE2-CD1 3.49Å; F71-F94 HydrophobicContact CE2-CD1 3.49Å; F71-F94 VanDerWaalsContact CE2-CD1 3.49Å; F71-F94 AromaticContact CE2-CE1 3.86Å; F71-F94 HydrophobicContact CE2-CE1 3.86Å; F71-F94 AromaticContact CZ-CD1 3.76Å; F71-F94 HydrophobicContact CZ-CD1 3.76Å; F71-F94 AromaticContact CZ-CE1 3.76Å; F71-F94 HydrophobicContact CZ-CE1 3.76Å; F94-L96 HydrophobicContact CD2-CD1 4.06Å; F94-L96 HydrophobicContact CE2-CD1 4.13Å; F94-L119 HydrophobicContact CB-CD1 3.9Å; F94-L119 HydrophobicContact CD2-CD1 3.5Å; F94-L119 VanDerWaalsContact CD2-CD1 3.5Å; F94-L119 HydrophobicContact CE2-CD1 4.31Å; F94-L119 HydrophobicContact CG-CD1 3.93Å; F94-H120 CarbonylContact C-O 3.55Å; F94-H120 WeakPolarHBondContact CA-O 3.46Å; F94-H120 VanDerWaalsContact CB-O 3.28Å; F94-H120 WeakPolarHBondContact CB-O 3.39Å; F94-V121 HydrophobicContact CB-CB 4.37Å; F94-V121 HydrophobicContact CB-CG1 4.37Å; F94-V121 HydrophobicContact CB-CG2 4.13Å; F94-I161 HydrophobicContact CE2-CD1 3.84Å; F94-I161 HydrophobicContact CZ-CD1 3.7Å; F94-F180 AromaticContact CE1-CD1 3.93Å; F94-F180 HydrophobicContact CE1-CD1 3.93Å; F94-F180 AromaticContact CE1-CE1 3.64Å; F94-F180 HydrophobicContact CE1-CE1 3.64Å; F94-F180 HydrophobicContact CZ-CD1 4.33Å; F94-F180 AromaticContact CZ-CE1 3.8Å; F94-F180 HydrophobicContact CZ-CE1 3.8Å; F94-F180 HydrophobicContact CZ-CZ 4.47Å; F94-P182 HydrophobicContact CD1-CB 4.03Å; F94-P182 HydrophobicContact CE1-CB 4.29Å; F94-L185 HydrophobicContact CE1-CD1 4.37Å; F94-L185 HydrophobicContact CE2-CD1 4.12Å; F94-L185 HydrophobicContact CZ-CD1 3.97Å
95	H	98.9	Very high	98	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	171.5	176	60.5	-73.4	0	0	0	110.7	F67 N68 Q93 H97 H120	F67-H95 VanDerWaalsContact O-CB 3.28Å; F67-H95 WeakPolarHBondContact O-CB 3.3Å; N68-H95 VanDerWaalsContact OD1-CB 3.24Å; N68-H95 WeakPolarHBondContact OD1-CB 3.39Å; Q93-H95 PolarHBondContact NE2-CE1 2.77Å; Q93-H95 PolarHBondContact NE2-ND1 3Å; Q93-H95 VanDerWaalsContact NE2-ND1 3.15Å; Q93-H95 PolarHBondContact OE1-ND1 3.2Å; H95-H97 AromaticContact CD2-NE2 3.45Å; H95-H97 PolarHBondContact CD2-NE2 2.64Å; H95-H97 AromaticContact NE2-NE2 3.36Å; H95-H97 PolarHBondContact NE2-NE2 2.8Å; H95-H120 PolarHBondContact N-O 3.43Å; H95-H120 AromaticContact NE2-ND1 3.69Å; H95-H120 PolarHBondContact O-N 3.44Å
96	L	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.2	-178.8	-72.5	76.6	0	0	0	112	S66 F67 F94 W98 E118 L119 L149 F227 N245	S66-L96 PolarHBondContact OG-N 3.01Å; S66-L96 PolarHBondContact OG-O 2.88Å; F67-L96 HydrophobicContact CE1-CB 4.4Å; F67-L96 HydrophobicContact CE1-CD1 4.1Å; F67-L96 HydrophobicContact CE2-CD1 3.81Å; F67-L96 HydrophobicContact CZ-CB 4.43Å; F67-L96 HydrophobicContact CZ-CD1 3.31Å; F67-L96 HydrophobicContact CZ-CD2 4.41Å; F67-L96 HydrophobicContact CZ-CG 4.24Å; F94-L96 HydrophobicContact CD2-CD1 4.06Å; F94-L96 HydrophobicContact CE2-CD1 4.13Å; L96-W98 HydrophobicContact CB-CE3 4.09Å; L96-W98 HydrophobicContact CB-CZ3 4.22Å; L96-W98 WeakPolarHBondContact O-CZ3 3.4Å; L96-E118 CarbonylContact C-O 3.59Å; L96-E118 WeakPolarHBondContact CA-O 3.48Å; L96-L119 HydrophobicContact CD1-CD1 3.72Å; L96-L119 HydrophobicContact CG-CB 4.13Å; L96-L119 HydrophobicContact CG-CD1 4.17Å; L96-L149 HydrophobicContact CD2-CD2 3.76Å; L96-F227 HydrophobicContact CD2-CD2 4.35Å; L96-F227 HydrophobicContact CD2-CE2 3.53Å; L96-F227 HydrophobicContact CD2-CZ 3.89Å; L96-N245 PolarHBondContact O-ND2 3.1Å
97	H	98.9	Very high	98.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.5	166.7	-62.1	-89.8	0	0	0	109.3	H95 G105 E107 A117 E118 H120 N245 H246	H95-H97 AromaticContact CD2-NE2 3.45Å; H95-H97 PolarHBondContact CD2-NE2 2.64Å; H95-H97 AromaticContact NE2-NE2 3.36Å; H95-H97 PolarHBondContact NE2-NE2 2.8Å; H97-G105 CarbonylContact C-O 3.36Å; H97-E107 HydrophobicContact CB-CG 3.89Å; H97-E107 IonicContact CD2-OE2 3.57Å; H97-E107 IonicContact CE1-OE1 3.93Å; H97-E107 IonicContact CE1-OE2 2.73Å; H97-E107 IonicContact CG-OE2 3.75Å; H97-E107 IonicContact ND1-OE1 3.78Å; H97-E107 PolarHBondContact ND1-OE1 3.17Å; H97-E107 IonicContact ND1-OE2 3.63Å; H97-E107 IonicContact NE2-OE2 3.77Å; H97-E107 PolarHBondContact NE2-OE2 2.77Å; H97-A117 CarbonylContact O-C 3.44Å; H97-A117 WeakPolarHBondContact O-CA 3.38Å; H97-A117 WeakPolarHBondContact O-CB 3.21Å; H97-E118 PolarHBondContact N-O 3.11Å; H97-E118 PolarHBondContact O-N 3Å; H97-H120 AromaticContact CD2-CE1 3.38Å; H97-H120 PolarHBondContact CD2-CE1 3.03Å; H97-H120 AromaticContact CD2-ND1 3.5Å; H97-H120 PolarHBondContact CD2-ND1 3.47Å; H97-H120 AromaticContact CD2-NE2 3.99Å; H97-H120 AromaticContact NE2-CE1 3.5Å; H97-H120 AromaticContact NE2-ND1 3.36Å; H97-H120 PolarHBondContact NE2-ND1 3.1Å; H97-N245 WeakPolarHBondContact CA-OD1 3.5Å; H97-N245 PolarHBondContact ND1-O 2.92Å; H97-H246 HydrophobicContact CB-CB 4.22Å
98	W	98.8	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.4	178.7	60.5	86.6	0	0	0	111.6	F67 L96 G105 A117 L224 F227 L230 L242 S244 N245 H246	F67-W98 HydrophobicContact CD1-CH2 4.21Å; F67-W98 HydrophobicContact CD1-CZ3 4.1Å; F67-W98 HydrophobicContact CE1-CZ3 4.16Å; L96-W98 HydrophobicContact CB-CE3 4.09Å; L96-W98 HydrophobicContact CB-CZ3 4.22Å; L96-W98 WeakPolarHBondContact O-CZ3 3.4Å; W98-G105 VanDerWaalsContact C-CA 3.49Å; W98-A117 HydrophobicContact CB-CB 4.08Å; W98-L224 HydrophobicContact CB-CD1 3.99Å; W98-F227 HydrophobicContact CD2-CB 3.82Å; W98-F227 HydrophobicContact CE3-CB 4.05Å; W98-F227 HydrophobicContact CE3-CD2 4.34Å; W98-F227 HydrophobicContact CE3-CG 4.44Å; W98-F227 HydrophobicContact CG-CB 4.28Å; W98-F227 HydrophobicContact CH2-CB 4.35Å; W98-F227 HydrophobicContact CZ2-CB 4.13Å; W98-F227 WeakPolarHBondContact CZ2-O 3.5Å; W98-F227 HydrophobicContact CZ3-CB 4.31Å; W98-L230 HydrophobicContact CH2-CD1 4.11Å; W98-L230 HydrophobicContact CZ2-CD1 4.44Å; W98-L242 HydrophobicContact CH2-CD2 3.84Å; W98-L242 HydrophobicContact CZ2-CB 4.32Å; W98-L242 HydrophobicContact CZ2-CD2 3.56Å; W98-L242 HydrophobicContact CZ2-CG 3.78Å; W98-L242 PolarHBondContact NE1-O 3.25Å; W98-S244 WeakPolarHBondContact O-CA 3.12Å; W98-N245 VanDerWaalsContact CD2-OD1 3.28Å; W98-N245 WeakPolarHBondContact CZ3-ND2 3.45Å; W98-N245 PolarHBondContact N-OD1 3.27Å; W98-N245 PolarHBondContact O-N 2.98Å; W98-N245 VanDerWaalsContact O-N 3.14Å; W98-N245 PolarHBondContact O-OD1 2.73Å; W98-H246 PolarHBondContact O-ND1 2.84Å
99	G	98	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.			trans	-111.4	173.4	176.8	0	0	0	0	0	112.1	A101 H104 R228 L243	G99-A101 PolarHBondContact O-N 3.12Å; G99-H104 VanDerWaalsContact CA-O 3.26Å; G99-H104 WeakPolarHBondContact CA-O 3.1Å; G99-H104 PolarHBondContact N-O 2.88Å; G99-R228 PolarHBondContact O-NE 3.09Å; G99-R228 PolarHBondContact O-NH2 3.33Å; G99-L243 CarbonylContact C-O 3.52Å
100	S	97.8	Very high	98.6	Very high	65 Å²	65	25 Å²	25	46%	0.455	13%	0.131	S	C	.	.	S	Bend	trans	-71.5	-21.3	-176.6	63.1	0	0	0	0	113.1	H104 R228 L243 S244	S100-H104 PolarHBondContact OG-NE2 3.5Å; S100-R228 PolarHBondContact O-NE 3.45Å; S100-L243 VanDerWaalsContact CA-O 3.24Å; S100-L243 WeakPolarHBondContact CA-O 3.25Å; S100-L243 PolarHBondContact N-O 2.69Å; S100-S244 WeakPolarHBondContact CB-OG 3.47Å; S100-S244 PolarHBondContact N-OG 3.08Å
101	A	98	Very high	98.5	Very high	38 Å²	38	26.5 Å²	26.5	31%	0.314	14%	0.143	S	C	.	.	S	Bend	trans	-133.9	171.2	177.8	0	0	0	0	0	110.8	G99 D103 R228	G99-A101 PolarHBondContact O-N 3.12Å; A101-D103 VanDerWaalsContact C-N 3.3Å; A101-D103 PolarHBondContact O-N 2.81Å; A101-R228 PolarHBondContact O-NH2 2.83Å
102	D	98.6	Very high	98.5	Very high	48 Å²	48	29 Å²	29	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-15.2	-169	-81.9	15.6	0	0	0	114	A116 I151 S221 R228	D102-A116 WeakPolarHBondContact O-CB 3.34Å; D102-I151 HydrophobicContact CB-CD1 3.86Å; D102-I151 HydrophobicContact CB-CG1 3.82Å; D102-S221 WeakPolarHBondContact OD2-CB 3.44Å; D102-S221 PolarHBondContact OD2-OG 3.34Å; D102-R228 IonicContact OD1-CZ 2.95Å; D102-R228 VanDerWaalsContact OD1-CZ 3.31Å; D102-R228 IonicContact OD1-NH1 3.89Å; D102-R228 PolarHBondContact OD1-NH1 2.63Å; D102-R228 IonicContact OD1-NH2 3.77Å; D102-R228 PolarHBondContact OD1-NH2 2.94Å
103	D	97.6	Very high	98.5	Very high	122 Å²	122	28.6 Å²	28.6	65%	0.652	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.9	-177	62.3	-12.8	0	0	0	113.7	A101	A101-D103 VanDerWaalsContact C-N 3.3Å; A101-D103 PolarHBondContact O-N 2.81Å
104	H	97.8	Very high	98.5	Very high	48 Å²	48	31.6 Å²	31.6	22%	0.222	19%	0.186	C	C	.	.			trans	-155.1	158	178.1	65.5	-82	0	0	0	112.4	G99 S100 R114 Y115	G99-H104 VanDerWaalsContact CA-O 3.26Å; G99-H104 WeakPolarHBondContact CA-O 3.1Å; G99-H104 PolarHBondContact N-O 2.88Å; S100-H104 PolarHBondContact OG-NE2 3.5Å; H104-R114 HydrophobicContact CB-CB 4.43Å; H104-Y115 CarbonylContact C-O 3.11Å; H104-Y115 VanDerWaalsContact C-O 3.23Å; H104-Y115 WeakPolarHBondContact CA-O 3.26Å
105	G	98.4	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.			trans	154	-18.6	176.6	0	0	0	0	0	115	H97 W98 Y115 A116 H246	H97-G105 CarbonylContact C-O 3.36Å; W98-G105 VanDerWaalsContact C-CA 3.49Å; G105-Y115 PolarHBondContact N-O 2.89Å; G105-A116 WeakPolarHBondContact CA-O 3.42Å; G105-H246 WeakPolarHBondContact O-CB 3.4Å
106	S	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.			trans	-64.7	147.1	168.2	68.5	0	0	0	0	111.7	H108 R114 Y115	S106-H108 WeakPolarHBondContact CB-O 3.49Å; S106-H108 PolarHBondContact OG-O 3.09Å; S106-R114 PolarHBondContact O-NH1 2.96Å; S106-Y115 PolarHBondContact N-O 3.34Å; S106-Y115 PolarHBondContact OG-N 2.89Å
107	E	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-81.7	-51.7	176.5	-79.6	-158.1	132.5	0	0	109.7	P31 H97 E118 H120 T200 H246 R247	P31-E107 VanDerWaalsContact CB-C 3.43Å; P31-E107 HydrophobicContact CB-CB 3.79Å; P31-E107 WeakPolarHBondContact CB-O 3.26Å; P31-E107 HydrophobicContact CG-CB 3.7Å; P31-E107 HydrophobicContact CG-CG 4.5Å; P31-E107 VanDerWaalsContact CG-O 3.23Å; P31-E107 WeakPolarHBondContact CG-O 3.48Å; H97-E107 HydrophobicContact CB-CG 3.89Å; H97-E107 IonicContact CD2-OE2 3.57Å; H97-E107 IonicContact CE1-OE1 3.93Å; H97-E107 IonicContact CE1-OE2 2.73Å; H97-E107 IonicContact CG-OE2 3.75Å; H97-E107 IonicContact ND1-OE1 3.78Å; H97-E107 PolarHBondContact ND1-OE1 3.17Å; H97-E107 IonicContact ND1-OE2 3.63Å; H97-E107 IonicContact NE2-OE2 3.77Å; H97-E107 PolarHBondContact NE2-OE2 2.77Å; E107-E118 PolarHBondContact N-OE2 3.09Å; E107-H120 IonicContact OE2-CE1 3.45Å; E107-H120 PolarHBondContact OE2-CE1 3.02Å; E107-H120 IonicContact OE2-NE2 3.05Å; E107-T200 WeakPolarHBondContact OE1-CB 3.12Å; E107-T200 PolarHBondContact OE1-OG1 3.43Å; E107-T200 WeakPolarHBondContact OE2-CB 3.3Å; E107-T200 WeakPolarHBondContact OE2-CG2 3.32Å; E107-T200 PolarHBondContact OE2-OG1 3.13Å; E107-H246 HydrophobicContact CG-CB 3.65Å; E107-R247 VanDerWaalsContact OE1-CB 3.25Å; E107-R247 WeakPolarHBondContact OE1-CB 3.26Å; E107-R247 PolarHBondContact OE1-N 3Å
108	H	98.9	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-71	153.1	169.6	-67.2	89.2	0	0	0	111.2	S106 E118 F148 Y195 W210	S106-H108 WeakPolarHBondContact CB-O 3.49Å; S106-H108 PolarHBondContact OG-O 3.09Å; H108-E118 IonicContact CE1-OE1 3.58Å; H108-E118 IonicContact CG-OE1 3.49Å; H108-E118 PolarHBondContact N-OE2 2.92Å; H108-E118 IonicContact ND1-OE1 3.8Å; H108-E118 PolarHBondContact ND1-OE1 2.82Å; H108-E118 IonicContact ND1-OE2 2.81Å; H108-F148 HydrophobicContact CB-CE1 3.74Å; H108-F148 HydrophobicContact CB-CZ 3.66Å; H108-Y195 AromaticContact NE2-CE1 3.49Å; H108-Y195 WeakPolarHBondContact NE2-CE1 3.5Å; H108-Y195 AromaticContact NE2-CZ 3.48Å; H108-Y195 PolarHBondContact NE2-OH 2.98Å; H108-W210 AromaticContact CE1-CD2 3.72Å; H108-W210 AromaticContact CE1-CE2 3.99Å; H108-W210 AromaticContact CE1-CE3 3.48Å; H108-W210 VanDerWaalsContact CE1-CE3 3.48Å; H108-W210 AromaticContact CE1-CH2 3.92Å; H108-W210 AromaticContact CE1-CZ3 3.58Å
109	V	98.8	Very high	98.5	Very high	6 Å²	6	33 Å²	33	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	179.5	-177.7	0	0	0	0	107.8	I32 E33 I34 G112 V113 R114 P249	I32-V109 PolarHBondContact O-N 2.98Å; E33-V109 CarbonylContact C-O 3.57Å; E33-V109 WeakPolarHBondContact CA-O 3.45Å; E33-V109 HydrophobicContact CB-CB 4.39Å; E33-V109 HydrophobicContact CG-CB 4.26Å; E33-V109 HydrophobicContact CG-CG1 4.27Å; I34-V109 PolarHBondContact N-O 2.81Å; V109-G112 VanDerWaalsContact CG1-CA 3.49Å; V109-V113 WeakPolarHBondContact CA-O 3.36Å; V109-V113 WeakPolarHBondContact CG1-O 3.43Å; V109-R114 HydrophobicContact CG1-CG 4.44Å; V109-R114 HydrophobicContact CG2-CG 3.96Å; V109-P249 HydrophobicContact CB-CG 4.48Å; V109-P249 HydrophobicContact CG2-CG 3.59Å
110	V	98.8	Very high	98.5	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.085	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.5	177.4	-175.5	0	0	0	0	108.9	I34 T36 G112 V113 Y115 F148 W193	I34-V110 HydrophobicContact CB-CG2 4.46Å; I34-V110 WeakPolarHBondContact O-CA 3.45Å; T36-V110 HydrophobicContact CG2-CG1 3.78Å; V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.29Å; V110-V113 PolarHBondContact N-O 3Å; V110-V113 WeakPolarHBondContact O-CA 3.1Å; V110-V113 VanDerWaalsContact O-CB 3.24Å; V110-V113 WeakPolarHBondContact O-CB 3.33Å; V110-V113 PolarHBondContact O-N 2.81Å; V110-Y115 HydrophobicContact CG2-CE2 4.43Å; V110-F148 HydrophobicContact CG2-CE2 3.73Å; V110-F148 HydrophobicContact CG2-CZ 3.82Å; V110-W193 HydrophobicContact CG1-CH2 3.97Å; V110-W193 HydrophobicContact CG1-CZ2 4.33Å; V110-W193 HydrophobicContact CG2-CH2 4.22Å; V110-W193 HydrophobicContact CG2-CZ3 4.12Å
111	D	98.5	Very high	98.6	Very high	78 Å²	78	30.1 Å²	30.1	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	47.3	-176.6	-60.5	-41.6	0	0	0	113.6	I34 K35 T36 V113	I34-D111 PolarHBondContact O-N 3.2Å; K35-D111 WeakPolarHBondContact CA-OD1 3.4Å; T36-D111 WeakPolarHBondContact CB-OD2 3.27Å; T36-D111 WeakPolarHBondContact CG2-OD2 3.43Å; T36-D111 PolarHBondContact N-OD1 2.98Å; T36-D111 VanDerWaalsContact OG1-CG 3.31Å; T36-D111 PolarHBondContact OG1-OD1 3.05Å; T36-D111 PolarHBondContact OG1-OD2 3.45Å; D111-V113 PolarHBondContact O-N 3.26Å
112	G	98.2	Very high	98.6	Very high	51 Å²	51	28.5 Å²	28.5	53%	0.526	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-7.4	-175.1	0	0	0	0	0	116.1	E33 V109 V110	E33-G112 PolarHBondContact OE1-N 2.56Å; V109-G112 VanDerWaalsContact CG1-CA 3.49Å; V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.29Å
113	V	98.4	Very high	98.6	Very high	82 Å²	82	26.2 Å²	26.2	50%	0.497	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-84.8	127.9	179.8	-176.4	0	0	0	0	111	V109 V110 D111	V109-V113 WeakPolarHBondContact CA-O 3.36Å; V109-V113 WeakPolarHBondContact CG1-O 3.43Å; V110-V113 PolarHBondContact N-O 3Å; V110-V113 WeakPolarHBondContact O-CA 3.1Å; V110-V113 VanDerWaalsContact O-CB 3.24Å; V110-V113 WeakPolarHBondContact O-CB 3.33Å; V110-V113 PolarHBondContact O-N 2.81Å; D111-V113 PolarHBondContact O-N 3.26Å
114	R	98.4	Very high	98.7	Very high	93 Å²	93	21 Å²	21	35%	0.351	12%	0.115	S	C	.	.			trans	-101	151.9	170.9	-68.7	-177.5	-178.7	-80	-2.1	110.4	H104 S106 V109	H104-R114 HydrophobicContact CB-CB 4.43Å; S106-R114 PolarHBondContact O-NH1 2.96Å; V109-R114 HydrophobicContact CG1-CG 4.44Å; V109-R114 HydrophobicContact CG2-CG 3.96Å
115	Y	98.8	Very high	98.7	Very high	43 Å²	43	18.8 Å²	18.8	17%	0.169	11%	0.105	C	C	.	.			trans	-107.1	165.4	172.3	-66.2	-92.5	0	0	0	110.1	H104 G105 S106 V110 A117 F148 Q150 P216	H104-Y115 CarbonylContact C-O 3.11Å; H104-Y115 VanDerWaalsContact C-O 3.23Å; H104-Y115 WeakPolarHBondContact CA-O 3.26Å; G105-Y115 PolarHBondContact N-O 2.89Å; S106-Y115 PolarHBondContact N-O 3.34Å; S106-Y115 PolarHBondContact OG-N 2.89Å; V110-Y115 HydrophobicContact CG2-CE2 4.43Å; Y115-A117 VanDerWaalsContact C-N 3.29Å; Y115-A117 PolarHBondContact O-N 3.47Å; Y115-F148 HydrophobicContact CD1-CB 3.87Å; Y115-F148 HydrophobicContact CD1-CG 4.42Å; Y115-F148 HydrophobicContact CD2-CB 3.76Å; Y115-F148 AromaticContact CD2-CD1 3.34Å; Y115-F148 HydrophobicContact CD2-CD1 3.34Å; Y115-F148 AromaticContact CD2-CD2 3.97Å; Y115-F148 HydrophobicContact CD2-CD2 3.97Å; Y115-F148 AromaticContact CD2-CE1 3.84Å; Y115-F148 HydrophobicContact CD2-CE1 3.84Å; Y115-F148 HydrophobicContact CD2-CE2 4.4Å; Y115-F148 AromaticContact CD2-CG 3.41Å; Y115-F148 HydrophobicContact CD2-CG 3.41Å; Y115-F148 VanDerWaalsContact CD2-CG 3.41Å; Y115-F148 HydrophobicContact CD2-CZ 4.34Å; Y115-F148 HydrophobicContact CE1-CB 4.2Å; Y115-F148 HydrophobicContact CE2-CB 4.11Å; Y115-F148 AromaticContact CE2-CD1 3.97Å; Y115-F148 HydrophobicContact CE2-CD1 3.97Å; Y115-F148 AromaticContact CE2-CD2 3.74Å; Y115-F148 HydrophobicContact CE2-CD2 3.74Å; Y115-F148 HydrophobicContact CE2-CE1 4.3Å; Y115-F148 HydrophobicContact CE2-CE2 4.09Å; Y115-F148 AromaticContact CE2-CG 3.66Å; Y115-F148 HydrophobicContact CE2-CG 3.66Å; Y115-F148 HydrophobicContact CE2-CZ 4.36Å; Y115-F148 HydrophobicContact CG-CB 3.62Å; Y115-F148 AromaticContact CG-CD1 3.86Å; Y115-F148 HydrophobicContact CG-CD1 3.86Å; Y115-F148 AromaticContact CG-CG 3.82Å; Y115-F148 HydrophobicContact CG-CG 3.82Å; Y115-Q150 HydrophobicContact CD1-CB 3.97Å; Y115-Q150 HydrophobicContact CE1-CB 4.43Å; Y115-P216 HydrophobicContact CD1-CB 4.25Å; Y115-P216 HydrophobicContact CE1-CB 3.93Å; Y115-P216 HydrophobicContact CE1-CG 4.01Å
116	A	98.8	Very high	98.7	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.017	11%	0.112	C	C	.	.	S	Bend	trans	-68.1	-30.7	-174.2	0	0	0	0	0	112.7	D102 G105 L149 I151 L224	D102-A116 WeakPolarHBondContact O-CB 3.34Å; G105-A116 WeakPolarHBondContact CA-O 3.42Å; A116-L149 WeakPolarHBondContact CB-O 3.46Å; A116-L149 PolarHBondContact N-O 3.26Å; A116-I151 HydrophobicContact CB-CD1 3.87Å; A116-I151 HydrophobicContact CB-CG1 4.04Å; A116-L224 HydrophobicContact CB-CD2 3.64Å
117	A	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	171.1	175.5	0	0	0	0	0	110.7	H97 W98 Y115 L149 L224	H97-A117 CarbonylContact O-C 3.44Å; H97-A117 WeakPolarHBondContact O-CA 3.38Å; H97-A117 WeakPolarHBondContact O-CB 3.21Å; W98-A117 HydrophobicContact CB-CB 4.08Å; Y115-A117 VanDerWaalsContact C-N 3.29Å; Y115-A117 PolarHBondContact O-N 3.47Å; A117-L149 HydrophobicContact CB-CB 3.94Å; A117-L149 HydrophobicContact CB-CD2 4.21Å; A117-L149 HydrophobicContact CB-CG 4.48Å; A117-L149 PolarHBondContact N-O 3.1Å; A117-L149 PolarHBondContact O-N 3.12Å; A117-L224 HydrophobicContact CB-CD1 4.14Å
118	E	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.4	175.3	-167.6	177.4	138.4	0	0	110.5	L96 H97 E107 H108 H120 V147 F148	L96-E118 CarbonylContact C-O 3.59Å; L96-E118 WeakPolarHBondContact CA-O 3.48Å; H97-E118 PolarHBondContact N-O 3.11Å; H97-E118 PolarHBondContact O-N 3Å; E107-E118 PolarHBondContact N-OE2 3.09Å; H108-E118 IonicContact CE1-OE1 3.58Å; H108-E118 IonicContact CG-OE1 3.49Å; H108-E118 PolarHBondContact N-OE2 2.92Å; H108-E118 IonicContact ND1-OE1 3.8Å; H108-E118 PolarHBondContact ND1-OE1 2.82Å; H108-E118 IonicContact ND1-OE2 2.81Å; E118-H120 IonicContact OE1-CD2 2.87Å; E118-H120 IonicContact OE1-CE1 2.65Å; E118-H120 IonicContact OE1-NE2 2.73Å; E118-H120 PolarHBondContact OE1-NE2 3.2Å; E118-V147 CarbonylContact C-O 3.44Å; E118-V147 WeakPolarHBondContact CA-O 3.39Å; E118-F148 HydrophobicContact CG-CD1 4.23Å; E118-F148 HydrophobicContact CG-CE1 4.42Å; E118-F148 WeakPolarHBondContact OE2-CE1 3.46Å
119	L	98.9	Very high	98.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.9	174.5	162.1	71.3	0	0	0	109.5	F94 L96 V121 G146 V147 L149 L185	F94-L119 HydrophobicContact CB-CD1 3.9Å; F94-L119 HydrophobicContact CD2-CD1 3.5Å; F94-L119 VanDerWaalsContact CD2-CD1 3.5Å; F94-L119 HydrophobicContact CE2-CD1 4.31Å; F94-L119 HydrophobicContact CG-CD1 3.93Å; L96-L119 HydrophobicContact CD1-CD1 3.72Å; L96-L119 HydrophobicContact CG-CB 4.13Å; L96-L119 HydrophobicContact CG-CD1 4.17Å; L119-V121 HydrophobicContact CD1-CG2 4.21Å; L119-V121 HydrophobicContact CD2-CG2 4.11Å; L119-V121 HydrophobicContact CG-CG2 4.01Å; L119-G146 CarbonylContact O-C 3.47Å; L119-G146 WeakPolarHBondContact O-CA 3.31Å; L119-V147 HydrophobicContact CB-CB 4.17Å; L119-V147 HydrophobicContact CD2-CB 4.23Å; L119-V147 HydrophobicContact CD2-CG2 4.23Å; L119-V147 HydrophobicContact CG-CB 4.49Å; L119-V147 PolarHBondContact N-O 2.93Å; L119-V147 PolarHBondContact O-N 2.93Å; L119-L149 HydrophobicContact CB-CD1 3.8Å; L119-L185 HydrophobicContact CD2-CB 3.7Å; L119-L185 HydrophobicContact CD2-CD1 4.18Å
120	H	98.9	Very high	98.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.5	171.9	-68.6	176.4	0	0	0	110.2	F94 H95 H97 E107 E118 V122 V144 L145 W210	F94-H120 CarbonylContact C-O 3.55Å; F94-H120 WeakPolarHBondContact CA-O 3.46Å; F94-H120 VanDerWaalsContact CB-O 3.28Å; F94-H120 WeakPolarHBondContact CB-O 3.39Å; H95-H120 PolarHBondContact N-O 3.43Å; H95-H120 AromaticContact NE2-ND1 3.69Å; H95-H120 PolarHBondContact O-N 3.44Å; H97-H120 AromaticContact CD2-CE1 3.38Å; H97-H120 PolarHBondContact CD2-CE1 3.03Å; H97-H120 AromaticContact CD2-ND1 3.5Å; H97-H120 PolarHBondContact CD2-ND1 3.47Å; H97-H120 AromaticContact CD2-NE2 3.99Å; H97-H120 AromaticContact NE2-CE1 3.5Å; H97-H120 AromaticContact NE2-ND1 3.36Å; H97-H120 PolarHBondContact NE2-ND1 3.1Å; E107-H120 IonicContact OE2-CE1 3.45Å; E107-H120 PolarHBondContact OE2-CE1 3.02Å; E107-H120 IonicContact OE2-NE2 3.05Å; E118-H120 IonicContact OE1-CD2 2.87Å; E118-H120 IonicContact OE1-CE1 2.65Å; E118-H120 IonicContact OE1-NE2 2.73Å; E118-H120 PolarHBondContact OE1-NE2 3.2Å; H120-V122 HydrophobicContact CB-CG2 4.48Å; H120-V144 HydrophobicContact CB-CG1 3.83Å; H120-L145 WeakPolarHBondContact CA-O 3.26Å; H120-W210 AromaticContact CD2-CH2 3.77Å; H120-W210 AromaticContact CD2-CZ3 3.77Å; H120-W210 AromaticContact CE1-CH2 3.31Å; H120-W210 WeakPolarHBondContact CE1-CH2 3.15Å; H120-W210 AromaticContact CG-CH2 3.9Å; H120-W210 AromaticContact ND1-CH2 3.59Å; H120-W210 AromaticContact NE2-CH2 3.4Å; H120-W210 WeakPolarHBondContact NE2-CH2 3.2Å; H120-W210 AromaticContact NE2-CZ3 3.63Å
121	V	98.9	Very high	98.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	107.8	173	-169.1	0	0	0	0	108.3	L91 F94 L119 H123 V144 L145	L91-V121 HydrophobicContact CD1-CG1 3.34Å; F94-V121 HydrophobicContact CB-CB 4.37Å; F94-V121 HydrophobicContact CB-CG1 4.37Å; F94-V121 HydrophobicContact CB-CG2 4.13Å; L119-V121 HydrophobicContact CD1-CG2 4.21Å; L119-V121 HydrophobicContact CD2-CG2 4.11Å; L119-V121 HydrophobicContact CG-CG2 4.01Å; V121-H123 PolarHBondContact O-CE1 2.95Å; V121-H123 VanDerWaalsContact O-CE1 3.25Å; V121-H123 PolarHBondContact O-ND1 2.76Å; V121-V144 WeakPolarHBondContact O-CA 3.28Å; V121-L145 HydrophobicContact CB-CB 4.11Å; V121-L145 HydrophobicContact CB-CD1 4.49Å; V121-L145 HydrophobicContact CG2-CB 4.48Å; V121-L145 PolarHBondContact N-O 3.3Å; V121-L145 PolarHBondContact O-N 2.85Å
122	V	98.9	Very high	98.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.2	-166.9	-176.4	0	0	0	0	111	R92 Q93 H120 F132 V144	R92-V122 PolarHBondContact N-O 3.28Å; Q93-V122 HydrophobicContact CG-CB 4.18Å; Q93-V122 PolarHBondContact N-O 3.13Å; Q93-V122 PolarHBondContact O-N 2.9Å; H120-V122 HydrophobicContact CB-CG2 4.48Å; V122-F132 HydrophobicContact CG1-CE2 4Å; V122-V144 HydrophobicContact CB-CG2 4.48Å; V122-V144 HydrophobicContact CG1-CG2 4.28Å; V122-V144 HydrophobicContact CG2-CG1 4.45Å; V122-V144 HydrophobicContact CG2-CG2 4.13Å
123	H	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.9	178.5	-45.3	73.5	0	0	0	111.2	Y52 R90 V121 L142 A143	Y52-H123 AromaticContact CE1-NE2 3.5Å; Y52-H123 AromaticContact CZ-NE2 3.5Å; Y52-H123 PolarHBondContact OH-CE1 2.8Å; Y52-H123 PolarHBondContact OH-NE2 2.83Å; R90-H123 CarbonylContact O-C 3.4Å; R90-H123 WeakPolarHBondContact O-CA 3.41Å; R90-H123 WeakPolarHBondContact O-CB 3.48Å; V121-H123 PolarHBondContact O-CE1 2.95Å; V121-H123 VanDerWaalsContact O-CE1 3.25Å; V121-H123 PolarHBondContact O-ND1 2.76Å; H123-L142 WeakPolarHBondContact O-CA 3.44Å; H123-A143 WeakPolarHBondContact CA-O 2.98Å; H123-A143 HydrophobicContact CB-CB 4.45Å; H123-A143 WeakPolarHBondContact CB-O 3.24Å; H123-A143 PolarHBondContact N-O 2.78Å; H123-A143 PolarHBondContact ND1-O 3.38Å; H123-A143 PolarHBondContact O-N 2.81Å
124	W	98.8	Very high	98.4	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.9	175.3	66.3	-79	0	0	0	112.1	D73 Y89 R90 S126 Y129 S131 F132 A135 G141 L142	D73-W124 PolarHBondContact OD2-NE1 2.89Å; Y89-W124 CarbonylContact C-O 3.49Å; Y89-W124 WeakPolarHBondContact CA-O 3.38Å; R90-W124 PolarHBondContact N-O 2.78Å; R90-W124 PolarHBondContact O-N 3.32Å; W124-S126 PolarHBondContact O-N 2.72Å; W124-Y129 VanDerWaalsContact CZ3-O 3.29Å; W124-Y129 WeakPolarHBondContact CZ3-O 3.4Å; W124-S131 VanDerWaalsContact CE3-C 3.49Å; W124-F132 HydrophobicContact CB-CD2 3.75Å; W124-F132 HydrophobicContact CB-CE2 4.47Å; W124-F132 AromaticContact CD1-CD2 3.82Å; W124-F132 HydrophobicContact CD2-CB 4.22Å; W124-F132 HydrophobicContact CG-CB 4.04Å; W124-F132 AromaticContact CG-CD2 3.88Å; W124-F132 HydrophobicContact CG-CD2 3.88Å; W124-F132 HydrophobicContact CG-CG 4.46Å; W124-A135 HydrophobicContact CB-CB 4.09Å; W124-A135 HydrophobicContact CE3-CB 4.15Å; W124-G141 CarbonylContact C-O 3.52Å; W124-G141 VanDerWaalsContact CA-O 3.26Å; W124-G141 WeakPolarHBondContact CA-O 3.18Å; W124-L142 HydrophobicContact CB-CD2 3.7Å
125	N	98.6	Very high	98.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	90	-175.2	-169.3	-19.1	0	0	0	111	Y89 D127 K128 Y129 G141	Y89-N125 HydrophobicContact CD1-CB 3.89Å; Y89-N125 VanDerWaalsContact CD1-N 3.34Å; Y89-N125 HydrophobicContact CD2-CB 4.44Å; Y89-N125 HydrophobicContact CE1-CB 3.47Å; Y89-N125 VanDerWaalsContact CE1-CB 3.47Å; Y89-N125 HydrophobicContact CE2-CB 4.04Å; Y89-N125 HydrophobicContact CG-CB 4.35Å; Y89-N125 PolarHBondContact OH-ND2 3.02Å; N125-D127 VanDerWaalsContact C-N 3.29Å; N125-D127 PolarHBondContact O-N 3.5Å; N125-D127 PolarHBondContact OD1-N 3.38Å; N125-K128 PolarHBondContact OD1-N 3.36Å; N125-Y129 HydrophobicContact CB-CD2 4Å; N125-Y129 HydrophobicContact CB-CE2 4.37Å; N125-Y129 PolarHBondContact O-N 2.81Å; N125-Y129 VanDerWaalsContact O-N 3.08Å; N125-G141 PolarHBondContact N-O 2.9Å
126	S	97.8	Very high	98.4	Very high	20 Å²	20	32.4 Å²	32.4	14%	0.14	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.2	-178	58.3	0	0	0	0	113.7	S88 R90 W124	S88-S126 PolarHBondContact O-N 2.96Å; S88-S126 PolarHBondContact O-OG 2.98Å; R90-S126 WeakPolarHBondContact CG-OG 3.41Å; R90-S126 PolarHBondContact NE-OG 3.11Å; W124-S126 PolarHBondContact O-N 2.72Å
127	D	97.6	Very high	98.3	Very high	100 Å²	100	38.5 Å²	38.5	54%	0.535	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.9	176.6	-69.9	-7.3	0	0	0	111.3	S88 N125	S88-D127 WeakPolarHBondContact CB-OD1 3.1Å; S88-D127 VanDerWaalsContact CB-OD2 3.3Å; S88-D127 WeakPolarHBondContact CB-OD2 3.41Å; S88-D127 PolarHBondContact N-OD2 2.83Å; N125-D127 VanDerWaalsContact C-N 3.29Å; N125-D127 PolarHBondContact O-N 3.5Å; N125-D127 PolarHBondContact OD1-N 3.38Å
128	K	98.1	Very high	98.3	Very high	114 Å²	114	42.5 Å²	42.5	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-36.1	-173.3	-170.1	177.9	175.9	-160.6	0	113.6	N125 D140	N125-K128 PolarHBondContact OD1-N 3.36Å; K128-D140 IonicContact NZ-OD1 3.11Å; K128-D140 PolarHBondContact NZ-OD1 3.15Å; K128-D140 IonicContact NZ-OD2 2.67Å; K128-D140 PolarHBondContact NZ-OD2 2.89Å
129	Y	98.2	Very high	98.2	Very high	23 Å²	23	46.5 Å²	46.5	9%	0.09	25%	0.249	C	C	.	.			trans	-114.7	149.6	-175.7	-57.7	-66.8	0	0	0	110.4	W124 N125 A135 E138 D140	W124-Y129 VanDerWaalsContact CZ3-O 3.29Å; W124-Y129 WeakPolarHBondContact CZ3-O 3.4Å; N125-Y129 HydrophobicContact CB-CD2 4Å; N125-Y129 HydrophobicContact CB-CE2 4.37Å; N125-Y129 PolarHBondContact O-N 2.81Å; N125-Y129 VanDerWaalsContact O-N 3.08Å; Y129-A135 HydrophobicContact CD2-CB 3.73Å; Y129-A135 HydrophobicContact CG-CB 3.98Å; Y129-E138 HydrophobicContact CD1-CG 4.09Å; Y129-E138 HydrophobicContact CE1-CB 3.88Å; Y129-E138 HydrophobicContact CE1-CG 3.37Å; Y129-E138 HydrophobicContact CE2-CB 3.82Å; Y129-E138 HydrophobicContact CE2-CG 4.23Å; Y129-E138 VanDerWaalsContact CZ-CG 3.44Å; Y129-E138 WeakPolarHBondContact OH-CB 3.31Å; Y129-E138 WeakPolarHBondContact OH-CG 3.33Å; Y129-E138 PolarHBondContact OH-OE2 3.42Å; Y129-D140 PolarHBondContact OH-OD1 2.83Å
130	P	97.3	Very high	98.1	Very high	96 Å²	96	48 Å²	48	62%	0.623	26%	0.257	S	S	*	.	S	Bend	trans	-84.8	-11.8	-178.1	34.4	-37.2	0	0	0	113.3	E134	P130-E134 WeakPolarHBondContact CD-OE2 3.23Å; P130-E134 WeakPolarHBondContact CG-OE2 3.33Å
131	S	97.9	Very high	98.1	Very high	40 Å²	40	47.8 Å²	47.8	28%	0.28	26%	0.256	S	S	.	.	S	Bend	trans	-153.5	159.2	177.2	74.3	0	0	0	0	113.1	W124 V133 E134 A135	W124-S131 VanDerWaalsContact CE3-C 3.49Å; S131-V133 PolarHBondContact O-N 3.44Å; S131-V133 PolarHBondContact OG-N 2.88Å; S131-E134 PolarHBondContact O-N 2.82Å; S131-E134 PolarHBondContact OG-N 3.35Å; S131-A135 WeakPolarHBondContact O-CB 3.44Å; S131-A135 PolarHBondContact O-N 2.76Å
132	F	97.9	Very high	98.1	Very high	53 Å²	53	47.8 Å²	47.8	23%	0.232	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-40.1	171.1	176.9	-88.9	0	0	0	112.4	R92 V122 W124 A135 A136 L142	R92-F132 HydrophobicContact CB-CD2 4.05Å; R92-F132 HydrophobicContact CB-CE2 4.24Å; R92-F132 HydrophobicContact CG-CD2 3.86Å; R92-F132 HydrophobicContact CG-CE2 4.06Å; R92-F132 HydrophobicContact CG-CG 4.39Å; V122-F132 HydrophobicContact CG1-CE2 4Å; W124-F132 HydrophobicContact CB-CD2 3.75Å; W124-F132 HydrophobicContact CB-CE2 4.47Å; W124-F132 AromaticContact CD1-CD2 3.82Å; W124-F132 HydrophobicContact CD2-CB 4.22Å; W124-F132 HydrophobicContact CG-CB 4.04Å; W124-F132 AromaticContact CG-CD2 3.88Å; W124-F132 HydrophobicContact CG-CD2 3.88Å; W124-F132 HydrophobicContact CG-CG 4.46Å; F132-A135 PolarHBondContact O-N 2.84Å; F132-A136 HydrophobicContact CE1-CB 4.42Å; F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 2.89Å; F132-L142 HydrophobicContact CD2-CD2 4.03Å; F132-L142 HydrophobicContact CE2-CD2 3.67Å; F132-L142 HydrophobicContact CZ-CD1 4.44Å; F132-L142 HydrophobicContact CZ-CD2 4.24Å
133	V	97.3	Very high	98.1	Very high	96 Å²	96	47.6 Å²	47.6	58%	0.582	25%	0.254	S	S	*	.	H	α-helix	trans	-65.9	-44.2	-176.6	175.4	0	0	0	0	110.9	S131 A136 H137	S131-V133 PolarHBondContact O-N 3.44Å; S131-V133 PolarHBondContact OG-N 2.88Å; V133-A136 PolarHBondContact O-N 2.83Å; V133-H137 PolarHBondContact O-ND1 3.45Å
134	E	98.2	Very high	98.1	Very high	105 Å²	105	47.7 Å²	47.7	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-68.8	-43.7	176.9	-68.5	-172.8	-178	0	0	111.1	P130 S131 A136 H137	P130-E134 WeakPolarHBondContact CD-OE2 3.23Å; P130-E134 WeakPolarHBondContact CG-OE2 3.33Å; S131-E134 PolarHBondContact O-N 2.82Å; S131-E134 PolarHBondContact OG-N 3.35Å; E134-A136 VanDerWaalsContact C-N 3.26Å; E134-A136 PolarHBondContact O-N 2.65Å; E134-H137 PolarHBondContact O-N 3.46Å; E134-H137 VanDerWaalsContact O-N 3.1Å
135	A	98.4	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-38.5	175.4	0	0	0	0	0	112.3	W124 Y129 S131 F132 H137 E138 G141 L142	W124-A135 HydrophobicContact CB-CB 4.09Å; W124-A135 HydrophobicContact CE3-CB 4.15Å; Y129-A135 HydrophobicContact CD2-CB 3.73Å; Y129-A135 HydrophobicContact CG-CB 3.98Å; S131-A135 WeakPolarHBondContact O-CB 3.44Å; S131-A135 PolarHBondContact O-N 2.76Å; F132-A135 PolarHBondContact O-N 2.84Å; A135-H137 PolarHBondContact O-N 3.36Å; A135-E138 PolarHBondContact O-N 3.45Å; A135-G141 WeakPolarHBondContact CB-O 3.22Å; A135-G141 VanDerWaalsContact O-CA 3.28Å; A135-G141 WeakPolarHBondContact O-CA 3.41Å; A135-L142 HydrophobicContact CB-CD2 4.33Å
136	A	98	Very high	98.1	Very high	7 Å²	7	47 Å²	47	6%	0.058	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.5	-180	0	0	0	0	0	114.1	F132 V133 E134 L142 L205 S207	F132-A136 HydrophobicContact CE1-CB 4.42Å; F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 2.89Å; V133-A136 PolarHBondContact O-N 2.83Å; E134-A136 VanDerWaalsContact C-N 3.26Å; E134-A136 PolarHBondContact O-N 2.65Å; A136-L142 HydrophobicContact CB-CD1 4.08Å; A136-L142 HydrophobicContact CB-CD2 4.38Å; A136-L142 HydrophobicContact CB-CG 4.46Å; A136-L205 HydrophobicContact CB-CD1 4.22Å; A136-L205 WeakPolarHBondContact O-CB 3.44Å; A136-L205 WeakPolarHBondContact O-CD1 3.15Å; A136-S207 WeakPolarHBondContact O-CB 3.41Å; A136-S207 PolarHBondContact O-OG 3.41Å
137	H	98	Very high	98.1	Very high	129 Å²	129	46.1 Å²	46.1	60%	0.597	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	2.8	177.2	-67.9	81.4	0	0	0	113.4	V133 E134 A135	V133-H137 PolarHBondContact O-ND1 3.45Å; E134-H137 PolarHBondContact O-N 3.46Å; E134-H137 VanDerWaalsContact O-N 3.1Å; A135-H137 PolarHBondContact O-N 3.36Å
138	E	98.3	Very high	98.2	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	22%	0.221	S	C	.	.	S	Bend	trans	-121.7	137.4	-168.8	-65.8	-82.1	146.4	0	0	110.7	Y129 A135 D140 G141 S207	Y129-E138 HydrophobicContact CD1-CG 4.09Å; Y129-E138 HydrophobicContact CE1-CB 3.88Å; Y129-E138 HydrophobicContact CE1-CG 3.37Å; Y129-E138 HydrophobicContact CE2-CB 3.82Å; Y129-E138 HydrophobicContact CE2-CG 4.23Å; Y129-E138 VanDerWaalsContact CZ-CG 3.44Å; Y129-E138 WeakPolarHBondContact OH-CB 3.31Å; Y129-E138 WeakPolarHBondContact OH-CG 3.33Å; Y129-E138 PolarHBondContact OH-OE2 3.42Å; A135-E138 PolarHBondContact O-N 3.45Å; E138-D140 PolarHBondContact O-N 2.81Å; E138-G141 PolarHBondContact O-N 2.95Å; E138-S207 VanDerWaalsContact O-CA 3.24Å; E138-S207 WeakPolarHBondContact O-CA 3.4Å; E138-S207 WeakPolarHBondContact O-CB 3.42Å
139	S	96.4	Very high	98.2	Very high	85 Å²	85	35.9 Å²	35.9	59%	0.594	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.4	-169.2	55.8	0	0	0	0	115.1
140	D	97.1	Very high	98.3	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	13.7	176.7	66.9	-32.6	0	0	0	112.5	Y89 K128 Y129 E138	Y89-D140 WeakPolarHBondContact CE1-O 3.11Å; Y89-D140 PolarHBondContact OH-O 3.07Å; K128-D140 IonicContact NZ-OD1 3.11Å; K128-D140 PolarHBondContact NZ-OD1 3.15Å; K128-D140 IonicContact NZ-OD2 2.67Å; K128-D140 PolarHBondContact NZ-OD2 2.89Å; Y129-D140 PolarHBondContact OH-OD1 2.83Å; E138-D140 PolarHBondContact O-N 2.81Å
141	G	98.5	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-79.5	-27	-172	0	0	0	0	0	114.2	W124 N125 A135 E138	W124-G141 CarbonylContact C-O 3.52Å; W124-G141 VanDerWaalsContact CA-O 3.26Å; W124-G141 WeakPolarHBondContact CA-O 3.18Å; N125-G141 PolarHBondContact N-O 2.9Å; A135-G141 WeakPolarHBondContact CB-O 3.22Å; A135-G141 VanDerWaalsContact O-CA 3.28Å; A135-G141 WeakPolarHBondContact O-CA 3.41Å; E138-G141 PolarHBondContact O-N 2.95Å
142	L	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.6	178.3	-52.6	-177.5	0	0	0	112.3	H123 W124 F132 A135 A136 L199 S207 V208 T209	H123-L142 WeakPolarHBondContact O-CA 3.44Å; W124-L142 HydrophobicContact CB-CD2 3.7Å; F132-L142 HydrophobicContact CD2-CD2 4.03Å; F132-L142 HydrophobicContact CE2-CD2 3.67Å; F132-L142 HydrophobicContact CZ-CD1 4.44Å; F132-L142 HydrophobicContact CZ-CD2 4.24Å; A135-L142 HydrophobicContact CB-CD2 4.33Å; A136-L142 HydrophobicContact CB-CD1 4.08Å; A136-L142 HydrophobicContact CB-CD2 4.38Å; A136-L142 HydrophobicContact CB-CG 4.46Å; L142-L199 HydrophobicContact CD1-CD2 3.86Å; L142-L199 HydrophobicContact CD1-CG 4.3Å; L142-S207 WeakPolarHBondContact CA-O 3.43Å; L142-S207 WeakPolarHBondContact CB-O 3.49Å; L142-S207 PolarHBondContact N-O 2.76Å; L142-V208 HydrophobicContact CB-CG2 4.07Å; L142-V208 HydrophobicContact CD1-CG2 4.13Å; L142-T209 PolarHBondContact O-N 3.42Å
143	A	98.9	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.7	169.5	0	0	0	0	0	109.5	L80 L85 Y89 H123 T209	L80-A143 HydrophobicContact CD2-CB 4.15Å; L85-A143 HydrophobicContact CD1-CB 3.98Å; L85-A143 HydrophobicContact CD2-CB 3.67Å; L85-A143 HydrophobicContact CG-CB 4.5Å; Y89-A143 HydrophobicContact CD1-CB 3.47Å; Y89-A143 VanDerWaalsContact CD1-CB 3.47Å; Y89-A143 HydrophobicContact CE1-CB 3.8Å; Y89-A143 HydrophobicContact CG-CB 4.01Å; H123-A143 WeakPolarHBondContact CA-O 2.98Å; H123-A143 HydrophobicContact CB-CB 4.45Å; H123-A143 WeakPolarHBondContact CB-O 3.24Å; H123-A143 PolarHBondContact N-O 2.78Å; H123-A143 PolarHBondContact ND1-O 3.38Å; H123-A143 PolarHBondContact O-N 2.81Å; A143-T209 WeakPolarHBondContact CA-O 3.35Å
144	V	98.9	Very high	98.4	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.7	-178.7	-178	0	0	0	0	109.8	H120 V121 V122 V208 T209 W210 I211	H120-V144 HydrophobicContact CB-CG1 3.83Å; V121-V144 WeakPolarHBondContact O-CA 3.28Å; V122-V144 HydrophobicContact CB-CG2 4.48Å; V122-V144 HydrophobicContact CG1-CG2 4.28Å; V122-V144 HydrophobicContact CG2-CG1 4.45Å; V122-V144 HydrophobicContact CG2-CG2 4.13Å; V144-V208 HydrophobicContact CB-CG1 3.88Å; V144-V208 HydrophobicContact CG2-CG1 3.55Å; V144-V208 HydrophobicContact CG2-CG2 4.44Å; V144-T209 PolarHBondContact N-O 3.09Å; V144-T209 VanDerWaalsContact N-O 3.13Å; V144-W210 HydrophobicContact CB-CD2 4.46Å; V144-W210 HydrophobicContact CB-CE3 4.15Å; V144-W210 HydrophobicContact CB-CH2 4.08Å; V144-W210 HydrophobicContact CB-CZ2 4.43Å; V144-W210 HydrophobicContact CB-CZ3 3.97Å; V144-W210 HydrophobicContact CG1-CE3 4.1Å; V144-W210 HydrophobicContact CG1-CH2 3.57Å; V144-W210 HydrophobicContact CG1-CZ2 4.35Å; V144-W210 HydrophobicContact CG1-CZ3 3.45Å; V144-W210 VanDerWaalsContact CG1-CZ3 3.45Å; V144-I211 PolarHBondContact O-N 2.95Å
145	L	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.6	164.8	-57.5	173.3	0	0	0	108	L48 I50 Y52 L80 H120 V121 L186 I211	L48-L145 HydrophobicContact CD1-CD2 4.14Å; I50-L145 HydrophobicContact CD1-CD1 3.84Å; Y52-L145 WeakPolarHBondContact OH-CD1 3.38Å; L80-L145 HydrophobicContact CD1-CD2 4.27Å; L80-L145 HydrophobicContact CD2-CD2 3.98Å; L80-L145 HydrophobicContact CD2-CG 4.06Å; H120-L145 WeakPolarHBondContact CA-O 3.26Å; V121-L145 HydrophobicContact CB-CB 4.11Å; V121-L145 HydrophobicContact CB-CD1 4.49Å; V121-L145 HydrophobicContact CG2-CB 4.48Å; V121-L145 PolarHBondContact N-O 3.3Å; V121-L145 PolarHBondContact O-N 2.85Å; L145-L186 HydrophobicContact CD1-CD1 4.27Å; L145-I211 CarbonylContact C-O 3.19Å; L145-I211 VanDerWaalsContact CA-O 3.29Å; L145-I211 WeakPolarHBondContact CA-O 3.21Å; L145-I211 HydrophobicContact CD2-CB 3.86Å; L145-I211 HydrophobicContact CD2-CD1 4.28Å; L145-I211 HydrophobicContact CD2-CG2 3.62Å
146	G	98.9	Very high	98.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.6	170.7	0	0	0	0	0	110.4	L119 I211 L213	L119-G146 CarbonylContact O-C 3.47Å; L119-G146 WeakPolarHBondContact O-CA 3.31Å; G146-I211 PolarHBondContact N-O 3.01Å; G146-L213 PolarHBondContact O-N 3.01Å
147	V	98.9	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.6	177.6	-171.7	0	0	0	0	109.4	E118 L119 L149 L186 L213 I217	E118-V147 CarbonylContact C-O 3.44Å; E118-V147 WeakPolarHBondContact CA-O 3.39Å; L119-V147 HydrophobicContact CB-CB 4.17Å; L119-V147 HydrophobicContact CD2-CB 4.23Å; L119-V147 HydrophobicContact CD2-CG2 4.23Å; L119-V147 HydrophobicContact CG-CB 4.49Å; L119-V147 PolarHBondContact N-O 2.93Å; L119-V147 PolarHBondContact O-N 2.93Å; V147-L149 WeakPolarHBondContact O-CD1 3.41Å; V147-L186 HydrophobicContact CG2-CD2 3.72Å; V147-L213 HydrophobicContact CG2-CD1 3.9Å; V147-L213 HydrophobicContact CG2-CG 4.33Å; V147-I217 HydrophobicContact CG1-CG1 4.24Å; V147-I217 HydrophobicContact CG1-CG2 4.04Å
148	F	98.9	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.6	175.3	-65.6	-60	0	0	0	111.6	H108 V110 Y115 E118 W193 V212 P216 I217	H108-F148 HydrophobicContact CB-CE1 3.74Å; H108-F148 HydrophobicContact CB-CZ 3.66Å; V110-F148 HydrophobicContact CG2-CE2 3.73Å; V110-F148 HydrophobicContact CG2-CZ 3.82Å; Y115-F148 HydrophobicContact CD1-CB 3.87Å; Y115-F148 HydrophobicContact CD1-CG 4.42Å; Y115-F148 HydrophobicContact CD2-CB 3.76Å; Y115-F148 AromaticContact CD2-CD1 3.34Å; Y115-F148 HydrophobicContact CD2-CD1 3.34Å; Y115-F148 AromaticContact CD2-CD2 3.97Å; Y115-F148 HydrophobicContact CD2-CD2 3.97Å; Y115-F148 AromaticContact CD2-CE1 3.84Å; Y115-F148 HydrophobicContact CD2-CE1 3.84Å; Y115-F148 HydrophobicContact CD2-CE2 4.4Å; Y115-F148 AromaticContact CD2-CG 3.41Å; Y115-F148 HydrophobicContact CD2-CG 3.41Å; Y115-F148 VanDerWaalsContact CD2-CG 3.41Å; Y115-F148 HydrophobicContact CD2-CZ 4.34Å; Y115-F148 HydrophobicContact CE1-CB 4.2Å; Y115-F148 HydrophobicContact CE2-CB 4.11Å; Y115-F148 AromaticContact CE2-CD1 3.97Å; Y115-F148 HydrophobicContact CE2-CD1 3.97Å; Y115-F148 AromaticContact CE2-CD2 3.74Å; Y115-F148 HydrophobicContact CE2-CD2 3.74Å; Y115-F148 HydrophobicContact CE2-CE1 4.3Å; Y115-F148 HydrophobicContact CE2-CE2 4.09Å; Y115-F148 AromaticContact CE2-CG 3.66Å; Y115-F148 HydrophobicContact CE2-CG 3.66Å; Y115-F148 HydrophobicContact CE2-CZ 4.36Å; Y115-F148 HydrophobicContact CG-CB 3.62Å; Y115-F148 AromaticContact CG-CD1 3.86Å; Y115-F148 HydrophobicContact CG-CD1 3.86Å; Y115-F148 AromaticContact CG-CG 3.82Å; Y115-F148 HydrophobicContact CG-CG 3.82Å; E118-F148 HydrophobicContact CG-CD1 4.23Å; E118-F148 HydrophobicContact CG-CE1 4.42Å; E118-F148 WeakPolarHBondContact OE2-CE1 3.46Å; F148-W193 HydrophobicContact CE2-CZ3 4.44Å; F148-V212 HydrophobicContact CD2-CG1 4.41Å; F148-V212 HydrophobicContact CE2-CG1 3.57Å; F148-V212 HydrophobicContact CZ-CG1 3.74Å; F148-P216 HydrophobicContact CB-CB 3.91Å; F148-P216 CarbonylContact O-C 3.55Å; F148-P216 WeakPolarHBondContact O-CA 3.48Å; F148-P216 WeakPolarHBondContact O-CB 3.24Å; F148-I217 PolarHBondContact O-N 2.82Å
149	L	98.9	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.2	172.2	-75.2	74	0	0	0	109	L96 A116 A117 L119 V147 L158 I217 I219	L96-L149 HydrophobicContact CD2-CD2 3.76Å; A116-L149 WeakPolarHBondContact CB-O 3.46Å; A116-L149 PolarHBondContact N-O 3.26Å; A117-L149 HydrophobicContact CB-CB 3.94Å; A117-L149 HydrophobicContact CB-CD2 4.21Å; A117-L149 HydrophobicContact CB-CG 4.48Å; A117-L149 PolarHBondContact N-O 3.1Å; A117-L149 PolarHBondContact O-N 3.12Å; L119-L149 HydrophobicContact CB-CD1 3.8Å; V147-L149 WeakPolarHBondContact O-CD1 3.41Å; L149-L158 HydrophobicContact CD2-CD1 3.83Å; L149-I217 WeakPolarHBondContact CA-O 3.48Å; L149-I217 HydrophobicContact CD1-CD1 4.27Å; L149-I217 HydrophobicContact CD1-CG1 4.21Å; L149-I217 HydrophobicContact CG-CD1 4Å; L149-I217 HydrophobicContact CG-CG1 3.79Å; L149-I219 HydrophobicContact CB-CG2 3.94Å; L149-I219 HydrophobicContact CD2-CB 4.21Å; L149-I219 HydrophobicContact CD2-CD1 4.01Å; L149-I219 HydrophobicContact CD2-CG2 4.3Å
150	Q	98.6	Very high	98.5	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.2	175.9	70.5	-176.8	7.1	0	0	111.2	Y115 G152 P216 I217 N218 I219	Y115-Q150 HydrophobicContact CD1-CB 3.97Å; Y115-Q150 HydrophobicContact CE1-CB 4.43Å; Q150-G152 PolarHBondContact O-N 3.12Å; Q150-P216 HydrophobicContact CB-CB 4.4Å; Q150-P216 HydrophobicContact CG-CB 4.19Å; Q150-P216 HydrophobicContact CG-CG 4.21Å; Q150-I217 PolarHBondContact N-O 3.18Å; Q150-N218 WeakPolarHBondContact CG-OD1 3.19Å; Q150-N218 PolarHBondContact NE2-OD1 2.89Å; Q150-N218 WeakPolarHBondContact O-CA 3.38Å; Q150-I219 PolarHBondContact O-N 3.35Å
151	I	98.8	Very high	98.5	Very high	68 Å²	68	35.3 Å²	35.3	35%	0.349	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.6	172.4	-58.7	-57.9	0	0	0	109.7	D102 A116 I219 L224	D102-I151 HydrophobicContact CB-CD1 3.86Å; D102-I151 HydrophobicContact CB-CG1 3.82Å; A116-I151 HydrophobicContact CB-CD1 3.87Å; A116-I151 HydrophobicContact CB-CG1 4.04Å; I151-I219 WeakPolarHBondContact CA-O 3.33Å; I151-I219 HydrophobicContact CD1-CG2 4.43Å; I151-L224 HydrophobicContact CD1-CD2 3.8Å
152	G	98.4	Very high	98.5	Very high	36 Å²	36	35.3 Å²	35.3	37%	0.371	18%	0.182	S	C	.	.			trans	-173.2	-142.8	178.9	0	0	0	0	0	111.3	Q150 I219	Q150-G152 PolarHBondContact O-N 3.12Å; G152-I219 PolarHBondContact N-O 3.28Å
153	E	98.2	Very high	98.5	Very high	153 Å²	153	40.3 Å²	40.3	72%	0.715	21%	0.209	S	C	*	.	S	Bend	trans	-62.8	152.6	179.2	-63.5	-173.8	139.6	0	0	112.4	N155	E153-N155 PolarHBondContact O-N 2.86Å
154	H	98.4	Very high	98.4	Very high	92 Å²	92	42.5 Å²	42.5	43%	0.426	22%	0.22	S	C	.	.			trans	-56.4	134.7	171.9	176.7	99.4	0	0	0	110.8	P156 Q159 Q223	H154-P156 WeakPolarHBondContact O-CD 3.31Å; H154-Q159 PolarHBondContact CE1-OE1 2.98Å; H154-Q223 PolarHBondContact CE1-NE2 3.2Å; H154-Q223 VanDerWaalsContact CE1-NE2 3.34Å
155	N	98.5	Very high	98.4	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.112	22%	0.22	C	C	.	.			trans	-106.5	107.9	180	-174.7	-36.4	0	0	0	110.9	E153 Q157 L158 Q159 N218 Q223	E153-N155 PolarHBondContact O-N 2.86Å; N155-Q157 PolarHBondContact O-N 2.84Å; N155-Q157 VanDerWaalsContact O-N 3.13Å; N155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; N155-Q157 PolarHBondContact OD1-N 2.82Å; N155-L158 HydrophobicContact CB-CB 4.12Å; N155-L158 HydrophobicContact CB-CD1 3.91Å; N155-L158 HydrophobicContact CB-CG 4.13Å; N155-L158 PolarHBondContact O-N 2.68Å; N155-L158 PolarHBondContact OD1-N 2.91Å; N155-Q159 PolarHBondContact O-N 3.23Å; N155-Q159 VanDerWaalsContact O-N 3.1Å; N155-N218 VanDerWaalsContact CB-O 3.27Å; N155-N218 WeakPolarHBondContact CB-O 3.02Å; N155-N218 PolarHBondContact ND2-O 3.45Å; N155-Q223 PolarHBondContact O-NE2 3.3Å
156	P	98.2	Very high	98.3	Very high	82 Å²	82	46.7 Å²	46.7	53%	0.532	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-24.9	-176.9	-25.3	35.1	0	0	0	114.4	H154 Q159	H154-P156 WeakPolarHBondContact O-CD 3.31Å; P156-Q159 WeakPolarHBondContact O-CB 3.45Å; P156-Q159 PolarHBondContact O-N 3Å
157	Q	97.3	Very high	98.3	Very high	55 Å²	55	49.6 Å²	49.6	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-77.9	-38.9	-179.7	-50.9	-53.7	-30.1	0	0	111.2	N155 Q159 K160 S184 L185	N155-Q157 PolarHBondContact O-N 2.84Å; N155-Q157 VanDerWaalsContact O-N 3.13Å; N155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; N155-Q157 PolarHBondContact OD1-N 2.82Å; Q157-Q159 PolarHBondContact O-N 3.5Å; Q157-K160 PolarHBondContact O-N 2.89Å; Q157-S184 WeakPolarHBondContact CG-O 3.36Å; Q157-L185 HydrophobicContact CB-CD2 3.72Å
158	L	98.3	Very high	98.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-28.2	170.5	-68.8	175.5	0	0	0	111.9	L149 N155 K160 I161 T162 L185 I217 I219	L149-L158 HydrophobicContact CD2-CD1 3.83Å; N155-L158 HydrophobicContact CB-CB 4.12Å; N155-L158 HydrophobicContact CB-CD1 3.91Å; N155-L158 HydrophobicContact CB-CG 4.13Å; N155-L158 PolarHBondContact O-N 2.68Å; N155-L158 PolarHBondContact OD1-N 2.91Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.11Å; L158-I161 HydrophobicContact CD2-CD1 4.28Å; L158-I161 WeakPolarHBondContact O-CB 3.49Å; L158-I161 PolarHBondContact O-N 3.04Å; L158-T162 PolarHBondContact O-N 2.91Å; L158-T162 PolarHBondContact O-OG1 3.02Å; L158-L185 HydrophobicContact CD2-CD2 3.67Å; L158-L185 HydrophobicContact CG-CD2 3.99Å; L158-I217 HydrophobicContact CD1-CD1 4.43Å; L158-I219 HydrophobicContact CD1-CB 3.85Å; L158-I219 HydrophobicContact CD1-CD1 3.9Å; L158-I219 HydrophobicContact CD1-CG1 3.78Å
159	Q	98.4	Very high	98.3	Very high	52 Å²	52	53 Å²	53	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-41.2	178.8	-167.6	57.6	37.9	0	0	112.4	H154 N155 P156 Q157 I161 T162 D163 Q223	H154-Q159 PolarHBondContact CE1-OE1 2.98Å; N155-Q159 PolarHBondContact O-N 3.23Å; N155-Q159 VanDerWaalsContact O-N 3.1Å; P156-Q159 WeakPolarHBondContact O-CB 3.45Å; P156-Q159 PolarHBondContact O-N 3Å; Q157-Q159 PolarHBondContact O-N 3.5Å; Q159-I161 PolarHBondContact O-N 3.21Å; Q159-I161 VanDerWaalsContact O-N 3.11Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 VanDerWaalsContact CD-OG1 3.31Å; Q159-T162 PolarHBondContact NE2-OG1 3.01Å; Q159-T162 PolarHBondContact O-N 3.23Å; Q159-T162 VanDerWaalsContact O-N 3.09Å; Q159-T162 PolarHBondContact O-OG1 3.04Å; Q159-T162 PolarHBondContact OE1-OG1 2.83Å; Q159-D163 PolarHBondContact NE2-OD1 2.89Å; Q159-D163 WeakPolarHBondContact O-CB 3.46Å; Q159-D163 PolarHBondContact O-N 2.77Å; Q159-Q223 VanDerWaalsContact OE1-NE2 3.16Å
160	K	97.7	Very high	98.3	Very high	101 Å²	101	55.6 Å²	55.6	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-30.8	176.2	-62.2	173.5	179.1	169.7	0	112.8	Q157 L158 F180	Q157-K160 PolarHBondContact O-N 2.89Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.11Å; K160-F180 HydrophobicContact CB-CE2 4.24Å; K160-F180 HydrophobicContact CD-CD2 4.18Å; K160-F180 HydrophobicContact CD-CE2 4.07Å
161	I	98.1	Very high	98.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-80.3	-51	176.3	-60	170.1	0	0	0	109.5	I60 F67 F94 L158 Q159 D163 I164 L165 F177 F180 L185	I60-I161 HydrophobicContact CD1-CG2 3.97Å; F67-I161 HydrophobicContact CD2-CG2 4.24Å; F67-I161 HydrophobicContact CE1-CG2 4.43Å; F67-I161 HydrophobicContact CE2-CG2 3.56Å; F67-I161 HydrophobicContact CZ-CG2 3.64Å; F94-I161 HydrophobicContact CE2-CD1 3.84Å; F94-I161 HydrophobicContact CZ-CD1 3.7Å; L158-I161 HydrophobicContact CD2-CD1 4.28Å; L158-I161 WeakPolarHBondContact O-CB 3.49Å; L158-I161 PolarHBondContact O-N 3.04Å; Q159-I161 PolarHBondContact O-N 3.21Å; Q159-I161 VanDerWaalsContact O-N 3.11Å; I161-D163 PolarHBondContact O-N 2.97Å; I161-I164 PolarHBondContact O-N 3.21Å; I161-L165 HydrophobicContact CG2-CD2 4.2Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 3.14Å; I161-F177 HydrophobicContact CG1-CZ 4.02Å; I161-F180 HydrophobicContact CD1-CZ 4.05Å; I161-F180 HydrophobicContact CG1-CE2 4.34Å; I161-F180 HydrophobicContact CG1-CZ 4.3Å; I161-L185 HydrophobicContact CD1-CD1 4.03Å
162	T	98.3	Very high	98.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-26.3	-176.2	55.4	0	0	0	0	114	L158 Q159 I164 L165 Q223 R226 F227	L158-T162 PolarHBondContact O-N 2.91Å; L158-T162 PolarHBondContact O-OG1 3.02Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 VanDerWaalsContact CD-OG1 3.31Å; Q159-T162 PolarHBondContact NE2-OG1 3.01Å; Q159-T162 PolarHBondContact O-N 3.23Å; Q159-T162 VanDerWaalsContact O-N 3.09Å; Q159-T162 PolarHBondContact O-OG1 3.04Å; Q159-T162 PolarHBondContact OE1-OG1 2.83Å; T162-I164 PolarHBondContact O-N 3.04Å; T162-L165 HydrophobicContact CG2-CD1 4.27Å; T162-Q223 HydrophobicContact CG2-CB 4.29Å; T162-R226 HydrophobicContact CG2-CB 3.91Å; T162-R226 HydrophobicContact CG2-CG 4.36Å; T162-F227 HydrophobicContact CG2-CD1 4.24Å; T162-F227 HydrophobicContact CG2-CE1 3.61Å; T162-F227 HydrophobicContact CG2-CZ 4.33Å
163	D	98.1	Very high	98.2	Very high	105 Å²	105	57.1 Å²	57.1	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.3	174.9	-71.9	-19.6	0	0	0	112.7	Q159 I161	Q159-D163 PolarHBondContact NE2-OD1 2.89Å; Q159-D163 WeakPolarHBondContact O-CB 3.46Å; Q159-D163 PolarHBondContact O-N 2.77Å; I161-D163 PolarHBondContact O-N 2.97Å
164	I	97.6	Very high	98.2	Very high	47 Å²	47	55.8 Å²	55.8	24%	0.241	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-15.8	-174.2	-67.4	173.9	0	0	0	112.2	I60 I161 T162 D166 S167 T175 F177	I60-I164 HydrophobicContact CG2-CG2 3.67Å; I161-I164 PolarHBondContact O-N 3.21Å; T162-I164 PolarHBondContact O-N 3.04Å; I164-D166 PolarHBondContact O-N 3.4Å; I164-D166 VanDerWaalsContact O-N 3.11Å; I164-S167 WeakPolarHBondContact CG2-OG 3.43Å; I164-S167 WeakPolarHBondContact O-CB 3.42Å; I164-S167 PolarHBondContact O-N 2.98Å; I164-S167 PolarHBondContact O-OG 2.99Å; I164-T175 HydrophobicContact CG2-CG2 3.49Å; I164-T175 VanDerWaalsContact CG2-CG2 3.49Å; I164-F177 HydrophobicContact CD1-CD2 3.41Å; I164-F177 VanDerWaalsContact CD1-CD2 3.41Å; I164-F177 HydrophobicContact CD1-CE2 3.65Å
165	L	98.1	Very high	98.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58.3	-31.2	-172.7	-64.9	-179	0	0	0	114.3	I60 F67 I161 T162 S167 I168 K169 R226 F227 L230	I60-L165 HydrophobicContact CD1-CD2 4.21Å; F67-L165 HydrophobicContact CB-CD2 4.4Å; F67-L165 HydrophobicContact CD1-CD2 4.15Å; F67-L165 HydrophobicContact CG-CD2 4.19Å; I161-L165 HydrophobicContact CG2-CD2 4.2Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 3.14Å; T162-L165 HydrophobicContact CG2-CD1 4.27Å; L165-S167 PolarHBondContact O-N 2.94Å; L165-I168 HydrophobicContact CD2-CD1 4.1Å; L165-I168 HydrophobicContact CD2-CG1 4.42Å; L165-I168 CarbonylContact O-C 3.23Å; L165-I168 WeakPolarHBondContact O-CG1 3.44Å; L165-I168 PolarHBondContact O-N 2.76Å; L165-I168 VanDerWaalsContact O-N 3.08Å; L165-K169 PolarHBondContact O-N 3Å; L165-K169 VanDerWaalsContact O-N 3.13Å; L165-R226 HydrophobicContact CD1-CB 4.15Å; L165-F227 HydrophobicContact CD1-CD1 3.63Å; L165-F227 HydrophobicContact CD1-CE1 4.08Å; L165-L230 HydrophobicContact CB-CD2 4.09Å; L165-L230 HydrophobicContact CD2-CD1 4.28Å; L165-L230 HydrophobicContact CD2-CD2 4.33Å
166	D	98.2	Very high	98.2	Very high	90 Å²	90	61.9 Å²	61.9	48%	0.481	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-62.9	-29.5	176.4	-71.6	-26.7	0	0	0	112.3	I164 I168 R226	I164-D166 PolarHBondContact O-N 3.4Å; I164-D166 VanDerWaalsContact O-N 3.11Å; D166-I168 PolarHBondContact O-N 3.13Å; D166-R226 IonicContact OD1-CZ 3.63Å; D166-R226 IonicContact OD1-NH1 3.31Å; D166-R226 PolarHBondContact OD1-NH1 2.71Å; D166-R226 IonicContact OD1-NH2 3.71Å; D166-R226 PolarHBondContact OD1-NH2 2.82Å; D166-R226 IonicContact OD2-CZ 2.81Å; D166-R226 IonicContact OD2-NH1 2.76Å; D166-R226 IonicContact OD2-NH2 2.88Å; D166-R226 PolarHBondContact OD2-NH2 2.77Å
167	S	98.3	Very high	98.2	Very high	61 Å²	61	58.6 Å²	58.6	43%	0.427	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-75.1	-13.4	177.3	73.4	0	0	0	0	113.9	I164 L165 T175	I164-S167 WeakPolarHBondContact CG2-OG 3.43Å; I164-S167 WeakPolarHBondContact O-CB 3.42Å; I164-S167 PolarHBondContact O-N 2.98Å; I164-S167 PolarHBondContact O-OG 2.99Å; L165-S167 PolarHBondContact O-N 2.94Å; S167-T175 VanDerWaalsContact OG-CG2 3.3Å; S167-T175 WeakPolarHBondContact OG-CG2 3.49Å
168	I	98.6	Very high	98.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-126.4	29.3	178.5	61	158.9	0	0	0	111.5	I60 N62 F67 L165 D166 E170 K173 T175	I60-I168 HydrophobicContact CD1-CD1 3.9Å; I60-I168 HydrophobicContact CG1-CD1 3.7Å; I60-I168 HydrophobicContact CG2-CD1 4.29Å; N62-I168 HydrophobicContact CB-CB 4.29Å; N62-I168 HydrophobicContact CB-CD1 4.35Å; N62-I168 WeakPolarHBondContact CB-O 3.41Å; N62-I168 PolarHBondContact ND2-O 3.46Å; F67-I168 HydrophobicContact CB-CD1 4.02Å; L165-I168 HydrophobicContact CD2-CD1 4.1Å; L165-I168 HydrophobicContact CD2-CG1 4.42Å; L165-I168 CarbonylContact O-C 3.23Å; L165-I168 WeakPolarHBondContact O-CG1 3.44Å; L165-I168 PolarHBondContact O-N 2.76Å; L165-I168 VanDerWaalsContact O-N 3.08Å; D166-I168 PolarHBondContact O-N 3.13Å; I168-E170 VanDerWaalsContact C-N 3.35Å; I168-E170 PolarHBondContact O-N 2.81Å; I168-K173 HydrophobicContact CB-CB 4.22Å; I168-K173 HydrophobicContact CG2-CB 4.41Å; I168-T175 HydrophobicContact CG2-CG2 4.01Å
169	K	98.5	Very high	98.1	Very high	71 Å²	71	63.8 Å²	63.8	31%	0.309	33%	0.326	S	S	.	.			trans	-59.4	-44	-170.9	-173.1	175.2	-177.6	177.4	0	112.6	N62 L165 S229 L231	N62-K169 PolarHBondContact ND2-O 3.37Å; L165-K169 PolarHBondContact O-N 3Å; L165-K169 VanDerWaalsContact O-N 3.13Å; K169-S229 WeakPolarHBondContact CE-O 3.47Å; K169-L231 HydrophobicContact CG-CG 4.23Å; K169-L231 PolarHBondContact O-N 3Å
170	E	98.6	Very high	98	Very high	54 Å²	54	61.6 Å²	61.6	25%	0.252	32%	0.316	S	S	.	.	S	Bend	trans	-84.4	150.7	178.9	-56.7	77.7	-170.7	0	0	112.8	N62 I168 G172 K173 L231 E235	N62-E170 PolarHBondContact ND2-O 3.13Å; I168-E170 VanDerWaalsContact C-N 3.35Å; I168-E170 PolarHBondContact O-N 2.81Å; E170-G172 PolarHBondContact O-N 3.04Å; E170-K173 HydrophobicContact CB-CG 3.97Å; E170-K173 WeakPolarHBondContact O-CB 3.28Å; E170-K173 WeakPolarHBondContact O-CG 3.14Å; E170-K173 PolarHBondContact O-N 3.21Å; E170-L231 HydrophobicContact CG-CD1 4.27Å; E170-E235 HydrophobicContact CB-CB 4.45Å; E170-E235 HydrophobicContact CG-CB 4.23Å
171	K	98.2	Very high	98	Very high	79 Å²	79	59 Å²	59	34%	0.343	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-55.4	137	172.4	172.6	178.1	-177.8	171.6	0	111.1	K173 C232 T233	K171-K173 VanDerWaalsContact C-N 3.26Å; K171-K173 PolarHBondContact O-N 3.01Å; K171-C232 VanDerWaalsContact CD-O 3.29Å; K171-C232 WeakPolarHBondContact CD-O 3.5Å; K171-T233 WeakPolarHBondContact CB-O 3.26Å; K171-T233 PolarHBondContact N-O 2.89Å
172	G	98.1	Very high	97.9	Very high	63 Å²	63	59 Å²	59	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-7.3	178.7	0	0	0	0	0	114	N62 E170	N62-G172 PolarHBondContact O-N 3.23Å; E170-G172 PolarHBondContact O-N 3.04Å
173	K	98.6	Very high	97.9	Very high	71 Å²	71	61.6 Å²	61.6	31%	0.309	32%	0.321	S	S	.	.			trans	-74.5	145.3	172.6	-64	-70.1	-175.1	175.8	0	110.5	S61 N62 I168 E170 K171 E235	S61-K173 CarbonylContact C-O 3.48Å; S61-K173 WeakPolarHBondContact CA-O 3.5Å; N62-K173 PolarHBondContact N-O 2.95Å; I168-K173 HydrophobicContact CB-CB 4.22Å; I168-K173 HydrophobicContact CG2-CB 4.41Å; E170-K173 HydrophobicContact CB-CG 3.97Å; E170-K173 WeakPolarHBondContact O-CB 3.28Å; E170-K173 WeakPolarHBondContact O-CG 3.14Å; E170-K173 PolarHBondContact O-N 3.21Å; K171-K173 VanDerWaalsContact C-N 3.26Å; K171-K173 PolarHBondContact O-N 3.01Å; K173-E235 VanDerWaalsContact CE-OE2 3.26Å; K173-E235 WeakPolarHBondContact CE-OE2 3.35Å; K173-E235 IonicContact NZ-OE2 3.82Å; K173-E235 PolarHBondContact NZ-OE2 3.06Å
174	Q	98.6	Very high	97.8	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	153.6	175	67.2	-179.8	22.5	0	0	110.2	I60	I60-Q174 CarbonylContact O-C 3.56Å; I60-Q174 VanDerWaalsContact O-CA 3.26Å; I60-Q174 WeakPolarHBondContact O-CA 3.48Å
175	T	98.6	Very high	97.8	Very high	52 Å²	52	56.4 Å²	56.4	32%	0.319	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	166.9	171.7	-165.9	0	0	0	0	110.7	I59 I60 I164 S167 I168 F177	I59-T175 VanDerWaalsContact CA-O 3.31Å; I59-T175 WeakPolarHBondContact CA-O 3.46Å; I60-T175 HydrophobicContact CG2-CG2 3.59Å; I60-T175 PolarHBondContact N-O 2.64Å; I60-T175 PolarHBondContact O-N 3.12Å; I164-T175 HydrophobicContact CG2-CG2 3.49Å; I164-T175 VanDerWaalsContact CG2-CG2 3.49Å; S167-T175 VanDerWaalsContact OG-CG2 3.3Å; S167-T175 WeakPolarHBondContact OG-CG2 3.49Å; I168-T175 HydrophobicContact CG2-CG2 4.01Å; T175-F177 PolarHBondContact O-N 2.85Å
176	R	98.1	Very high	97.8	Very high	190 Å²	190	57.2 Å²	57.2	72%	0.717	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.5	176.4	-176.1	174	177.9	172.5	3.8	110	T178	R176-T178 HydrophobicContact CG-CG2 3.68Å; R176-T178 VanDerWaalsContact NE-CG2 3.25Å
177	F	97.9	Very high	97.8	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.053	28%	0.281	C	S	.	.			trans	-141	101.2	175.2	-173.3	-105.2	0	0	0	108.5	A57 K58 I60 V69 I161 I164 T175 F180	A57-F177 CarbonylContact C-O 3.58Å; A57-F177 WeakPolarHBondContact CB-O 3.43Å; K58-F177 CarbonylContact C-O 3.57Å; K58-F177 PolarHBondContact N-O 2.85Å; K58-F177 PolarHBondContact O-N 2.98Å; I60-F177 HydrophobicContact CB-CB 3.8Å; I60-F177 HydrophobicContact CB-CG 4.17Å; I60-F177 HydrophobicContact CG2-CB 3.79Å; I60-F177 HydrophobicContact CG2-CD2 4.49Å; I60-F177 HydrophobicContact CG2-CG 4.31Å; V69-F177 HydrophobicContact CB-CD1 4.46Å; V69-F177 HydrophobicContact CG1-CD1 3.55Å; V69-F177 HydrophobicContact CG1-CE1 3.92Å; V69-F177 HydrophobicContact CG2-CD1 3.99Å; V69-F177 HydrophobicContact CG2-CE1 4.03Å; I161-F177 HydrophobicContact CG1-CZ 4.02Å; I164-F177 HydrophobicContact CD1-CD2 3.41Å; I164-F177 VanDerWaalsContact CD1-CD2 3.41Å; I164-F177 HydrophobicContact CD1-CE2 3.65Å; T175-F177 PolarHBondContact O-N 2.85Å; F177-F180 HydrophobicContact CD1-CB 4.1Å; F177-F180 HydrophobicContact CD1-CG 4.45Å; F177-F180 HydrophobicContact CE1-CB 3.41Å; F177-F180 VanDerWaalsContact CE1-CB 3.41Å; F177-F180 AromaticContact CE1-CD1 3.81Å; F177-F180 HydrophobicContact CE1-CD1 3.81Å; F177-F180 AromaticContact CE1-CD2 3.73Å; F177-F180 HydrophobicContact CE1-CD2 3.73Å; F177-F180 HydrophobicContact CE1-CE2 4.44Å; F177-F180 AromaticContact CE1-CG 3.35Å; F177-F180 HydrophobicContact CE1-CG 3.35Å; F177-F180 HydrophobicContact CE2-CD2 4.5Å; F177-F180 HydrophobicContact CZ-CB 3.87Å; F177-F180 HydrophobicContact CZ-CD1 4.31Å; F177-F180 AromaticContact CZ-CD2 3.41Å; F177-F180 HydrophobicContact CZ-CD2 3.41Å; F177-F180 VanDerWaalsContact CZ-CD2 3.41Å; F177-F180 AromaticContact CZ-CE2 3.99Å; F177-F180 HydrophobicContact CZ-CE2 3.99Å; F177-F180 AromaticContact CZ-CG 3.59Å; F177-F180 HydrophobicContact CZ-CG 3.59Å
178	T	96.7	Very high	97.7	Very high	48 Å²	48	59.3 Å²	59.3	29%	0.294	30%	0.302	S	S	.	.			trans	-126.1	163.3	-171.3	55.9	0	0	0	0	111.4	A57 R176	A57-T178 WeakPolarHBondContact O-CA 3.38Å; A57-T178 WeakPolarHBondContact O-CG2 3.25Å; R176-T178 HydrophobicContact CG-CG2 3.68Å; R176-T178 VanDerWaalsContact NE-CG2 3.25Å
179	N	96.3	Very high	97.7	Very high	117 Å²	117	61.1 Å²	61.1	63%	0.626	31%	0.314	S	S	*	.	S	Bend	trans	60.7	44.2	178.3	-55.7	-36.7	0	0	0	112.5	P54	P54-N179 CarbonylContact O-C 3.52Å; P54-N179 WeakPolarHBondContact O-CA 3.43Å; P54-N179 PolarHBondContact O-N 2.84Å
180	F	97.7	Very high	97.6	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.026	32%	0.315	C	S	.	.			trans	-119.7	124.1	178.9	-173.9	-92.2	0	0	0	110.1	P54 A57 F94 K160 I161 F177 P182 L185	P54-F180 WeakPolarHBondContact CA-O 3.33Å; P54-F180 PolarHBondContact O-N 2.88Å; A57-F180 HydrophobicContact CB-CB 4.09Å; F94-F180 AromaticContact CE1-CD1 3.93Å; F94-F180 HydrophobicContact CE1-CD1 3.93Å; F94-F180 AromaticContact CE1-CE1 3.64Å; F94-F180 HydrophobicContact CE1-CE1 3.64Å; F94-F180 HydrophobicContact CZ-CD1 4.33Å; F94-F180 AromaticContact CZ-CE1 3.8Å; F94-F180 HydrophobicContact CZ-CE1 3.8Å; F94-F180 HydrophobicContact CZ-CZ 4.47Å; K160-F180 HydrophobicContact CB-CE2 4.24Å; K160-F180 HydrophobicContact CD-CD2 4.18Å; K160-F180 HydrophobicContact CD-CE2 4.07Å; I161-F180 HydrophobicContact CD1-CZ 4.05Å; I161-F180 HydrophobicContact CG1-CE2 4.34Å; I161-F180 HydrophobicContact CG1-CZ 4.3Å; F177-F180 HydrophobicContact CD1-CB 4.1Å; F177-F180 HydrophobicContact CD1-CG 4.45Å; F177-F180 HydrophobicContact CE1-CB 3.41Å; F177-F180 VanDerWaalsContact CE1-CB 3.41Å; F177-F180 AromaticContact CE1-CD1 3.81Å; F177-F180 HydrophobicContact CE1-CD1 3.81Å; F177-F180 AromaticContact CE1-CD2 3.73Å; F177-F180 HydrophobicContact CE1-CD2 3.73Å; F177-F180 HydrophobicContact CE1-CE2 4.44Å; F177-F180 AromaticContact CE1-CG 3.35Å; F177-F180 HydrophobicContact CE1-CG 3.35Å; F177-F180 HydrophobicContact CE2-CD2 4.5Å; F177-F180 HydrophobicContact CZ-CB 3.87Å; F177-F180 HydrophobicContact CZ-CD1 4.31Å; F177-F180 AromaticContact CZ-CD2 3.41Å; F177-F180 HydrophobicContact CZ-CD2 3.41Å; F177-F180 VanDerWaalsContact CZ-CD2 3.41Å; F177-F180 AromaticContact CZ-CE2 3.99Å; F177-F180 HydrophobicContact CZ-CE2 3.99Å; F177-F180 AromaticContact CZ-CG 3.59Å; F177-F180 HydrophobicContact CZ-CG 3.59Å; F180-P182 HydrophobicContact CE1-CB 4.49Å; F180-P182 WeakPolarHBondContact O-CD 3.32Å; F180-L185 HydrophobicContact CE1-CD1 3.82Å; F180-L185 HydrophobicContact CE1-CG 4.19Å; F180-L185 HydrophobicContact CZ-CD1 3.75Å; F180-L185 HydrophobicContact CZ-CD2 4.21Å; F180-L185 HydrophobicContact CZ-CG 3.88Å
181	D	97.3	Very high	97.6	Very high	46 Å²	46	62 Å²	62	25%	0.246	32%	0.318	C	S	.	.			trans	-95.5	109.9	176.4	-167.6	-14.2	0	0	0	110.4	P54 L183 S184	P54-D181 HydrophobicContact CB-CB 4.23Å; P54-D181 HydrophobicContact CG-CB 3.91Å; D181-L183 PolarHBondContact O-N 2.88Å; D181-L183 WeakPolarHBondContact OD1-CB 3.1Å; D181-L183 PolarHBondContact OD1-N 3.21Å; D181-S184 VanDerWaalsContact O-CB 3.32Å; D181-S184 WeakPolarHBondContact O-CB 3.36Å; D181-S184 PolarHBondContact O-N 3.06Å; D181-S184 VanDerWaalsContact O-N 3.12Å; D181-S184 PolarHBondContact O-OG 2.91Å
182	P	95.8	Very high	97.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-68.3	-13.1	177.2	23.9	-25.1	0	0	0	112.9	Y52 F71 L91 F94 F180 S184 L185	Y52-P182 HydrophobicContact CD2-CB 4.26Å; Y52-P182 HydrophobicContact CD2-CG 3.55Å; Y52-P182 HydrophobicContact CE2-CB 4.34Å; Y52-P182 HydrophobicContact CE2-CG 3.95Å; Y52-P182 HydrophobicContact CG-CG 3.91Å; F71-P182 HydrophobicContact CE1-CG 3.82Å; F71-P182 HydrophobicContact CE2-CG 4.47Å; F71-P182 HydrophobicContact CZ-CB 4.18Å; F71-P182 HydrophobicContact CZ-CG 3.67Å; L91-P182 HydrophobicContact CD2-CG 3.62Å; F94-P182 HydrophobicContact CD1-CB 4.03Å; F94-P182 HydrophobicContact CE1-CB 4.29Å; F180-P182 HydrophobicContact CE1-CB 4.49Å; F180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-S184 PolarHBondContact O-N 3.4Å; P182-L185 WeakPolarHBondContact O-CB 3.32Å; P182-L185 PolarHBondContact O-N 2.71Å
183	L	97.3	Very high	97.7	Very high	56 Å²	56	56 Å²	56	29%	0.293	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29.6	171.7	-160.6	75.2	0	0	0	111.1	I50 Y52 D181 L185 L186 W190	I50-L183 HydrophobicContact CB-CD1 3.95Å; I50-L183 HydrophobicContact CG2-CD1 3.63Å; Y52-L183 HydrophobicContact CD2-CB 3.96Å; Y52-L183 HydrophobicContact CD2-CD1 4.21Å; Y52-L183 HydrophobicContact CE2-CD1 4.36Å; D181-L183 PolarHBondContact O-N 2.88Å; D181-L183 WeakPolarHBondContact OD1-CB 3.1Å; D181-L183 PolarHBondContact OD1-N 3.21Å; L183-L185 PolarHBondContact O-N 3.01Å; L183-L186 HydrophobicContact CD1-CD1 3.83Å; L183-L186 WeakPolarHBondContact O-CB 3.11Å; L183-L186 PolarHBondContact O-N 3.25Å; L183-W190 HydrophobicContact CD1-CH2 4Å; L183-W190 HydrophobicContact CD1-CZ2 3.75Å; L183-W190 HydrophobicContact CG-CZ2 4.41Å
184	S	96.9	Very high	97.7	Very high	41 Å²	41	52.7 Å²	52.7	29%	0.287	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-68.3	-11.2	177	75.3	0	0	0	0	114	Q157 D181 P182	Q157-S184 WeakPolarHBondContact CG-O 3.36Å; D181-S184 VanDerWaalsContact O-CB 3.32Å; D181-S184 WeakPolarHBondContact O-CB 3.36Å; D181-S184 PolarHBondContact O-N 3.06Å; D181-S184 VanDerWaalsContact O-N 3.12Å; D181-S184 PolarHBondContact O-OG 2.91Å; P182-S184 PolarHBondContact O-N 3.4Å
185	L	98.1	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-100.3	6.4	173.1	-58.6	-179.9	0	0	0	112.8	F94 L119 Q157 L158 I161 F180 P182 L183	F94-L185 HydrophobicContact CE1-CD1 4.37Å; F94-L185 HydrophobicContact CE2-CD1 4.12Å; F94-L185 HydrophobicContact CZ-CD1 3.97Å; L119-L185 HydrophobicContact CD2-CB 3.7Å; L119-L185 HydrophobicContact CD2-CD1 4.18Å; Q157-L185 HydrophobicContact CB-CD2 3.72Å; L158-L185 HydrophobicContact CD2-CD2 3.67Å; L158-L185 HydrophobicContact CG-CD2 3.99Å; I161-L185 HydrophobicContact CD1-CD1 4.03Å; F180-L185 HydrophobicContact CE1-CD1 3.82Å; F180-L185 HydrophobicContact CE1-CG 4.19Å; F180-L185 HydrophobicContact CZ-CD1 3.75Å; F180-L185 HydrophobicContact CZ-CD2 4.21Å; F180-L185 HydrophobicContact CZ-CG 3.88Å; P182-L185 WeakPolarHBondContact O-CB 3.32Å; P182-L185 PolarHBondContact O-N 2.71Å; L183-L185 PolarHBondContact O-N 3.01Å
186	L	98.3	Very high	97.7	Very high	18 Å²	18	47 Å²	47	9%	0.094	23%	0.234	C	C	.	.	S	Bend	trans	-92.9	149.4	173.5	-57.4	-167.5	0	0	0	110.8	I50 L145 V147 L183 L213	I50-L186 HydrophobicContact CD1-CD1 3.5Å; L145-L186 HydrophobicContact CD1-CD1 4.27Å; V147-L186 HydrophobicContact CG2-CD2 3.72Å; L183-L186 HydrophobicContact CD1-CD1 3.83Å; L183-L186 WeakPolarHBondContact O-CB 3.11Å; L183-L186 PolarHBondContact O-N 3.25Å; L186-L213 HydrophobicContact CD2-CD1 4.29Å
187	P	97.9	Very high	97.7	Very high	9 Å²	9	38 Å²	38	6%	0.058	20%	0.201	C	C	.	.			trans	-66.5	168.7	172.2	31.7	-39.1	0	0	0	112	S189 W190 L213 Q215 I217	P187-S189 VanDerWaalsContact CG-O 3.3Å; P187-S189 WeakPolarHBondContact CG-O 3.44Å; P187-W190 PolarHBondContact O-NE1 3.18Å; P187-W190 VanDerWaalsContact O-NE1 3.13Å; P187-L213 VanDerWaalsContact CD-CD1 3.48Å; P187-L213 HydrophobicContact CG-CB 4.19Å; P187-L213 HydrophobicContact CG-CD1 3.62Å; P187-Q215 HydrophobicContact CB-CB 3.78Å; P187-Q215 HydrophobicContact CB-CG 3.8Å; P187-Q215 WeakPolarHBondContact CB-O 2.96Å; P187-Q215 HydrophobicContact CG-CB 4.23Å; P187-Q215 VanDerWaalsContact CG-O 3.31Å; P187-Q215 WeakPolarHBondContact CG-O 3.07Å; P187-I217 HydrophobicContact CB-CG2 4.11Å
188	Q	96.3	Very high	97.8	Very high	186 Å²	186	37.5 Å²	37.5	87%	0.869	20%	0.198	S	C	*	.	S	Bend	trans	-67.4	-41.6	178	-173.2	-179.8	8.6	0	0	112.6
189	S	97.3	Very high	97.9	Very high	38 Å²	38	36.6 Å²	36.6	27%	0.266	19%	0.192	S	C	.	.			trans	-92.2	133.9	172.5	178.9	0	0	0	0	110.6	P187 D191 Q215	P187-S189 VanDerWaalsContact CG-O 3.3Å; P187-S189 WeakPolarHBondContact CG-O 3.44Å; S189-D191 PolarHBondContact OG-N 3.04Å; S189-D191 PolarHBondContact OG-OD2 3.22Å; S189-Q215 VanDerWaalsContact CB-OE1 3.26Å
190	W	97.6	Very high	98	Very high	86 Å²	86	31.2 Å²	31.2	33%	0.326	16%	0.163	S	C	.	.			trans	-103.4	28.3	174	-60.2	-10.8	0	0	0	112	L48 I50 L183 P187 Y192	L48-W190 HydrophobicContact CB-CE3 4.18Å; L48-W190 HydrophobicContact CD1-CB 4.33Å; I50-W190 HydrophobicContact CB-CH2 4.18Å; I50-W190 HydrophobicContact CB-CZ3 4.3Å; I50-W190 HydrophobicContact CD1-CD2 4.37Å; I50-W190 HydrophobicContact CD1-CE3 4.21Å; I50-W190 HydrophobicContact CD1-CH2 4.29Å; I50-W190 HydrophobicContact CD1-CZ2 4.45Å; I50-W190 HydrophobicContact CD1-CZ3 4.16Å; I50-W190 HydrophobicContact CG1-CE3 4.5Å; I50-W190 HydrophobicContact CG1-CH2 4.37Å; I50-W190 HydrophobicContact CG1-CZ3 4.11Å; L183-W190 HydrophobicContact CD1-CH2 4Å; L183-W190 HydrophobicContact CD1-CZ2 3.75Å; L183-W190 HydrophobicContact CG-CZ2 4.41Å; P187-W190 PolarHBondContact O-NE1 3.18Å; P187-W190 VanDerWaalsContact O-NE1 3.13Å; W190-Y192 VanDerWaalsContact O-CD1 3.3Å; W190-Y192 WeakPolarHBondContact O-CD1 3.37Å
191	D	98.4	Very high	97.9	Very high	59 Å²	59	32.6 Å²	32.6	32%	0.316	17%	0.172	S	C	.	.			trans	-59.9	134.6	165	-75.3	-25.5	0	0	0	109.8	S189 K214 F261	S189-D191 PolarHBondContact OG-N 3.04Å; S189-D191 PolarHBondContact OG-OD2 3.22Å; D191-K214 HydrophobicContact CB-CB 4.12Å; D191-K214 HydrophobicContact CB-CD 4.23Å; D191-K214 WeakPolarHBondContact O-CB 3.46Å; D191-K214 PolarHBondContact O-N 3.1Å; D191-F261 HydrophobicContact CB-CB 4.31Å; D191-F261 HydrophobicContact CB-CD1 3.67Å; D191-F261 HydrophobicContact CB-CE1 4.3Å; D191-F261 HydrophobicContact CB-CG 4.15Å
192	Y	98.8	Very high	97.9	Very high	3 Å²	3	31 Å²	31	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155	-171.6	65.7	-91.3	0	0	0	113.7	L45 R46 L48 G83 W190 T194 I211 V212 A259 S260	L45-Y192 WeakPolarHBondContact CB-OH 3.4Å; L45-Y192 HydrophobicContact CD1-CE2 4.05Å; L45-Y192 HydrophobicContact CD2-CE2 4.31Å; R46-Y192 PolarHBondContact O-OH 3.49Å; L48-Y192 HydrophobicContact CD1-CD1 3.87Å; L48-Y192 HydrophobicContact CD1-CE1 4.29Å; L48-Y192 HydrophobicContact CD1-CG 4.47Å; L48-Y192 HydrophobicContact CD2-CD1 4.19Å; L48-Y192 HydrophobicContact CD2-CE1 3.85Å; L48-Y192 HydrophobicContact CG-CD1 3.84Å; L48-Y192 HydrophobicContact CG-CE1 3.74Å; G83-Y192 WeakPolarHBondContact CA-OH 3.25Å; W190-Y192 VanDerWaalsContact O-CD1 3.3Å; W190-Y192 WeakPolarHBondContact O-CD1 3.37Å; Y192-T194 HydrophobicContact CD2-CG2 4.32Å; Y192-T194 HydrophobicContact CE2-CG2 3.95Å; Y192-I211 HydrophobicContact CD1-CG2 4.38Å; Y192-I211 HydrophobicContact CD2-CG2 3.8Å; Y192-I211 HydrophobicContact CG-CG2 3.74Å; Y192-V212 CarbonylContact C-O 3.56Å; Y192-V212 VanDerWaalsContact CA-O 3.28Å; Y192-V212 WeakPolarHBondContact CA-O 3.35Å; Y192-A259 WeakPolarHBondContact O-CA 3.33Å; Y192-S260 PolarHBondContact N-OG 2.67Å; Y192-S260 PolarHBondContact O-N 2.92Å; Y192-S260 PolarHBondContact O-OG 2.92Å
193	W	98.9	Very high	97.9	Very high	13 Å²	13	33.9 Å²	33.9	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.5	158.9	-62.4	-73.6	0	0	0	110.5	I34 T36 V110 F148 I211 V212 K214 V257 R258 F261	I34-W193 HydrophobicContact CD1-CB 4.27Å; I34-W193 HydrophobicContact CD1-CD2 4.21Å; I34-W193 HydrophobicContact CD1-CE3 3.99Å; I34-W193 HydrophobicContact CD1-CG 4.36Å; I34-W193 HydrophobicContact CG2-CD2 3.96Å; I34-W193 HydrophobicContact CG2-CG 4.04Å; I34-W193 HydrophobicContact CG2-CZ2 4.43Å; T36-W193 HydrophobicContact CG2-CZ2 3.98Å; V110-W193 HydrophobicContact CG1-CH2 3.97Å; V110-W193 HydrophobicContact CG1-CZ2 4.33Å; V110-W193 HydrophobicContact CG2-CH2 4.22Å; V110-W193 HydrophobicContact CG2-CZ3 4.12Å; F148-W193 HydrophobicContact CE2-CZ3 4.44Å; W193-I211 CarbonylContact O-C 3.59Å; W193-I211 WeakPolarHBondContact O-CA 3.47Å; W193-V212 HydrophobicContact CE3-CG1 4.35Å; W193-V212 PolarHBondContact N-O 3.05Å; W193-V212 PolarHBondContact O-N 3.01Å; W193-K214 HydrophobicContact CH2-CB 4.21Å; W193-K214 HydrophobicContact CH2-CG 3.88Å; W193-K214 HydrophobicContact CZ2-CG 4.35Å; W193-K214 HydrophobicContact CZ3-CB 4.13Å; W193-K214 HydrophobicContact CZ3-CG 4.3Å; W193-V257 HydrophobicContact CB-CG1 3.87Å; W193-V257 HydrophobicContact CG-CG1 4.24Å; W193-R258 CarbonylContact C-O 3.56Å; W193-R258 WeakPolarHBondContact CA-O 3.32Å; W193-F261 HydrophobicContact CD2-CE1 4.35Å; W193-F261 HydrophobicContact CD2-CZ 4.24Å; W193-F261 AromaticContact CE2-CZ 3.49Å; W193-F261 VanDerWaalsContact CE2-CZ 3.49Å; W193-F261 HydrophobicContact CH2-CZ 4.41Å; W193-F261 HydrophobicContact CZ2-CE1 4.43Å; W193-F261 HydrophobicContact CZ2-CE2 4.48Å; W193-F261 AromaticContact CZ2-CZ 3.59Å; W193-F261 HydrophobicContact CZ2-CZ 3.59Å; W193-F261 AromaticContact NE1-CE1 3.97Å; W193-F261 AromaticContact NE1-CZ 3.47Å
194	T	98.9	Very high	97.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.7	174.3	-178.3	0	0	0	0	113	L45 P84 Y192 W210 R258	L45-T194 HydrophobicContact CD1-CG2 3.87Å; L45-T194 HydrophobicContact CD2-CG2 3.86Å; P84-T194 HydrophobicContact CB-CG2 4.09Å; P84-T194 HydrophobicContact CG-CG2 4.2Å; P84-T194 WeakPolarHBondContact CG-OG1 3.13Å; Y192-T194 HydrophobicContact CD2-CG2 4.32Å; Y192-T194 HydrophobicContact CE2-CG2 3.95Å; T194-W210 WeakPolarHBondContact CA-O 3.29Å; T194-W210 WeakPolarHBondContact CB-O 3.04Å; T194-W210 PolarHBondContact OG1-O 2.89Å; T194-R258 HydrophobicContact CG2-CB 4.07Å; T194-R258 PolarHBondContact N-O 2.73Å; T194-R258 PolarHBondContact O-N 3.08Å
195	Y	98.8	Very high	98	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	155.2	176.5	74.3	-79.9	0	0	0	110.5	S30 I32 H108 W210	S30-Y195 WeakPolarHBondContact CB-OH 3.46Å; S30-Y195 PolarHBondContact OG-OH 2.77Å; I32-Y195 HydrophobicContact CD1-CD1 3.81Å; I32-Y195 HydrophobicContact CD1-CD2 3.82Å; I32-Y195 HydrophobicContact CD1-CE1 3.78Å; I32-Y195 HydrophobicContact CD1-CE2 3.82Å; I32-Y195 HydrophobicContact CD1-CG 3.85Å; I32-Y195 HydrophobicContact CG1-CD1 4.4Å; I32-Y195 HydrophobicContact CG1-CE1 3.86Å; I32-Y195 HydrophobicContact CG1-CE2 4.02Å; I32-Y195 HydrophobicContact CG2-CE2 4.07Å; H108-Y195 AromaticContact NE2-CE1 3.49Å; H108-Y195 WeakPolarHBondContact NE2-CE1 3.5Å; H108-Y195 AromaticContact NE2-CZ 3.48Å; H108-Y195 PolarHBondContact NE2-OH 2.98Å; Y195-W210 HydrophobicContact CD1-CB 3.66Å; Y195-W210 HydrophobicContact CD1-CG 4.35Å; Y195-W210 HydrophobicContact CE1-CB 3.36Å; Y195-W210 AromaticContact CE1-CD1 3.99Å; Y195-W210 HydrophobicContact CE1-CD2 4.42Å; Y195-W210 AromaticContact CE1-CG 3.61Å; Y195-W210 HydrophobicContact CE1-CG 3.61Å; Y195-W210 AromaticContact CE2-CD1 3.93Å; Y195-W210 HydrophobicContact CE2-CG 4.37Å; Y195-W210 HydrophobicContact CG-CB 4.37Å; Y195-W210 AromaticContact CZ-CD1 3.51Å; Y195-W210 AromaticContact CZ-CG 3.61Å; Y195-W210 PolarHBondContact N-O 3.18Å; Y195-W210 WeakPolarHBondContact O-CB 3.09Å; Y195-W210 PolarHBondContact O-N 3.35Å
196	P	98.5	Very high	98	Very high	56 Å²	56	33 Å²	33	36%	0.364	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.6	170.5	32	-34.1	0	0	0	110.7	R255	P196-R255 VanDerWaalsContact O-CD 3.25Å; P196-R255 WeakPolarHBondContact O-CD 3.46Å; P196-R255 PolarHBondContact O-NH1 3.49Å
197	G	98.7	Very high	98	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-160.3	-172.9	0	0	0	0	0	113.8	Q28 S30 E206 S207 V208	Q28-G197 CarbonylContact O-C 3.43Å; Q28-G197 WeakPolarHBondContact O-CA 3.35Å; S30-G197 WeakPolarHBondContact OG-CA 3.17Å; G197-E206 CarbonylContact O-C 3.44Å; G197-E206 WeakPolarHBondContact O-CA 3.2Å; G197-S207 PolarHBondContact O-N 3.35Å; G197-V208 CarbonylContact C-O 3.2Å; G197-V208 PolarHBondContact N-O 3.49Å; G197-V208 PolarHBondContact O-N 2.98Å; G197-V208 VanDerWaalsContact O-N 3.09Å
198	S	98.9	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.			trans	-122.2	172	-178.6	76.3	0	0	0	0	112.5	Q28 Q29 S30 L204 L205 V208 W210	Q28-S198 PolarHBondContact O-N 3.39Å; Q28-S198 VanDerWaalsContact O-N 3.13Å; Q29-S198 WeakPolarHBondContact CA-OG 3.17Å; S30-S198 WeakPolarHBondContact CB-O 3.41Å; S30-S198 PolarHBondContact N-OG 2.78Å; S30-S198 PolarHBondContact OG-N 3.38Å; S198-L204 WeakPolarHBondContact CB-O 3.28Å; S198-L205 CarbonylContact C-O 3.55Å; S198-L205 WeakPolarHBondContact CA-O 3.42Å; S198-L205 VanDerWaalsContact CB-O 3.29Å; S198-L205 WeakPolarHBondContact CB-O 3.12Å; S198-V208 VanDerWaalsContact C-CG2 3.44Å; S198-W210 PolarHBondContact O-NE1 2.79Å
199	L	98.6	Very high	98.2	Very high	30 Å²	30	24.1 Å²	24.1	16%	0.157	13%	0.133	C	C	.	.			trans	-59.7	144.1	154.9	-64.1	173.6	0	0	0	109.4	L142 V201 L204 L205 V208	L142-L199 HydrophobicContact CD1-CD2 3.86Å; L142-L199 HydrophobicContact CD1-CG 4.3Å; L199-V201 VanDerWaalsContact C-N 3.34Å; L199-L204 WeakPolarHBondContact O-CD2 3.37Å; L199-L205 HydrophobicContact CD1-CB 4.46Å; L199-L205 PolarHBondContact N-O 3.45Å; L199-V208 HydrophobicContact CD2-CG2 3.92Å; L199-V208 HydrophobicContact CG-CG2 4.16Å
200	T	98.3	Very high	98.3	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	12%	0.12	C	C	.	.	S	Bend	trans	-91.9	-0.7	178	59.3	0	0	0	0	113.1	W17 P31 E107 W210 R247	W17-T200 WeakPolarHBondContact CZ3-O 3.45Å; P31-T200 HydrophobicContact CB-CG2 4.45Å; E107-T200 WeakPolarHBondContact OE1-CB 3.12Å; E107-T200 PolarHBondContact OE1-OG1 3.43Å; E107-T200 WeakPolarHBondContact OE2-CB 3.3Å; E107-T200 WeakPolarHBondContact OE2-CG2 3.32Å; E107-T200 PolarHBondContact OE2-OG1 3.13Å; T200-W210 HydrophobicContact CG2-CH2 4.38Å; T200-W210 HydrophobicContact CG2-CZ2 3.83Å; T200-R247 WeakPolarHBondContact O-CD 3.39Å
201	V	96.9	Very high	98.3	Very high	34 Å²	34	18.3 Å²	18.3	21%	0.206	11%	0.105	C	C	.	.	S	Bend	trans	-125.1	151.7	173.3	-61.3	0	0	0	0	110.6	W6 Y8 L199 L204	W6-V201 HydrophobicContact CH2-CB 3.56Å; W6-V201 HydrophobicContact CH2-CG1 3.75Å; W6-V201 HydrophobicContact CH2-CG2 4.43Å; W6-V201 HydrophobicContact CZ2-CB 4.07Å; W6-V201 HydrophobicContact CZ3-CB 4.14Å; W6-V201 HydrophobicContact CZ3-CG1 4.14Å; Y8-V201 WeakPolarHBondContact OH-CG1 3.48Å; L199-V201 VanDerWaalsContact C-N 3.34Å; V201-L204 WeakPolarHBondContact O-CD2 3.29Å; V201-L204 PolarHBondContact O-N 2.85Å
202	P	96.1	Very high	98.3	Very high	13 Å²	13	15.5 Å²	15.5	8%	0.084	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	133	172.1	-31.7	39.4	0	0	0	113.1	W6 W17 F21 L204	W6-P202 HydrophobicContact CB-CG 4.06Å; W6-P202 HydrophobicContact CD2-CB 4.08Å; W6-P202 HydrophobicContact CD2-CG 3.59Å; W6-P202 HydrophobicContact CE3-CG 4.01Å; W6-P202 HydrophobicContact CG-CB 3.97Å; W6-P202 HydrophobicContact CG-CG 3.61Å; W17-P202 HydrophobicContact CD2-CG 3.76Å; W17-P202 HydrophobicContact CE3-CG 4Å; W17-P202 HydrophobicContact CG-CG 4.08Å; W17-P202 HydrophobicContact CZ3-CG 4.46Å; F21-P202 HydrophobicContact CD1-CB 4.24Å; F21-P202 HydrophobicContact CD2-CB 3.8Å; F21-P202 HydrophobicContact CD2-CG 3.96Å; F21-P202 HydrophobicContact CE1-CB 3.99Å; F21-P202 HydrophobicContact CE2-CB 3.53Å; F21-P202 HydrophobicContact CE2-CG 3.9Å; F21-P202 HydrophobicContact CG-CB 4.16Å; F21-P202 HydrophobicContact CZ-CB 3.64Å; F21-P202 HydrophobicContact CZ-CG 4.49Å; P202-L204 HydrophobicContact CG-CG 4.38Å
203	P	96.2	Very high	98.4	Very high	60 Å²	60	15.4 Å²	15.4	39%	0.39	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.9	12.8	16.8	31.9	-32.8	0	0	0	117	F21 I23 L205	F21-P203 HydrophobicContact CD1-CB 4.16Å; F21-P203 HydrophobicContact CE1-CB 4.29Å; I23-P203 WeakPolarHBondContact CG2-O 3.22Å; P203-L205 HydrophobicContact CB-CG 4.3Å; P203-L205 HydrophobicContact CG-CD1 3.92Å; P203-L205 HydrophobicContact CG-CG 3.91Å; P203-L205 PolarHBondContact O-N 2.83Å
204	L	97.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.			trans	59.7	28.3	171.9	-53.7	168.9	0	0	0	114.9	W17 F21 I23 A24 Q29 S198 L199 V201 P202 E206	W17-L204 HydrophobicContact CB-CD1 4.25Å; W17-L204 HydrophobicContact CE3-CD1 3.92Å; W17-L204 HydrophobicContact CE3-CD2 3.89Å; W17-L204 HydrophobicContact CE3-CG 4.39Å; W17-L204 HydrophobicContact CZ3-CD2 3.9Å; F21-L204 HydrophobicContact CB-CD1 4.4Å; I23-L204 HydrophobicContact CG2-CB 4.01Å; A24-L204 HydrophobicContact CB-CD1 3.37Å; Q29-L204 PolarHBondContact NE2-O 3.17Å; S198-L204 WeakPolarHBondContact CB-O 3.28Å; L199-L204 WeakPolarHBondContact O-CD2 3.37Å; V201-L204 WeakPolarHBondContact O-CD2 3.29Å; V201-L204 PolarHBondContact O-N 2.85Å; P202-L204 HydrophobicContact CG-CG 4.38Å; L204-E206 PolarHBondContact O-N 2.98Å
205	L	98.2	Very high	98.3	Very high	36 Å²	36	22.3 Å²	22.3	19%	0.188	12%	0.121	C	C	.	.			trans	-61.4	134.7	-177.3	-61.8	171.3	0	0	0	111	A136 S198 L199 P203 S207	A136-L205 HydrophobicContact CB-CD1 4.22Å; A136-L205 WeakPolarHBondContact O-CB 3.44Å; A136-L205 WeakPolarHBondContact O-CD1 3.15Å; S198-L205 CarbonylContact C-O 3.55Å; S198-L205 WeakPolarHBondContact CA-O 3.42Å; S198-L205 VanDerWaalsContact CB-O 3.29Å; S198-L205 WeakPolarHBondContact CB-O 3.12Å; L199-L205 HydrophobicContact CD1-CB 4.46Å; L199-L205 PolarHBondContact N-O 3.45Å; P203-L205 HydrophobicContact CB-CG 4.3Å; P203-L205 HydrophobicContact CG-CD1 3.92Å; P203-L205 HydrophobicContact CG-CG 3.91Å; P203-L205 PolarHBondContact O-N 2.83Å; L205-S207 PolarHBondContact O-N 2.85Å
206	E	98.6	Very high	98.3	Very high	44 Å²	44	23.4 Å²	23.4	21%	0.206	13%	0.128	C	C	.	.	S	Bend	trans	-81.7	58.7	179.6	-59	-168.2	154.9	0	0	111.5	I23 G26 D27 Q28 Q29 G197 L204	I23-E206 HydrophobicContact CD1-CG 4.19Å; I23-E206 HydrophobicContact CG1-CG 4.14Å; G26-E206 VanDerWaalsContact CA-OE1 3.25Å; G26-E206 WeakPolarHBondContact CA-OE1 3.49Å; D27-E206 PolarHBondContact N-OE1 3.39Å; Q28-E206 WeakPolarHBondContact CA-OE1 3.42Å; Q28-E206 HydrophobicContact CB-CB 4.25Å; Q28-E206 HydrophobicContact CB-CG 4.2Å; Q28-E206 PolarHBondContact N-OE1 3.47Å; Q29-E206 PolarHBondContact N-OE1 2.9Å; Q29-E206 PolarHBondContact NE2-OE1 3.44Å; G197-E206 CarbonylContact O-C 3.44Å; G197-E206 WeakPolarHBondContact O-CA 3.2Å; L204-E206 PolarHBondContact O-N 2.98Å
207	S	98.5	Very high	98.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	11%	0.114	C	C	.	.			trans	-120.5	8.3	-172.1	49.7	0	0	0	0	114	A136 E138 L142 G197 L205	A136-S207 WeakPolarHBondContact O-CB 3.41Å; A136-S207 PolarHBondContact O-OG 3.41Å; E138-S207 VanDerWaalsContact O-CA 3.24Å; E138-S207 WeakPolarHBondContact O-CA 3.4Å; E138-S207 WeakPolarHBondContact O-CB 3.42Å; L142-S207 WeakPolarHBondContact CA-O 3.43Å; L142-S207 WeakPolarHBondContact CB-O 3.49Å; L142-S207 PolarHBondContact N-O 2.76Å; G197-S207 PolarHBondContact O-N 3.35Å; L205-S207 PolarHBondContact O-N 2.85Å
208	V	98.9	Very high	98.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.1	-168.6	-178.8	0	0	0	0	111.3	L142 V144 G197 S198 L199 W210	L142-V208 HydrophobicContact CB-CG2 4.07Å; L142-V208 HydrophobicContact CD1-CG2 4.13Å; V144-V208 HydrophobicContact CB-CG1 3.88Å; V144-V208 HydrophobicContact CG2-CG1 3.55Å; V144-V208 HydrophobicContact CG2-CG2 4.44Å; G197-V208 CarbonylContact C-O 3.2Å; G197-V208 PolarHBondContact N-O 3.49Å; G197-V208 PolarHBondContact O-N 2.98Å; G197-V208 VanDerWaalsContact O-N 3.09Å; S198-V208 VanDerWaalsContact C-CG2 3.44Å; L199-V208 HydrophobicContact CD2-CG2 3.92Å; L199-V208 HydrophobicContact CG-CG2 4.16Å; V208-W210 HydrophobicContact CG1-CD2 4.14Å; V208-W210 HydrophobicContact CG1-CG 3.99Å; V208-W210 HydrophobicContact CG1-CZ2 4.37Å; V208-W210 PolarHBondContact O-N 2.69Å
209	T	98.9	Very high	98.3	Very high	25 Å²	25	23.8 Å²	23.8	15%	0.153	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.8	158	-62.6	0	0	0	0	109.1	P84 L85 L142 A143 V144	P84-T209 HydrophobicContact CB-CG2 4.38Å; P84-T209 HydrophobicContact CG-CG2 3.85Å; L85-T209 HydrophobicContact CD2-CG2 3.79Å; L142-T209 PolarHBondContact O-N 3.42Å; A143-T209 WeakPolarHBondContact CA-O 3.35Å; V144-T209 PolarHBondContact N-O 3.09Å; V144-T209 VanDerWaalsContact N-O 3.13Å
210	W	98.9	Very high	98.3	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.1	178	-82.2	92.2	0	0	0	111.3	S30 H108 H120 V144 T194 Y195 S198 T200 V208 V212	S30-W210 PolarHBondContact OG-NE1 3.43Å; H108-W210 AromaticContact CE1-CD2 3.72Å; H108-W210 AromaticContact CE1-CE2 3.99Å; H108-W210 AromaticContact CE1-CE3 3.48Å; H108-W210 VanDerWaalsContact CE1-CE3 3.48Å; H108-W210 AromaticContact CE1-CH2 3.92Å; H108-W210 AromaticContact CE1-CZ3 3.58Å; H120-W210 AromaticContact CD2-CH2 3.77Å; H120-W210 AromaticContact CD2-CZ3 3.77Å; H120-W210 AromaticContact CE1-CH2 3.31Å; H120-W210 WeakPolarHBondContact CE1-CH2 3.15Å; H120-W210 AromaticContact CG-CH2 3.9Å; H120-W210 AromaticContact ND1-CH2 3.59Å; H120-W210 AromaticContact NE2-CH2 3.4Å; H120-W210 WeakPolarHBondContact NE2-CH2 3.2Å; H120-W210 AromaticContact NE2-CZ3 3.63Å; V144-W210 HydrophobicContact CB-CD2 4.46Å; V144-W210 HydrophobicContact CB-CE3 4.15Å; V144-W210 HydrophobicContact CB-CH2 4.08Å; V144-W210 HydrophobicContact CB-CZ2 4.43Å; V144-W210 HydrophobicContact CB-CZ3 3.97Å; V144-W210 HydrophobicContact CG1-CE3 4.1Å; V144-W210 HydrophobicContact CG1-CH2 3.57Å; V144-W210 HydrophobicContact CG1-CZ2 4.35Å; V144-W210 HydrophobicContact CG1-CZ3 3.45Å; V144-W210 VanDerWaalsContact CG1-CZ3 3.45Å; T194-W210 WeakPolarHBondContact CA-O 3.29Å; T194-W210 WeakPolarHBondContact CB-O 3.04Å; T194-W210 PolarHBondContact OG1-O 2.89Å; Y195-W210 HydrophobicContact CD1-CB 3.66Å; Y195-W210 HydrophobicContact CD1-CG 4.35Å; Y195-W210 HydrophobicContact CE1-CB 3.36Å; Y195-W210 AromaticContact CE1-CD1 3.99Å; Y195-W210 HydrophobicContact CE1-CD2 4.42Å; Y195-W210 AromaticContact CE1-CG 3.61Å; Y195-W210 HydrophobicContact CE1-CG 3.61Å; Y195-W210 AromaticContact CE2-CD1 3.93Å; Y195-W210 HydrophobicContact CE2-CG 4.37Å; Y195-W210 HydrophobicContact CG-CB 4.37Å; Y195-W210 AromaticContact CZ-CD1 3.51Å; Y195-W210 AromaticContact CZ-CG 3.61Å; Y195-W210 PolarHBondContact N-O 3.18Å; Y195-W210 WeakPolarHBondContact O-CB 3.09Å; Y195-W210 PolarHBondContact O-N 3.35Å; S198-W210 PolarHBondContact O-NE1 2.79Å; T200-W210 HydrophobicContact CG2-CH2 4.38Å; T200-W210 HydrophobicContact CG2-CZ2 3.83Å; V208-W210 HydrophobicContact CG1-CD2 4.14Å; V208-W210 HydrophobicContact CG1-CG 3.99Å; V208-W210 HydrophobicContact CG1-CZ2 4.37Å; V208-W210 PolarHBondContact O-N 2.69Å; W210-V212 HydrophobicContact CE3-CG2 4.03Å
211	I	98.9	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	92.8	172.1	-61.1	169.7	0	0	0	106.4	L48 L80 P84 L85 V144 L145 G146 Y192 W193 L213	L48-I211 HydrophobicContact CD1-CG2 3.81Å; L48-I211 HydrophobicContact CD2-CD1 4.06Å; L48-I211 HydrophobicContact CD2-CG2 4.06Å; L80-I211 HydrophobicContact CD2-CD1 4.22Å; P84-I211 HydrophobicContact CG-CD1 3.95Å; P84-I211 HydrophobicContact CG-CG1 3.88Å; L85-I211 HydrophobicContact CD1-CD1 4.14Å; L85-I211 HydrophobicContact CD2-CD1 4.24Å; L85-I211 HydrophobicContact CG-CD1 4.14Å; V144-I211 PolarHBondContact O-N 2.95Å; L145-I211 CarbonylContact C-O 3.19Å; L145-I211 VanDerWaalsContact CA-O 3.29Å; L145-I211 WeakPolarHBondContact CA-O 3.21Å; L145-I211 HydrophobicContact CD2-CB 3.86Å; L145-I211 HydrophobicContact CD2-CD1 4.28Å; L145-I211 HydrophobicContact CD2-CG2 3.62Å; G146-I211 PolarHBondContact N-O 3.01Å; Y192-I211 HydrophobicContact CD1-CG2 4.38Å; Y192-I211 HydrophobicContact CD2-CG2 3.8Å; Y192-I211 HydrophobicContact CG-CG2 3.74Å; W193-I211 CarbonylContact O-C 3.59Å; W193-I211 WeakPolarHBondContact O-CA 3.47Å; I211-L213 HydrophobicContact CG2-CD2 4.38Å
212	V	98.9	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.6	-176.3	-175.9	0	0	0	0	108.7	I34 F148 Y192 W193 W210	I34-V212 HydrophobicContact CD1-CB 4.22Å; I34-V212 HydrophobicContact CD1-CG1 4.14Å; I34-V212 HydrophobicContact CD1-CG2 4.38Å; F148-V212 HydrophobicContact CD2-CG1 4.41Å; F148-V212 HydrophobicContact CE2-CG1 3.57Å; F148-V212 HydrophobicContact CZ-CG1 3.74Å; Y192-V212 CarbonylContact C-O 3.56Å; Y192-V212 VanDerWaalsContact CA-O 3.28Å; Y192-V212 WeakPolarHBondContact CA-O 3.35Å; W193-V212 HydrophobicContact CE3-CG1 4.35Å; W193-V212 PolarHBondContact N-O 3.05Å; W193-V212 PolarHBondContact O-N 3.01Å; W210-V212 HydrophobicContact CE3-CG2 4.03Å
213	L	98.9	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.9	-178.7	-58	-170.9	0	0	0	110.6	L48 G146 V147 L186 P187 I211	L48-L213 HydrophobicContact CD1-CD2 3.96Å; G146-L213 PolarHBondContact O-N 3.01Å; V147-L213 HydrophobicContact CG2-CD1 3.9Å; V147-L213 HydrophobicContact CG2-CG 4.33Å; L186-L213 HydrophobicContact CD2-CD1 4.29Å; P187-L213 VanDerWaalsContact CD-CD1 3.48Å; P187-L213 HydrophobicContact CG-CB 4.19Å; P187-L213 HydrophobicContact CG-CD1 3.62Å; I211-L213 HydrophobicContact CG2-CD2 4.38Å
214	K	98.5	Very high	98.7	Very high	85 Å²	85	27.8 Å²	27.8	37%	0.37	14%	0.142	S	C	.	.	S	Bend	trans	-66.9	-43.5	-178	-178.3	-168.6	-175.3	171.2	0	112.1	D191 W193 F261	D191-K214 HydrophobicContact CB-CB 4.12Å; D191-K214 HydrophobicContact CB-CD 4.23Å; D191-K214 WeakPolarHBondContact O-CB 3.46Å; D191-K214 PolarHBondContact O-N 3.1Å; W193-K214 HydrophobicContact CH2-CB 4.21Å; W193-K214 HydrophobicContact CH2-CG 3.88Å; W193-K214 HydrophobicContact CZ2-CG 4.35Å; W193-K214 HydrophobicContact CZ3-CB 4.13Å; W193-K214 HydrophobicContact CZ3-CG 4.3Å; K214-F261 HydrophobicContact CB-CE1 4.01Å; K214-F261 HydrophobicContact CB-CZ 4.18Å; K214-F261 HydrophobicContact CD-CD1 4.27Å; K214-F261 HydrophobicContact CD-CD2 4.03Å; K214-F261 HydrophobicContact CD-CE1 3.88Å; K214-F261 HydrophobicContact CD-CE2 3.63Å; K214-F261 HydrophobicContact CD-CG 4.33Å; K214-F261 HydrophobicContact CD-CZ 3.53Å; K214-F261 HydrophobicContact CG-CE1 4.22Å; K214-F261 HydrophobicContact CG-CE2 4.42Å; K214-F261 HydrophobicContact CG-CZ 3.89Å
215	Q	98.6	Very high	98.7	Very high	75 Å²	75	30 Å²	30	35%	0.35	16%	0.161	S	C	.	.	S	Bend	trans	-84.8	123.1	-175.3	-176.1	176.8	10.2	0	0	109.9	P187 S189	P187-Q215 HydrophobicContact CB-CB 3.78Å; P187-Q215 HydrophobicContact CB-CG 3.8Å; P187-Q215 WeakPolarHBondContact CB-O 2.96Å; P187-Q215 HydrophobicContact CG-CB 4.23Å; P187-Q215 VanDerWaalsContact CG-O 3.31Å; P187-Q215 WeakPolarHBondContact CG-O 3.07Å; S189-Q215 VanDerWaalsContact CB-OE1 3.26Å
216	P	98.6	Very high	98.7	Very high	24 Å²	24	32.2 Å²	32.2	16%	0.156	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-73.6	160.4	172.6	31.9	-35.6	0	0	0	111.2	Y115 F148 Q150	Y115-P216 HydrophobicContact CD1-CB 4.25Å; Y115-P216 HydrophobicContact CE1-CB 3.93Å; Y115-P216 HydrophobicContact CE1-CG 4.01Å; F148-P216 HydrophobicContact CB-CB 3.91Å; F148-P216 CarbonylContact O-C 3.55Å; F148-P216 WeakPolarHBondContact O-CA 3.48Å; F148-P216 WeakPolarHBondContact O-CB 3.24Å; Q150-P216 HydrophobicContact CB-CB 4.4Å; Q150-P216 HydrophobicContact CG-CB 4.19Å; Q150-P216 HydrophobicContact CG-CG 4.21Å
217	I	98.8	Very high	98.7	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.077	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	157.6	162.8	66.1	170.2	0	0	0	110	V147 F148 L149 Q150 L158 P187	V147-I217 HydrophobicContact CG1-CG1 4.24Å; V147-I217 HydrophobicContact CG1-CG2 4.04Å; F148-I217 PolarHBondContact O-N 2.82Å; L149-I217 WeakPolarHBondContact CA-O 3.48Å; L149-I217 HydrophobicContact CD1-CD1 4.27Å; L149-I217 HydrophobicContact CD1-CG1 4.21Å; L149-I217 HydrophobicContact CG-CD1 4Å; L149-I217 HydrophobicContact CG-CG1 3.79Å; Q150-I217 PolarHBondContact N-O 3.18Å; L158-I217 HydrophobicContact CD1-CD1 4.43Å; P187-I217 HydrophobicContact CB-CG2 4.11Å
218	N	98.7	Very high	98.7	Very high	50 Å²	50	31.6 Å²	31.6	27%	0.267	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	147.8	175.2	-68.1	-19.8	0	0	0	111.2	Q150 N155	Q150-N218 WeakPolarHBondContact CG-OD1 3.19Å; Q150-N218 PolarHBondContact NE2-OD1 2.89Å; Q150-N218 WeakPolarHBondContact O-CA 3.38Å; N155-N218 VanDerWaalsContact CB-O 3.27Å; N155-N218 WeakPolarHBondContact CB-O 3.02Å; N155-N218 PolarHBondContact ND2-O 3.45Å
219	I	98.8	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141	164.3	-173.4	174.3	0	0	0	108.2	L149 Q150 I151 G152 L158 Q223 L224 F227	L149-I219 HydrophobicContact CB-CG2 3.94Å; L149-I219 HydrophobicContact CD2-CB 4.21Å; L149-I219 HydrophobicContact CD2-CD1 4.01Å; L149-I219 HydrophobicContact CD2-CG2 4.3Å; Q150-I219 PolarHBondContact O-N 3.35Å; I151-I219 WeakPolarHBondContact CA-O 3.33Å; I151-I219 HydrophobicContact CD1-CG2 4.43Å; G152-I219 PolarHBondContact N-O 3.28Å; L158-I219 HydrophobicContact CD1-CB 3.85Å; L158-I219 HydrophobicContact CD1-CD1 3.9Å; L158-I219 HydrophobicContact CD1-CG1 3.78Å; I219-Q223 HydrophobicContact CD1-CB 4.02Å; I219-Q223 HydrophobicContact CG1-CB 3.66Å; I219-L224 HydrophobicContact CD1-CB 3.9Å; I219-L224 HydrophobicContact CD1-CD1 4.26Å; I219-L224 HydrophobicContact CG1-CB 4.42Å; I219-F227 HydrophobicContact CD1-CD2 4.29Å; I219-F227 HydrophobicContact CD1-CE2 3.51Å; I219-F227 HydrophobicContact CD1-CZ 3.97Å
220	S	98.8	Very high	98.7	Very high	13 Å²	13	31.5 Å²	31.5	9%	0.091	16%	0.163	C	C	.	.			trans	-78.7	150.5	171.7	62.8	0	0	0	0	111.5	Q222 Q223 L224	S220-Q222 PolarHBondContact O-N 3.25Å; S220-Q222 VanDerWaalsContact O-N 3.12Å; S220-Q223 PolarHBondContact O-N 3.5Å; S220-Q223 VanDerWaalsContact OG-CG 3.24Å; S220-Q223 WeakPolarHBondContact OG-CG 3.49Å; S220-Q223 PolarHBondContact OG-N 2.86Å; S220-Q223 PolarHBondContact OG-OE1 3.22Å; S220-L224 PolarHBondContact O-N 3.44Å
221	S	98.8	Very high	98.7	Very high	51 Å²	51	32 Å²	32	36%	0.357	17%	0.166	S	C	.	.	H	α-helix	trans	-52.7	-35	174	-61.5	0	0	0	0	113	D102 L224 A225	D102-S221 WeakPolarHBondContact OD2-CB 3.44Å; D102-S221 PolarHBondContact OD2-OG 3.34Å; S221-L224 PolarHBondContact O-N 2.79Å; S221-A225 WeakPolarHBondContact O-CB 3.3Å; S221-A225 PolarHBondContact O-N 2.95Å
222	Q	98.7	Very high	98.6	Very high	158 Å²	158	34 Å²	34	74%	0.738	18%	0.18	S	C	*	.	H	α-helix	trans	-66	-43.1	177.4	-67.2	162.3	4	0	0	111.8	S220 A225 R226	S220-Q222 PolarHBondContact O-N 3.25Å; S220-Q222 VanDerWaalsContact O-N 3.12Å; Q222-A225 PolarHBondContact O-N 2.96Å; Q222-R226 WeakPolarHBondContact O-CG 3.27Å; Q222-R226 PolarHBondContact O-N 3.31Å
223	Q	98.8	Very high	98.5	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-42.4	176.1	-72.8	172.9	-53.1	0	0	111.4	H154 N155 Q159 T162 I219 S220 A225 R226	H154-Q223 PolarHBondContact CE1-NE2 3.2Å; H154-Q223 VanDerWaalsContact CE1-NE2 3.34Å; N155-Q223 PolarHBondContact O-NE2 3.3Å; Q159-Q223 VanDerWaalsContact OE1-NE2 3.16Å; T162-Q223 HydrophobicContact CG2-CB 4.29Å; I219-Q223 HydrophobicContact CD1-CB 4.02Å; I219-Q223 HydrophobicContact CG1-CB 3.66Å; S220-Q223 PolarHBondContact O-N 3.5Å; S220-Q223 VanDerWaalsContact OG-CG 3.24Å; S220-Q223 WeakPolarHBondContact OG-CG 3.49Å; S220-Q223 PolarHBondContact OG-N 2.86Å; S220-Q223 PolarHBondContact OG-OE1 3.22Å; Q223-A225 VanDerWaalsContact C-N 3.32Å; Q223-A225 PolarHBondContact O-N 3.43Å; Q223-R226 VanDerWaalsContact O-CB 3.31Å; Q223-R226 WeakPolarHBondContact O-CB 3.47Å; Q223-R226 PolarHBondContact O-N 3.44Å; Q223-R226 VanDerWaalsContact O-N 3.07Å
224	L	98.8	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-37.7	177.4	-173.5	54.9	0	0	0	112.1	W98 A116 A117 I151 I219 S220 S221 R226 F227 R228	W98-L224 HydrophobicContact CB-CD1 3.99Å; A116-L224 HydrophobicContact CB-CD2 3.64Å; A117-L224 HydrophobicContact CB-CD1 4.14Å; I151-L224 HydrophobicContact CD1-CD2 3.8Å; I219-L224 HydrophobicContact CD1-CB 3.9Å; I219-L224 HydrophobicContact CD1-CD1 4.26Å; I219-L224 HydrophobicContact CG1-CB 4.42Å; S220-L224 PolarHBondContact O-N 3.44Å; S221-L224 PolarHBondContact O-N 2.79Å; L224-R226 PolarHBondContact O-N 2.97Å; L224-F227 HydrophobicContact CD1-CD2 3.69Å; L224-F227 HydrophobicContact CD1-CE2 4.32Å; L224-F227 WeakPolarHBondContact O-CB 3.4Å; L224-F227 PolarHBondContact O-N 2.76Å; L224-F227 VanDerWaalsContact O-N 3.09Å; L224-R228 PolarHBondContact O-N 2.92Å
225	A	98.7	Very high	98.2	Very high	48 Å²	48	38.8 Å²	38.8	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-28	173.6	0	0	0	0	0	113	S221 Q222 Q223 R228 S229	S221-A225 WeakPolarHBondContact O-CB 3.3Å; S221-A225 PolarHBondContact O-N 2.95Å; Q222-A225 PolarHBondContact O-N 2.96Å; Q223-A225 VanDerWaalsContact C-N 3.32Å; Q223-A225 PolarHBondContact O-N 3.43Å; A225-R228 PolarHBondContact O-N 2.59Å; A225-S229 PolarHBondContact O-N 3.38Å
226	R	98.7	Very high	98.1	Very high	81 Å²	81	39.3 Å²	39.3	31%	0.306	24%	0.236	S	C	.	.	H	α-helix	trans	-67.6	-35.8	174.8	-60.2	-67.4	-70.2	164.8	-3.7	111.9	T162 L165 D166 Q222 Q223 L224 R228 S229	T162-R226 HydrophobicContact CG2-CB 3.91Å; T162-R226 HydrophobicContact CG2-CG 4.36Å; L165-R226 HydrophobicContact CD1-CB 4.15Å; D166-R226 IonicContact OD1-CZ 3.63Å; D166-R226 IonicContact OD1-NH1 3.31Å; D166-R226 PolarHBondContact OD1-NH1 2.71Å; D166-R226 IonicContact OD1-NH2 3.71Å; D166-R226 PolarHBondContact OD1-NH2 2.82Å; D166-R226 IonicContact OD2-CZ 2.81Å; D166-R226 IonicContact OD2-NH1 2.76Å; D166-R226 IonicContact OD2-NH2 2.88Å; D166-R226 PolarHBondContact OD2-NH2 2.77Å; Q222-R226 WeakPolarHBondContact O-CG 3.27Å; Q222-R226 PolarHBondContact O-N 3.31Å; Q223-R226 VanDerWaalsContact O-CB 3.31Å; Q223-R226 WeakPolarHBondContact O-CB 3.47Å; Q223-R226 PolarHBondContact O-N 3.44Å; Q223-R226 VanDerWaalsContact O-N 3.07Å; L224-R226 PolarHBondContact O-N 2.97Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 2.97Å; R226-S229 WeakPolarHBondContact O-CB 3.48Å; R226-S229 PolarHBondContact O-N 2.96Å; R226-S229 VanDerWaalsContact O-N 3.14Å; R226-S229 PolarHBondContact O-OG 2.86Å
227	F	98.6	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-43.4	174.4	-57.5	-20	0	0	0	111.2	F67 L96 W98 T162 L165 I219 L224 S229 L230	F67-F227 AromaticContact CE1-CD1 3.82Å; F67-F227 HydrophobicContact CE1-CD1 3.82Å; F67-F227 AromaticContact CE1-CE1 3.82Å; F67-F227 HydrophobicContact CE1-CE1 3.82Å; F67-F227 HydrophobicContact CE1-CG 4.32Å; F67-F227 HydrophobicContact CE1-CZ 4.33Å; F67-F227 HydrophobicContact CZ-CE1 4.11Å; F67-F227 HydrophobicContact CZ-CZ 4.39Å; L96-F227 HydrophobicContact CD2-CD2 4.35Å; L96-F227 HydrophobicContact CD2-CE2 3.53Å; L96-F227 HydrophobicContact CD2-CZ 3.89Å; W98-F227 HydrophobicContact CD2-CB 3.82Å; W98-F227 HydrophobicContact CE3-CB 4.05Å; W98-F227 HydrophobicContact CE3-CD2 4.34Å; W98-F227 HydrophobicContact CE3-CG 4.44Å; W98-F227 HydrophobicContact CG-CB 4.28Å; W98-F227 HydrophobicContact CH2-CB 4.35Å; W98-F227 HydrophobicContact CZ2-CB 4.13Å; W98-F227 WeakPolarHBondContact CZ2-O 3.5Å; W98-F227 HydrophobicContact CZ3-CB 4.31Å; T162-F227 HydrophobicContact CG2-CD1 4.24Å; T162-F227 HydrophobicContact CG2-CE1 3.61Å; T162-F227 HydrophobicContact CG2-CZ 4.33Å; L165-F227 HydrophobicContact CD1-CD1 3.63Å; L165-F227 HydrophobicContact CD1-CE1 4.08Å; I219-F227 HydrophobicContact CD1-CD2 4.29Å; I219-F227 HydrophobicContact CD1-CE2 3.51Å; I219-F227 HydrophobicContact CD1-CZ 3.97Å; L224-F227 HydrophobicContact CD1-CD2 3.69Å; L224-F227 HydrophobicContact CD1-CE2 4.32Å; L224-F227 WeakPolarHBondContact O-CB 3.4Å; L224-F227 PolarHBondContact O-N 2.76Å; L224-F227 VanDerWaalsContact O-N 3.09Å; F227-S229 PolarHBondContact O-N 2.87Å; F227-S229 VanDerWaalsContact O-N 3.11Å; F227-L230 WeakPolarHBondContact O-CB 3.11Å; F227-L230 PolarHBondContact O-N 3.17Å
228	R	98.6	Very high	97.9	Very high	32 Å²	32	49.3 Å²	49.3	12%	0.121	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.8	176.7	-58.2	178	-170.2	126.7	1.6	114.2	G99 S100 A101 D102 L224 A225 R226 L243	G99-R228 PolarHBondContact O-NE 3.09Å; G99-R228 PolarHBondContact O-NH2 3.33Å; S100-R228 PolarHBondContact O-NE 3.45Å; A101-R228 PolarHBondContact O-NH2 2.83Å; D102-R228 IonicContact OD1-CZ 2.95Å; D102-R228 VanDerWaalsContact OD1-CZ 3.31Å; D102-R228 IonicContact OD1-NH1 3.89Å; D102-R228 PolarHBondContact OD1-NH1 2.63Å; D102-R228 IonicContact OD1-NH2 3.77Å; D102-R228 PolarHBondContact OD1-NH2 2.94Å; L224-R228 PolarHBondContact O-N 2.92Å; A225-R228 PolarHBondContact O-N 2.59Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 2.97Å; R228-L243 HydrophobicContact CB-CD2 4.35Å
229	S	98.2	Very high	97.8	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.7	177.8	79.9	0	0	0	0	114	K169 A225 R226 F227	K169-S229 WeakPolarHBondContact CE-O 3.47Å; A225-S229 PolarHBondContact O-N 3.38Å; R226-S229 WeakPolarHBondContact O-CB 3.48Å; R226-S229 PolarHBondContact O-N 2.96Å; R226-S229 VanDerWaalsContact O-N 3.14Å; R226-S229 PolarHBondContact O-OG 2.86Å; F227-S229 PolarHBondContact O-N 2.87Å; F227-S229 VanDerWaalsContact O-N 3.11Å
230	L	98.6	Very high	97.7	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-67.3	150.3	171.2	-67.3	175.4	0	0	0	110.7	F67 W98 L165 F227 F241 L242	F67-L230 HydrophobicContact CB-CD1 4.09Å; F67-L230 HydrophobicContact CD1-CD1 3.95Å; W98-L230 HydrophobicContact CH2-CD1 4.11Å; W98-L230 HydrophobicContact CZ2-CD1 4.44Å; L165-L230 HydrophobicContact CB-CD2 4.09Å; L165-L230 HydrophobicContact CD2-CD1 4.28Å; L165-L230 HydrophobicContact CD2-CD2 4.33Å; F227-L230 WeakPolarHBondContact O-CB 3.11Å; F227-L230 PolarHBondContact O-N 3.17Å; L230-F241 WeakPolarHBondContact O-CA 3.45Å; L230-L242 PolarHBondContact O-N 2.63Å
231	L	98.4	Very high	97.6	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-100.4	144.2	174.7	-54.3	-177.5	0	0	0	111	N62 K169 E170 T233 A239 A240 F241	N62-L231 PolarHBondContact ND2-O 2.86Å; K169-L231 HydrophobicContact CG-CG 4.23Å; K169-L231 PolarHBondContact O-N 3Å; E170-L231 HydrophobicContact CG-CD1 4.27Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-A239 HydrophobicContact CD1-CB 3.99Å; L231-A239 HydrophobicContact CD2-CB 4.4Å; L231-A240 CarbonylContact C-O 3.51Å; L231-A240 WeakPolarHBondContact CA-O 3.39Å; L231-A240 WeakPolarHBondContact CB-O 3.35Å; L231-F241 HydrophobicContact CD2-CD1 3.46Å; L231-F241 VanDerWaalsContact CD2-CD1 3.46Å; L231-F241 HydrophobicContact CD2-CD2 4.42Å; L231-F241 HydrophobicContact CD2-CE1 3.62Å; L231-F241 HydrophobicContact CD2-CG 3.89Å; L231-F241 HydrophobicContact CD2-CZ 4.18Å
232	C	96.9	Very high	97.6	Very high	43 Å²	43	54.4 Å²	54.4	29%	0.291	32%	0.321	S	S	.	.	S	Bend	trans	-89.7	-1.6	169.9	64.7	0	0	0	0	113	G64 K171 A240 L242	G64-C232 VanDerWaalsContact O-CB 3.23Å; G64-C232 WeakPolarHBondContact O-CB 3.08Å; K171-C232 VanDerWaalsContact CD-O 3.29Å; K171-C232 WeakPolarHBondContact CD-O 3.5Å; C232-A240 PolarHBondContact N-O 3.27Å; C232-A240 PolarHBondContact SG-O 2.86Å; C232-A240 VanDerWaalsContact SG-O 3.38Å; C232-L242 HydrophobicContact CB-CB 4.24Å; C232-L242 HydrophobicContact CB-CD1 4.08Å
233	T	96.6	Very high	97.5	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.135	31%	0.309	C	S	.	.	S	Bend	trans	-109.4	151.6	179.5	52.6	0	0	0	0	111.1	K171 L231 E237 T238 A240	K171-T233 WeakPolarHBondContact CB-O 3.26Å; K171-T233 PolarHBondContact N-O 2.89Å; L231-T233 VanDerWaalsContact C-N 3.33Å; T233-E237 WeakPolarHBondContact CA-OE2 3.3Å; T233-E237 WeakPolarHBondContact CB-OE2 3.42Å; T233-T238 WeakPolarHBondContact CG2-O 3.31Å; T233-T238 PolarHBondContact OG1-O 2.98Å; T233-A240 HydrophobicContact CG2-CB 3.77Å; T233-A240 PolarHBondContact OG1-N 3.47Å; T233-A240 VanDerWaalsContact OG1-N 3.1Å
234	A	97.3	Very high	97.5	Very high	31 Å²	31	52.9 Å²	52.9	26%	0.256	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-78.8	167.5	-179.6	0	0	0	0	0	111.9	G236 E237	A234-G236 PolarHBondContact O-N 2.91Å; A234-E237 HydrophobicContact CB-CG 4.3Å; A234-E237 PolarHBondContact N-OE2 2.81Å; A234-E237 WeakPolarHBondContact O-CB 3.44Å; A234-E237 PolarHBondContact O-N 2.79Å; A234-E237 VanDerWaalsContact O-N 3.14Å
235	E	95.4	Very high	97.4	Very high	132 Å²	132	52.9 Å²	52.9	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	132.7	172.9	-174.8	176	-162.8	0	0	110.8	E170 K173 E237	E170-E235 HydrophobicContact CB-CB 4.45Å; E170-E235 HydrophobicContact CG-CB 4.23Å; K173-E235 VanDerWaalsContact CE-OE2 3.26Å; K173-E235 WeakPolarHBondContact CE-OE2 3.35Å; K173-E235 IonicContact NZ-OE2 3.82Å; K173-E235 PolarHBondContact NZ-OE2 3.06Å; E235-E237 VanDerWaalsContact C-N 3.31Å
236	G	95.7	Very high	97.4	Very high	86 Å²	86	52.4 Å²	52.4	89%	0.887	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-7.9	-176.3	0	0	0	0	0	115	A234	A234-G236 PolarHBondContact O-N 2.91Å
237	E	95.8	Very high	97.4	Very high	117 Å²	117	48.7 Å²	48.7	55%	0.547	30%	0.296	S	S	.	.	S	Bend	trans	-86.2	165.2	169.7	-63.4	179.6	166.9	0	0	111.2	T233 A234 E235 A239	T233-E237 WeakPolarHBondContact CA-OE2 3.3Å; T233-E237 WeakPolarHBondContact CB-OE2 3.42Å; A234-E237 HydrophobicContact CB-CG 4.3Å; A234-E237 PolarHBondContact N-OE2 2.81Å; A234-E237 WeakPolarHBondContact O-CB 3.44Å; A234-E237 PolarHBondContact O-N 2.79Å; A234-E237 VanDerWaalsContact O-N 3.14Å; E235-E237 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 2.93Å
238	T	96.2	Very high	97.4	Very high	131 Å²	131	51.8 Å²	51.8	80%	0.804	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.6	119.4	172.3	-62	0	0	0	0	109	T233 A240	T233-T238 WeakPolarHBondContact CG2-O 3.31Å; T233-T238 PolarHBondContact OG1-O 2.98Å; T238-A240 PolarHBondContact O-N 2.71Å
239	A	96.8	Very high	97.4	Very high	67 Å²	67	52.3 Å²	52.3	55%	0.554	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-59.6	122	-174.3	0	0	0	0	0	111.9	L231 E237	L231-A239 HydrophobicContact CD1-CB 3.99Å; L231-A239 HydrophobicContact CD2-CB 4.4Å; E237-A239 PolarHBondContact O-N 2.93Å
240	A	96.8	Very high	97.4	Very high	39 Å²	39	52.8 Å²	52.8	32%	0.322	32%	0.323	S	S	.	.			trans	-127.3	126.1	170.5	0	0	0	0	0	110.2	L231 C232 T233 T238	L231-A240 CarbonylContact C-O 3.51Å; L231-A240 WeakPolarHBondContact CA-O 3.39Å; L231-A240 WeakPolarHBondContact CB-O 3.35Å; C232-A240 PolarHBondContact N-O 3.27Å; C232-A240 PolarHBondContact SG-O 2.86Å; C232-A240 VanDerWaalsContact SG-O 3.38Å; T233-A240 HydrophobicContact CG2-CB 3.77Å; T233-A240 PolarHBondContact OG1-N 3.47Å; T233-A240 VanDerWaalsContact OG1-N 3.1Å; T238-A240 PolarHBondContact O-N 2.71Å
241	F	97.6	Very high	97.4	Very high	109 Å²	109	56.8 Å²	56.8	48%	0.478	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-75.3	140.4	-180	-69.2	-79.2	0	0	0	111.5	L230 L231 L243	L230-F241 WeakPolarHBondContact O-CA 3.45Å; L231-F241 HydrophobicContact CD2-CD1 3.46Å; L231-F241 VanDerWaalsContact CD2-CD1 3.46Å; L231-F241 HydrophobicContact CD2-CD2 4.42Å; L231-F241 HydrophobicContact CD2-CE1 3.62Å; L231-F241 HydrophobicContact CD2-CG 3.89Å; L231-F241 HydrophobicContact CD2-CZ 4.18Å; F241-L243 HydrophobicContact CB-CD2 3.71Å; F241-L243 HydrophobicContact CB-CG 3.95Å; F241-L243 PolarHBondContact O-N 2.78Å
242	L	97.6	Very high	97.3	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	36%	0.359	C	S	.	.			trans	-80	75.1	171	-173.4	61.3	0	0	0	109.1	W98 L230 C232 N245	W98-L242 HydrophobicContact CH2-CD2 3.84Å; W98-L242 HydrophobicContact CZ2-CB 4.32Å; W98-L242 HydrophobicContact CZ2-CD2 3.56Å; W98-L242 HydrophobicContact CZ2-CG 3.78Å; W98-L242 PolarHBondContact NE1-O 3.25Å; L230-L242 PolarHBondContact O-N 2.63Å; C232-L242 HydrophobicContact CB-CB 4.24Å; C232-L242 HydrophobicContact CB-CD1 4.08Å; L242-N245 HydrophobicContact CD1-CB 3.93Å; L242-N245 HydrophobicContact CD2-CB 4.48Å; L242-N245 HydrophobicContact CG-CB 4.27Å
243	L	97.8	Very high	97.3	Very high	92 Å²	92	61.4 Å²	61.4	48%	0.482	37%	0.366	S	S	.	.			trans	-75	-28.3	-176	-62	-179.1	0	0	0	113.1	G99 S100 R228 F241	G99-L243 CarbonylContact C-O 3.52Å; S100-L243 VanDerWaalsContact CA-O 3.24Å; S100-L243 WeakPolarHBondContact CA-O 3.25Å; S100-L243 PolarHBondContact N-O 2.69Å; R228-L243 HydrophobicContact CB-CD2 4.35Å; F241-L243 HydrophobicContact CB-CD2 3.71Å; F241-L243 HydrophobicContact CB-CG 3.95Å; F241-L243 PolarHBondContact O-N 2.78Å
244	S	97.8	Very high	97.2	Very high	36 Å²	36	64 Å²	64	25%	0.252	40%	0.396	S	S	.	.			trans	-151.6	140.7	178.6	-64.5	0	0	0	0	109.6	W98 S100	W98-S244 WeakPolarHBondContact O-CA 3.12Å; S100-S244 WeakPolarHBondContact CB-OG 3.47Å; S100-S244 PolarHBondContact N-OG 3.08Å
245	N	98.4	Very high	97.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	39%	0.388	C	S	.	.			trans	-147.2	37.4	-176.9	66.5	-29.8	0	0	0	112.4	Y8 H65 L96 H97 W98 L242	Y8-N245 HydrophobicContact CD2-CB 3.87Å; Y8-N245 VanDerWaalsContact CE1-C 3.41Å; Y8-N245 HydrophobicContact CE2-CB 3.58Å; Y8-N245 VanDerWaalsContact CZ-C 3.41Å; Y8-N245 PolarHBondContact OH-O 2.58Å; Y8-N245 VanDerWaalsContact OH-O 3.08Å; H65-N245 VanDerWaalsContact O-CB 3.26Å; H65-N245 WeakPolarHBondContact O-CB 3.43Å; H65-N245 PolarHBondContact O-ND2 3.05Å; L96-N245 PolarHBondContact O-ND2 3.1Å; H97-N245 WeakPolarHBondContact CA-OD1 3.5Å; H97-N245 PolarHBondContact ND1-O 2.92Å; W98-N245 VanDerWaalsContact CD2-OD1 3.28Å; W98-N245 WeakPolarHBondContact CZ3-ND2 3.45Å; W98-N245 PolarHBondContact N-OD1 3.27Å; W98-N245 PolarHBondContact O-N 2.98Å; W98-N245 VanDerWaalsContact O-N 3.14Å; W98-N245 PolarHBondContact O-OD1 2.73Å; L242-N245 HydrophobicContact CD1-CB 3.93Å; L242-N245 HydrophobicContact CD2-CB 4.48Å; L242-N245 HydrophobicContact CG-CB 4.27Å
246	H	98.1	Very high	97.2	Very high	38 Å²	38	66.8 Å²	66.8	18%	0.176	39%	0.394	C	S	.	.			trans	-114.9	139.9	-178.6	60	-87.3	0	0	0	111.1	H97 W98 G105 E107	H97-H246 HydrophobicContact CB-CB 4.22Å; W98-H246 PolarHBondContact O-ND1 2.84Å; G105-H246 WeakPolarHBondContact O-CB 3.4Å; E107-H246 HydrophobicContact CG-CB 3.65Å
247	R	98.5	Very high	97.4	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.015	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-83.5	140.3	173.2	-164.6	-169.1	-172.6	-171.7	2.5	110.2	P14 W17 A24 S30 P31 E107 T200	P14-R247 HydrophobicContact CB-CG 4.09Å; P14-R247 HydrophobicContact CG-CG 4.27Å; W17-R247 HydrophobicContact CH2-CB 4.45Å; W17-R247 HydrophobicContact CH2-CG 4.37Å; W17-R247 HydrophobicContact CZ3-CB 4.27Å; W17-R247 HydrophobicContact CZ3-CG 3.8Å; A24-R247 PolarHBondContact O-NH2 3.01Å; A24-R247 VanDerWaalsContact O-NH2 3.09Å; S30-R247 WeakPolarHBondContact O-CD 3.16Å; S30-R247 PolarHBondContact O-NH1 3.48Å; P31-R247 WeakPolarHBondContact CG-O 3.28Å; E107-R247 VanDerWaalsContact OE1-CB 3.25Å; E107-R247 WeakPolarHBondContact OE1-CB 3.26Å; E107-R247 PolarHBondContact OE1-N 3Å; T200-R247 WeakPolarHBondContact O-CD 3.39Å
248	P	98.1	Very high	97.5	Very high	65 Å²	65	61.9 Å²	61.9	42%	0.422	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-62.1	154.8	171.7	-24	34.3	0	0	0	113.1	Q250	P248-Q250 PolarHBondContact O-NE2 3.23Å
249	P	98.6	Very high	97.6	Very high	42 Å²	42	55.7 Å²	55.7	27%	0.273	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-54	137.3	170.6	-27.6	36.6	0	0	0	113	V109	V109-P249 HydrophobicContact CB-CG 4.48Å; V109-P249 HydrophobicContact CG2-CG 3.59Å
250	Q	98.7	Very high	97.7	Very high	36 Å²	36	53.8 Å²	53.8	17%	0.168	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-102.3	157.3	179.9	-56.2	-59.9	-58.4	0	0	110.6	Q29 P31 P248 L252	Q29-Q250 HydrophobicContact CB-CB 3.88Å; Q29-Q250 HydrophobicContact CB-CG 3.92Å; P31-Q250 WeakPolarHBondContact O-CB 3.49Å; P31-Q250 PolarHBondContact O-N 2.87Å; P248-Q250 PolarHBondContact O-NE2 3.23Å; Q250-L252 PolarHBondContact O-N 2.83Å
251	P	98.2	Very high	97.7	Very high	84 Å²	84	53.1 Å²	53.1	55%	0.545	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.2	179.2	-27	37.2	0	0	0	113.4	K253 R255	P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 HydrophobicContact CB-CG 4Å; P251-K253 PolarHBondContact O-N 3.47Å; P251-R255 PolarHBondContact O-NH2 3.07Å
252	L	97.1	Very high	97.3	Very high	52 Å²	52	59.3 Å²	59.3	27%	0.272	30%	0.302	S	S	.	.			trans	-66.6	-28.7	-179.5	-173	63.3	0	0	0	113.3	I32 Q250 G254 R255 V257	I32-L252 HydrophobicContact CD1-CD1 3.65Å; I32-L252 HydrophobicContact CG2-CD1 4.36Å; Q250-L252 PolarHBondContact O-N 2.83Å; L252-G254 VanDerWaalsContact C-N 3.31Å; L252-G254 PolarHBondContact O-N 2.9Å; L252-R255 HydrophobicContact CD1-CB 3.92Å; L252-R255 WeakPolarHBondContact CD2-O 2.99Å; L252-R255 HydrophobicContact CG-CB 4.31Å; L252-R255 WeakPolarHBondContact CG-O 3.29Å; L252-R255 WeakPolarHBondContact O-CB 3.2Å; L252-R255 WeakPolarHBondContact O-CG 3.38Å; L252-R255 PolarHBondContact O-N 2.9Å; L252-R255 VanDerWaalsContact O-N 3.11Å; L252-R255 PolarHBondContact O-NE 2.73Å; L252-V257 HydrophobicContact CD1-CG2 4.21Å
253	K	96.5	Very high	97.3	Very high	100 Å²	100	62 Å²	62	44%	0.435	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	45.4	175.6	-70.8	179.4	168.8	-172	0	114.7	D25 G26 D27 P251 R255	D25-K253 PolarHBondContact O-NZ 3.28Å; G26-K253 PolarHBondContact O-NZ 3.29Å; D27-K253 HydrophobicContact CB-CD 4.19Å; D27-K253 WeakPolarHBondContact OD1-CD 2.79Å; D27-K253 IonicContact OD1-NZ 3.64Å; D27-K253 PolarHBondContact OD1-NZ 2.76Å; P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 HydrophobicContact CB-CG 4Å; P251-K253 PolarHBondContact O-N 3.47Å; K253-R255 PolarHBondContact O-N 3.18Å
254	G	94.6	Very high	97.2	Very high	75 Å²	75	60.4 Å²	60.4	77%	0.773	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-1.8	175	0	0	0	0	0	115.4	L252	L252-G254 VanDerWaalsContact C-N 3.31Å; L252-G254 PolarHBondContact O-N 2.9Å
255	R	97.3	Very high	97.2	Very high	23 Å²	23	61.7 Å²	61.7	9%	0.087	31%	0.31	C	S	.	.			trans	-59.6	151	168.3	-67.3	174.8	-75.2	171.6	-4.4	110.3	Q28 Q29 P196 P251 L252 K253	Q28-R255 PolarHBondContact O-NH1 3.23Å; Q28-R255 VanDerWaalsContact O-NH1 3.14Å; Q29-R255 PolarHBondContact O-NH1 3.34Å; Q29-R255 PolarHBondContact O-NH2 3.49Å; P196-R255 VanDerWaalsContact O-CD 3.25Å; P196-R255 WeakPolarHBondContact O-CD 3.46Å; P196-R255 PolarHBondContact O-NH1 3.49Å; P251-R255 PolarHBondContact O-NH2 3.07Å; L252-R255 HydrophobicContact CD1-CB 3.92Å; L252-R255 WeakPolarHBondContact CD2-O 2.99Å; L252-R255 HydrophobicContact CG-CB 4.31Å; L252-R255 WeakPolarHBondContact CG-O 3.29Å; L252-R255 WeakPolarHBondContact O-CB 3.2Å; L252-R255 WeakPolarHBondContact O-CG 3.38Å; L252-R255 PolarHBondContact O-N 2.9Å; L252-R255 VanDerWaalsContact O-N 3.11Å; L252-R255 PolarHBondContact O-NE 2.73Å; K253-R255 PolarHBondContact O-N 3.18Å
256	R	96.4	Very high	97.1	Very high	200 Å²	200	65.4 Å²	65.4	76%	0.755	33%	0.328	S	S	*	.			trans	-109.2	128.8	177.9	-65.6	-177.5	178.7	-178.4	1.3	110
257	V	98.5	Very high	97.1	Very high	16 Å²	16	67.1 Å²	67.1	10%	0.097	34%	0.338	C	S	.	.			trans	-89.8	130	168.4	-174.1	0	0	0	0	108.5	I32 I34 V39 W193 L252	I32-V257 HydrophobicContact CD1-CG2 3.51Å; I34-V257 HydrophobicContact CG2-CG1 4.32Å; V39-V257 HydrophobicContact CG2-CB 4.01Å; V39-V257 HydrophobicContact CG2-CG1 3.88Å; W193-V257 HydrophobicContact CB-CG1 3.87Å; W193-V257 HydrophobicContact CG-CG1 4.24Å; L252-V257 HydrophobicContact CD1-CG2 4.21Å
258	R	98.6	Very high	97	Very high	83 Å²	83	71.3 Å²	71.3	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.9	180	-55.2	179.1	-66.5	155.3	-6.1	109.5	K40 D42 L45 W193 T194	K40-R258 WeakPolarHBondContact O-CA 3.27Å; D42-R258 HydrophobicContact CB-CB 4.1Å; D42-R258 VanDerWaalsContact OD2-CD 3.3Å; D42-R258 WeakPolarHBondContact OD2-CD 3.27Å; D42-R258 IonicContact OD2-CZ 3.11Å; D42-R258 IonicContact OD2-NE 3.54Å; D42-R258 IonicContact OD2-NH1 2.73Å; D42-R258 PolarHBondContact OD2-NH1 3.24Å; L45-R258 HydrophobicContact CD1-CB 4Å; W193-R258 CarbonylContact C-O 3.56Å; W193-R258 WeakPolarHBondContact CA-O 3.32Å; T194-R258 HydrophobicContact CG2-CB 4.07Å; T194-R258 PolarHBondContact N-O 2.73Å; T194-R258 PolarHBondContact O-N 3.08Å
259	A	98.6	Very high	96.9	Very high	2 Å²	2	71.7 Å²	71.7	2%	0.017	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143	175.6	0	0	0	0	0	111.7	V39 K40 Y41 D42 Y192 F261	V39-A259 HydrophobicContact CG1-CB 3.5Å; K40-A259 PolarHBondContact O-N 3.32Å; Y41-A259 WeakPolarHBondContact CA-O 3.42Å; Y41-A259 WeakPolarHBondContact CD2-O 3.46Å; D42-A259 PolarHBondContact N-O 2.73Å; Y192-A259 WeakPolarHBondContact O-CA 3.33Å; A259-F261 HydrophobicContact CB-CD1 4.07Å; A259-F261 HydrophobicContact CB-CE1 3.95Å; A259-F261 HydrophobicContact CB-CG 4.46Å; A259-F261 HydrophobicContact CB-CZ 4.22Å; A259-F261 WeakPolarHBondContact CB-O 3.43Å; A259-F261 PolarHBondContact O-N 2.93Å
260	S	98.4	Very high	96.8	Very high	26 Å²	26	74 Å²	74	18%	0.182	36%	0.361	C	S	.	.	S	Bend	trans	-79.7	-0.2	171.2	72.4	0	0	0	0	113.5	Y41 Y192	Y41-S260 WeakPolarHBondContact CE2-O 3.27Å; Y192-S260 PolarHBondContact N-OG 2.67Å; Y192-S260 PolarHBondContact O-N 2.92Å; Y192-S260 PolarHBondContact O-OG 2.92Å
261	F	96.9	Very high	96.6	Very high	26 Å²	26	77.2 Å²	77.2	11%	0.114	38%	0.377	C	S	.	.			trans	-137.8	164	-173.8	62.5	-86.7	0	0	0	110.4	Y41 D191 W193 K214 A259	Y41-F261 VanDerWaalsContact CD2-C 3.47Å; Y41-F261 VanDerWaalsContact CD2-O 3.27Å; Y41-F261 WeakPolarHBondContact CD2-O 3.3Å; D191-F261 HydrophobicContact CB-CB 4.31Å; D191-F261 HydrophobicContact CB-CD1 3.67Å; D191-F261 HydrophobicContact CB-CE1 4.3Å; D191-F261 HydrophobicContact CB-CG 4.15Å; W193-F261 HydrophobicContact CD2-CE1 4.35Å; W193-F261 HydrophobicContact CD2-CZ 4.24Å; W193-F261 AromaticContact CE2-CZ 3.49Å; W193-F261 VanDerWaalsContact CE2-CZ 3.49Å; W193-F261 HydrophobicContact CH2-CZ 4.41Å; W193-F261 HydrophobicContact CZ2-CE1 4.43Å; W193-F261 HydrophobicContact CZ2-CE2 4.48Å; W193-F261 AromaticContact CZ2-CZ 3.59Å; W193-F261 HydrophobicContact CZ2-CZ 3.59Å; W193-F261 AromaticContact NE1-CE1 3.97Å; W193-F261 AromaticContact NE1-CZ 3.47Å; K214-F261 HydrophobicContact CB-CE1 4.01Å; K214-F261 HydrophobicContact CB-CZ 4.18Å; K214-F261 HydrophobicContact CD-CD1 4.27Å; K214-F261 HydrophobicContact CD-CD2 4.03Å; K214-F261 HydrophobicContact CD-CE1 3.88Å; K214-F261 HydrophobicContact CD-CE2 3.63Å; K214-F261 HydrophobicContact CD-CG 4.33Å; K214-F261 HydrophobicContact CD-CZ 3.53Å; K214-F261 HydrophobicContact CG-CE1 4.22Å; K214-F261 HydrophobicContact CG-CE2 4.42Å; K214-F261 HydrophobicContact CG-CZ 3.89Å; A259-F261 HydrophobicContact CB-CD1 4.07Å; A259-F261 HydrophobicContact CB-CE1 3.95Å; A259-F261 HydrophobicContact CB-CG 4.46Å; A259-F261 HydrophobicContact CB-CZ 4.22Å; A259-F261 WeakPolarHBondContact CB-O 3.43Å; A259-F261 PolarHBondContact O-N 2.93Å
262	Y	88.4	Confident	96.5	Very high	239 Å²	239	76.5 Å²	76.5	94%	0.937	36%	0.362	S	S	*	.			trans	-77.4	0	177.4	-70.9	-83.6	0	0	0	113.2	Y41	Y41-Y262 AromaticContact CD1-CD1 3.92Å; Y41-Y262 HydrophobicContact CD1-CD1 3.92Å; Y41-Y262 AromaticContact CD1-CE1 3.5Å; Y41-Y262 HydrophobicContact CD1-CE1 3.5Å; Y41-Y262 VanDerWaalsContact CD1-CE1 3.5Å; Y41-Y262 HydrophobicContact CD1-CE2 4.3Å; Y41-Y262 HydrophobicContact CD1-CG 4.49Å; Y41-Y262 AromaticContact CD1-CZ 3.71Å; Y41-Y262 HydrophobicContact CE1-CD1 4.45Å; Y41-Y262 AromaticContact CE1-CE1 3.76Å; Y41-Y262 HydrophobicContact CE1-CE1 3.76Å; Y41-Y262 AromaticContact CE1-CE2 3.89Å; Y41-Y262 HydrophobicContact CE1-CE2 3.89Å; Y41-Y262 AromaticContact CE1-CZ 3.43Å; Y41-Y262 VanDerWaalsContact CE1-CZ 3.43Å; Y41-Y262 WeakPolarHBondContact CE1-OH 3.02Å; Y41-Y262 HydrophobicContact CG-CD1 4.2Å; Y41-Y262 HydrophobicContact CG-CE1 4.24Å

Retrieved 262 of 262 residues in 83.9 ms (Link to these results)

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