A0A096NHA3_PAPAN Loading...

Ketimine reductase mu-crystallin

Catalyzes the NAD(P)H-dependent reduction of imine double bonds of a number of cyclic ketimine substrates, including sulfur-containing cyclic ketimines. Under physiological conditions, it efficiently catalyzes delta(1)-piperideine-2-carboxylate (P2C) and delta(1)-pyrroline-2-carboxylate (Pyr2C) reduction, suggesting a central role in lysine and glutamate metabolism. Additional substrates are delta(2)-thiazoline-2-carboxylate (T2C), 3,4-dehydrothiomorpholine-3-carboxylate (AECK), and (R)-lanthionine ketimine (LK) that is reduced at very low rate compared to other substrates. Also catalyzes the NAD(P)H-dependent reduction of (S)-cystathionine ketimine (CysK).

AlphaFold DB (A0A2K5UAF4), UniProt , Accession A0A096NHA3, Species PAPAN (Papio anubis, Olive baboon), Gene CRYM, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.9	Low	91	Very high	232 Å²	232	98.4 Å²	98.4	100%	1.143	53%	0.533	S	S	*	.				0	125.4	0	-73.6	178	-149.2	0	0	107	R3	M1-R3 PolarHBondContact O-N 3Å
2	N	72.6	Confident	91.6	Very high	165 Å²	165	95.3 Å²	95.3	88%	0.882	51%	0.513	S	S	*	.			trans	-67.6	114.2	175.9	-72.2	-2.1	0	0	0	108.4
3	R	89.4	Confident	92.1	Very high	181 Å²	181	87.9 Å²	87.9	68%	0.683	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-72.8	137.6	172.6	-62.9	173.9	86.6	-180	4.2	107.7	M1 T105	M1-R3 PolarHBondContact O-N 3Å; R3-T105 HydrophobicContact CB-CG2 4.32Å
4	V	95.8	Very high	92.5	Very high	136 Å²	136	87.1 Å²	87.1	82%	0.824	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-68.3	128.9	170.5	178.9	0	0	0	0	107.3
5	P	97.6	Very high	92.8	Very high	52 Å²	52	88.4 Å²	88.4	34%	0.338	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-64.9	144.1	-180	28.4	-36.2	0	0	0	110.5	L106 V109	P5-L106 HydrophobicContact CB-CB 4.41Å; P5-L106 HydrophobicContact CB-CD2 3.92Å; P5-L106 HydrophobicContact CB-CG 3.82Å; P5-L106 HydrophobicContact CG-CD2 4.04Å; P5-L106 HydrophobicContact CG-CG 4.46Å; P5-V109 HydrophobicContact CB-CG2 4.45Å
6	A	98.2	Very high	93.1	Very high	19 Å²	19	85.4 Å²	85.4	16%	0.157	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	147	169.5	0	0	0	0	0	110.4	L8 L107 A108 V109 W310	A6-L8 HydrophobicContact CB-CD1 3.76Å; A6-L107 PolarHBondContact N-O 3.01Å; A6-A108 HydrophobicContact CB-CB 4.29Å; A6-A108 CarbonylContact O-C 3.6Å; A6-A108 WeakPolarHBondContact O-CA 3.34Å; A6-V109 PolarHBondContact O-N 3.43Å; A6-W310 HydrophobicContact CB-CH2 3.26Å; A6-W310 HydrophobicContact CB-CZ2 3.79Å; A6-W310 HydrophobicContact CB-CZ3 3.97Å
7	F	98.6	Very high	93.2	Very high	145 Å²	145	80.4 Å²	80.4	64%	0.636	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.4	168.9	-174.7	-96.1	0	0	0	108.3	V109	F7-V109 CarbonylContact C-O 2.82Å; F7-V109 WeakPolarHBondContact CA-O 3.34Å; F7-V109 HydrophobicContact CD2-CB 4.18Å; F7-V109 HydrophobicContact CD2-CG1 4.21Å; F7-V109 HydrophobicContact CE2-CG1 4.3Å
8	L	98.6	Very high	92.9	Very high	0 Å²	0	85.8 Å²	85.8	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.4	178.6	-72.5	71.6	0	0	0	108.4	A6 V13 A108 V109 M110 D111 I306 W310	A6-L8 HydrophobicContact CB-CD1 3.76Å; L8-V13 HydrophobicContact CB-CG2 4.3Å; L8-A108 HydrophobicContact CD1-CB 3.99Å; L8-V109 PolarHBondContact N-O 3.41Å; L8-M110 HydrophobicContact CB-CB 3.9Å; L8-M110 WeakPolarHBondContact O-CA 3.34Å; L8-D111 PolarHBondContact O-N 3.41Å; L8-I306 HydrophobicContact CD2-CG2 3.94Å; L8-W310 HydrophobicContact CD1-CD2 4.37Å; L8-W310 HydrophobicContact CD1-CZ2 4.12Å; L8-W310 HydrophobicContact CD2-CB 4.13Å; L8-W310 HydrophobicContact CD2-CD2 4.16Å; L8-W310 HydrophobicContact CD2-CG 3.85Å; L8-W310 HydrophobicContact CG-CD2 4.37Å; L8-W310 HydrophobicContact CG-CG 4.36Å
9	S	98.6	Very high	92.7	Very high	40 Å²	40	82.6 Å²	82.6	28%	0.28	42%	0.423	S	S	.	.			trans	-68	164.9	176.2	64.4	0	0	0	0	112.1	A11 E12 V13	S9-A11 PolarHBondContact O-N 2.92Å; S9-E12 WeakPolarHBondContact CB-OE2 3.29Å; S9-E12 PolarHBondContact N-OE2 3.38Å; S9-E12 PolarHBondContact O-N 3.31Å; S9-E12 VanDerWaalsContact O-N 3.16Å; S9-E12 WeakPolarHBondContact OG-CG 3.49Å; S9-E12 PolarHBondContact OG-N 3.08Å; S9-E12 PolarHBondContact OG-OE2 3.08Å; S9-V13 WeakPolarHBondContact O-CG2 3.26Å; S9-V13 PolarHBondContact O-N 3.22Å
10	A	98.1	Very high	92.5	Very high	40 Å²	40	78.5 Å²	78.5	33%	0.331	40%	0.402	S	S	.	.	H	α-helix	trans	-55.7	-36.2	174	0	0	0	0	0	112.7	V13 E14 D111 V114	A10-V13 PolarHBondContact O-N 3.12Å; A10-E14 PolarHBondContact O-N 3Å; A10-D111 HydrophobicContact CB-CB 3.91Å; A10-V114 HydrophobicContact CB-CG2 4.16Å
11	A	98.1	Very high	92.4	Very high	72 Å²	72	75.6 Å²	75.6	60%	0.595	39%	0.389	S	S	*	.	H	α-helix	trans	-67.2	-42.4	177.9	0	0	0	0	0	112.2	S9 V13 E14 E15	S9-A11 PolarHBondContact O-N 2.92Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-E14 PolarHBondContact O-N 3.21Å; A11-E15 PolarHBondContact O-N 3.14Å
12	E	98.1	Very high	94.2	Very high	61 Å²	61	69.7 Å²	69.7	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-37.9	174.2	-71	164.3	102.3	0	0	111.3	S9 E15 H16	S9-E12 WeakPolarHBondContact CB-OE2 3.29Å; S9-E12 PolarHBondContact N-OE2 3.38Å; S9-E12 PolarHBondContact O-N 3.31Å; S9-E12 VanDerWaalsContact O-N 3.16Å; S9-E12 WeakPolarHBondContact OG-CG 3.49Å; S9-E12 PolarHBondContact OG-N 3.08Å; S9-E12 PolarHBondContact OG-OE2 3.08Å; E12-E15 PolarHBondContact O-N 2.99Å; E12-H16 PolarHBondContact O-CD2 2.93Å; E12-H16 PolarHBondContact O-N 3.28Å; E12-H16 VanDerWaalsContact O-N 3.1Å
13	V	98.3	Very high	95.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-45.4	174.9	171.9	0	0	0	0	111.3	L8 S9 A10 A11 E15 H16 L17 M110 D111 V114 I115 I306	L8-V13 HydrophobicContact CB-CG2 4.3Å; S9-V13 WeakPolarHBondContact O-CG2 3.26Å; S9-V13 PolarHBondContact O-N 3.22Å; A10-V13 PolarHBondContact O-N 3.12Å; A11-V13 VanDerWaalsContact C-N 3.34Å; V13-E15 VanDerWaalsContact C-N 3.35Å; V13-E15 PolarHBondContact O-N 2.99Å; V13-H16 PolarHBondContact O-N 2.97Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 2.99Å; V13-M110 HydrophobicContact CG2-CB 4.17Å; V13-D111 HydrophobicContact CG2-CB 4.17Å; V13-V114 HydrophobicContact CB-CB 4.48Å; V13-V114 HydrophobicContact CG1-CB 3.75Å; V13-V114 HydrophobicContact CG1-CG1 3.71Å; V13-I115 HydrophobicContact CG1-CG1 3.94Å; V13-I306 HydrophobicContact CG1-CD1 3.78Å
14	E	96.9	Very high	95.8	Very high	76 Å²	76	54 Å²	54	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-40.4	173.5	-80.8	-68.1	171.5	0	0	112.3	A10 A11 H16 L17 R18 V114 K118	A10-E14 PolarHBondContact O-N 3Å; A11-E14 PolarHBondContact O-N 3.21Å; E14-H16 PolarHBondContact O-N 3.1Å; E14-L17 CarbonylContact O-C 3.53Å; E14-L17 PolarHBondContact O-N 3.05Å; E14-R18 WeakPolarHBondContact O-CG 3.35Å; E14-R18 PolarHBondContact O-N 3.21Å; E14-V114 HydrophobicContact CG-CG1 3.85Å; E14-V114 HydrophobicContact CG-CG2 3.87Å; E14-V114 WeakPolarHBondContact OE1-CG1 3.38Å; E14-K118 VanDerWaalsContact OE1-CE 3.25Å; E14-K118 WeakPolarHBondContact OE1-CE 3.3Å; E14-K118 IonicContact OE1-NZ 2.71Å; E14-K118 PolarHBondContact OE1-NZ 3.21Å; E14-K118 WeakPolarHBondContact OE2-CE 3.3Å; E14-K118 IonicContact OE2-NZ 3.53Å; E14-K118 PolarHBondContact OE2-NZ 3.18Å
15	E	97	Very high	96	Very high	107 Å²	107	51 Å²	51	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-36.5	178.7	-177.6	173.8	-175.8	0	0	112.4	A11 E12 V13 R18	A11-E15 PolarHBondContact O-N 3.14Å; E12-E15 PolarHBondContact O-N 2.99Å; V13-E15 VanDerWaalsContact C-N 3.35Å; V13-E15 PolarHBondContact O-N 2.99Å; E15-R18 VanDerWaalsContact O-CG 3.24Å; E15-R18 WeakPolarHBondContact O-CG 3.33Å; E15-R18 PolarHBondContact O-NE 2.89Å
16	H	97.4	Very high	96	Very high	40 Å²	40	50.2 Å²	50.2	19%	0.185	27%	0.269	C	S	.	.	H	α-helix	trans	-95.6	-7	-178.7	-70.9	-68.7	0	0	0	114.1	E12 V13 E14 I306 S309 W310	E12-H16 PolarHBondContact O-CD2 2.93Å; E12-H16 PolarHBondContact O-N 3.28Å; E12-H16 VanDerWaalsContact O-N 3.1Å; V13-H16 PolarHBondContact O-N 2.97Å; E14-H16 PolarHBondContact O-N 3.1Å; H16-I306 HydrophobicContact CB-CG2 4.1Å; H16-S309 PolarHBondContact ND1-OG 3Å; H16-W310 AromaticContact CD2-CD1 3.87Å; H16-W310 VanDerWaalsContact CE1-CA 3.46Å; H16-W310 WeakPolarHBondContact CE1-CA 3.33Å; H16-W310 AromaticContact NE2-CD1 3.59Å
17	L	94.8	Very high	96	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.262	C	S	.	.			trans	-133.2	63.1	175.5	-169.8	63.7	0	0	0	111.2	V13 E14 S19 L23 K118 L305 I306	V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 2.99Å; E14-L17 CarbonylContact O-C 3.53Å; E14-L17 PolarHBondContact O-N 3.05Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 2.76Å; L17-L23 HydrophobicContact CD1-CD1 4.29Å; L17-L23 HydrophobicContact CD1-CD2 3.66Å; L17-L23 HydrophobicContact CD1-CG 3.83Å; L17-L23 HydrophobicContact CD2-CD1 4Å; L17-L23 HydrophobicContact CD2-CD2 4.45Å; L17-L23 HydrophobicContact CD2-CG 4.45Å; L17-K118 HydrophobicContact CD2-CB 4.22Å; L17-K118 HydrophobicContact CD2-CD 3.77Å; L17-K118 HydrophobicContact CG-CD 3.81Å; L17-K118 WeakPolarHBondContact O-CD 3.29Å; L17-K118 WeakPolarHBondContact O-CE 3.28Å; L17-K118 PolarHBondContact O-NZ 2.97Å; L17-L305 HydrophobicContact CD1-CD2 4.08Å; L17-I306 HydrophobicContact CB-CD1 4.15Å; L17-I306 HydrophobicContact CB-CG1 3.86Å; L17-I306 HydrophobicContact CD2-CD1 3.88Å; L17-I306 HydrophobicContact CD2-CG1 4.33Å
18	R	88.1	Confident	96	Very high	178 Å²	178	44.1 Å²	44.1	67%	0.672	24%	0.239	S	C	*	.			trans	-69.9	-25.2	-169.7	-60.7	-177.5	-175.6	-174.8	-3.2	115	E14 E15	E14-R18 WeakPolarHBondContact O-CG 3.35Å; E14-R18 PolarHBondContact O-N 3.21Å; E15-R18 VanDerWaalsContact O-CG 3.24Å; E15-R18 WeakPolarHBondContact O-CG 3.33Å; E15-R18 PolarHBondContact O-NE 2.89Å
19	S	88.3	Confident	96	Very high	25 Å²	25	47.3 Å²	47.3	18%	0.175	26%	0.259	C	S	.	.			trans	-136.5	128.2	177.3	168	0	0	0	0	109.3	L17 S21 L22 E157	L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 2.76Å; S19-S21 PolarHBondContact O-N 2.93Å; S19-S21 VanDerWaalsContact OG-CB 3.29Å; S19-S21 WeakPolarHBondContact OG-CB 3.4Å; S19-S21 PolarHBondContact OG-N 2.74Å; S19-S21 VanDerWaalsContact OG-N 3.14Å; S19-L22 WeakPolarHBondContact O-CB 3.44Å; S19-L22 PolarHBondContact O-N 3.21Å; S19-E157 PolarHBondContact OG-OE2 3.15Å
20	S	88.9	Confident	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.2	172.6	50.4	0	0	0	0	111.6	L22 L23 I154	S20-L22 PolarHBondContact O-N 2.62Å; S20-L23 VanDerWaalsContact O-CB 3.29Å; S20-L23 WeakPolarHBondContact O-CB 3.46Å; S20-L23 PolarHBondContact O-N 3.5Å; S20-I154 WeakPolarHBondContact OG-CB 3.16Å; S20-I154 WeakPolarHBondContact OG-CD1 3.38Å
21	S	91.1	Very high	96.1	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.119	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.5	-27.3	175.9	-61.9	0	0	0	0	112.8	S19 L23 I24 E157 Q158	S19-S21 PolarHBondContact O-N 2.93Å; S19-S21 VanDerWaalsContact OG-CB 3.29Å; S19-S21 WeakPolarHBondContact OG-CB 3.4Å; S19-S21 PolarHBondContact OG-N 2.74Å; S19-S21 VanDerWaalsContact OG-N 3.14Å; S21-L23 PolarHBondContact O-N 3.01Å; S21-I24 WeakPolarHBondContact O-CB 3.34Å; S21-I24 PolarHBondContact O-N 3.42Å; S21-E157 PolarHBondContact OG-OE1 2.77Å; S21-E157 PolarHBondContact OG-OE2 2.68Å; S21-Q158 VanDerWaalsContact CB-NE2 3.3Å; S21-Q158 PolarHBondContact OG-NE2 2.67Å
22	L	93.6	Very high	96.1	Very high	108 Å²	108	40.8 Å²	40.8	57%	0.565	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-68	-20.3	173.3	-62.4	175.8	0	0	0	112.8	S19 S20 P26	S19-L22 WeakPolarHBondContact O-CB 3.44Å; S19-L22 PolarHBondContact O-N 3.21Å; S20-L22 PolarHBondContact O-N 2.62Å; L22-P26 WeakPolarHBondContact O-CD 3.41Å
23	L	97.8	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-79.9	-16.9	174.6	-64.1	177.6	0	0	0	112.9	L17 S20 S21 P26 L27 K118 R119 A122 A302	L17-L23 HydrophobicContact CD1-CD1 4.29Å; L17-L23 HydrophobicContact CD1-CD2 3.66Å; L17-L23 HydrophobicContact CD1-CG 3.83Å; L17-L23 HydrophobicContact CD2-CD1 4Å; L17-L23 HydrophobicContact CD2-CD2 4.45Å; L17-L23 HydrophobicContact CD2-CG 4.45Å; S20-L23 VanDerWaalsContact O-CB 3.29Å; S20-L23 WeakPolarHBondContact O-CB 3.46Å; S20-L23 PolarHBondContact O-N 3.5Å; S21-L23 PolarHBondContact O-N 3.01Å; L23-P26 VanDerWaalsContact O-CD 3.23Å; L23-P26 WeakPolarHBondContact O-CD 3.45Å; L23-P26 WeakPolarHBondContact O-CG 3.32Å; L23-L27 HydrophobicContact CB-CD1 3.56Å; L23-L27 HydrophobicContact CB-CG 4.12Å; L23-L27 HydrophobicContact CD1-CD1 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 WeakPolarHBondContact O-CD1 3.49Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 2.95Å; L23-K118 HydrophobicContact CD1-CB 4.11Å; L23-R119 HydrophobicContact CD1-CB 4.2Å; L23-A122 HydrophobicContact CB-CB 4.18Å; L23-A302 HydrophobicContact CD1-CB 4.34Å; L23-A302 HydrophobicContact CD2-CB 3.96Å
24	I	98.5	Very high	96.2	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-54.8	-172.9	-69.4	171.8	0	0	0	111.5	S21 L27 E28 A122 I126 I154 Q158	S21-I24 WeakPolarHBondContact O-CB 3.34Å; S21-I24 PolarHBondContact O-N 3.42Å; I24-L27 PolarHBondContact O-N 3.44Å; I24-E28 HydrophobicContact CG2-CG 4.35Å; I24-E28 WeakPolarHBondContact O-CG 3.36Å; I24-E28 PolarHBondContact O-N 2.87Å; I24-A122 HydrophobicContact CG1-CB 4.37Å; I24-I126 HydrophobicContact CB-CG1 4.49Å; I24-I126 HydrophobicContact CG1-CG1 4.42Å; I24-I126 HydrophobicContact CG2-CD1 4.35Å; I24-I126 HydrophobicContact CG2-CG1 3.89Å; I24-I154 HydrophobicContact CD1-CD1 4Å; I24-I154 HydrophobicContact CG1-CD1 4.22Å; I24-Q158 HydrophobicContact CD1-CG 3.89Å
25	P	98.5	Very high	96.3	Very high	74 Å²	74	38.9 Å²	38.9	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-47.6	-179.6	-22.3	33.3	0	0	0	115.3	L27 E28 T29	P25-L27 VanDerWaalsContact C-N 3.32Å; P25-L27 PolarHBondContact O-N 3.26Å; P25-E28 PolarHBondContact O-N 2.69Å; P25-T29 PolarHBondContact O-N 3.44Å; P25-T29 VanDerWaalsContact O-N 3.13Å; P25-T29 PolarHBondContact O-OG1 2.91Å
26	P	98.4	Very high	96.3	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-31.5	177.4	25.1	-33	0	0	0	112.5	L22 L23 T29 A30 V301 L305	L22-P26 WeakPolarHBondContact O-CD 3.41Å; L23-P26 VanDerWaalsContact O-CD 3.23Å; L23-P26 WeakPolarHBondContact O-CD 3.45Å; L23-P26 WeakPolarHBondContact O-CG 3.32Å; P26-T29 PolarHBondContact O-N 3.19Å; P26-A30 WeakPolarHBondContact O-CB 3.44Å; P26-A30 PolarHBondContact O-N 2.78Å; P26-V301 HydrophobicContact CB-CB 4.46Å; P26-L305 HydrophobicContact CG-CD1 4.29Å
27	L	98.9	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-42.6	173.5	-74.1	169.5	0	0	0	112	L23 I24 P25 T29 A30 L31 A122 V123 I126 E298 V301	L23-L27 HydrophobicContact CB-CD1 3.56Å; L23-L27 HydrophobicContact CB-CG 4.12Å; L23-L27 HydrophobicContact CD1-CD1 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 WeakPolarHBondContact O-CD1 3.49Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 2.95Å; I24-L27 PolarHBondContact O-N 3.44Å; P25-L27 VanDerWaalsContact C-N 3.32Å; P25-L27 PolarHBondContact O-N 3.26Å; L27-T29 PolarHBondContact O-N 3.31Å; L27-A30 PolarHBondContact O-N 3.06Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.88Å; L27-A122 HydrophobicContact CD1-CB 3.49Å; L27-A122 VanDerWaalsContact CD1-CB 3.49Å; L27-V123 HydrophobicContact CD1-CG2 4.04Å; L27-V123 HydrophobicContact CD2-CG2 4.14Å; L27-I126 HydrophobicContact CB-CD1 3.63Å; L27-E298 HydrophobicContact CD2-CB 3.71Å; L27-E298 HydrophobicContact CD2-CG 4Å; L27-V301 HydrophobicContact CD2-CG2 3.53Å; L27-V301 HydrophobicContact CG-CG2 4.07Å
28	E	98.9	Very high	96.5	Very high	35 Å²	35	40 Å²	40	16%	0.164	23%	0.229	C	C	.	.	H	α-helix	trans	-56	-42	174.2	-76.2	-176	158.8	0	0	110.8	I24 P25 A32 I126 K129 I276	I24-E28 HydrophobicContact CG2-CG 4.35Å; I24-E28 WeakPolarHBondContact O-CG 3.36Å; I24-E28 PolarHBondContact O-N 2.87Å; P25-E28 PolarHBondContact O-N 2.69Å; E28-A32 WeakPolarHBondContact O-CB 3.21Å; E28-A32 PolarHBondContact O-N 3.05Å; E28-I126 HydrophobicContact CG-CB 4.49Å; E28-I126 HydrophobicContact CG-CD1 3.74Å; E28-I126 HydrophobicContact CG-CG1 3.81Å; E28-I126 HydrophobicContact CG-CG2 3.8Å; E28-K129 IonicContact OE1-NZ 3.65Å; E28-K129 PolarHBondContact OE1-NZ 3.2Å; E28-K129 IonicContact OE2-NZ 3.37Å; E28-I276 HydrophobicContact CB-CG2 4.22Å; E28-I276 HydrophobicContact CG-CD1 4.45Å
29	T	98.8	Very high	96.9	Very high	67 Å²	67	39.6 Å²	39.6	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-49.2	176.1	-55.8	0	0	0	0	111.6	P25 P26 L27 L31 A32 N33	P25-T29 PolarHBondContact O-N 3.44Å; P25-T29 VanDerWaalsContact O-N 3.13Å; P25-T29 PolarHBondContact O-OG1 2.91Å; P26-T29 PolarHBondContact O-N 3.19Å; L27-T29 PolarHBondContact O-N 3.31Å; T29-L31 PolarHBondContact O-N 2.77Å; T29-A32 PolarHBondContact O-N 3.1Å; T29-N33 VanDerWaalsContact O-CB 3.31Å; T29-N33 WeakPolarHBondContact O-CB 3.32Å; T29-N33 VanDerWaalsContact O-CG 3.24Å; T29-N33 PolarHBondContact O-N 2.8Å; T29-N33 PolarHBondContact O-ND2 3.49Å
30	A	98.8	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-42.7	179.5	0	0	0	0	0	112.8	P26 L27 N33 F34 V297 V301	P26-A30 WeakPolarHBondContact O-CB 3.44Å; P26-A30 PolarHBondContact O-N 2.78Å; L27-A30 PolarHBondContact O-N 3.06Å; A30-N33 PolarHBondContact O-N 3.5Å; A30-F34 WeakPolarHBondContact O-CB 3.35Å; A30-F34 PolarHBondContact O-N 3.15Å; A30-V297 HydrophobicContact CB-CG1 4.45Å; A30-V297 HydrophobicContact CB-CG2 4.05Å; A30-V301 HydrophobicContact CB-CG1 3.78Å; A30-V301 HydrophobicContact CB-CG2 4.5Å
31	L	98.9	Very high	97.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-48.2	177.1	-67.7	168.7	0	0	0	110.9	L27 T29 N33 F34 S35 V123 I126 L272 G273 I276 M295	L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.88Å; T29-L31 PolarHBondContact O-N 2.77Å; L31-N33 VanDerWaalsContact C-N 3.33Å; L31-N33 PolarHBondContact O-N 2.88Å; L31-F34 PolarHBondContact O-N 3.47Å; L31-S35 PolarHBondContact O-N 3.22Å; L31-V123 HydrophobicContact CD1-CG1 4.28Å; L31-V123 HydrophobicContact CD1-CG2 4.37Å; L31-I126 HydrophobicContact CD1-CD1 4.17Å; L31-I126 HydrophobicContact CD1-CG2 4.33Å; L31-L272 HydrophobicContact CD1-CD2 3.91Å; L31-L272 HydrophobicContact CD1-CG 4.42Å; L31-G273 WeakPolarHBondContact O-CA 3.4Å; L31-I276 HydrophobicContact CB-CD1 3.7Å; L31-I276 HydrophobicContact CD1-CD1 3.73Å; L31-I276 HydrophobicContact CG-CD1 4.38Å; L31-M295 HydrophobicContact CD2-CE 3.29Å
32	A	98.9	Very high	98.2	Very high	15 Å²	15	39.8 Å²	39.8	12%	0.124	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-39.7	177.9	0	0	0	0	0	112.4	E28 T29 S36 I276	E28-A32 WeakPolarHBondContact O-CB 3.21Å; E28-A32 PolarHBondContact O-N 3.05Å; T29-A32 PolarHBondContact O-N 3.1Å; A32-S36 WeakPolarHBondContact O-CB 3.2Å; A32-S36 PolarHBondContact O-N 2.84Å; A32-S36 VanDerWaalsContact O-N 3.13Å; A32-S36 PolarHBondContact O-OG 2.97Å; A32-I276 HydrophobicContact CB-CB 4.41Å; A32-I276 HydrophobicContact CB-CG2 3.98Å
33	N	98.8	Very high	98.5	Very high	38 Å²	38	41 Å²	41	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-46.4	175.6	-76.2	-13.6	0	0	0	111.2	T29 A30 L31 S35 S36 G40 V42	T29-N33 VanDerWaalsContact O-CB 3.31Å; T29-N33 WeakPolarHBondContact O-CB 3.32Å; T29-N33 VanDerWaalsContact O-CG 3.24Å; T29-N33 PolarHBondContact O-N 2.8Å; T29-N33 PolarHBondContact O-ND2 3.49Å; A30-N33 PolarHBondContact O-N 3.5Å; L31-N33 VanDerWaalsContact C-N 3.33Å; L31-N33 PolarHBondContact O-N 2.88Å; N33-S35 PolarHBondContact O-N 2.84Å; N33-S36 WeakPolarHBondContact O-CB 3.29Å; N33-S36 PolarHBondContact O-N 3.1Å; N33-G40 WeakPolarHBondContact CB-O 3.24Å; N33-G40 WeakPolarHBondContact O-CA 3.36Å; N33-V42 HydrophobicContact CB-CG2 3.88Å
34	F	98.8	Very high	98.5	Very high	34 Å²	34	42.6 Å²	42.6	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-51.2	176.5	173.7	-98	0	0	0	111.9	A30 L31 S36 G37 V42 Q44 M295	A30-F34 WeakPolarHBondContact O-CB 3.35Å; A30-F34 PolarHBondContact O-N 3.15Å; L31-F34 PolarHBondContact O-N 3.47Å; F34-S36 PolarHBondContact O-N 3.43Å; F34-S36 VanDerWaalsContact O-N 3.16Å; F34-G37 PolarHBondContact O-N 3.3Å; F34-V42 HydrophobicContact CB-CG1 4.44Å; F34-V42 HydrophobicContact CD2-CG1 4.04Å; F34-Q44 HydrophobicContact CD2-CB 4.41Å; F34-Q44 HydrophobicContact CE2-CB 4.2Å; F34-Q44 HydrophobicContact CE2-CG 4.48Å; F34-Q44 VanDerWaalsContact CE2-NE2 3.29Å; F34-M295 HydrophobicContact CD1-CE 3.97Å; F34-M295 HydrophobicContact CD1-SD 3.66Å; F34-M295 HydrophobicContact CD2-SD 4.4Å; F34-M295 HydrophobicContact CE1-CE 4.42Å; F34-M295 HydrophobicContact CE1-SD 3.55Å; F34-M295 VanDerWaalsContact CE1-SD 3.55Å; F34-M295 HydrophobicContact CE2-SD 4.31Å; F34-M295 HydrophobicContact CG-CE 4.32Å; F34-M295 HydrophobicContact CG-SD 4.1Å; F34-M295 HydrophobicContact CZ-SD 3.9Å
35	S	98.7	Very high	98.5	Very high	25 Å²	25	45.5 Å²	45.5	18%	0.175	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.2	178.7	-59.6	0	0	0	0	114.1	L31 N33 G37 E271 G273	L31-S35 PolarHBondContact O-N 3.22Å; N33-S35 PolarHBondContact O-N 2.84Å; S35-G37 VanDerWaalsContact C-N 3.29Å; S35-E271 VanDerWaalsContact CB-OE2 3.31Å; S35-E271 WeakPolarHBondContact CB-OE2 3.37Å; S35-E271 WeakPolarHBondContact OG-CB 3.41Å; S35-E271 PolarHBondContact OG-OE2 2.88Å; S35-G273 WeakPolarHBondContact OG-CA 3.23Å
36	S	98.4	Very high	98.4	Very high	19 Å²	19	43.3 Å²	43.3	13%	0.133	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	3.5	173.1	-65.7	0	0	0	0	113.3	A32 N33 F34 K277	A32-S36 WeakPolarHBondContact O-CB 3.2Å; A32-S36 PolarHBondContact O-N 2.84Å; A32-S36 VanDerWaalsContact O-N 3.13Å; A32-S36 PolarHBondContact O-OG 2.97Å; N33-S36 WeakPolarHBondContact O-CB 3.29Å; N33-S36 PolarHBondContact O-N 3.1Å; F34-S36 PolarHBondContact O-N 3.43Å; F34-S36 VanDerWaalsContact O-N 3.16Å; S36-K277 WeakPolarHBondContact OG-CD 3.3Å; S36-K277 PolarHBondContact OG-NZ 2.9Å
37	G	97.4	Very high	98.4	Very high	35 Å²	35	43 Å²	43	36%	0.361	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	67.1	-151.4	-179.8	0	0	0	0	0	112.4	F34 S35 E39 G40	F34-G37 PolarHBondContact O-N 3.3Å; S35-G37 VanDerWaalsContact C-N 3.29Å; G37-E39 PolarHBondContact O-N 2.91Å; G37-E39 VanDerWaalsContact O-N 3.16Å; G37-G40 PolarHBondContact O-N 2.84Å
38	P	97.6	Very high	98.4	Very high	117 Å²	117	46.9 Å²	46.9	76%	0.76	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-54.7	-35.2	-176.4	-27	36	0	0	0	114.3	G40 G41	P38-G40 PolarHBondContact O-N 3.33Å; P38-G41 PolarHBondContact O-N 3.41Å
39	E	97.4	Very high	98.3	Very high	169 Å²	169	46.9 Å²	46.9	79%	0.79	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.2	-179.7	-64	78	-170.9	0	0	113.1	G37 G41	G37-E39 PolarHBondContact O-N 2.91Å; G37-E39 VanDerWaalsContact O-N 3.16Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 3.15Å
40	G	98.3	Very high	98.3	Very high	6 Å²	6	47.2 Å²	47.2	6%	0.062	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-75.2	-12.4	175.5	0	0	0	0	0	114.1	N33 G37 P38 V42	N33-G40 WeakPolarHBondContact CB-O 3.24Å; N33-G40 WeakPolarHBondContact O-CA 3.36Å; G37-G40 PolarHBondContact O-N 2.84Å; P38-G40 PolarHBondContact O-N 3.33Å; G40-V42 PolarHBondContact O-N 2.83Å
41	G	98.4	Very high	98.2	Very high	23 Å²	23	50.5 Å²	50.5	24%	0.237	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	15.9	174.4	0	0	0	0	0	115.1	P38 E39 A67	P38-G41 PolarHBondContact O-N 3.41Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 3.15Å; G41-A67 WeakPolarHBondContact O-CB 3.43Å; G41-A67 PolarHBondContact O-N 3.49Å
42	V	98.8	Very high	98.1	Very high	18 Å²	18	52.8 Å²	52.8	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.2	174.7	179.8	0	0	0	0	109.5	N33 F34 G40 Q44 V297	N33-V42 HydrophobicContact CB-CG2 3.88Å; F34-V42 HydrophobicContact CB-CG1 4.44Å; F34-V42 HydrophobicContact CD2-CG1 4.04Å; G40-V42 PolarHBondContact O-N 2.83Å; V42-Q44 HydrophobicContact CG1-CB 4.1Å; V42-V297 HydrophobicContact CG1-CB 3.96Å; V42-V297 HydrophobicContact CG1-CG2 3.72Å; V42-V297 HydrophobicContact CG2-CG2 4.06Å
43	M	98.8	Very high	98	Very high	134 Å²	134	57.6 Å²	57.6	66%	0.66	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	99.6	171.1	-71.3	-61.6	-62.8	0	0	109.1	A64 Y65	M43-A64 WeakPolarHBondContact O-CA 3.39Å; M43-Y65 PolarHBondContact N-O 2.9Å; M43-Y65 PolarHBondContact O-N 2.99Å
44	Q	98.6	Very high	97.9	Very high	32 Å²	32	64.6 Å²	64.6	15%	0.15	37%	0.371	C	S	.	.			trans	-131	106.3	179.5	177.1	177.1	-82.3	0	0	109.8	F34 V42 A64 A296	F34-Q44 HydrophobicContact CD2-CB 4.41Å; F34-Q44 HydrophobicContact CE2-CB 4.2Å; F34-Q44 HydrophobicContact CE2-CG 4.48Å; F34-Q44 VanDerWaalsContact CE2-NE2 3.29Å; V42-Q44 HydrophobicContact CG1-CB 4.1Å; Q44-A64 HydrophobicContact CB-CB 4.33Å; Q44-A296 HydrophobicContact CG-CB 4.15Å
45	P	98.2	Very high	97.9	Very high	78 Å²	78	67.8 Å²	67.8	51%	0.506	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-69.3	149.2	165	31.6	-34.6	0	0	0	109.8	R47 P63	P45-R47 PolarHBondContact O-N 2.92Å; P45-P63 HydrophobicContact CG-CG 3.78Å
46	V	97.2	Very high	97.7	Very high	29 Å²	29	72.2 Å²	72.2	18%	0.176	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-55.4	140.5	171.6	64.9	0	0	0	0	110.6	T48 E252 A253 K256	V46-T48 PolarHBondContact O-N 3.17Å; V46-E252 HydrophobicContact CB-CG 4.21Å; V46-E252 WeakPolarHBondContact CG1-OE1 3.33Å; V46-A253 HydrophobicContact CG2-CB 4.39Å; V46-K256 HydrophobicContact CB-CD 4.47Å; V46-K256 HydrophobicContact CG1-CD 4.05Å; V46-K256 HydrophobicContact CG2-CD 3.58Å
47	R	97.9	Very high	97.7	Very high	28 Å²	28	71.3 Å²	71.3	11%	0.106	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-49.6	139	-179.5	172.4	172.7	47.8	-127.1	4.9	111.4	P45 V49 M62 K256 E257 L293 G294	P45-R47 PolarHBondContact O-N 2.92Å; R47-V49 HydrophobicContact CG-CG2 3.98Å; R47-M62 HydrophobicContact CB-CG 4.09Å; R47-M62 HydrophobicContact CG-CG 3.77Å; R47-M62 PolarHBondContact NH1-SD 3.27Å; R47-M62 VanDerWaalsContact NH1-SD 3.35Å; R47-K256 PolarHBondContact O-NZ 2.91Å; R47-E257 IonicContact CZ-OE1 3.5Å; R47-E257 IonicContact CZ-OE2 2.78Å; R47-E257 VanDerWaalsContact CZ-OE2 3.32Å; R47-E257 IonicContact NE-OE1 2.68Å; R47-E257 PolarHBondContact NE-OE1 2.83Å; R47-E257 IonicContact NE-OE2 3.35Å; R47-E257 PolarHBondContact NE-OE2 3.1Å; R47-E257 VanDerWaalsContact NH2-CD 3.27Å; R47-E257 IonicContact NH2-OE1 3.77Å; R47-E257 PolarHBondContact NH2-OE1 3.41Å; R47-E257 IonicContact NH2-OE2 3.65Å; R47-E257 PolarHBondContact NH2-OE2 2.74Å; R47-L293 PolarHBondContact NH1-O 3.09Å; R47-L293 PolarHBondContact NH2-O 2.87Å; R47-G294 PolarHBondContact NH1-O 3.1Å
48	T	98.2	Very high	97.7	Very high	82 Å²	82	70.6 Å²	70.6	50%	0.503	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.9	169.5	-60.5	0	0	0	0	108.7	V46 G60 V61	V46-T48 PolarHBondContact O-N 3.17Å; T48-G60 CarbonylContact O-C 3.45Å; T48-G60 WeakPolarHBondContact O-CA 3.25Å; T48-V61 PolarHBondContact N-O 3.41Å; T48-V61 PolarHBondContact O-N 2.6Å
49	V	97.7	Very high	97.7	Very high	35 Å²	35	67.6 Å²	67.6	21%	0.212	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.7	177.2	-177	0	0	0	0	109.6	R47 Y58 L59	R47-V49 HydrophobicContact CG-CG2 3.98Å; V49-Y58 HydrophobicContact CG1-CD1 3.98Å; V49-Y58 HydrophobicContact CG1-CG 4.41Å; V49-L59 CarbonylContact C-O 3.56Å; V49-L59 WeakPolarHBondContact CA-O 3.43Å
50	V	98.3	Very high	97.8	Very high	74 Å²	74	59.5 Å²	59.5	45%	0.448	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.4	173	-178.4	0	0	0	0	108.3	V52 L59	V50-V52 PolarHBondContact O-N 2.91Å; V50-L59 HydrophobicContact CB-CB 4.32Å; V50-L59 PolarHBondContact N-O 3.25Å; V50-L59 PolarHBondContact O-N 3.47Å
51	P	97	Very high	97.8	Very high	68 Å²	68	61.4 Å²	61.4	44%	0.442	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.5	172.6	-19.3	32.8	0	0	0	110.7	T53 Y58	P51-T53 VanDerWaalsContact C-N 3.31Å; P51-T53 PolarHBondContact O-N 3.2Å; P51-Y58 HydrophobicContact CB-CD1 4.3Å; P51-Y58 HydrophobicContact CB-CE1 4.31Å
52	V	97.7	Very high	97.8	Very high	50 Å²	50	60.5 Å²	60.5	30%	0.303	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	61.8	172.3	-167.3	0	0	0	0	107.8	V50 K54 H55 R56 G57	V50-V52 PolarHBondContact O-N 2.91Å; V52-K54 VanDerWaalsContact C-N 3.29Å; V52-K54 PolarHBondContact O-N 2.67Å; V52-K54 VanDerWaalsContact O-N 3.1Å; V52-H55 HydrophobicContact CG1-CB 4.23Å; V52-H55 PolarHBondContact O-N 3.24Å; V52-R56 PolarHBondContact O-N 3.49Å; V52-G57 WeakPolarHBondContact CA-O 3.43Å; V52-G57 PolarHBondContact N-O 3.5Å
53	T	96.2	Very high	97.8	Very high	115 Å²	115	61.6 Å²	61.6	71%	0.706	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-51.4	-42.4	-163.8	-54.1	0	0	0	0	113.7	P51 H55 R56	P51-T53 VanDerWaalsContact C-N 3.31Å; P51-T53 PolarHBondContact O-N 3.2Å; T53-H55 PolarHBondContact O-N 2.85Å; T53-H55 VanDerWaalsContact O-N 3.09Å; T53-R56 PolarHBondContact O-N 2.69Å
54	K	97.4	Very high	97.8	Very high	186 Å²	186	55.4 Å²	55.4	81%	0.809	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-55.1	-31.6	178.5	-179.7	178.2	177.1	-176	0	113	V52	V52-K54 VanDerWaalsContact C-N 3.29Å; V52-K54 PolarHBondContact O-N 2.67Å; V52-K54 VanDerWaalsContact O-N 3.1Å
55	H	96.9	Very high	97.9	Very high	101 Å²	101	57.3 Å²	57.3	47%	0.468	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-107.1	5.9	-176.9	-63.4	-74	0	0	0	113.1	V52 T53 G57 Y80 R83	V52-H55 HydrophobicContact CG1-CB 4.23Å; V52-H55 PolarHBondContact O-N 3.24Å; T53-H55 PolarHBondContact O-N 2.85Å; T53-H55 VanDerWaalsContact O-N 3.09Å; H55-G57 VanDerWaalsContact C-N 3.29Å; H55-G57 PolarHBondContact O-N 3.12Å; H55-Y80 HydrophobicContact CB-CE1 3.94Å; H55-Y80 WeakPolarHBondContact O-CD1 3.41Å; H55-R83 PolarHBondContact O-NH2 2.75Å
56	R	95.9	Very high	97.9	Very high	117 Å²	117	53.6 Å²	53.6	44%	0.442	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	50.9	-176.4	-55.3	176.1	61.4	-170.9	-3.5	111.9	V52 T53 E81	V52-R56 PolarHBondContact O-N 3.49Å; T53-R56 PolarHBondContact O-N 2.69Å; R56-E81 HydrophobicContact CB-CB 4.42Å; R56-E81 HydrophobicContact CB-CG 4.37Å; R56-E81 IonicContact CZ-OE2 2.74Å; R56-E81 IonicContact NE-OE2 2.74Å; R56-E81 PolarHBondContact NE-OE2 3Å; R56-E81 IonicContact NH2-OE2 2.76Å; R56-E81 PolarHBondContact NH2-OE2 2.82Å; R56-E81 PolarHBondContact O-N 3.23Å; R56-E81 VanDerWaalsContact O-N 3.1Å
57	G	97.1	Very high	97.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	174.9	179.1	0	0	0	0	0	111.6	V52 H55 F79 Y80	V52-G57 WeakPolarHBondContact CA-O 3.43Å; V52-G57 PolarHBondContact N-O 3.5Å; H55-G57 VanDerWaalsContact C-N 3.29Å; H55-G57 PolarHBondContact O-N 3.12Å; G57-F79 CarbonylContact C-O 3.56Å; G57-F79 WeakPolarHBondContact CA-O 3.42Å; G57-Y80 VanDerWaalsContact CA-CD1 3.45Å
58	Y	97.9	Very high	97.9	Very high	20 Å²	20	56.4 Å²	56.4	8%	0.078	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.9	-173.5	-57.3	-87.7	0	0	0	108.9	V49 P51 T78 F79 E81 R230 W233	V49-Y58 HydrophobicContact CG1-CD1 3.98Å; V49-Y58 HydrophobicContact CG1-CG 4.41Å; P51-Y58 HydrophobicContact CB-CD1 4.3Å; P51-Y58 HydrophobicContact CB-CE1 4.31Å; Y58-T78 WeakPolarHBondContact O-CA 3.29Å; Y58-F79 VanDerWaalsContact CB-CZ 3.42Å; Y58-F79 HydrophobicContact CD1-CZ 4.43Å; Y58-F79 AromaticContact CD2-CD2 3.64Å; Y58-F79 HydrophobicContact CD2-CD2 3.64Å; Y58-F79 AromaticContact CD2-CE2 3.21Å; Y58-F79 HydrophobicContact CD2-CE2 3.21Å; Y58-F79 HydrophobicContact CD2-CG 4.46Å; Y58-F79 AromaticContact CD2-CZ 3.74Å; Y58-F79 HydrophobicContact CD2-CZ 3.74Å; Y58-F79 HydrophobicContact CE2-CD2 4.5Å; Y58-F79 AromaticContact CE2-CE2 3.96Å; Y58-F79 HydrophobicContact CE2-CE2 3.96Å; Y58-F79 HydrophobicContact CG-CD2 4.27Å; Y58-F79 HydrophobicContact CG-CE1 4.22Å; Y58-F79 AromaticContact CG-CE2 3.62Å; Y58-F79 HydrophobicContact CG-CE2 3.62Å; Y58-F79 AromaticContact CG-CZ 3.6Å; Y58-F79 HydrophobicContact CG-CZ 3.6Å; Y58-F79 PolarHBondContact N-O 3.49Å; Y58-F79 PolarHBondContact O-N 2.9Å; Y58-E81 HydrophobicContact CE2-CG 3.94Å; Y58-E81 PolarHBondContact OH-OE1 2.91Å; Y58-R230 VanDerWaalsContact CE1-CZ 3.46Å; Y58-R230 VanDerWaalsContact CE1-NE 3.33Å; Y58-W233 AromaticContact CE2-CH2 3.99Å; Y58-W233 HydrophobicContact CE2-CH2 3.99Å; Y58-W233 AromaticContact CE2-CZ2 3.87Å; Y58-W233 HydrophobicContact CE2-CZ2 3.87Å
59	L	98.6	Very high	97.8	Very high	53 Å²	53	54.9 Å²	54.9	28%	0.277	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.7	167	168.3	65	0	0	0	108.6	V49 V50 V61 L76 V77 T78	V49-L59 CarbonylContact C-O 3.56Å; V49-L59 WeakPolarHBondContact CA-O 3.43Å; V50-L59 HydrophobicContact CB-CB 4.32Å; V50-L59 PolarHBondContact N-O 3.25Å; V50-L59 PolarHBondContact O-N 3.47Å; L59-V61 HydrophobicContact CG-CG2 4.47Å; L59-L76 HydrophobicContact CD1-CB 4.49Å; L59-V77 CarbonylContact C-O 3.48Å; L59-V77 WeakPolarHBondContact CA-O 3.38Å; L59-T78 HydrophobicContact CB-CG2 4.4Å; L59-T78 HydrophobicContact CD1-CG2 3.85Å
60	G	98.4	Very high	97.8	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.9	171.1	0	0	0	0	0	111.5	T48 L76 V77	T48-G60 CarbonylContact O-C 3.45Å; T48-G60 WeakPolarHBondContact O-CA 3.25Å; G60-L76 WeakPolarHBondContact O-CA 3.5Å; G60-V77 PolarHBondContact N-O 3.24Å; G60-V77 PolarHBondContact O-N 3.38Å
61	V	98.8	Very high	97.9	Very high	45 Å²	45	53.5 Å²	53.5	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.8	173.1	-174.1	0	0	0	0	108.5	T48 L59 T74	T48-V61 PolarHBondContact N-O 3.41Å; T48-V61 PolarHBondContact O-N 2.6Å; L59-V61 HydrophobicContact CG-CG2 4.47Å; V61-T74 HydrophobicContact CG1-CG2 3.87Å
62	M	98.8	Very high	98	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	80.4	-170.5	-66.3	177.3	66.4	0	0	109.8	R47 T74 K75 V77 G294 M295 A296	R47-M62 HydrophobicContact CB-CG 4.09Å; R47-M62 HydrophobicContact CG-CG 3.77Å; R47-M62 PolarHBondContact NH1-SD 3.27Å; R47-M62 VanDerWaalsContact NH1-SD 3.35Å; M62-T74 WeakPolarHBondContact O-CA 3.24Å; M62-K75 HydrophobicContact CB-CB 4.18Å; M62-K75 PolarHBondContact N-O 2.84Å; M62-K75 PolarHBondContact O-N 3.4Å; M62-K75 WeakPolarHBondContact SD-CE 3.17Å; M62-V77 HydrophobicContact SD-CG1 4.36Å; M62-G294 WeakPolarHBondContact CE-O 3.43Å; M62-M295 VanDerWaalsContact CE-C 3.44Å; M62-A296 HydrophobicContact CB-CB 3.83Å; M62-A296 WeakPolarHBondContact O-CB 3.2Å
63	P	98.9	Very high	98	Very high	41 Å²	41	50.5 Å²	50.5	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144.8	174.9	35.1	-31.4	0	0	0	111.2	P45 T73 T74 A296	P45-P63 HydrophobicContact CG-CG 3.78Å; P63-T73 WeakPolarHBondContact CA-O 3.36Å; P63-T74 HydrophobicContact CB-CG2 4.26Å; P63-T74 WeakPolarHBondContact CB-OG1 3.46Å; P63-A296 WeakPolarHBondContact O-CB 3.34Å
64	A	98.9	Very high	98.2	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.3	168.9	0	0	0	0	0	111.6	M43 Q44 T73 A296 T300	M43-A64 WeakPolarHBondContact O-CA 3.39Å; Q44-A64 HydrophobicContact CB-CB 4.33Å; A64-T73 PolarHBondContact N-O 3.33Å; A64-T73 PolarHBondContact O-N 2.88Å; A64-A296 HydrophobicContact CB-CB 3.58Å; A64-T300 WeakPolarHBondContact CB-OG1 3.32Å
65	Y	98.9	Very high	98.2	Very high	73 Å²	73	37.5 Å²	37.5	29%	0.286	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.5	163.2	174.2	-115.5	0	0	0	108.9	M43 A67 D70 A71 L72 P101	M43-Y65 PolarHBondContact N-O 2.9Å; M43-Y65 PolarHBondContact O-N 2.99Å; Y65-A67 HydrophobicContact CE1-CB 3.95Å; Y65-D70 PolarHBondContact OH-OD1 3.13Å; Y65-A71 WeakPolarHBondContact CA-O 3.38Å; Y65-A71 WeakPolarHBondContact CD2-O 3.43Å; Y65-L72 HydrophobicContact CD2-CB 4.04Å; Y65-P101 HydrophobicContact CE2-CB 3.87Å; Y65-P101 HydrophobicContact CE2-CG 4.19Å
66	S	98.8	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.7	168.5	-172.2	0	0	0	0	109.8	A68 E69 D70 A71	S66-A68 VanDerWaalsContact C-N 3.34Å; S66-E69 WeakPolarHBondContact CB-OE2 3.48Å; S66-E69 PolarHBondContact OG-OE2 3.16Å; S66-D70 VanDerWaalsContact O-CA 3.27Å; S66-D70 WeakPolarHBondContact O-CA 3.49Å; S66-D70 PolarHBondContact O-N 3.3Å; S66-A71 PolarHBondContact N-O 2.82Å; S66-A71 PolarHBondContact O-N 2.63Å
67	A	98.4	Very high	98.4	Very high	50 Å²	50	30.4 Å²	30.4	41%	0.413	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.9	177.9	0	0	0	0	0	112.4	G41 Y65 D70	G41-A67 WeakPolarHBondContact O-CB 3.43Å; G41-A67 PolarHBondContact O-N 3.49Å; Y65-A67 HydrophobicContact CE1-CB 3.95Å; A67-D70 PolarHBondContact O-N 3Å
68	A	97	Very high	98.5	Very high	65 Å²	65	32.4 Å²	32.4	54%	0.537	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-41.3	-179.4	0	0	0	0	0	112.1	S66	S66-A68 VanDerWaalsContact C-N 3.34Å
69	E	96.3	Very high	98.4	Very high	50 Å²	50	32.3 Å²	32.3	23%	0.234	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.5	176.5	-62.8	74	-143.6	0	0	113.3	S66 A71 V301	S66-E69 WeakPolarHBondContact CB-OE2 3.48Å; S66-E69 PolarHBondContact OG-OE2 3.16Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 HydrophobicContact CB-CB 4.15Å; E69-A71 PolarHBondContact O-N 2.81Å; E69-V301 HydrophobicContact CG-CG1 4.27Å
70	D	98.4	Very high	98.3	Very high	79 Å²	79	32.7 Å²	32.7	42%	0.422	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.3	60.6	-167.4	-164.1	31.2	0	0	0	111.9	Y65 S66 A67 P101	Y65-D70 PolarHBondContact OH-OD1 3.13Å; S66-D70 VanDerWaalsContact O-CA 3.27Å; S66-D70 WeakPolarHBondContact O-CA 3.49Å; S66-D70 PolarHBondContact O-N 3.3Å; A67-D70 PolarHBondContact O-N 3Å; D70-P101 VanDerWaalsContact O-CG 3.3Å; D70-P101 WeakPolarHBondContact O-CG 3.36Å
71	A	98.8	Very high	98.1	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.8	-172.3	0	0	0	0	0	111.1	Y65 S66 E69 T300 K304	Y65-A71 WeakPolarHBondContact CA-O 3.38Å; Y65-A71 WeakPolarHBondContact CD2-O 3.43Å; S66-A71 PolarHBondContact N-O 2.82Å; S66-A71 PolarHBondContact O-N 2.63Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 HydrophobicContact CB-CB 4.15Å; E69-A71 PolarHBondContact O-N 2.81Å; A71-T300 HydrophobicContact CB-CG2 3.55Å; A71-T300 WeakPolarHBondContact O-CG2 3.48Å; A71-K304 HydrophobicContact CB-CB 4.04Å; A71-K304 HydrophobicContact CB-CD 3.94Å; A71-K304 HydrophobicContact CB-CG 3.99Å
72	L	98.9	Very high	97.7	Very high	53 Å²	53	34.2 Å²	34.2	28%	0.277	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.9	177.1	175.7	61.6	0	0	0	109.4	Y65 F99 P101	Y65-L72 HydrophobicContact CD2-CB 4.04Å; L72-F99 HydrophobicContact CB-CB 4.24Å; L72-F99 HydrophobicContact CD2-CB 3.85Å; L72-F99 HydrophobicContact CD2-CG 4.44Å; L72-F99 HydrophobicContact CG-CB 3.96Å; L72-F99 HydrophobicContact CG-CD2 4.26Å; L72-F99 HydrophobicContact CG-CG 4.43Å; L72-F99 PolarHBondContact O-N 2.87Å; L72-P101 HydrophobicContact CB-CB 4.46Å; L72-P101 HydrophobicContact CB-CG 4.18Å
73	T	98.9	Very high	97.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	165	-179.4	66.8	0	0	0	0	113.1	P63 A64 L97 L98 T300 A303	P63-T73 WeakPolarHBondContact CA-O 3.36Å; A64-T73 PolarHBondContact N-O 3.33Å; A64-T73 PolarHBondContact O-N 2.88Å; T73-L97 CarbonylContact C-O 3.46Å; T73-L97 WeakPolarHBondContact CA-O 3.25Å; T73-L97 VanDerWaalsContact CB-O 3.3Å; T73-L97 WeakPolarHBondContact CB-O 3.36Å; T73-L98 HydrophobicContact CG2-CB 4.19Å; T73-L98 HydrophobicContact CG2-CD1 4.22Å; T73-L98 HydrophobicContact CG2-CG 4.07Å; T73-T300 HydrophobicContact CG2-CG2 4.11Å; T73-T300 WeakPolarHBondContact OG1-CA 3.34Å; T73-T300 WeakPolarHBondContact OG1-CB 3.32Å; T73-T300 PolarHBondContact OG1-OG1 2.94Å; T73-A303 HydrophobicContact CG2-CB 4.13Å
74	T	98.9	Very high	97	Very high	26 Å²	26	37.6 Å²	37.6	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	120.8	165.8	-62.7	0	0	0	0	109.5	V61 M62 P63 L76 L97	V61-T74 HydrophobicContact CG1-CG2 3.87Å; M62-T74 WeakPolarHBondContact O-CA 3.24Å; P63-T74 HydrophobicContact CB-CG2 4.26Å; P63-T74 WeakPolarHBondContact CB-OG1 3.46Å; T74-L76 HydrophobicContact CG2-CD1 4.22Å; T74-L97 PolarHBondContact N-O 3.08Å; T74-L97 PolarHBondContact O-N 3.03Å
75	K	98.9	Very high	96.4	Very high	3 Å²	3	46 Å²	46	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.9	166.3	-177.1	176.5	70.7	-169.4	0	110.1	M62 A94 T95 V96 D299	M62-K75 HydrophobicContact CB-CB 4.18Å; M62-K75 PolarHBondContact N-O 2.84Å; M62-K75 PolarHBondContact O-N 3.4Å; M62-K75 WeakPolarHBondContact SD-CE 3.17Å; K75-A94 HydrophobicContact CD-CB 4.22Å; K75-A94 HydrophobicContact CG-CB 4.36Å; K75-T95 WeakPolarHBondContact CA-O 3.28Å; K75-V96 HydrophobicContact CB-CG2 4.03Å; K75-V96 HydrophobicContact CD-CG2 4.29Å; K75-V96 HydrophobicContact CG-CG2 3.98Å; K75-D299 HydrophobicContact CB-CB 4.35Å; K75-D299 HydrophobicContact CD-CB 4.43Å; K75-D299 WeakPolarHBondContact CD-OD1 3.15Å; K75-D299 WeakPolarHBondContact CD-OD2 3.44Å; K75-D299 WeakPolarHBondContact CE-OD2 3.4Å; K75-D299 IonicContact NZ-OD1 3.5Å; K75-D299 PolarHBondContact NZ-OD1 2.81Å; K75-D299 IonicContact NZ-OD2 3.13Å; K75-D299 PolarHBondContact NZ-OD2 2.93Å
76	L	98.9	Very high	96.1	Very high	55 Å²	55	47.5 Å²	47.5	29%	0.288	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.2	164.8	-58.8	93.5	0	0	0	107.5	L59 G60 T74 A94 T95 L97	L59-L76 HydrophobicContact CD1-CB 4.49Å; G60-L76 WeakPolarHBondContact O-CA 3.5Å; T74-L76 HydrophobicContact CG2-CD1 4.22Å; L76-A94 CarbonylContact O-C 3.58Å; L76-A94 WeakPolarHBondContact O-CA 3.49Å; L76-T95 HydrophobicContact CB-CG2 4.14Å; L76-T95 HydrophobicContact CD1-CG2 4.14Å; L76-T95 PolarHBondContact N-O 2.78Å; L76-T95 PolarHBondContact O-N 2.65Å; L76-L97 HydrophobicContact CD1-CD1 3.83Å; L76-L97 HydrophobicContact CD1-CG 3.96Å
77	V	98.6	Very high	95.8	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.6	178.9	59.1	0	0	0	0	109.7	L59 G60 M62 Q93 A94	L59-V77 CarbonylContact C-O 3.48Å; L59-V77 WeakPolarHBondContact CA-O 3.38Å; G60-V77 PolarHBondContact N-O 3.24Å; G60-V77 PolarHBondContact O-N 3.38Å; M62-V77 HydrophobicContact SD-CG1 4.36Å; V77-Q93 CarbonylContact C-O 3.57Å; V77-Q93 WeakPolarHBondContact CA-O 3.38Å; V77-A94 HydrophobicContact CB-CB 4.18Å; V77-A94 HydrophobicContact CG2-CB 4.2Å
78	T	98.4	Very high	95.5	Very high	43 Å²	43	49.3 Å²	49.3	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.1	168.2	55.7	0	0	0	0	109.4	Y58 L59 H92 Q93	Y58-T78 WeakPolarHBondContact O-CA 3.29Å; L59-T78 HydrophobicContact CB-CG2 4.4Å; L59-T78 HydrophobicContact CD1-CG2 3.85Å; T78-H92 CarbonylContact O-C 3.17Å; T78-H92 VanDerWaalsContact O-CA 3.26Å; T78-H92 WeakPolarHBondContact O-CA 3.4Å; T78-Q93 PolarHBondContact N-O 3.09Å; T78-Q93 PolarHBondContact O-N 3.05Å; T78-Q93 PolarHBondContact OG1-O 3.44Å
79	F	96.5	Very high	95.2	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.4	173	64.5	-85.9	0	0	0	111.6	G57 Y58 S91 H92 R230 W233	G57-F79 CarbonylContact C-O 3.56Å; G57-F79 WeakPolarHBondContact CA-O 3.42Å; Y58-F79 VanDerWaalsContact CB-CZ 3.42Å; Y58-F79 HydrophobicContact CD1-CZ 4.43Å; Y58-F79 AromaticContact CD2-CD2 3.64Å; Y58-F79 HydrophobicContact CD2-CD2 3.64Å; Y58-F79 AromaticContact CD2-CE2 3.21Å; Y58-F79 HydrophobicContact CD2-CE2 3.21Å; Y58-F79 HydrophobicContact CD2-CG 4.46Å; Y58-F79 AromaticContact CD2-CZ 3.74Å; Y58-F79 HydrophobicContact CD2-CZ 3.74Å; Y58-F79 HydrophobicContact CE2-CD2 4.5Å; Y58-F79 AromaticContact CE2-CE2 3.96Å; Y58-F79 HydrophobicContact CE2-CE2 3.96Å; Y58-F79 HydrophobicContact CG-CD2 4.27Å; Y58-F79 HydrophobicContact CG-CE1 4.22Å; Y58-F79 AromaticContact CG-CE2 3.62Å; Y58-F79 HydrophobicContact CG-CE2 3.62Å; Y58-F79 AromaticContact CG-CZ 3.6Å; Y58-F79 HydrophobicContact CG-CZ 3.6Å; Y58-F79 PolarHBondContact N-O 3.49Å; Y58-F79 PolarHBondContact O-N 2.9Å; F79-S91 VanDerWaalsContact CA-O 3.23Å; F79-S91 WeakPolarHBondContact CA-O 3.41Å; F79-H92 WeakPolarHBondContact CB-CD2 3.14Å; F79-H92 VanDerWaalsContact CB-NE2 3.32Å; F79-H92 WeakPolarHBondContact CB-NE2 3.43Å; F79-H92 AromaticContact CG-NE2 3.8Å; F79-R230 HydrophobicContact CE2-CG 4.12Å; F79-R230 HydrophobicContact CZ-CG 4.36Å; F79-W233 HydrophobicContact CD2-CH2 4.47Å; F79-W233 HydrophobicContact CE2-CH2 4.14Å; F79-W233 HydrophobicContact CE2-CZ3 4.33Å
80	Y	96.6	Very high	94.9	Very high	61 Å²	61	53.3 Å²	53.3	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.2	-174	-72.6	-95.2	0	0	0	110.7	H55 G57 V88 S91	H55-Y80 HydrophobicContact CB-CE1 3.94Å; H55-Y80 WeakPolarHBondContact O-CD1 3.41Å; G57-Y80 VanDerWaalsContact CA-CD1 3.45Å; Y80-V88 HydrophobicContact CD1-CG2 4.49Å; Y80-V88 HydrophobicContact CD2-CG2 3.82Å; Y80-V88 HydrophobicContact CG-CG2 3.64Å; Y80-S91 PolarHBondContact N-O 3.28Å; Y80-S91 VanDerWaalsContact N-O 3.12Å
81	E	93.4	Very high	94.6	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.159	29%	0.292	C	S	.	.			trans	-60.8	147	-177.5	-64.6	177	-176.5	0	0	112.1	R56 Y58 W233	R56-E81 HydrophobicContact CB-CB 4.42Å; R56-E81 HydrophobicContact CB-CG 4.37Å; R56-E81 IonicContact CZ-OE2 2.74Å; R56-E81 IonicContact NE-OE2 2.74Å; R56-E81 PolarHBondContact NE-OE2 3Å; R56-E81 IonicContact NH2-OE2 2.76Å; R56-E81 PolarHBondContact NH2-OE2 2.82Å; R56-E81 PolarHBondContact O-N 3.23Å; R56-E81 VanDerWaalsContact O-N 3.1Å; Y58-E81 HydrophobicContact CE2-CG 3.94Å; Y58-E81 PolarHBondContact OH-OE1 2.91Å; E81-W233 HydrophobicContact CG-CH2 3.91Å; E81-W233 HydrophobicContact CG-CZ2 3.66Å
82	D	90.6	Very high	94.5	Very high	43 Å²	43	54.4 Å²	54.4	23%	0.23	31%	0.306	C	S	.	.			trans	-66	140.2	173.1	177.3	62.4	0	0	0	112	G84 S87 R169 L206	D82-G84 PolarHBondContact OD1-N 2.79Å; D82-G84 PolarHBondContact OD2-N 3.13Å; D82-S87 PolarHBondContact OD1-OG 2.78Å; D82-R169 IonicContact OD1-NH2 3.18Å; D82-R169 PolarHBondContact OD1-NH2 3.28Å; D82-R169 VanDerWaalsContact OD1-NH2 3.13Å; D82-R169 IonicContact OD2-CZ 3.13Å; D82-R169 IonicContact OD2-NH1 2.85Å; D82-R169 PolarHBondContact OD2-NH1 3.01Å; D82-R169 IonicContact OD2-NH2 2.79Å; D82-R169 PolarHBondContact OD2-NH2 3.3Å; D82-L206 HydrophobicContact CB-CB 4Å; D82-L206 HydrophobicContact CB-CD1 4.43Å
83	R	91.8	Very high	94.4	Very high	79 Å²	79	57.1 Å²	57.1	30%	0.298	32%	0.317	S	S	.	.			trans	-140.5	27.5	178.2	-48.5	176.3	-158.8	164.7	8.3	110.6	H55 I85 T86 S87	H55-R83 PolarHBondContact O-NH2 2.75Å; R83-I85 PolarHBondContact O-N 3.48Å; R83-T86 WeakPolarHBondContact CB-OG1 3.13Å; R83-T86 PolarHBondContact O-N 3.1Å; R83-T86 PolarHBondContact O-OG1 3.48Å; R83-S87 PolarHBondContact N-OG 3.36Å
84	G	90.6	Very high	94.4	Very high	37 Å²	37	57.6 Å²	57.6	38%	0.381	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	60.3	-123.3	-174.4	0	0	0	0	0	111.8	D82 T86 S87	D82-G84 PolarHBondContact OD1-N 2.79Å; D82-G84 PolarHBondContact OD2-N 3.13Å; G84-T86 PolarHBondContact O-N 2.89Å; G84-S87 PolarHBondContact N-OG 2.86Å; G84-S87 WeakPolarHBondContact O-CB 3.47Å; G84-S87 PolarHBondContact O-N 3.38Å; G84-S87 PolarHBondContact O-OG 3.43Å
85	I	87.6	Confident	94.4	Very high	180 Å²	180	58.4 Å²	58.4	92%	0.923	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24	-178.7	-57.8	175.8	0	0	0	112	R83 S87	R83-I85 PolarHBondContact O-N 3.48Å; I85-S87 VanDerWaalsContact C-N 3.34Å
86	T	91.4	Very high	94.4	Very high	104 Å²	104	58.2 Å²	58.2	64%	0.638	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-92.4	8.2	-178.5	65.7	0	0	0	0	113.9	R83 G84	R83-T86 WeakPolarHBondContact CB-OG1 3.13Å; R83-T86 PolarHBondContact O-N 3.1Å; R83-T86 PolarHBondContact O-OG1 3.48Å; G84-T86 PolarHBondContact O-N 2.89Å
87	S	92.3	Very high	94.4	Very high	29 Å²	29	57.4 Å²	57.4	20%	0.203	32%	0.32	C	S	.	.			trans	-59.5	143.5	173	-67.4	0	0	0	0	110.9	D82 R83 G84 I85	D82-S87 PolarHBondContact OD1-OG 2.78Å; R83-S87 PolarHBondContact N-OG 3.36Å; G84-S87 PolarHBondContact N-OG 2.86Å; G84-S87 WeakPolarHBondContact O-CB 3.47Å; G84-S87 PolarHBondContact O-N 3.38Å; G84-S87 PolarHBondContact O-OG 3.43Å; I85-S87 VanDerWaalsContact C-N 3.34Å
88	V	93.1	Very high	94.4	Very high	59 Å²	59	57 Å²	57	36%	0.358	32%	0.318	S	S	.	.			trans	-69.7	143.6	170.3	-59.4	0	0	0	0	109.5	Y80 P90 S91	Y80-V88 HydrophobicContact CD1-CG2 4.49Å; Y80-V88 HydrophobicContact CD2-CG2 3.82Å; Y80-V88 HydrophobicContact CG-CG2 3.64Å; V88-P90 CarbonylContact O-C 3.54Å; V88-S91 PolarHBondContact O-N 2.91Å
89	V	89.6	Confident	94.4	Very high	137 Å²	137	57.2 Å²	57.2	83%	0.83	32%	0.315	S	S	*	.	S	Bend	trans	-125.8	125.5	-176.6	-176.8	0	0	0	0	109.2
90	P	91.6	Very high	94.5	Very high	63 Å²	63	58.9 Å²	58.9	41%	0.409	32%	0.323	S	S	.	.	S	Bend	cis	-68.9	155.8	-8.4	30.2	-34.4	0	0	0	112.1	V88 H92 Q93	V88-P90 CarbonylContact O-C 3.54Å; P90-H92 VanDerWaalsContact C-N 3.27Å; P90-H92 PolarHBondContact O-N 2.8Å; P90-Q93 HydrophobicContact CG-CG 3.92Å
91	S	91.4	Very high	94.6	Very high	41 Å²	41	57.9 Å²	57.9	29%	0.287	32%	0.324	S	S	.	.	S	Bend	trans	-68.9	-27.8	180	66	0	0	0	0	112.9	F79 Y80 V88	F79-S91 VanDerWaalsContact CA-O 3.23Å; F79-S91 WeakPolarHBondContact CA-O 3.41Å; Y80-S91 PolarHBondContact N-O 3.28Å; Y80-S91 VanDerWaalsContact N-O 3.12Å; V88-S91 PolarHBondContact O-N 2.91Å
92	H	95.8	Very high	94.9	Very high	63 Å²	63	60.7 Å²	60.7	29%	0.292	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.4	177.8	-67.7	61	0	0	0	110.2	T78 F79 P90 N113	T78-H92 CarbonylContact O-C 3.17Å; T78-H92 VanDerWaalsContact O-CA 3.26Å; T78-H92 WeakPolarHBondContact O-CA 3.4Å; F79-H92 WeakPolarHBondContact CB-CD2 3.14Å; F79-H92 VanDerWaalsContact CB-NE2 3.32Å; F79-H92 WeakPolarHBondContact CB-NE2 3.43Å; F79-H92 AromaticContact CG-NE2 3.8Å; P90-H92 VanDerWaalsContact C-N 3.27Å; P90-H92 PolarHBondContact O-N 2.8Å; H92-N113 PolarHBondContact O-ND2 2.84Å
93	Q	98.4	Very high	95.2	Very high	110 Å²	110	63.5 Å²	63.5	51%	0.514	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137	168.3	-81.3	-179.5	68.5	0	0	109.2	V77 T78 P90	V77-Q93 CarbonylContact C-O 3.57Å; V77-Q93 WeakPolarHBondContact CA-O 3.38Å; T78-Q93 PolarHBondContact N-O 3.09Å; T78-Q93 PolarHBondContact O-N 3.05Å; T78-Q93 PolarHBondContact OG1-O 3.44Å; P90-Q93 HydrophobicContact CG-CG 3.92Å
94	A	98.5	Very high	95.5	Very high	11 Å²	11	62 Å²	62	9%	0.091	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.9	179.8	0	0	0	0	0	112.2	K75 L76 V77 G112 N113	K75-A94 HydrophobicContact CD-CB 4.22Å; K75-A94 HydrophobicContact CG-CB 4.36Å; L76-A94 CarbonylContact O-C 3.58Å; L76-A94 WeakPolarHBondContact O-CA 3.49Å; V77-A94 HydrophobicContact CB-CB 4.18Å; V77-A94 HydrophobicContact CG2-CB 4.2Å; A94-G112 WeakPolarHBondContact O-CA 3.47Å; A94-G112 PolarHBondContact O-N 2.96Å; A94-N113 PolarHBondContact N-OD1 3.43Å
95	T	98.9	Very high	95.8	Very high	42 Å²	42	61.9 Å²	61.9	26%	0.258	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.2	167	-175.2	0	0	0	0	109.2	K75 L76 V109 M110	K75-T95 WeakPolarHBondContact CA-O 3.28Å; L76-T95 HydrophobicContact CB-CG2 4.14Å; L76-T95 HydrophobicContact CD1-CG2 4.14Å; L76-T95 PolarHBondContact N-O 2.78Å; L76-T95 PolarHBondContact O-N 2.65Å; T95-V109 WeakPolarHBondContact OG1-CG1 3.31Å; T95-M110 WeakPolarHBondContact CA-O 3.45Å; T95-M110 PolarHBondContact OG1-O 3.36Å
96	V	98.9	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.1	174.6	-173.4	0	0	0	0	109.2	K75 M110 I115 A303	K75-V96 HydrophobicContact CB-CG2 4.03Å; K75-V96 HydrophobicContact CD-CG2 4.29Å; K75-V96 HydrophobicContact CG-CG2 3.98Å; V96-M110 HydrophobicContact CB-CG 3.7Å; V96-M110 HydrophobicContact CB-SD 4.24Å; V96-M110 HydrophobicContact CG1-CG 4.49Å; V96-M110 PolarHBondContact N-O 3.04Å; V96-M110 WeakPolarHBondContact O-CG 3.18Å; V96-M110 PolarHBondContact O-N 3.1Å; V96-I115 HydrophobicContact CB-CD1 4.34Å; V96-I115 HydrophobicContact CG2-CD1 3.93Å; V96-A303 HydrophobicContact CG1-CB 3.8Å
97	L	98.9	Very high	96.7	Very high	37 Å²	37	51.7 Å²	51.7	19%	0.194	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.9	172.2	-55.7	-176.7	0	0	0	108.3	T73 T74 L76 F99 L106 A108 V109	T73-L97 CarbonylContact C-O 3.46Å; T73-L97 WeakPolarHBondContact CA-O 3.25Å; T73-L97 VanDerWaalsContact CB-O 3.3Å; T73-L97 WeakPolarHBondContact CB-O 3.36Å; T74-L97 PolarHBondContact N-O 3.08Å; T74-L97 PolarHBondContact O-N 3.03Å; L76-L97 HydrophobicContact CD1-CD1 3.83Å; L76-L97 HydrophobicContact CD1-CG 3.96Å; L97-F99 HydrophobicContact CB-CE2 3.59Å; L97-F99 HydrophobicContact CB-CZ 3.81Å; L97-F99 HydrophobicContact CD1-CZ 4.12Å; L97-L106 HydrophobicContact CB-CD1 3.83Å; L97-L106 HydrophobicContact CD2-CD1 4.26Å; L97-L106 HydrophobicContact CG-CD1 4.49Å; L97-A108 WeakPolarHBondContact CA-O 3.21Å; L97-V109 HydrophobicContact CD2-CB 4.04Å; L97-V109 HydrophobicContact CD2-CG1 3.77Å; L97-V109 HydrophobicContact CD2-CG2 3.61Å
98	L	98.9	Very high	97	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.9	176	-173.6	151.1	0	0	0	109.8	T73 L107 A108 M110 A303 Y307	T73-L98 HydrophobicContact CG2-CB 4.19Å; T73-L98 HydrophobicContact CG2-CD1 4.22Å; T73-L98 HydrophobicContact CG2-CG 4.07Å; L98-L107 HydrophobicContact CD2-CB 3.75Å; L98-L107 HydrophobicContact CD2-CD1 3.6Å; L98-L107 HydrophobicContact CD2-CG 4.19Å; L98-L107 PolarHBondContact O-N 3.41Å; L98-A108 HydrophobicContact CB-CB 4.44Å; L98-A108 PolarHBondContact N-O 3.35Å; L98-A108 PolarHBondContact O-N 3.13Å; L98-M110 HydrophobicContact CB-CE 4.11Å; L98-M110 HydrophobicContact CD1-CE 4.27Å; L98-A303 HydrophobicContact CD1-CB 4.27Å; L98-Y307 HydrophobicContact CD1-CG 4.2Å; L98-Y307 HydrophobicContact CD2-CD1 4.22Å; L98-Y307 HydrophobicContact CD2-CE1 4.49Å; L98-Y307 HydrophobicContact CD2-CG 4.27Å
99	F	98.8	Very high	97.3	Very high	48 Å²	48	49 Å²	49	21%	0.211	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.7	-176	-56.6	-95.5	0	0	0	110.6	L72 L97 P101 T105 L106	L72-F99 HydrophobicContact CB-CB 4.24Å; L72-F99 HydrophobicContact CD2-CB 3.85Å; L72-F99 HydrophobicContact CD2-CG 4.44Å; L72-F99 HydrophobicContact CG-CB 3.96Å; L72-F99 HydrophobicContact CG-CD2 4.26Å; L72-F99 HydrophobicContact CG-CG 4.43Å; L72-F99 PolarHBondContact O-N 2.87Å; L97-F99 HydrophobicContact CB-CE2 3.59Å; L97-F99 HydrophobicContact CB-CZ 3.81Å; L97-F99 HydrophobicContact CD1-CZ 4.12Å; F99-P101 VanDerWaalsContact O-CD 3.28Å; F99-P101 WeakPolarHBondContact O-CD 3.34Å; F99-T105 CarbonylContact C-O 3.59Å; F99-T105 WeakPolarHBondContact CA-O 3.4Å; F99-L106 HydrophobicContact CD1-CB 4.16Å; F99-L106 HydrophobicContact CD1-CD1 3.99Å; F99-L106 HydrophobicContact CE1-CB 4.13Å; F99-L106 HydrophobicContact CE1-CD1 3.66Å; F99-L106 HydrophobicContact CE1-CG 4.44Å; F99-L106 HydrophobicContact CE2-CD1 4.34Å; F99-L106 HydrophobicContact CG-CD1 4.46Å; F99-L106 HydrophobicContact CZ-CD1 3.86Å
100	E	98.4	Very high	97.7	Very high	53 Å²	53	42.5 Å²	42.5	25%	0.248	25%	0.25	C	C	.	.			trans	-72.1	112.1	167.2	173.8	51.1	-118.9	0	0	109.3	S102 N103 G104 T105 L107	E100-S102 WeakPolarHBondContact CG-OG 3.27Å; E100-S102 PolarHBondContact O-N 2.71Å; E100-S102 WeakPolarHBondContact OE1-CB 3.42Å; E100-S102 PolarHBondContact OE1-N 2.88Å; E100-S102 PolarHBondContact OE1-OG 2.84Å; E100-N103 VanDerWaalsContact CG-CG 3.43Å; E100-N103 WeakPolarHBondContact CG-ND2 3.44Å; E100-N103 WeakPolarHBondContact CG-OD1 3.31Å; E100-N103 PolarHBondContact O-N 2.83Å; E100-G104 WeakPolarHBondContact O-CA 3.45Å; E100-G104 PolarHBondContact O-N 2.93Å; E100-T105 PolarHBondContact N-O 3.04Å; E100-L107 HydrophobicContact CB-CD1 3.87Å; E100-L107 HydrophobicContact CB-CD2 4.1Å; E100-L107 HydrophobicContact CB-CG 3.91Å
101	P	98.4	Very high	98.1	Very high	40 Å²	40	41 Å²	41	26%	0.26	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.4	-173.8	-22.7	33.1	0	0	0	113.2	Y65 D70 L72 F99 N103	Y65-P101 HydrophobicContact CE2-CB 3.87Å; Y65-P101 HydrophobicContact CE2-CG 4.19Å; D70-P101 VanDerWaalsContact O-CG 3.3Å; D70-P101 WeakPolarHBondContact O-CG 3.36Å; L72-P101 HydrophobicContact CB-CB 4.46Å; L72-P101 HydrophobicContact CB-CG 4.18Å; F99-P101 VanDerWaalsContact O-CD 3.28Å; F99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-N103 VanDerWaalsContact C-N 3.33Å; P101-N103 PolarHBondContact O-N 2.62Å
102	S	98.3	Very high	98.4	Very high	94 Å²	94	39 Å²	39	66%	0.657	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.2	-174.9	64.8	0	0	0	0	114.5	E100	E100-S102 WeakPolarHBondContact CG-OG 3.27Å; E100-S102 PolarHBondContact O-N 2.71Å; E100-S102 WeakPolarHBondContact OE1-CB 3.42Å; E100-S102 PolarHBondContact OE1-N 2.88Å; E100-S102 PolarHBondContact OE1-OG 2.84Å
103	N	97.5	Very high	98.5	Very high	102 Å²	102	38.5 Å²	38.5	55%	0.545	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.6	-1.7	-173.8	63.1	56.1	0	0	0	115.4	E100 P101 T105	E100-N103 VanDerWaalsContact CG-CG 3.43Å; E100-N103 WeakPolarHBondContact CG-ND2 3.44Å; E100-N103 WeakPolarHBondContact CG-OD1 3.31Å; E100-N103 PolarHBondContact O-N 2.83Å; P101-N103 VanDerWaalsContact C-N 3.33Å; P101-N103 PolarHBondContact O-N 2.62Å; N103-T105 VanDerWaalsContact C-N 3.27Å; N103-T105 PolarHBondContact O-N 2.96Å; N103-T105 WeakPolarHBondContact OD1-CB 3.31Å; N103-T105 PolarHBondContact OD1-N 2.78Å; N103-T105 PolarHBondContact OD1-OG1 2.78Å
104	G	97.8	Very high	98.5	Very high	46 Å²	46	34.1 Å²	34.1	47%	0.474	20%	0.204	S	C	.	.			trans	74.8	7.9	176.7	0	0	0	0	0	115.3	E100 L106	E100-G104 WeakPolarHBondContact O-CA 3.45Å; E100-G104 PolarHBondContact O-N 2.93Å; G104-L106 PolarHBondContact O-N 2.86Å
105	T	98.4	Very high	98.5	Very high	36 Å²	36	33.6 Å²	33.6	22%	0.221	20%	0.2	C	C	.	.			trans	-63.3	128.2	176.5	-63.2	0	0	0	0	110	R3 F99 E100 N103 L107	R3-T105 HydrophobicContact CB-CG2 4.32Å; F99-T105 CarbonylContact C-O 3.59Å; F99-T105 WeakPolarHBondContact CA-O 3.4Å; E100-T105 PolarHBondContact N-O 3.04Å; N103-T105 VanDerWaalsContact C-N 3.27Å; N103-T105 PolarHBondContact O-N 2.96Å; N103-T105 WeakPolarHBondContact OD1-CB 3.31Å; N103-T105 PolarHBondContact OD1-N 2.78Å; N103-T105 PolarHBondContact OD1-OG1 2.78Å; T105-L107 HydrophobicContact CG2-CD2 4.43Å; T105-L107 PolarHBondContact O-N 3.18Å; T105-L107 VanDerWaalsContact O-N 3.13Å
106	L	98.6	Very high	98.5	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	110.3	170	-178.8	65.6	0	0	0	109.2	P5 L97 F99 G104 V109	P5-L106 HydrophobicContact CB-CB 4.41Å; P5-L106 HydrophobicContact CB-CD2 3.92Å; P5-L106 HydrophobicContact CB-CG 3.82Å; P5-L106 HydrophobicContact CG-CD2 4.04Å; P5-L106 HydrophobicContact CG-CG 4.46Å; L97-L106 HydrophobicContact CB-CD1 3.83Å; L97-L106 HydrophobicContact CD2-CD1 4.26Å; L97-L106 HydrophobicContact CG-CD1 4.49Å; F99-L106 HydrophobicContact CD1-CB 4.16Å; F99-L106 HydrophobicContact CD1-CD1 3.99Å; F99-L106 HydrophobicContact CE1-CB 4.13Å; F99-L106 HydrophobicContact CE1-CD1 3.66Å; F99-L106 HydrophobicContact CE1-CG 4.44Å; F99-L106 HydrophobicContact CE2-CD1 4.34Å; F99-L106 HydrophobicContact CG-CD1 4.46Å; F99-L106 HydrophobicContact CZ-CD1 3.86Å; G104-L106 PolarHBondContact O-N 2.86Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å
107	L	98.4	Very high	98.5	Very high	20 Å²	20	33 Å²	33	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-42.4	-177.8	-67.7	179.3	0	0	0	111.5	A6 L98 E100 T105 Y307	A6-L107 PolarHBondContact N-O 3.01Å; L98-L107 HydrophobicContact CD2-CB 3.75Å; L98-L107 HydrophobicContact CD2-CD1 3.6Å; L98-L107 HydrophobicContact CD2-CG 4.19Å; L98-L107 PolarHBondContact O-N 3.41Å; E100-L107 HydrophobicContact CB-CD1 3.87Å; E100-L107 HydrophobicContact CB-CD2 4.1Å; E100-L107 HydrophobicContact CB-CG 3.91Å; T105-L107 HydrophobicContact CG2-CD2 4.43Å; T105-L107 PolarHBondContact O-N 3.18Å; T105-L107 VanDerWaalsContact O-N 3.13Å; L107-Y307 HydrophobicContact CB-CE1 4.5Å; L107-Y307 HydrophobicContact CB-CE2 4.12Å; L107-Y307 HydrophobicContact CD1-CE1 4.07Å
108	A	98.7	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.6	-176.7	0	0	0	0	0	113.5	A6 L8 L97 L98 M110 Y307	A6-A108 HydrophobicContact CB-CB 4.29Å; A6-A108 CarbonylContact O-C 3.6Å; A6-A108 WeakPolarHBondContact O-CA 3.34Å; L8-A108 HydrophobicContact CD1-CB 3.99Å; L97-A108 WeakPolarHBondContact CA-O 3.21Å; L98-A108 HydrophobicContact CB-CB 4.44Å; L98-A108 PolarHBondContact N-O 3.35Å; L98-A108 PolarHBondContact O-N 3.13Å; A108-M110 HydrophobicContact CB-CE 4.04Å; A108-Y307 HydrophobicContact CB-CD2 3.75Å; A108-Y307 HydrophobicContact CB-CE2 3.85Å
109	V	98.9	Very high	98.5	Very high	32 Å²	32	32 Å²	32	19%	0.194	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.8	162.8	-176.1	0	0	0	0	106.5	P5 A6 F7 L8 T95 L97 L106	P5-V109 HydrophobicContact CB-CG2 4.45Å; A6-V109 PolarHBondContact O-N 3.43Å; F7-V109 CarbonylContact C-O 2.82Å; F7-V109 WeakPolarHBondContact CA-O 3.34Å; F7-V109 HydrophobicContact CD2-CB 4.18Å; F7-V109 HydrophobicContact CD2-CG1 4.21Å; F7-V109 HydrophobicContact CE2-CG1 4.3Å; L8-V109 PolarHBondContact N-O 3.41Å; T95-V109 WeakPolarHBondContact OG1-CG1 3.31Å; L97-V109 HydrophobicContact CD2-CB 4.04Å; L97-V109 HydrophobicContact CD2-CG1 3.77Å; L97-V109 HydrophobicContact CD2-CG2 3.61Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å
110	M	98.8	Very high	98.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154	-175.7	61.3	-172	70.5	0	0	111.8	L8 V13 T95 V96 L98 A108 G112 I115 A303	L8-M110 HydrophobicContact CB-CB 3.9Å; L8-M110 WeakPolarHBondContact O-CA 3.34Å; V13-M110 HydrophobicContact CG2-CB 4.17Å; T95-M110 WeakPolarHBondContact CA-O 3.45Å; T95-M110 PolarHBondContact OG1-O 3.36Å; V96-M110 HydrophobicContact CB-CG 3.7Å; V96-M110 HydrophobicContact CB-SD 4.24Å; V96-M110 HydrophobicContact CG1-CG 4.49Å; V96-M110 PolarHBondContact N-O 3.04Å; V96-M110 WeakPolarHBondContact O-CG 3.18Å; V96-M110 PolarHBondContact O-N 3.1Å; L98-M110 HydrophobicContact CB-CE 4.11Å; L98-M110 HydrophobicContact CD1-CE 4.27Å; A108-M110 HydrophobicContact CB-CE 4.04Å; M110-G112 PolarHBondContact O-N 3.33Å; M110-I115 HydrophobicContact CG-CD1 3.87Å; M110-I115 HydrophobicContact SD-CD1 3.49Å; M110-I115 WeakPolarHBondContact SD-CD1 3.34Å; M110-A303 HydrophobicContact CE-CB 3.99Å; M110-A303 HydrophobicContact SD-CB 3.49Å; M110-A303 WeakPolarHBondContact SD-CB 3.43Å
111	D	98.7	Very high	98.5	Very high	30 Å²	30	27.4 Å²	27.4	16%	0.16	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	125.1	167.6	178.4	75	0	0	0	110.1	L8 A10 V13 N113 V114 I115	L8-D111 PolarHBondContact O-N 3.41Å; A10-D111 HydrophobicContact CB-CB 3.91Å; V13-D111 HydrophobicContact CG2-CB 4.17Å; D111-N113 WeakPolarHBondContact OD2-CB 3.5Å; D111-N113 PolarHBondContact OD2-N 3.45Å; D111-V114 PolarHBondContact OD2-N 3Å; D111-I115 WeakPolarHBondContact O-CD1 3.34Å
112	G	98.6	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-97.5	-6.2	178.2	0	0	0	0	0	113	A94 M110 T116	A94-G112 WeakPolarHBondContact O-CA 3.47Å; A94-G112 PolarHBondContact O-N 2.96Å; M110-G112 PolarHBondContact O-N 3.33Å; G112-T116 WeakPolarHBondContact O-CB 3.4Å; G112-T116 PolarHBondContact O-N 2.78Å; G112-T116 PolarHBondContact O-OG1 2.82Å
113	N	98.3	Very high	98.5	Very high	52 Å²	52	21 Å²	21	28%	0.278	13%	0.127	S	C	.	.	H	α-helix	trans	-70.3	-50.7	-177.5	-81.1	119.2	0	0	0	111	H92 A94 D111 T116 A117	H92-N113 PolarHBondContact O-ND2 2.84Å; A94-N113 PolarHBondContact N-OD1 3.43Å; D111-N113 WeakPolarHBondContact OD2-CB 3.5Å; D111-N113 PolarHBondContact OD2-N 3.45Å; N113-T116 PolarHBondContact O-N 2.91Å; N113-A117 PolarHBondContact O-N 2.96Å
114	V	98.3	Very high	98.6	Very high	18 Å²	18	16.2 Å²	16.2	11%	0.109	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-46.1	176.2	173.5	0	0	0	0	110.7	A10 V13 E14 D111 T116 A117 K118	A10-V114 HydrophobicContact CB-CG2 4.16Å; V13-V114 HydrophobicContact CB-CB 4.48Å; V13-V114 HydrophobicContact CG1-CB 3.75Å; V13-V114 HydrophobicContact CG1-CG1 3.71Å; E14-V114 HydrophobicContact CG-CG1 3.85Å; E14-V114 HydrophobicContact CG-CG2 3.87Å; E14-V114 WeakPolarHBondContact OE1-CG1 3.38Å; D111-V114 PolarHBondContact OD2-N 3Å; V114-T116 VanDerWaalsContact C-N 3.33Å; V114-T116 PolarHBondContact O-N 3.38Å; V114-A117 PolarHBondContact O-N 3.48Å; V114-K118 HydrophobicContact CG1-CD 4.12Å; V114-K118 PolarHBondContact O-N 2.95Å
115	I	98.6	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.9	-51.2	176.2	-67.2	174.2	0	0	0	110	V13 V96 M110 D111 A117 K118 R119 D299 A302 A303 I306	V13-I115 HydrophobicContact CG1-CG1 3.94Å; V96-I115 HydrophobicContact CB-CD1 4.34Å; V96-I115 HydrophobicContact CG2-CD1 3.93Å; M110-I115 HydrophobicContact CG-CD1 3.87Å; M110-I115 HydrophobicContact SD-CD1 3.49Å; M110-I115 WeakPolarHBondContact SD-CD1 3.34Å; D111-I115 WeakPolarHBondContact O-CD1 3.34Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.47Å; I115-K118 PolarHBondContact O-N 3.31Å; I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.45Å; I115-R119 PolarHBondContact O-N 3.46Å; I115-D299 HydrophobicContact CG2-CB 4.45Å; I115-A302 HydrophobicContact CG2-CB 3.79Å; I115-A303 HydrophobicContact CD1-CB 4.47Å; I115-I306 HydrophobicContact CD1-CD1 3.74Å; I115-I306 HydrophobicContact CG1-CD1 3.58Å
116	T	98.6	Very high	98.7	Very high	17 Å²	17	12.4 Å²	12.4	10%	0.104	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-40.8	-178.2	-66.3	0	0	0	0	112	G112 N113 V114 T120 Q147	G112-T116 WeakPolarHBondContact O-CB 3.4Å; G112-T116 PolarHBondContact O-N 2.78Å; G112-T116 PolarHBondContact O-OG1 2.82Å; N113-T116 PolarHBondContact O-N 2.91Å; V114-T116 VanDerWaalsContact C-N 3.33Å; V114-T116 PolarHBondContact O-N 3.38Å; T116-T120 VanDerWaalsContact O-CB 3.27Å; T116-T120 WeakPolarHBondContact O-CB 3.31Å; T116-T120 PolarHBondContact O-N 3.02Å; T116-T120 PolarHBondContact O-OG1 3.41Å; T116-Q147 PolarHBondContact O-NE2 3.18Å
117	A	98.6	Very high	98.7	Very high	14 Å²	14	10.1 Å²	10.1	12%	0.116	6%	0.057	C	C	.	.	H	α-helix	trans	-62.7	-55.9	177	0	0	0	0	0	111	N113 V114 I115 T120 A121 V146 S150	N113-A117 PolarHBondContact O-N 2.96Å; V114-A117 PolarHBondContact O-N 3.48Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.47Å; A117-T120 PolarHBondContact O-N 3.16Å; A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3.06Å; A117-V146 HydrophobicContact CB-CG1 3.92Å; A117-S150 PolarHBondContact O-OG 3.41Å
118	K	98.7	Very high	98.7	Very high	7 Å²	7	9.1 Å²	9.1	3%	0.03	5%	0.052	C	C	.	.	H	α-helix	trans	-66.6	-43.5	-174.6	-66.9	-175.8	-166.4	-84.1	0	112.9	E14 L17 L23 V114 I115 A122	E14-K118 VanDerWaalsContact OE1-CE 3.25Å; E14-K118 WeakPolarHBondContact OE1-CE 3.3Å; E14-K118 IonicContact OE1-NZ 2.71Å; E14-K118 PolarHBondContact OE1-NZ 3.21Å; E14-K118 WeakPolarHBondContact OE2-CE 3.3Å; E14-K118 IonicContact OE2-NZ 3.53Å; E14-K118 PolarHBondContact OE2-NZ 3.18Å; L17-K118 HydrophobicContact CD2-CB 4.22Å; L17-K118 HydrophobicContact CD2-CD 3.77Å; L17-K118 HydrophobicContact CG-CD 3.81Å; L17-K118 WeakPolarHBondContact O-CD 3.29Å; L17-K118 WeakPolarHBondContact O-CE 3.28Å; L17-K118 PolarHBondContact O-NZ 2.97Å; L23-K118 HydrophobicContact CD1-CB 4.11Å; V114-K118 HydrophobicContact CG1-CD 4.12Å; V114-K118 PolarHBondContact O-N 2.95Å; I115-K118 PolarHBondContact O-N 3.31Å; K118-A122 VanDerWaalsContact O-CB 3.29Å; K118-A122 WeakPolarHBondContact O-CB 3.39Å; K118-A122 PolarHBondContact O-N 3.32Å
119	R	98.6	Very high	98.7	Very high	14 Å²	14	14.4 Å²	14.4	5%	0.053	8%	0.075	C	C	.	.	H	α-helix	trans	-66.5	-39.7	-179.2	71.5	94.6	-175.2	140.8	12.2	112.3	L23 I115 A122 V123 E298 D299	L23-R119 HydrophobicContact CD1-CB 4.2Å; I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.45Å; I115-R119 PolarHBondContact O-N 3.46Å; R119-A122 PolarHBondContact O-N 3.31Å; R119-V123 WeakPolarHBondContact O-CG2 3.46Å; R119-V123 PolarHBondContact O-N 2.78Å; R119-E298 WeakPolarHBondContact CD-OE2 3.35Å; R119-E298 IonicContact CZ-OE2 3.15Å; R119-E298 IonicContact NE-OE2 2.67Å; R119-E298 IonicContact NH1-OE2 2.74Å; R119-E298 PolarHBondContact NH1-OE2 2.85Å; R119-D299 IonicContact NE-OD1 2.84Å; R119-D299 PolarHBondContact NE-OD1 3.23Å; R119-D299 VanDerWaalsContact NE-OD1 3.13Å
120	T	98.8	Very high	98.7	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.025	8%	0.078	C	C	.	.	H	α-helix	trans	-67.1	-43.9	-179.8	-50.7	0	0	0	0	111	T116 A117 V123 S124 V226	T116-T120 VanDerWaalsContact O-CB 3.27Å; T116-T120 WeakPolarHBondContact O-CB 3.31Å; T116-T120 PolarHBondContact O-N 3.02Å; T116-T120 PolarHBondContact O-OG1 3.41Å; A117-T120 PolarHBondContact O-N 3.16Å; T120-V123 PolarHBondContact O-N 2.71Å; T120-S124 PolarHBondContact O-N 2.84Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 3.34Å; T120-V226 HydrophobicContact CG2-CG1 3.47Å; T120-V226 VanDerWaalsContact CG2-CG1 3.47Å
121	A	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-42.7	175.7	0	0	0	0	0	111.9	A117 S124 A125 S150 I154	A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3.06Å; A121-S124 PolarHBondContact O-N 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 2.89Å; A121-S150 VanDerWaalsContact CB-C 3.48Å; A121-S150 WeakPolarHBondContact CB-O 3.44Å; A121-I154 HydrophobicContact CB-CG2 3.76Å
122	A	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-42.4	177.3	0	0	0	0	0	112.9	L23 I24 L27 K118 R119 S124 A125 I126 I154	L23-A122 HydrophobicContact CB-CB 4.18Å; I24-A122 HydrophobicContact CG1-CB 4.37Å; L27-A122 HydrophobicContact CD1-CB 3.49Å; L27-A122 VanDerWaalsContact CD1-CB 3.49Å; K118-A122 VanDerWaalsContact O-CB 3.29Å; K118-A122 WeakPolarHBondContact O-CB 3.39Å; K118-A122 PolarHBondContact O-N 3.32Å; R119-A122 PolarHBondContact O-N 3.31Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 2.86Å; A122-A125 WeakPolarHBondContact O-CB 3.45Å; A122-A125 PolarHBondContact O-N 2.74Å; A122-I126 VanDerWaalsContact O-CG1 3.31Å; A122-I126 WeakPolarHBondContact O-CG1 3.38Å; A122-I126 PolarHBondContact O-N 3.45Å; A122-I154 HydrophobicContact CB-CD1 3.83Å
123	V	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-38.8	174.5	173.8	0	0	0	0	111.7	L27 L31 R119 T120 A125 I126 A127 L272 F290 E298	L27-V123 HydrophobicContact CD1-CG2 4.04Å; L27-V123 HydrophobicContact CD2-CG2 4.14Å; L31-V123 HydrophobicContact CD1-CG1 4.28Å; L31-V123 HydrophobicContact CD1-CG2 4.37Å; R119-V123 WeakPolarHBondContact O-CG2 3.46Å; R119-V123 PolarHBondContact O-N 2.78Å; T120-V123 PolarHBondContact O-N 2.71Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-I126 WeakPolarHBondContact O-CB 3.49Å; V123-I126 PolarHBondContact O-N 2.74Å; V123-A127 PolarHBondContact O-N 3.45Å; V123-L272 HydrophobicContact CG1-CD2 4.09Å; V123-F290 HydrophobicContact CG1-CE1 3.91Å; V123-F290 HydrophobicContact CG1-CZ 3.63Å; V123-E298 HydrophobicContact CG2-CG 3.99Å
124	S	98.9	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-36.7	174.9	-55.4	0	0	0	0	112	T120 A121 A122 A127 T128 H151 N224	T120-S124 PolarHBondContact O-N 2.84Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 3.34Å; A121-S124 PolarHBondContact O-N 3.29Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 2.86Å; S124-A127 PolarHBondContact O-N 2.93Å; S124-T128 VanDerWaalsContact O-CB 3.3Å; S124-T128 WeakPolarHBondContact O-CB 3.48Å; S124-T128 PolarHBondContact O-N 2.65Å; S124-T128 PolarHBondContact O-OG1 2.86Å; S124-H151 VanDerWaalsContact CB-NE2 3.3Å; S124-H151 WeakPolarHBondContact CB-NE2 3.12Å; S124-H151 PolarHBondContact OG-NE2 3.46Å; S124-N224 PolarHBondContact O-OD1 3.43Å; S124-N224 VanDerWaalsContact O-OD1 3.1Å
125	A	98.9	Very high	98.1	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-39.3	173.1	0	0	0	0	0	111.5	A121 A122 V123 T128 K129 I154 F155 F159	A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 2.89Å; A122-A125 WeakPolarHBondContact O-CB 3.45Å; A122-A125 PolarHBondContact O-N 2.74Å; V123-A125 VanDerWaalsContact C-N 3.34Å; A125-T128 PolarHBondContact O-N 3.08Å; A125-K129 WeakPolarHBondContact O-CB 3.44Å; A125-K129 PolarHBondContact O-N 2.98Å; A125-I154 HydrophobicContact CB-CD1 4.05Å; A125-I154 HydrophobicContact CB-CG1 4.18Å; A125-I154 HydrophobicContact CB-CG2 4.16Å; A125-F155 HydrophobicContact CB-CD2 4.46Å; A125-F155 HydrophobicContact CB-CE2 4.12Å; A125-F159 HydrophobicContact CB-CE2 4.25Å; A125-F159 WeakPolarHBondContact O-CZ 3.48Å
126	I	98.9	Very high	98.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-52.6	172.3	-68.3	161.6	0	0	0	110.1	I24 L27 E28 L31 A122 V123 T128 K129 F130 L272 I276	I24-I126 HydrophobicContact CB-CG1 4.49Å; I24-I126 HydrophobicContact CG1-CG1 4.42Å; I24-I126 HydrophobicContact CG2-CD1 4.35Å; I24-I126 HydrophobicContact CG2-CG1 3.89Å; L27-I126 HydrophobicContact CB-CD1 3.63Å; E28-I126 HydrophobicContact CG-CB 4.49Å; E28-I126 HydrophobicContact CG-CD1 3.74Å; E28-I126 HydrophobicContact CG-CG1 3.81Å; E28-I126 HydrophobicContact CG-CG2 3.8Å; L31-I126 HydrophobicContact CD1-CD1 4.17Å; L31-I126 HydrophobicContact CD1-CG2 4.33Å; A122-I126 VanDerWaalsContact O-CG1 3.31Å; A122-I126 WeakPolarHBondContact O-CG1 3.38Å; A122-I126 PolarHBondContact O-N 3.45Å; V123-I126 WeakPolarHBondContact O-CB 3.49Å; V123-I126 PolarHBondContact O-N 2.74Å; I126-T128 VanDerWaalsContact C-N 3.27Å; I126-T128 PolarHBondContact O-N 3.02Å; I126-K129 WeakPolarHBondContact O-CB 3.41Å; I126-K129 PolarHBondContact O-N 3.35Å; I126-K129 VanDerWaalsContact O-N 3.13Å; I126-F130 HydrophobicContact CG2-CD2 4.27Å; I126-F130 HydrophobicContact CG2-CE2 4.28Å; I126-F130 WeakPolarHBondContact O-CD2 3.29Å; I126-F130 PolarHBondContact O-N 2.87Å; I126-L272 HydrophobicContact CG2-CD2 4.2Å; I126-I276 HydrophobicContact CG2-CD1 3.8Å; I126-I276 HydrophobicContact CG2-CG1 4.27Å
127	A	98.9	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-54.2	-47.3	176.9	0	0	0	0	0	111.5	V123 S124 K129 F130 L131 L272 F290	V123-A127 PolarHBondContact O-N 3.45Å; S124-A127 PolarHBondContact O-N 2.93Å; A127-K129 PolarHBondContact O-N 2.97Å; A127-F130 PolarHBondContact O-N 2.92Å; A127-F130 VanDerWaalsContact O-N 3.15Å; A127-L131 HydrophobicContact CB-CD1 4.46Å; A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.35Å; A127-L131 WeakPolarHBondContact O-CG 3.31Å; A127-L131 PolarHBondContact O-N 2.92Å; A127-L272 HydrophobicContact CB-CD1 4.15Å; A127-L272 HydrophobicContact CB-CD2 3.93Å; A127-F290 HydrophobicContact CB-CB 3.95Å; A127-F290 HydrophobicContact CB-CD1 3.3Å; A127-F290 HydrophobicContact CB-CD2 4.16Å; A127-F290 HydrophobicContact CB-CE1 3.77Å; A127-F290 HydrophobicContact CB-CG 3.52Å; A127-F290 HydrophobicContact CB-CZ 4.38Å
128	T	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-41.7	178.4	-60.6	0	0	0	0	112.3	S124 A125 I126 F130 L131 K132 F155 F159 V200 H222 N224	S124-T128 VanDerWaalsContact O-CB 3.3Å; S124-T128 WeakPolarHBondContact O-CB 3.48Å; S124-T128 PolarHBondContact O-N 2.65Å; S124-T128 PolarHBondContact O-OG1 2.86Å; A125-T128 PolarHBondContact O-N 3.08Å; I126-T128 VanDerWaalsContact C-N 3.27Å; I126-T128 PolarHBondContact O-N 3.02Å; T128-F130 PolarHBondContact O-N 3.46Å; T128-L131 PolarHBondContact O-N 3.2Å; T128-K132 HydrophobicContact CG2-CB 3.92Å; T128-K132 HydrophobicContact CG2-CD 4.09Å; T128-K132 HydrophobicContact CG2-CG 4.5Å; T128-K132 WeakPolarHBondContact O-CB 3.47Å; T128-K132 WeakPolarHBondContact O-CG 3.31Å; T128-K132 PolarHBondContact O-N 3.44Å; T128-F155 HydrophobicContact CG2-CD1 4.48Å; T128-F155 HydrophobicContact CG2-CE1 3.77Å; T128-F155 HydrophobicContact CG2-CZ 4.46Å; T128-F155 VanDerWaalsContact OG1-CE1 3.3Å; T128-F155 WeakPolarHBondContact OG1-CE1 3.39Å; T128-F155 VanDerWaalsContact OG1-CZ 3.29Å; T128-F155 WeakPolarHBondContact OG1-CZ 3.41Å; T128-F159 HydrophobicContact CG2-CD2 4.3Å; T128-F159 HydrophobicContact CG2-CE1 4.48Å; T128-F159 HydrophobicContact CG2-CE2 3.72Å; T128-F159 HydrophobicContact CG2-CZ 3.83Å; T128-V200 HydrophobicContact CG2-CG1 4Å; T128-V200 HydrophobicContact CG2-CG2 4.12Å; T128-H222 PolarHBondContact OG1-CD2 2.87Å; T128-N224 PolarHBondContact OG1-ND2 2.53Å; T128-N224 PolarHBondContact OG1-OD1 3.2Å
129	K	98.6	Very high	98.1	Very high	110 Å²	110	25.8 Å²	25.8	48%	0.478	14%	0.138	S	C	.	.	H	α-helix	trans	-56.5	-37	176.6	171.2	-172.7	167.5	-167	0	112.1	E28 A125 I126 A127 F159	E28-K129 IonicContact OE1-NZ 3.65Å; E28-K129 PolarHBondContact OE1-NZ 3.2Å; E28-K129 IonicContact OE2-NZ 3.37Å; A125-K129 WeakPolarHBondContact O-CB 3.44Å; A125-K129 PolarHBondContact O-N 2.98Å; I126-K129 WeakPolarHBondContact O-CB 3.41Å; I126-K129 PolarHBondContact O-N 3.35Å; I126-K129 VanDerWaalsContact O-N 3.13Å; A127-K129 PolarHBondContact O-N 2.97Å; K129-F159 HydrophobicContact CB-CE1 4.29Å; K129-F159 HydrophobicContact CB-CZ 4.23Å
130	F	98.8	Very high	98.1	Very high	60 Å²	60	25.1 Å²	25.1	26%	0.263	14%	0.135	S	C	.	.	H	α-helix	trans	-88.1	-33.2	179.3	-77.4	-89.2	0	0	0	113.7	I126 A127 T128 V275 I276 A282	I126-F130 HydrophobicContact CG2-CD2 4.27Å; I126-F130 HydrophobicContact CG2-CE2 4.28Å; I126-F130 WeakPolarHBondContact O-CD2 3.29Å; I126-F130 PolarHBondContact O-N 2.87Å; A127-F130 PolarHBondContact O-N 2.92Å; A127-F130 VanDerWaalsContact O-N 3.15Å; T128-F130 PolarHBondContact O-N 3.46Å; F130-V275 HydrophobicContact CB-CG1 4.22Å; F130-V275 HydrophobicContact CD1-CG1 3.98Å; F130-V275 HydrophobicContact CG-CG1 4.29Å; F130-I276 HydrophobicContact CD2-CG1 4.4Å; F130-I276 HydrophobicContact CE2-CG1 3.91Å; F130-I276 HydrophobicContact CZ-CG1 4.17Å; F130-A282 WeakPolarHBondContact O-CB 3.39Å
131	L	98.9	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-111.4	-13	-164.2	-61.5	175.1	0	0	0	114.8	A127 T128 H222 Y247 A282 C284 F290	A127-L131 HydrophobicContact CB-CD1 4.46Å; A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.35Å; A127-L131 WeakPolarHBondContact O-CG 3.31Å; A127-L131 PolarHBondContact O-N 2.92Å; T128-L131 PolarHBondContact O-N 3.2Å; L131-H222 WeakPolarHBondContact CB-ND1 3.19Å; L131-Y247 HydrophobicContact CD1-CD1 4.35Å; L131-Y247 HydrophobicContact CD1-CD2 3.65Å; L131-Y247 HydrophobicContact CD1-CE2 4.18Å; L131-Y247 HydrophobicContact CD1-CG 3.76Å; L131-Y247 HydrophobicContact CD2-CD1 4.3Å; L131-Y247 HydrophobicContact CD2-CD2 3.94Å; L131-Y247 HydrophobicContact CD2-CE1 3.97Å; L131-Y247 HydrophobicContact CD2-CE2 3.59Å; L131-Y247 HydrophobicContact CD2-CG 4.29Å; L131-Y247 HydrophobicContact CG-CD2 4.46Å; L131-A282 HydrophobicContact CD2-CB 4.03Å; L131-C284 WeakPolarHBondContact O-CA 3.21Å; L131-C284 WeakPolarHBondContact O-CB 3.36Å; L131-F290 HydrophobicContact CD1-CB 4.37Å
132	K	98.6	Very high	98.1	Very high	57 Å²	57	24.9 Å²	24.9	25%	0.248	13%	0.134	C	C	.	.	S	Bend	trans	-63.4	147.6	178.3	75.9	-176.4	-172.9	64.5	0	111.5	T128 S136 F159 V200 C284	T128-K132 HydrophobicContact CG2-CB 3.92Å; T128-K132 HydrophobicContact CG2-CD 4.09Å; T128-K132 HydrophobicContact CG2-CG 4.5Å; T128-K132 WeakPolarHBondContact O-CB 3.47Å; T128-K132 WeakPolarHBondContact O-CG 3.31Å; T128-K132 PolarHBondContact O-N 3.44Å; K132-S136 WeakPolarHBondContact CB-OG 3.35Å; K132-S136 WeakPolarHBondContact CG-OG 3.41Å; K132-F159 HydrophobicContact CD-CD1 4.38Å; K132-F159 HydrophobicContact CD-CE1 4.39Å; K132-V200 HydrophobicContact CB-CG2 3.91Å; K132-C284 WeakPolarHBondContact O-CB 3.31Å
133	P	97.8	Very high	98.1	Very high	12 Å²	12	25 Å²	25	8%	0.078	14%	0.135	C	C	.	.			trans	-59.7	156.3	176.3	22.9	-32.4	0	0	0	112.4	S135 S136 D199 G220 C284	P133-S135 PolarHBondContact O-N 3.13Å; P133-S135 VanDerWaalsContact O-N 3.15Å; P133-S136 PolarHBondContact O-OG 3.3Å; P133-D199 WeakPolarHBondContact CD-O 3.18Å; P133-D199 HydrophobicContact CG-CB 3.93Å; P133-G220 WeakPolarHBondContact CB-O 3.29Å; P133-G220 WeakPolarHBondContact CG-O 3.29Å; P133-C284 WeakPolarHBondContact CA-O 3.49Å
134	P	91.4	Very high	98.1	Very high	104 Å²	104	25.6 Å²	25.6	68%	0.675	14%	0.14	S	C	*	.	S	Bend	trans	-59.3	-31.6	-175.4	20.5	-32.1	0	0	0	113.5
135	S	93.1	Very high	98	Very high	71 Å²	71	27.3 Å²	27.3	50%	0.497	16%	0.158	S	C	.	.	S	Bend	trans	-115.6	76.9	175.8	-174.3	0	0	0	0	110.2	P133	P133-S135 PolarHBondContact O-N 3.13Å; P133-S135 VanDerWaalsContact O-N 3.15Å
136	S	97.3	Very high	98	Very high	17 Å²	17	32 Å²	32	12%	0.119	19%	0.186	C	C	.	.			trans	-91	113.7	174.8	-38.4	0	0	0	0	110.9	K132 P133	K132-S136 WeakPolarHBondContact CB-OG 3.35Å; K132-S136 WeakPolarHBondContact CG-OG 3.41Å; P133-S136 PolarHBondContact O-OG 3.3Å
137	E	98.4	Very high	97.9	Very high	72 Å²	72	33.7 Å²	33.7	34%	0.336	19%	0.194	S	C	.	.			trans	-120.6	-26	-178.3	-57.7	-168.3	161.4	0	0	112.6	F161 K162 E163 D199	E137-F161 CarbonylContact O-C 3.51Å; E137-F161 WeakPolarHBondContact O-CA 3.14Å; E137-K162 HydrophobicContact CB-CB 4.37Å; E137-K162 HydrophobicContact CB-CD 4.16Å; E137-K162 HydrophobicContact CB-CG 4.17Å; E137-K162 HydrophobicContact CG-CD 4.25Å; E137-K162 PolarHBondContact O-N 3.4Å; E137-K162 VanDerWaalsContact OE1-CE 3.23Å; E137-K162 WeakPolarHBondContact OE1-CE 3.49Å; E137-K162 IonicContact OE1-NZ 2.77Å; E137-K162 PolarHBondContact OE1-NZ 3.35Å; E137-K162 WeakPolarHBondContact OE2-CD 3.28Å; E137-K162 VanDerWaalsContact OE2-CE 3.32Å; E137-K162 WeakPolarHBondContact OE2-CE 3.41Å; E137-K162 IonicContact OE2-NZ 3.32Å; E137-K162 PolarHBondContact OE2-NZ 2.98Å; E137-E163 PolarHBondContact O-N 2.85Å; E137-D199 PolarHBondContact N-OD2 3.23Å
138	V	98.9	Very high	97.9	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.1	-176.6	-177.2	0	0	0	0	111.2	E163 A198 D199 V200	V138-E163 WeakPolarHBondContact CA-O 3.41Å; V138-E163 HydrophobicContact CG1-CB 4.46Å; V138-E163 HydrophobicContact CG2-CB 4.3Å; V138-A198 HydrophobicContact CG1-CB 4.24Å; V138-D199 PolarHBondContact N-OD2 3.39Å; V138-D199 PolarHBondContact O-N 3.35Å; V138-V200 PolarHBondContact O-N 3.2Å
139	L	98.9	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.7	170.7	173.6	62.8	0	0	0	110.2	I141 F155 F161 E163 V164 R165 V200 I202	L139-I141 HydrophobicContact CD2-CD1 4.44Å; L139-I141 HydrophobicContact CD2-CG1 4.49Å; L139-I141 HydrophobicContact CG-CG1 4.33Å; L139-F155 HydrophobicContact CD1-CD1 4.07Å; L139-F155 HydrophobicContact CD2-CB 4Å; L139-F155 HydrophobicContact CD2-CD1 4.32Å; L139-F155 HydrophobicContact CD2-CG 4.49Å; L139-F161 HydrophobicContact CB-CB 4.33Å; L139-F161 HydrophobicContact CB-CD1 3.81Å; L139-F161 HydrophobicContact CB-CD2 3.75Å; L139-F161 HydrophobicContact CB-CE1 3.99Å; L139-F161 HydrophobicContact CB-CE2 3.92Å; L139-F161 HydrophobicContact CB-CG 3.68Å; L139-F161 HydrophobicContact CB-CZ 4.04Å; L139-F161 HydrophobicContact CD1-CE2 4.43Å; L139-F161 HydrophobicContact CD1-CZ 4.34Å; L139-F161 HydrophobicContact CD2-CD2 3.97Å; L139-F161 HydrophobicContact CD2-CE2 3.88Å; L139-F161 HydrophobicContact CG-CD2 4.43Å; L139-F161 HydrophobicContact CG-CE2 4.29Å; L139-E163 PolarHBondContact N-O 3.47Å; L139-V164 HydrophobicContact CB-CG1 4.39Å; L139-V164 HydrophobicContact CB-CG2 4.32Å; L139-V164 HydrophobicContact CD2-CG1 4.01Å; L139-V164 HydrophobicContact CD2-CG2 4.32Å; L139-V164 HydrophobicContact CG-CG1 4.21Å; L139-V164 CarbonylContact O-C 3.54Å; L139-V164 WeakPolarHBondContact O-CA 3.24Å; L139-R165 PolarHBondContact O-N 2.97Å; L139-V200 CarbonylContact C-O 3.52Å; L139-V200 WeakPolarHBondContact CA-O 3.45Å; L139-V200 HydrophobicContact CD1-CB 4.06Å; L139-V200 HydrophobicContact CD1-CG1 3.88Å; L139-I202 HydrophobicContact CD1-CD1 3.82Å; L139-I202 HydrophobicContact CD1-CG1 4.08Å
140	C	98.9	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	171.5	178.3	0	0	0	0	111	R165 A194 A198 V200 I201 I202	C140-R165 CarbonylContact C-O 3.6Å; C140-R165 WeakPolarHBondContact CA-O 3.33Å; C140-A194 VanDerWaalsContact SG-CB 3.53Å; C140-A194 PolarHBondContact SG-O 2.87Å; C140-A194 VanDerWaalsContact SG-O 3.36Å; C140-A198 HydrophobicContact CB-CB 3.72Å; C140-V200 PolarHBondContact N-O 2.94Å; C140-I201 HydrophobicContact CB-CG1 4.22Å; C140-I201 HydrophobicContact CB-CG2 4.49Å; C140-I201 CarbonylContact O-C 3.59Å; C140-I201 VanDerWaalsContact O-CA 3.32Å; C140-I201 WeakPolarHBondContact O-CA 3.27Å; C140-I202 PolarHBondContact O-N 3.35Å
141	I	98.9	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	174.6	-54.2	179.3	0	0	0	109.3	L139 G143 A148 Y152 R165 I166 W167 F177 I202 V204	L139-I141 HydrophobicContact CD2-CD1 4.44Å; L139-I141 HydrophobicContact CD2-CG1 4.49Å; L139-I141 HydrophobicContact CG-CG1 4.33Å; I141-G143 WeakPolarHBondContact CG2-O 3.44Å; I141-A148 HydrophobicContact CG2-CB 3.96Å; I141-Y152 HydrophobicContact CD1-CD2 4.14Å; I141-R165 PolarHBondContact N-O 3.05Å; I141-I166 HydrophobicContact CB-CG1 4.38Å; I141-I166 CarbonylContact O-C 3.57Å; I141-I166 VanDerWaalsContact O-CA 3.31Å; I141-I166 WeakPolarHBondContact O-CA 3.5Å; I141-W167 PolarHBondContact O-N 3.08Å; I141-F177 HydrophobicContact CD1-CZ 4.38Å; I141-I202 HydrophobicContact CG1-CD1 4.39Å; I141-V204 HydrophobicContact CG2-CG2 4.11Å
142	L	98.9	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.6	173	-53.1	-173.7	0	0	0	109	W167 V191 A194 V195 I201 I202 T203 V204 T205 I211 L212	L142-W167 HydrophobicContact CB-CE3 4.35Å; L142-W167 HydrophobicContact CD2-CB 3.9Å; L142-W167 HydrophobicContact CD2-CE3 4.22Å; L142-V191 HydrophobicContact CD1-CG1 3.57Å; L142-V191 HydrophobicContact CD1-CG2 4.47Å; L142-V191 HydrophobicContact CD2-CG1 4.03Å; L142-V191 HydrophobicContact CD2-CG2 4.4Å; L142-V191 HydrophobicContact CG-CG1 4.49Å; L142-A194 HydrophobicContact CD2-CB 4.09Å; L142-V195 HydrophobicContact CD1-CG1 4.29Å; L142-V195 HydrophobicContact CD2-CG1 4.29Å; L142-I201 HydrophobicContact CD1-CG2 4.39Å; L142-I201 HydrophobicContact CG-CG2 4.38Å; L142-I202 PolarHBondContact N-O 3.26Å; L142-T203 HydrophobicContact CB-CG2 4.47Å; L142-T203 HydrophobicContact CD1-CG2 4.04Å; L142-V204 WeakPolarHBondContact O-CG2 3.43Å; L142-V204 PolarHBondContact O-N 3.35Å; L142-T205 VanDerWaalsContact O-CG2 3.24Å; L142-T205 WeakPolarHBondContact O-CG2 3.41Å; L142-I211 HydrophobicContact CB-CD1 4.4Å; L142-I211 HydrophobicContact CD1-CD1 4.47Å; L142-L212 HydrophobicContact CD1-CB 4.17Å; L142-L212 HydrophobicContact CD1-CD1 4.4Å; L142-L212 HydrophobicContact CD1-CD2 4.39Å
143	G	98.7	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	19%	0.187	C	C	.	.			trans	115.3	150.2	-172.8	0	0	0	0	0	112.4	I141 A148 W167	I141-G143 WeakPolarHBondContact CG2-O 3.44Å; G143-A148 VanDerWaalsContact O-CB 3.24Å; G143-A148 WeakPolarHBondContact O-CB 3.34Å; G143-W167 PolarHBondContact N-O 3.01Å
144	A	98.5	Very high	98	Very high	13 Å²	13	31.3 Å²	31.3	11%	0.107	18%	0.183	C	C	.	.			trans	-129.4	30.4	-178.8	0	0	0	0	0	112.8	I166 N168 N173 F177	A144-I166 HydrophobicContact CB-CD1 3.99Å; A144-N168 HydrophobicContact CB-CB 3.86Å; A144-N168 PolarHBondContact N-OD1 3.2Å; A144-N168 VanDerWaalsContact N-OD1 3.13Å; A144-N173 HydrophobicContact CB-CB 4.3Å; A144-F177 HydrophobicContact CB-CB 4.22Å
145	G	97.5	Very high	98.3	Very high	37 Å²	37	26.4 Å²	26.4	38%	0.381	15%	0.151	S	C	.	.	S	Bend	trans	-90.8	-167.9	179.6	0	0	0	0	0	113.6	Q147 A148 Y149	G145-Q147 VanDerWaalsContact C-N 3.27Å; G145-Q147 PolarHBondContact O-N 3.46Å; G145-A148 VanDerWaalsContact O-CB 3.32Å; G145-A148 WeakPolarHBondContact O-CB 3.31Å; G145-A148 PolarHBondContact O-N 2.79Å; G145-Y149 VanDerWaalsContact O-CD2 3.29Å; G145-Y149 WeakPolarHBondContact O-CD2 3.16Å; G145-Y149 PolarHBondContact O-N 3.26Å
146	V	98.1	Very high	98.6	Very high	99 Å²	99	25.8 Å²	25.8	60%	0.6	14%	0.144	S	C	*	.	H	α-helix	trans	-50.4	-46	179.3	173.6	0	0	0	0	112.3	A117 A148 Y149 S150	A117-V146 HydrophobicContact CB-CG1 3.92Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.82Å; V146-Y149 PolarHBondContact O-N 2.91Å; V146-S150 PolarHBondContact O-N 3.22Å; V146-S150 PolarHBondContact O-OG 3.44Å
147	Q	98.6	Very high	98.6	Very high	38 Å²	38	30 Å²	30	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-34.5	-180	-67.7	-64.7	-21.5	0	0	112.2	T116 G145 Y149 S150 H151 V204	T116-Q147 PolarHBondContact O-NE2 3.18Å; G145-Q147 VanDerWaalsContact C-N 3.27Å; G145-Q147 PolarHBondContact O-N 3.46Å; Q147-Y149 VanDerWaalsContact C-N 3.29Å; Q147-Y149 PolarHBondContact O-N 3.27Å; Q147-S150 WeakPolarHBondContact CA-OG 3.38Å; Q147-S150 PolarHBondContact O-N 2.86Å; Q147-S150 PolarHBondContact O-OG 2.87Å; Q147-S150 VanDerWaalsContact O-OG 3.11Å; Q147-H151 VanDerWaalsContact O-CB 3.28Å; Q147-H151 WeakPolarHBondContact O-CB 3.15Å; Q147-H151 PolarHBondContact O-N 2.9Å; Q147-H151 PolarHBondContact O-ND1 2.62Å; Q147-H151 PolarHBondContact OE1-CE1 3.48Å; Q147-V204 HydrophobicContact CB-CB 3.8Å; Q147-V204 HydrophobicContact CB-CG1 3.63Å
148	A	98.8	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-40.7	175.7	0	0	0	0	0	111.7	I141 G143 G145 V146 Y152 F177 V204	I141-A148 HydrophobicContact CG2-CB 3.96Å; G143-A148 VanDerWaalsContact O-CB 3.24Å; G143-A148 WeakPolarHBondContact O-CB 3.34Å; G145-A148 VanDerWaalsContact O-CB 3.32Å; G145-A148 WeakPolarHBondContact O-CB 3.31Å; G145-A148 PolarHBondContact O-N 2.79Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.82Å; A148-Y152 VanDerWaalsContact O-CB 3.25Å; A148-Y152 WeakPolarHBondContact O-CB 3.39Å; A148-Y152 PolarHBondContact O-N 2.85Å; A148-F177 HydrophobicContact CB-CD2 4.31Å; A148-F177 HydrophobicContact CB-CE2 3.84Å; A148-V204 HydrophobicContact CB-CG2 3.97Å
149	Y	98.8	Very high	98.5	Very high	81 Å²	81	31.2 Å²	31.2	32%	0.318	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-48.6	178.1	-73.1	-80.6	0	0	0	112.1	G145 V146 Q147 H151 Y152 E153 F177 T180 V181	G145-Y149 VanDerWaalsContact O-CD2 3.29Å; G145-Y149 WeakPolarHBondContact O-CD2 3.16Å; G145-Y149 PolarHBondContact O-N 3.26Å; V146-Y149 PolarHBondContact O-N 2.91Å; Q147-Y149 VanDerWaalsContact C-N 3.29Å; Q147-Y149 PolarHBondContact O-N 3.27Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 2.84Å; Y149-Y152 PolarHBondContact O-N 3.36Å; Y149-E153 WeakPolarHBondContact O-CB 3.4Å; Y149-E153 PolarHBondContact O-N 3.01Å; Y149-F177 AromaticContact CD1-CD2 3.79Å; Y149-F177 HydrophobicContact CD1-CD2 3.79Å; Y149-F177 AromaticContact CD1-CE2 3.7Å; Y149-F177 HydrophobicContact CD1-CE2 3.7Å; Y149-F177 HydrophobicContact CD2-CD2 4.07Å; Y149-F177 HydrophobicContact CD2-CE2 4.22Å; Y149-F177 AromaticContact CE1-CD2 3.51Å; Y149-F177 HydrophobicContact CE1-CD2 3.51Å; Y149-F177 AromaticContact CE1-CE2 3.92Å; Y149-F177 HydrophobicContact CE1-CE2 3.92Å; Y149-F177 HydrophobicContact CE1-CG 4.25Å; Y149-F177 AromaticContact CE2-CD2 3.79Å; Y149-F177 HydrophobicContact CE2-CD2 3.79Å; Y149-F177 HydrophobicContact CE2-CE2 4.4Å; Y149-F177 HydrophobicContact CG-CD2 4.06Å; Y149-F177 AromaticContact CG-CE2 3.87Å; Y149-F177 HydrophobicContact CG-CE2 3.87Å; Y149-F177 AromaticContact CZ-CD2 3.51Å; Y149-F177 WeakPolarHBondContact OH-CA 3.26Å; Y149-T180 HydrophobicContact CE1-CG2 4.05Å; Y149-V181 HydrophobicContact CD1-CG1 3.82Å; Y149-V181 HydrophobicContact CE1-CG1 3.88Å
150	S	98.8	Very high	98.4	Very high	8 Å²	8	37 Å²	37	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-38.1	179.7	50.4	0	0	0	0	112.4	A117 A121 V146 Q147 I154	A117-S150 PolarHBondContact O-OG 3.41Å; A121-S150 VanDerWaalsContact CB-C 3.48Å; A121-S150 WeakPolarHBondContact CB-O 3.44Å; V146-S150 PolarHBondContact O-N 3.22Å; V146-S150 PolarHBondContact O-OG 3.44Å; Q147-S150 WeakPolarHBondContact CA-OG 3.38Å; Q147-S150 PolarHBondContact O-N 2.86Å; Q147-S150 PolarHBondContact O-OG 2.87Å; Q147-S150 VanDerWaalsContact O-OG 3.11Å; S150-I154 WeakPolarHBondContact O-CG2 3.17Å; S150-I154 PolarHBondContact O-N 3.48Å
151	H	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-44.9	174.5	-76.8	66.8	0	0	0	111.3	S124 Q147 Y149 E153 I154 F155 I202	S124-H151 VanDerWaalsContact CB-NE2 3.3Å; S124-H151 WeakPolarHBondContact CB-NE2 3.12Å; S124-H151 PolarHBondContact OG-NE2 3.46Å; Q147-H151 VanDerWaalsContact O-CB 3.28Å; Q147-H151 WeakPolarHBondContact O-CB 3.15Å; Q147-H151 PolarHBondContact O-N 2.9Å; Q147-H151 PolarHBondContact O-ND1 2.62Å; Q147-H151 PolarHBondContact OE1-CE1 3.48Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 2.84Å; H151-E153 PolarHBondContact O-N 3.48Å; H151-I154 PolarHBondContact O-N 2.86Å; H151-F155 HydrophobicContact CB-CD2 4.36Å; H151-F155 HydrophobicContact CB-CE2 4.48Å; H151-F155 AromaticContact CD2-CE2 3.89Å; H151-F155 WeakPolarHBondContact O-CB 3.3Å; H151-F155 WeakPolarHBondContact O-CD2 3.31Å; H151-F155 WeakPolarHBondContact O-CG 3.43Å; H151-F155 PolarHBondContact O-N 2.83Å; H151-I202 HydrophobicContact CB-CD1 3.93Å; H151-I202 HydrophobicContact CB-CG2 4.34Å
152	Y	98.9	Very high	98.4	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.6	178.8	-87.3	0	0	0	112.7	I141 A148 Y149 I154 F155 T156 V164 F177 V181 Q182 V185	I141-Y152 HydrophobicContact CD1-CD2 4.14Å; A148-Y152 VanDerWaalsContact O-CB 3.25Å; A148-Y152 WeakPolarHBondContact O-CB 3.39Å; A148-Y152 PolarHBondContact O-N 2.85Å; Y149-Y152 PolarHBondContact O-N 3.36Å; Y152-I154 PolarHBondContact O-N 2.74Å; Y152-F155 PolarHBondContact O-N 3.49Å; Y152-T156 HydrophobicContact CD1-CG2 4.33Å; Y152-T156 HydrophobicContact CD2-CG2 4.1Å; Y152-T156 HydrophobicContact CE1-CG2 3.98Å; Y152-T156 HydrophobicContact CE2-CG2 3.78Å; Y152-T156 HydrophobicContact CG-CG2 4.38Å; Y152-T156 WeakPolarHBondContact O-CB 3.42Å; Y152-T156 WeakPolarHBondContact O-CG2 3.35Å; Y152-T156 PolarHBondContact O-N 3.46Å; Y152-T156 PolarHBondContact O-OG1 2.88Å; Y152-V164 HydrophobicContact CD2-CG1 4.05Å; Y152-V164 HydrophobicContact CE2-CB 4.38Å; Y152-V164 HydrophobicContact CE2-CG1 3.88Å; Y152-V164 HydrophobicContact CE2-CG2 4.41Å; Y152-F177 HydrophobicContact CD2-CE1 4.11Å; Y152-F177 HydrophobicContact CD2-CZ 4.01Å; Y152-F177 HydrophobicContact CG-CE1 4.34Å; Y152-F177 AromaticContact CG-CZ 3.85Å; Y152-F177 HydrophobicContact CG-CZ 3.85Å; Y152-V181 HydrophobicContact CD1-CB 3.82Å; Y152-V181 HydrophobicContact CD1-CG1 3.86Å; Y152-V181 HydrophobicContact CD1-CG2 4.3Å; Y152-V181 HydrophobicContact CE1-CB 3.47Å; Y152-V181 VanDerWaalsContact CE1-CB 3.47Å; Y152-V181 HydrophobicContact CE1-CG1 4.06Å; Y152-V181 HydrophobicContact CE1-CG2 3.75Å; Y152-V181 HydrophobicContact CE2-CG2 4.13Å; Y152-V181 HydrophobicContact CG-CG1 4.37Å; Y152-Q182 PolarHBondContact OH-O 3.22Å; Y152-V185 HydrophobicContact CD2-CG2 4.42Å; Y152-V185 HydrophobicContact CE2-CG2 3.52Å
153	E	98.6	Very high	98.4	Very high	88 Å²	88	48.4 Å²	48.4	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-54	-56.6	178.3	179.5	-178.1	-115.1	0	0	110.9	Y149 H151 T156 E157	Y149-E153 WeakPolarHBondContact O-CB 3.4Å; Y149-E153 PolarHBondContact O-N 3.01Å; H151-E153 PolarHBondContact O-N 3.48Å; E153-T156 PolarHBondContact O-OG1 3.06Å; E153-E157 WeakPolarHBondContact O-CB 3.39Å; E153-E157 PolarHBondContact O-N 2.98Å; E153-E157 VanDerWaalsContact O-N 3.14Å
154	I	98.6	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-73.2	-33.5	-176.8	-164.4	166.8	0	0	0	112.7	S20 I24 A121 A122 A125 S150 H151 Y152 E157 Q158	S20-I154 WeakPolarHBondContact OG-CB 3.16Å; S20-I154 WeakPolarHBondContact OG-CD1 3.38Å; I24-I154 HydrophobicContact CD1-CD1 4Å; I24-I154 HydrophobicContact CG1-CD1 4.22Å; A121-I154 HydrophobicContact CB-CG2 3.76Å; A122-I154 HydrophobicContact CB-CD1 3.83Å; A125-I154 HydrophobicContact CB-CD1 4.05Å; A125-I154 HydrophobicContact CB-CG1 4.18Å; A125-I154 HydrophobicContact CB-CG2 4.16Å; S150-I154 WeakPolarHBondContact O-CG2 3.17Å; S150-I154 PolarHBondContact O-N 3.48Å; H151-I154 PolarHBondContact O-N 2.86Å; Y152-I154 PolarHBondContact O-N 2.74Å; I154-E157 PolarHBondContact O-N 3.42Å; I154-Q158 HydrophobicContact CG1-CG 3.79Å; I154-Q158 VanDerWaalsContact O-CB 3.24Å; I154-Q158 WeakPolarHBondContact O-CB 3.31Å; I154-Q158 VanDerWaalsContact O-CG 3.24Å; I154-Q158 WeakPolarHBondContact O-CG 3.48Å; I154-Q158 PolarHBondContact O-N 3.5Å
155	F	98.8	Very high	98.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-35.7	-178.5	-85	-117.8	0	0	0	111.8	A125 T128 L139 H151 Y152 F159 F161 V200 I202	A125-F155 HydrophobicContact CB-CD2 4.46Å; A125-F155 HydrophobicContact CB-CE2 4.12Å; T128-F155 HydrophobicContact CG2-CD1 4.48Å; T128-F155 HydrophobicContact CG2-CE1 3.77Å; T128-F155 HydrophobicContact CG2-CZ 4.46Å; T128-F155 VanDerWaalsContact OG1-CE1 3.3Å; T128-F155 WeakPolarHBondContact OG1-CE1 3.39Å; T128-F155 VanDerWaalsContact OG1-CZ 3.29Å; T128-F155 WeakPolarHBondContact OG1-CZ 3.41Å; L139-F155 HydrophobicContact CD1-CD1 4.07Å; L139-F155 HydrophobicContact CD2-CB 4Å; L139-F155 HydrophobicContact CD2-CD1 4.32Å; L139-F155 HydrophobicContact CD2-CG 4.49Å; H151-F155 HydrophobicContact CB-CD2 4.36Å; H151-F155 HydrophobicContact CB-CE2 4.48Å; H151-F155 AromaticContact CD2-CE2 3.89Å; H151-F155 WeakPolarHBondContact O-CB 3.3Å; H151-F155 WeakPolarHBondContact O-CD2 3.31Å; H151-F155 WeakPolarHBondContact O-CG 3.43Å; H151-F155 PolarHBondContact O-N 2.83Å; Y152-F155 PolarHBondContact O-N 3.49Å; F155-F159 HydrophobicContact CB-CD2 4.28Å; F155-F159 AromaticContact CD1-CD2 3.88Å; F155-F159 HydrophobicContact CD1-CD2 3.88Å; F155-F159 HydrophobicContact CD1-CE2 4.01Å; F155-F159 HydrophobicContact CE1-CD2 4.49Å; F155-F159 HydrophobicContact CE1-CE2 4.22Å; F155-F159 HydrophobicContact CG-CD2 4.15Å; F155-F159 HydrophobicContact CG-CE2 4.3Å; F155-F159 WeakPolarHBondContact O-CA 3.46Å; F155-F159 WeakPolarHBondContact O-CB 3.36Å; F155-F159 PolarHBondContact O-N 2.78Å; F155-F161 HydrophobicContact CB-CE2 4.34Å; F155-F161 HydrophobicContact CD1-CE2 4.14Å; F155-F161 HydrophobicContact CD1-CZ 4.34Å; F155-V200 HydrophobicContact CE1-CG1 3.91Å; F155-I202 HydrophobicContact CD1-CD1 3.84Å; F155-I202 HydrophobicContact CD2-CD1 4.07Å; F155-I202 HydrophobicContact CE1-CD1 3.64Å; F155-I202 HydrophobicContact CE1-CG1 4.26Å; F155-I202 HydrophobicContact CE2-CD1 3.89Å; F155-I202 HydrophobicContact CG-CD1 4.05Å; F155-I202 HydrophobicContact CZ-CD1 3.67Å; F155-I202 HydrophobicContact CZ-CG1 4.29Å
156	T	98.1	Very high	98.5	Very high	59 Å²	59	48 Å²	48	36%	0.362	24%	0.243	S	C	.	.	H	α-helix	trans	-76.9	-25.1	174.8	55.7	0	0	0	0	112.6	Y152 E153	Y152-T156 HydrophobicContact CD1-CG2 4.33Å; Y152-T156 HydrophobicContact CD2-CG2 4.1Å; Y152-T156 HydrophobicContact CE1-CG2 3.98Å; Y152-T156 HydrophobicContact CE2-CG2 3.78Å; Y152-T156 HydrophobicContact CG-CG2 4.38Å; Y152-T156 WeakPolarHBondContact O-CB 3.42Å; Y152-T156 WeakPolarHBondContact O-CG2 3.35Å; Y152-T156 PolarHBondContact O-N 3.46Å; Y152-T156 PolarHBondContact O-OG1 2.88Å; E153-T156 PolarHBondContact O-OG1 3.06Å
157	E	97.8	Very high	98.5	Very high	106 Å²	106	45.2 Å²	45.2	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-73.1	-42.7	169.9	-172.5	-178.8	-172.7	0	0	112.1	S19 S21 E153 I154	S19-E157 PolarHBondContact OG-OE2 3.15Å; S21-E157 PolarHBondContact OG-OE1 2.77Å; S21-E157 PolarHBondContact OG-OE2 2.68Å; E153-E157 WeakPolarHBondContact O-CB 3.39Å; E153-E157 PolarHBondContact O-N 2.98Å; E153-E157 VanDerWaalsContact O-N 3.14Å; I154-E157 PolarHBondContact O-N 3.42Å
158	Q	98	Very high	98.5	Very high	83 Å²	83	44.8 Å²	44.8	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-89.8	-26.4	-171.9	-68.5	-60	-51.8	0	0	114.4	S21 I24 I154	S21-Q158 VanDerWaalsContact CB-NE2 3.3Å; S21-Q158 PolarHBondContact OG-NE2 2.67Å; I24-Q158 HydrophobicContact CD1-CG 3.89Å; I154-Q158 HydrophobicContact CG1-CG 3.79Å; I154-Q158 VanDerWaalsContact O-CB 3.24Å; I154-Q158 WeakPolarHBondContact O-CB 3.31Å; I154-Q158 VanDerWaalsContact O-CG 3.24Å; I154-Q158 WeakPolarHBondContact O-CG 3.48Å; I154-Q158 PolarHBondContact O-N 3.5Å
159	F	97.9	Very high	98.5	Very high	30 Å²	30	52.1 Å²	52.1	13%	0.132	25%	0.248	C	C	.	.			trans	-132.5	147.8	-173	-49	-65	0	0	0	111.7	A125 T128 K129 K132 F155 F161	A125-F159 HydrophobicContact CB-CE2 4.25Å; A125-F159 WeakPolarHBondContact O-CZ 3.48Å; T128-F159 HydrophobicContact CG2-CD2 4.3Å; T128-F159 HydrophobicContact CG2-CE1 4.48Å; T128-F159 HydrophobicContact CG2-CE2 3.72Å; T128-F159 HydrophobicContact CG2-CZ 3.83Å; K129-F159 HydrophobicContact CB-CE1 4.29Å; K129-F159 HydrophobicContact CB-CZ 4.23Å; K132-F159 HydrophobicContact CD-CD1 4.38Å; K132-F159 HydrophobicContact CD-CE1 4.39Å; F155-F159 HydrophobicContact CB-CD2 4.28Å; F155-F159 AromaticContact CD1-CD2 3.88Å; F155-F159 HydrophobicContact CD1-CD2 3.88Å; F155-F159 HydrophobicContact CD1-CE2 4.01Å; F155-F159 HydrophobicContact CE1-CD2 4.49Å; F155-F159 HydrophobicContact CE1-CE2 4.22Å; F155-F159 HydrophobicContact CG-CD2 4.15Å; F155-F159 HydrophobicContact CG-CE2 4.3Å; F155-F159 WeakPolarHBondContact O-CA 3.46Å; F155-F159 WeakPolarHBondContact O-CB 3.36Å; F155-F159 PolarHBondContact O-N 2.78Å; F159-F161 HydrophobicContact CB-CD2 4.08Å; F159-F161 HydrophobicContact CB-CE2 3.52Å; F159-F161 HydrophobicContact CB-CZ 3.93Å; F159-F161 HydrophobicContact CD2-CE2 4.09Å; F159-F161 HydrophobicContact CD2-CZ 4.32Å; F159-F161 HydrophobicContact CG-CE2 4.2Å; F159-F161 HydrophobicContact CG-CZ 4.35Å
160	S	97	Very high	98.4	Very high	121 Å²	121	50.7 Å²	50.7	85%	0.846	25%	0.248	S	C	*	.			trans	-102.7	90.1	177.4	-54.6	0	0	0	0	110.3
161	F	98.4	Very high	98.4	Very high	33 Å²	33	55.4 Å²	55.4	15%	0.145	27%	0.267	C	S	.	.			trans	-84.5	142.3	170.5	-61.8	-75.2	0	0	0	110.3	E137 L139 F155 F159 E163 V164 V200	E137-F161 CarbonylContact O-C 3.51Å; E137-F161 WeakPolarHBondContact O-CA 3.14Å; L139-F161 HydrophobicContact CB-CB 4.33Å; L139-F161 HydrophobicContact CB-CD1 3.81Å; L139-F161 HydrophobicContact CB-CD2 3.75Å; L139-F161 HydrophobicContact CB-CE1 3.99Å; L139-F161 HydrophobicContact CB-CE2 3.92Å; L139-F161 HydrophobicContact CB-CG 3.68Å; L139-F161 HydrophobicContact CB-CZ 4.04Å; L139-F161 HydrophobicContact CD1-CE2 4.43Å; L139-F161 HydrophobicContact CD1-CZ 4.34Å; L139-F161 HydrophobicContact CD2-CD2 3.97Å; L139-F161 HydrophobicContact CD2-CE2 3.88Å; L139-F161 HydrophobicContact CG-CD2 4.43Å; L139-F161 HydrophobicContact CG-CE2 4.29Å; F155-F161 HydrophobicContact CB-CE2 4.34Å; F155-F161 HydrophobicContact CD1-CE2 4.14Å; F155-F161 HydrophobicContact CD1-CZ 4.34Å; F159-F161 HydrophobicContact CB-CD2 4.08Å; F159-F161 HydrophobicContact CB-CE2 3.52Å; F159-F161 HydrophobicContact CB-CZ 3.93Å; F159-F161 HydrophobicContact CD2-CE2 4.09Å; F159-F161 HydrophobicContact CD2-CZ 4.32Å; F159-F161 HydrophobicContact CG-CE2 4.2Å; F159-F161 HydrophobicContact CG-CZ 4.35Å; F161-E163 VanDerWaalsContact C-N 3.34Å; F161-V164 HydrophobicContact CB-CG2 4.34Å; F161-V200 HydrophobicContact CE1-CB 4.14Å; F161-V200 HydrophobicContact CE1-CG2 3.93Å; F161-V200 HydrophobicContact CZ-CB 4.18Å; F161-V200 HydrophobicContact CZ-CG2 4.08Å
162	K	98.6	Very high	98.4	Very high	153 Å²	153	60.7 Å²	60.7	67%	0.665	29%	0.292	S	S	*	.	S	Bend	trans	-76.8	-27.1	171.1	-64.6	-172.7	-173.3	166.1	0	111.8	E137	E137-K162 HydrophobicContact CB-CB 4.37Å; E137-K162 HydrophobicContact CB-CD 4.16Å; E137-K162 HydrophobicContact CB-CG 4.17Å; E137-K162 HydrophobicContact CG-CD 4.25Å; E137-K162 PolarHBondContact O-N 3.4Å; E137-K162 VanDerWaalsContact OE1-CE 3.23Å; E137-K162 WeakPolarHBondContact OE1-CE 3.49Å; E137-K162 IonicContact OE1-NZ 2.77Å; E137-K162 PolarHBondContact OE1-NZ 3.35Å; E137-K162 WeakPolarHBondContact OE2-CD 3.28Å; E137-K162 VanDerWaalsContact OE2-CE 3.32Å; E137-K162 WeakPolarHBondContact OE2-CE 3.41Å; E137-K162 IonicContact OE2-NZ 3.32Å; E137-K162 PolarHBondContact OE2-NZ 2.98Å
163	E	98.8	Very high	98.3	Very high	54 Å²	54	63.2 Å²	63.2	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.3	-178.1	-167	-173.7	159	0	0	110	E137 V138 L139 F161 R165 Q186	E137-E163 PolarHBondContact O-N 2.85Å; V138-E163 WeakPolarHBondContact CA-O 3.41Å; V138-E163 HydrophobicContact CG1-CB 4.46Å; V138-E163 HydrophobicContact CG2-CB 4.3Å; L139-E163 PolarHBondContact N-O 3.47Å; F161-E163 VanDerWaalsContact C-N 3.34Å; E163-R165 VanDerWaalsContact CD-NE 3.31Å; E163-R165 HydrophobicContact CG-CG 4.35Å; E163-R165 WeakPolarHBondContact OE1-CG 3.19Å; E163-R165 IonicContact OE1-CZ 2.87Å; E163-R165 IonicContact OE1-NE 3.24Å; E163-R165 PolarHBondContact OE1-NE 3.07Å; E163-R165 IonicContact OE1-NH2 3.62Å; E163-R165 PolarHBondContact OE1-NH2 2.8Å; E163-R165 IonicContact OE2-CZ 2.69Å; E163-R165 IonicContact OE2-NE 3.01Å; E163-R165 IonicContact OE2-NH2 2.67Å; E163-R165 PolarHBondContact OE2-NH2 2.89Å; E163-Q186 PolarHBondContact OE1-OE1 2.97Å
164	V	98.9	Very high	98.3	Very high	14 Å²	14	59 Å²	59	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.4	169.9	-174.9	0	0	0	0	108.9	L139 Y152 F161 V185 Q186	L139-V164 HydrophobicContact CB-CG1 4.39Å; L139-V164 HydrophobicContact CB-CG2 4.32Å; L139-V164 HydrophobicContact CD2-CG1 4.01Å; L139-V164 HydrophobicContact CD2-CG2 4.32Å; L139-V164 HydrophobicContact CG-CG1 4.21Å; L139-V164 CarbonylContact O-C 3.54Å; L139-V164 WeakPolarHBondContact O-CA 3.24Å; Y152-V164 HydrophobicContact CD2-CG1 4.05Å; Y152-V164 HydrophobicContact CE2-CB 4.38Å; Y152-V164 HydrophobicContact CE2-CG1 3.88Å; Y152-V164 HydrophobicContact CE2-CG2 4.41Å; F161-V164 HydrophobicContact CB-CG2 4.34Å; V164-V185 HydrophobicContact CB-CG2 4.43Å; V164-V185 HydrophobicContact CG1-CG1 4.44Å; V164-V185 HydrophobicContact CG1-CG2 4.34Å; V164-V185 CarbonylContact O-C 3.49Å; V164-V185 WeakPolarHBondContact O-CA 3.06Å; V164-Q186 PolarHBondContact O-N 3.08Å
165	R	98.9	Very high	98.4	Very high	30 Å²	30	62.8 Å²	62.8	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.5	179.3	-62.1	174	-175.1	162.2	9.3	110.5	L139 C140 I141 E163 Q186 A194 A196	L139-R165 PolarHBondContact O-N 2.97Å; C140-R165 CarbonylContact C-O 3.6Å; C140-R165 WeakPolarHBondContact CA-O 3.33Å; I141-R165 PolarHBondContact N-O 3.05Å; E163-R165 VanDerWaalsContact CD-NE 3.31Å; E163-R165 HydrophobicContact CG-CG 4.35Å; E163-R165 WeakPolarHBondContact OE1-CG 3.19Å; E163-R165 IonicContact OE1-CZ 2.87Å; E163-R165 IonicContact OE1-NE 3.24Å; E163-R165 PolarHBondContact OE1-NE 3.07Å; E163-R165 IonicContact OE1-NH2 3.62Å; E163-R165 PolarHBondContact OE1-NH2 2.8Å; E163-R165 IonicContact OE2-CZ 2.69Å; E163-R165 IonicContact OE2-NE 3.01Å; E163-R165 IonicContact OE2-NH2 2.67Å; E163-R165 PolarHBondContact OE2-NH2 2.89Å; R165-Q186 CarbonylContact C-O 3.58Å; R165-Q186 WeakPolarHBondContact CA-O 3.47Å; R165-Q186 HydrophobicContact CG-CB 4.3Å; R165-A194 WeakPolarHBondContact CD-O 3.41Å; R165-A194 PolarHBondContact NH1-O 3.27Å; R165-A196 PolarHBondContact NH1-O 2.89Å
166	I	98.9	Very high	98.4	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.5	171.3	-169	167.3	0	0	0	111	I141 A144 A174 F177 V185 Q186 V187 C188	I141-I166 HydrophobicContact CB-CG1 4.38Å; I141-I166 CarbonylContact O-C 3.57Å; I141-I166 VanDerWaalsContact O-CA 3.31Å; I141-I166 WeakPolarHBondContact O-CA 3.5Å; A144-I166 HydrophobicContact CB-CD1 3.99Å; I166-A174 HydrophobicContact CG1-CB 4.43Å; I166-A174 HydrophobicContact CG2-CB 4.1Å; I166-F177 HydrophobicContact CD1-CB 3.91Å; I166-F177 HydrophobicContact CD1-CD1 3.26Å; I166-F177 HydrophobicContact CD1-CD2 4.01Å; I166-F177 HydrophobicContact CD1-CE1 3.7Å; I166-F177 HydrophobicContact CD1-CE2 4.38Å; I166-F177 HydrophobicContact CD1-CG 3.44Å; I166-F177 VanDerWaalsContact CD1-CG 3.44Å; I166-F177 HydrophobicContact CD1-CZ 4.23Å; I166-V185 HydrophobicContact CB-CG1 3.89Å; I166-V185 HydrophobicContact CG2-CG1 3.5Å; I166-V185 VanDerWaalsContact CG2-CG1 3.5Å; I166-Q186 PolarHBondContact N-O 2.97Å; I166-V187 HydrophobicContact CG2-CB 4.43Å; I166-V187 HydrophobicContact CG2-CG2 3.93Å; I166-C188 PolarHBondContact O-N 3.13Å
167	W	98.9	Very high	98.4	Very high	40 Å²	40	65.7 Å²	65.7	15%	0.152	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.9	162.7	172.4	88.8	0	0	0	109.6	I141 L142 G143 R169 S190 V191 A194 I211	I141-W167 PolarHBondContact O-N 3.08Å; L142-W167 HydrophobicContact CB-CE3 4.35Å; L142-W167 HydrophobicContact CD2-CB 3.9Å; L142-W167 HydrophobicContact CD2-CE3 4.22Å; G143-W167 PolarHBondContact N-O 3.01Å; W167-R169 HydrophobicContact CH2-CB 4.21Å; W167-R169 HydrophobicContact CZ2-CB 4.49Å; W167-S190 VanDerWaalsContact CD1-CA 3.48Å; W167-V191 HydrophobicContact CD2-CG2 3.5Å; W167-V191 VanDerWaalsContact CD2-CG2 3.5Å; W167-V191 HydrophobicContact CE3-CG2 3.5Å; W167-V191 VanDerWaalsContact CE3-CG2 3.5Å; W167-V191 HydrophobicContact CG-CG2 4.17Å; W167-V191 HydrophobicContact CH2-CG2 3.79Å; W167-V191 HydrophobicContact CZ2-CG2 3.82Å; W167-V191 HydrophobicContact CZ3-CG2 3.64Å; W167-A194 HydrophobicContact CB-CB 3.8Å; W167-I211 HydrophobicContact CZ3-CD1 4.18Å
168	N	98.8	Very high	98.4	Very high	29 Å²	29	61.6 Å²	61.6	16%	0.155	30%	0.296	C	S	.	.			trans	-145.5	144.6	170.2	-173.3	70.4	0	0	0	109.6	A144 T170 A174	A144-N168 HydrophobicContact CB-CB 3.86Å; A144-N168 PolarHBondContact N-OD1 3.2Å; A144-N168 VanDerWaalsContact N-OD1 3.13Å; N168-T170 PolarHBondContact ND2-N 2.49Å; N168-T170 VanDerWaalsContact ND2-N 3.14Å; N168-T170 PolarHBondContact ND2-O 3.28Å; N168-T170 CarbonylContact O-C 3.48Å; N168-T170 PolarHBondContact O-N 3.32Å; N168-T170 VanDerWaalsContact O-N 3.13Å; N168-A174 HydrophobicContact CB-CB 3.84Å
169	R	97.5	Very high	98.5	Very high	153 Å²	153	64.3 Å²	64.3	58%	0.577	31%	0.313	S	S	*	.	S	Bend	trans	-50.2	-40.6	177.7	-178.6	-176.1	65.8	-169.7	-1.2	113.1	D82 W167	D82-R169 IonicContact OD1-NH2 3.18Å; D82-R169 PolarHBondContact OD1-NH2 3.28Å; D82-R169 VanDerWaalsContact OD1-NH2 3.13Å; D82-R169 IonicContact OD2-CZ 3.13Å; D82-R169 IonicContact OD2-NH1 2.85Å; D82-R169 PolarHBondContact OD2-NH1 3.01Å; D82-R169 IonicContact OD2-NH2 2.79Å; D82-R169 PolarHBondContact OD2-NH2 3.3Å; W167-R169 HydrophobicContact CH2-CB 4.21Å; W167-R169 HydrophobicContact CZ2-CB 4.49Å
170	T	97.7	Very high	98.5	Very high	52 Å²	52	67.6 Å²	67.6	32%	0.319	34%	0.336	S	S	.	.	S	Bend	trans	-99.3	104	173.1	-57.1	0	0	0	0	107.8	N168 E172 N173	N168-T170 PolarHBondContact ND2-N 2.49Å; N168-T170 VanDerWaalsContact ND2-N 3.14Å; N168-T170 PolarHBondContact ND2-O 3.28Å; N168-T170 CarbonylContact O-C 3.48Å; N168-T170 PolarHBondContact O-N 3.32Å; N168-T170 VanDerWaalsContact O-N 3.13Å; T170-E172 HydrophobicContact CG2-CB 4.45Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.41Å; T170-E172 PolarHBondContact O-N 3.28Å; T170-N173 PolarHBondContact O-N 3.22Å
171	K	98.3	Very high	98.6	Very high	107 Å²	107	63 Å²	63	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-38	-172.8	-174.8	177.8	178.8	-170.3	0	112.2	N173 A174 E175 V187	K171-N173 PolarHBondContact O-N 3.5Å; K171-N173 VanDerWaalsContact O-N 3.13Å; K171-A174 WeakPolarHBondContact O-CA 3.33Å; K171-A174 WeakPolarHBondContact O-CB 3.43Å; K171-A174 PolarHBondContact O-N 2.68Å; K171-E175 WeakPolarHBondContact CE-OE1 3.48Å; K171-E175 HydrophobicContact CG-CG 4.42Å; K171-E175 IonicContact NZ-OE1 2.72Å; K171-E175 PolarHBondContact O-N 3.46Å; K171-V187 HydrophobicContact CG-CG1 4.39Å
172	E	98.4	Very high	98.5	Very high	110 Å²	110	70.3 Å²	70.3	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-27.7	179.4	-58.1	78.1	-173.2	0	0	112.2	T170 K176	T170-E172 HydrophobicContact CG2-CB 4.45Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.41Å; T170-E172 PolarHBondContact O-N 3.28Å; E172-K176 WeakPolarHBondContact O-CB 3.24Å; E172-K176 WeakPolarHBondContact O-CD 3.44Å; E172-K176 WeakPolarHBondContact O-CG 3.24Å; E172-K176 PolarHBondContact O-N 3.06Å
173	N	98.3	Very high	98.5	Very high	65 Å²	65	65.2 Å²	65.2	35%	0.348	33%	0.328	S	S	.	.	H	α-helix	trans	-80.4	-29.3	175.5	-66.5	-22.8	0	0	0	112.3	A144 T170 K171 F177	A144-N173 HydrophobicContact CB-CB 4.3Å; T170-N173 PolarHBondContact O-N 3.22Å; K171-N173 PolarHBondContact O-N 3.5Å; K171-N173 VanDerWaalsContact O-N 3.13Å; N173-F177 WeakPolarHBondContact O-CB 3.18Å; N173-F177 PolarHBondContact O-N 3.4Å
174	A	98.7	Very high	98.4	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-70.4	-38.6	171.1	0	0	0	0	0	111.5	I166 N168 K171 F177 A178 V187	I166-A174 HydrophobicContact CG1-CB 4.43Å; I166-A174 HydrophobicContact CG2-CB 4.1Å; N168-A174 HydrophobicContact CB-CB 3.84Å; K171-A174 WeakPolarHBondContact O-CA 3.33Å; K171-A174 WeakPolarHBondContact O-CB 3.43Å; K171-A174 PolarHBondContact O-N 2.68Å; A174-F177 WeakPolarHBondContact O-CB 3.41Å; A174-F177 PolarHBondContact O-N 3.02Å; A174-A178 PolarHBondContact O-N 2.9Å; A174-V187 HydrophobicContact CB-CG1 3.82Å
175	E	98.7	Very high	98.4	Very high	79 Å²	79	72 Å²	72	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-49.6	173.2	-68.3	171.2	168.8	0	0	110.9	K171 F177 A178 D179 V187	K171-E175 WeakPolarHBondContact CE-OE1 3.48Å; K171-E175 HydrophobicContact CG-CG 4.42Å; K171-E175 IonicContact NZ-OE1 2.72Å; K171-E175 PolarHBondContact O-N 3.46Å; E175-F177 VanDerWaalsContact C-N 3.25Å; E175-F177 PolarHBondContact O-N 3.3Å; E175-A178 PolarHBondContact O-N 3.5Å; E175-A178 VanDerWaalsContact O-N 3.1Å; E175-D179 PolarHBondContact O-N 3.28Å; E175-V187 HydrophobicContact CG-CG1 4.29Å; E175-V187 HydrophobicContact CG-CG2 4.42Å
176	K	98.8	Very high	98.4	Very high	120 Å²	120	75 Å²	75	52%	0.522	38%	0.376	S	S	.	.	H	α-helix	trans	-56	-40.3	173.9	-75.2	169.5	-168.8	171	0	112.9	E172 T180	E172-K176 WeakPolarHBondContact O-CB 3.24Å; E172-K176 WeakPolarHBondContact O-CD 3.44Å; E172-K176 WeakPolarHBondContact O-CG 3.24Å; E172-K176 PolarHBondContact O-N 3.06Å; K176-T180 VanDerWaalsContact O-CB 3.26Å; K176-T180 WeakPolarHBondContact O-CB 3.39Å; K176-T180 PolarHBondContact O-N 3.34Å; K176-T180 PolarHBondContact O-OG1 2.86Å
177	F	98.8	Very high	98.4	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-53.3	175.2	176.3	-81.1	0	0	0	110.7	I141 A144 A148 Y149 Y152 I166 N173 A174 E175 D179 T180 V181 V185	I141-F177 HydrophobicContact CD1-CZ 4.38Å; A144-F177 HydrophobicContact CB-CB 4.22Å; A148-F177 HydrophobicContact CB-CD2 4.31Å; A148-F177 HydrophobicContact CB-CE2 3.84Å; Y149-F177 AromaticContact CD1-CD2 3.79Å; Y149-F177 HydrophobicContact CD1-CD2 3.79Å; Y149-F177 AromaticContact CD1-CE2 3.7Å; Y149-F177 HydrophobicContact CD1-CE2 3.7Å; Y149-F177 HydrophobicContact CD2-CD2 4.07Å; Y149-F177 HydrophobicContact CD2-CE2 4.22Å; Y149-F177 AromaticContact CE1-CD2 3.51Å; Y149-F177 HydrophobicContact CE1-CD2 3.51Å; Y149-F177 AromaticContact CE1-CE2 3.92Å; Y149-F177 HydrophobicContact CE1-CE2 3.92Å; Y149-F177 HydrophobicContact CE1-CG 4.25Å; Y149-F177 AromaticContact CE2-CD2 3.79Å; Y149-F177 HydrophobicContact CE2-CD2 3.79Å; Y149-F177 HydrophobicContact CE2-CE2 4.4Å; Y149-F177 HydrophobicContact CG-CD2 4.06Å; Y149-F177 AromaticContact CG-CE2 3.87Å; Y149-F177 HydrophobicContact CG-CE2 3.87Å; Y149-F177 AromaticContact CZ-CD2 3.51Å; Y149-F177 WeakPolarHBondContact OH-CA 3.26Å; Y152-F177 HydrophobicContact CD2-CE1 4.11Å; Y152-F177 HydrophobicContact CD2-CZ 4.01Å; Y152-F177 HydrophobicContact CG-CE1 4.34Å; Y152-F177 AromaticContact CG-CZ 3.85Å; Y152-F177 HydrophobicContact CG-CZ 3.85Å; I166-F177 HydrophobicContact CD1-CB 3.91Å; I166-F177 HydrophobicContact CD1-CD1 3.26Å; I166-F177 HydrophobicContact CD1-CD2 4.01Å; I166-F177 HydrophobicContact CD1-CE1 3.7Å; I166-F177 HydrophobicContact CD1-CE2 4.38Å; I166-F177 HydrophobicContact CD1-CG 3.44Å; I166-F177 VanDerWaalsContact CD1-CG 3.44Å; I166-F177 HydrophobicContact CD1-CZ 4.23Å; N173-F177 WeakPolarHBondContact O-CB 3.18Å; N173-F177 PolarHBondContact O-N 3.4Å; A174-F177 WeakPolarHBondContact O-CB 3.41Å; A174-F177 PolarHBondContact O-N 3.02Å; E175-F177 VanDerWaalsContact C-N 3.25Å; E175-F177 PolarHBondContact O-N 3.3Å; F177-D179 VanDerWaalsContact C-N 3.28Å; F177-D179 PolarHBondContact O-N 3.39Å; F177-T180 PolarHBondContact O-N 3.18Å; F177-T180 VanDerWaalsContact O-N 3.07Å; F177-V181 HydrophobicContact CD1-CG1 4.28Å; F177-V181 HydrophobicContact CD1-CG2 4.33Å; F177-V181 HydrophobicContact CD2-CG1 4.37Å; F177-V181 HydrophobicContact CE1-CG1 3.94Å; F177-V181 HydrophobicContact CE1-CG2 4.05Å; F177-V181 HydrophobicContact CE2-CG1 4.03Å; F177-V181 HydrophobicContact CG-CG1 4.48Å; F177-V181 HydrophobicContact CZ-CG1 3.81Å; F177-V181 WeakPolarHBondContact O-CG1 3.14Å; F177-V181 WeakPolarHBondContact O-CG2 3.26Å; F177-V181 PolarHBondContact O-N 2.58Å; F177-V181 VanDerWaalsContact O-N 3.08Å; F177-V185 HydrophobicContact CE1-CG1 4.45Å; F177-V185 HydrophobicContact CE1-CG2 4.45Å
178	A	98.7	Very high	98.4	Very high	20 Å²	20	75.2 Å²	75.2	17%	0.165	38%	0.381	C	S	.	.	H	α-helix	trans	-59.5	-37.1	179.8	0	0	0	0	0	112.6	A174 E175 V185 V187	A174-A178 PolarHBondContact O-N 2.9Å; E175-A178 PolarHBondContact O-N 3.5Å; E175-A178 VanDerWaalsContact O-N 3.1Å; A178-V185 HydrophobicContact CB-CB 3.98Å; A178-V185 HydrophobicContact CB-CG1 4.35Å; A178-V187 HydrophobicContact CB-CG2 3.78Å
179	D	98.6	Very high	98.4	Very high	139 Å²	139	78 Å²	78	74%	0.743	40%	0.404	S	S	*	.	H	α-helix	trans	-73	-25.3	177.1	-68.8	-26.7	0	0	0	113.4	E175 F177	E175-D179 PolarHBondContact O-N 3.28Å; F177-D179 VanDerWaalsContact C-N 3.28Å; F177-D179 PolarHBondContact O-N 3.39Å
180	T	98.6	Very high	98.5	Very high	100 Å²	100	72.8 Å²	72.8	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-89.2	-36.2	-174.9	-60.1	0	0	0	0	112.3	Y149 K176 F177	Y149-T180 HydrophobicContact CE1-CG2 4.05Å; K176-T180 VanDerWaalsContact O-CB 3.26Å; K176-T180 WeakPolarHBondContact O-CB 3.39Å; K176-T180 PolarHBondContact O-N 3.34Å; K176-T180 PolarHBondContact O-OG1 2.86Å; F177-T180 PolarHBondContact O-N 3.18Å; F177-T180 VanDerWaalsContact O-N 3.07Å
181	V	98.5	Very high	98.5	Very high	24 Å²	24	70.9 Å²	70.9	15%	0.145	38%	0.378	C	S	.	.	S	Bend	trans	-80	155.3	-174.9	-61.1	0	0	0	0	112.2	Y149 Y152 F177 V185	Y149-V181 HydrophobicContact CD1-CG1 3.82Å; Y149-V181 HydrophobicContact CE1-CG1 3.88Å; Y152-V181 HydrophobicContact CD1-CB 3.82Å; Y152-V181 HydrophobicContact CD1-CG1 3.86Å; Y152-V181 HydrophobicContact CD1-CG2 4.3Å; Y152-V181 HydrophobicContact CE1-CB 3.47Å; Y152-V181 VanDerWaalsContact CE1-CB 3.47Å; Y152-V181 HydrophobicContact CE1-CG1 4.06Å; Y152-V181 HydrophobicContact CE1-CG2 3.75Å; Y152-V181 HydrophobicContact CE2-CG2 4.13Å; Y152-V181 HydrophobicContact CG-CG1 4.37Å; F177-V181 HydrophobicContact CD1-CG1 4.28Å; F177-V181 HydrophobicContact CD1-CG2 4.33Å; F177-V181 HydrophobicContact CD2-CG1 4.37Å; F177-V181 HydrophobicContact CE1-CG1 3.94Å; F177-V181 HydrophobicContact CE1-CG2 4.05Å; F177-V181 HydrophobicContact CE2-CG1 4.03Å; F177-V181 HydrophobicContact CG-CG1 4.48Å; F177-V181 HydrophobicContact CZ-CG1 3.81Å; F177-V181 WeakPolarHBondContact O-CG1 3.14Å; F177-V181 WeakPolarHBondContact O-CG2 3.26Å; F177-V181 PolarHBondContact O-N 2.58Å; F177-V181 VanDerWaalsContact O-N 3.08Å; V181-V185 HydrophobicContact CG2-CG2 3.72Å
182	Q	97.3	Very high	98.5	Very high	187 Å²	187	70.8 Å²	70.8	87%	0.874	38%	0.38	S	S	*	.	S	Bend	trans	-85.3	113.8	174.8	-178.4	-176.8	-23.9	0	0	110.6	Y152	Y152-Q182 PolarHBondContact OH-O 3.22Å
183	G	97.6	Very high	98.6	Very high	46 Å²	46	68.9 Å²	68.9	47%	0.474	37%	0.371	S	S	.	.	S	Bend	trans	126.3	165.4	177.6	0	0	0	0	0	111.3
184	E	98.1	Very high	98.6	Very high	189 Å²	189	65.8 Å²	65.8	88%	0.883	35%	0.354	S	S	*	.			trans	-78.1	130.1	178.9	-65	-175.8	163.6	0	0	110.4
185	V	98.9	Very high	98.6	Very high	22 Å²	22	65.8 Å²	65.8	13%	0.133	35%	0.354	C	S	.	.			trans	-129.8	121.9	175.1	-178.8	0	0	0	0	109.2	Y152 V164 I166 F177 A178 V181 V187	Y152-V185 HydrophobicContact CD2-CG2 4.42Å; Y152-V185 HydrophobicContact CE2-CG2 3.52Å; V164-V185 HydrophobicContact CB-CG2 4.43Å; V164-V185 HydrophobicContact CG1-CG1 4.44Å; V164-V185 HydrophobicContact CG1-CG2 4.34Å; V164-V185 CarbonylContact O-C 3.49Å; V164-V185 WeakPolarHBondContact O-CA 3.06Å; I166-V185 HydrophobicContact CB-CG1 3.89Å; I166-V185 HydrophobicContact CG2-CG1 3.5Å; I166-V185 VanDerWaalsContact CG2-CG1 3.5Å; F177-V185 HydrophobicContact CE1-CG1 4.45Å; F177-V185 HydrophobicContact CE1-CG2 4.45Å; A178-V185 HydrophobicContact CB-CB 3.98Å; A178-V185 HydrophobicContact CB-CG1 4.35Å; V181-V185 HydrophobicContact CG2-CG2 3.72Å; V185-V187 PolarHBondContact O-N 3.45Å
186	Q	98.8	Very high	98.6	Very high	92 Å²	92	64.5 Å²	64.5	43%	0.43	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.8	175.3	178	171.1	-28.6	0	0	110.4	E163 V164 R165 I166 C188	E163-Q186 PolarHBondContact OE1-OE1 2.97Å; V164-Q186 PolarHBondContact O-N 3.08Å; R165-Q186 CarbonylContact C-O 3.58Å; R165-Q186 WeakPolarHBondContact CA-O 3.47Å; R165-Q186 HydrophobicContact CG-CB 4.3Å; I166-Q186 PolarHBondContact N-O 2.97Å; Q186-C188 PolarHBondContact O-N 2.86Å
187	V	98.9	Very high	98.6	Very high	40 Å²	40	60.6 Å²	60.6	24%	0.242	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.8	173.7	-179.1	0	0	0	0	109.9	I166 K171 A174 E175 A178 V185	I166-V187 HydrophobicContact CG2-CB 4.43Å; I166-V187 HydrophobicContact CG2-CG2 3.93Å; K171-V187 HydrophobicContact CG-CG1 4.39Å; A174-V187 HydrophobicContact CB-CG1 3.82Å; E175-V187 HydrophobicContact CG-CG1 4.29Å; E175-V187 HydrophobicContact CG-CG2 4.42Å; A178-V187 HydrophobicContact CB-CG2 3.78Å; V185-V187 PolarHBondContact O-N 3.45Å
188	C	98.8	Very high	98.6	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.027	35%	0.351	C	S	.	.			trans	-93.6	150.5	179.4	-65	0	0	0	0	111.7	I166 Q186 E193 A194	I166-C188 PolarHBondContact O-N 3.13Å; Q186-C188 PolarHBondContact O-N 2.86Å; C188-E193 HydrophobicContact CB-CB 4.26Å; C188-E193 HydrophobicContact CB-CG 4.06Å; C188-A194 HydrophobicContact CB-CB 3.72Å
189	S	98.3	Very high	98.6	Very high	89 Å²	89	59.9 Å²	59.9	62%	0.622	34%	0.344	S	S	*	.	S	Bend	trans	-85.8	-20.2	-177.7	66.7	0	0	0	0	113.9	E193	S189-E193 WeakPolarHBondContact CB-OE2 3.13Å; S189-E193 PolarHBondContact N-OE2 3.18Å; S189-E193 PolarHBondContact OG-OE2 3.02Å
190	S	98.8	Very high	98.6	Very high	43 Å²	43	53.2 Å²	53.2	30%	0.301	31%	0.309	S	S	.	.	S	Bend	trans	-141.8	159.3	178.4	66.9	0	0	0	0	111.6	W167 Q192 E193 A194	W167-S190 VanDerWaalsContact CD1-CA 3.48Å; S190-Q192 VanDerWaalsContact C-N 3.31Å; S190-E193 PolarHBondContact O-N 3.26Å; S190-E193 VanDerWaalsContact OG-CB 3.31Å; S190-E193 WeakPolarHBondContact OG-CB 3.35Å; S190-E193 PolarHBondContact OG-N 3.14Å; S190-E193 VanDerWaalsContact OG-N 3.13Å; S190-A194 PolarHBondContact O-N 2.95Å; S190-A194 VanDerWaalsContact O-N 3.1Å
191	V	98.9	Very high	98.6	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-45.2	173.1	176.3	0	0	0	0	110.4	L142 W167 E193 A194 V195 I211 L212 W216	L142-V191 HydrophobicContact CD1-CG1 3.57Å; L142-V191 HydrophobicContact CD1-CG2 4.47Å; L142-V191 HydrophobicContact CD2-CG1 4.03Å; L142-V191 HydrophobicContact CD2-CG2 4.4Å; L142-V191 HydrophobicContact CG-CG1 4.49Å; W167-V191 HydrophobicContact CD2-CG2 3.5Å; W167-V191 VanDerWaalsContact CD2-CG2 3.5Å; W167-V191 HydrophobicContact CE3-CG2 3.5Å; W167-V191 VanDerWaalsContact CE3-CG2 3.5Å; W167-V191 HydrophobicContact CG-CG2 4.17Å; W167-V191 HydrophobicContact CH2-CG2 3.79Å; W167-V191 HydrophobicContact CZ2-CG2 3.82Å; W167-V191 HydrophobicContact CZ3-CG2 3.64Å; V191-E193 VanDerWaalsContact C-N 3.32Å; V191-E193 PolarHBondContact O-N 3.13Å; V191-A194 WeakPolarHBondContact O-CB 3.2Å; V191-A194 PolarHBondContact O-N 3.33Å; V191-V195 HydrophobicContact CG1-CG1 4.17Å; V191-V195 WeakPolarHBondContact O-CG2 3.36Å; V191-V195 PolarHBondContact O-N 3.26Å; V191-I211 WeakPolarHBondContact CG1-O 3.46Å; V191-L212 HydrophobicContact CG1-CD1 4.09Å; V191-W216 HydrophobicContact CB-CE3 4.42Å; V191-W216 HydrophobicContact CB-CZ3 3.92Å; V191-W216 HydrophobicContact CG1-CE3 4.02Å; V191-W216 HydrophobicContact CG1-CZ3 3.86Å
192	Q	98.8	Very high	98.7	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-56.1	-44.6	179.5	-173.8	178.1	24.4	0	0	112.2	S190 A196 W216	S190-Q192 VanDerWaalsContact C-N 3.31Å; Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 2.92Å; Q192-A196 VanDerWaalsContact O-N 3.17Å; Q192-W216 HydrophobicContact CB-CD2 3.8Å; Q192-W216 HydrophobicContact CB-CE3 3.99Å; Q192-W216 HydrophobicContact CB-CG 4.17Å; Q192-W216 HydrophobicContact CB-CZ2 4.46Å; Q192-W216 HydrophobicContact CB-CZ3 4.39Å; Q192-W216 HydrophobicContact CG-CB 4.35Å; Q192-W216 HydrophobicContact CG-CD2 3.91Å; Q192-W216 HydrophobicContact CG-CG 3.77Å
193	E	98.8	Very high	98.7	Very high	71 Å²	71	38.4 Å²	38.4	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-45.1	174.2	-177.4	-167.3	165.7	0	0	111.5	C188 S189 S190 V191 V195 A196	C188-E193 HydrophobicContact CB-CB 4.26Å; C188-E193 HydrophobicContact CB-CG 4.06Å; S189-E193 WeakPolarHBondContact CB-OE2 3.13Å; S189-E193 PolarHBondContact N-OE2 3.18Å; S189-E193 PolarHBondContact OG-OE2 3.02Å; S190-E193 PolarHBondContact O-N 3.26Å; S190-E193 VanDerWaalsContact OG-CB 3.31Å; S190-E193 WeakPolarHBondContact OG-CB 3.35Å; S190-E193 PolarHBondContact OG-N 3.14Å; S190-E193 VanDerWaalsContact OG-N 3.13Å; V191-E193 VanDerWaalsContact C-N 3.32Å; V191-E193 PolarHBondContact O-N 3.13Å; E193-V195 PolarHBondContact O-N 2.94Å; E193-A196 PolarHBondContact O-N 3.45Å
194	A	98.8	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-176.9	0	0	0	0	0	112.4	C140 L142 R165 W167 C188 S190 V191	C140-A194 VanDerWaalsContact SG-CB 3.53Å; C140-A194 PolarHBondContact SG-O 2.87Å; C140-A194 VanDerWaalsContact SG-O 3.36Å; L142-A194 HydrophobicContact CD2-CB 4.09Å; R165-A194 WeakPolarHBondContact CD-O 3.41Å; R165-A194 PolarHBondContact NH1-O 3.27Å; W167-A194 HydrophobicContact CB-CB 3.8Å; C188-A194 HydrophobicContact CB-CB 3.72Å; S190-A194 PolarHBondContact O-N 2.95Å; S190-A194 VanDerWaalsContact O-N 3.1Å; V191-A194 WeakPolarHBondContact O-CB 3.2Å; V191-A194 PolarHBondContact O-N 3.33Å
195	V	98.8	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-88.1	-8.4	-176.5	-55.9	0	0	0	0	114	L142 V191 E193 G197 A198 I201 L212 W216	L142-V195 HydrophobicContact CD1-CG1 4.29Å; L142-V195 HydrophobicContact CD2-CG1 4.29Å; V191-V195 HydrophobicContact CG1-CG1 4.17Å; V191-V195 WeakPolarHBondContact O-CG2 3.36Å; V191-V195 PolarHBondContact O-N 3.26Å; E193-V195 PolarHBondContact O-N 2.94Å; V195-G197 PolarHBondContact O-N 2.9Å; V195-A198 WeakPolarHBondContact O-CB 3.24Å; V195-A198 PolarHBondContact O-N 3.3Å; V195-I201 HydrophobicContact CB-CD1 3.9Å; V195-I201 HydrophobicContact CG1-CD1 3.88Å; V195-I201 HydrophobicContact CG1-CG1 4.3Å; V195-I201 HydrophobicContact CG1-CG2 4.13Å; V195-L212 HydrophobicContact CB-CD1 4.34Å; V195-L212 HydrophobicContact CG1-CD1 3.77Å; V195-L212 HydrophobicContact CG2-CD1 4.09Å; V195-W216 HydrophobicContact CG2-CB 3.63Å
196	A	98.8	Very high	98.7	Very high	53 Å²	53	30.4 Å²	30.4	44%	0.438	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	101.2	-176.6	0	0	0	0	0	112.2	R165 Q192 E193 A198	R165-A196 PolarHBondContact NH1-O 2.89Å; Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 2.92Å; Q192-A196 VanDerWaalsContact O-N 3.17Å; E193-A196 PolarHBondContact O-N 3.45Å; A196-A198 VanDerWaalsContact C-N 3.3Å; A196-A198 PolarHBondContact O-N 3.11Å
197	G	98.6	Very high	98.6	Very high	38 Å²	38	27 Å²	27	39%	0.392	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	11.2	-176.8	0	0	0	0	0	114.9	V195	V195-G197 PolarHBondContact O-N 2.9Å
198	A	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.177	C	C	.	.			trans	-65.5	137.6	174	0	0	0	0	0	111.1	V138 C140 V195 A196 I201 A221	V138-A198 HydrophobicContact CG1-CB 4.24Å; C140-A198 HydrophobicContact CB-CB 3.72Å; V195-A198 WeakPolarHBondContact O-CB 3.24Å; V195-A198 PolarHBondContact O-N 3.3Å; A196-A198 VanDerWaalsContact C-N 3.3Å; A196-A198 PolarHBondContact O-N 3.11Å; A198-I201 HydrophobicContact CB-CD1 4.39Å; A198-I201 HydrophobicContact CB-CG1 3.89Å; A198-A221 WeakPolarHBondContact O-CB 3.28Å
199	D	98.9	Very high	98.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-90	-35	178.6	-64.2	-63.1	0	0	0	112	P133 E137 V138 K218 A221 H222	P133-D199 WeakPolarHBondContact CD-O 3.18Å; P133-D199 HydrophobicContact CG-CB 3.93Å; E137-D199 PolarHBondContact N-OD2 3.23Å; V138-D199 PolarHBondContact N-OD2 3.39Å; V138-D199 PolarHBondContact O-N 3.35Å; D199-K218 IonicContact OD1-NZ 2.62Å; D199-K218 PolarHBondContact OD1-NZ 3.14Å; D199-A221 WeakPolarHBondContact O-CA 3.35Å; D199-H222 PolarHBondContact O-N 3.07Å
200	V	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.5	178	-178.4	0	0	0	0	108.3	T128 K132 V138 L139 C140 F155 F161 H222	T128-V200 HydrophobicContact CG2-CG1 4Å; T128-V200 HydrophobicContact CG2-CG2 4.12Å; K132-V200 HydrophobicContact CB-CG2 3.91Å; V138-V200 PolarHBondContact O-N 3.2Å; L139-V200 CarbonylContact C-O 3.52Å; L139-V200 WeakPolarHBondContact CA-O 3.45Å; L139-V200 HydrophobicContact CD1-CB 4.06Å; L139-V200 HydrophobicContact CD1-CG1 3.88Å; C140-V200 PolarHBondContact N-O 2.94Å; F155-V200 HydrophobicContact CE1-CG1 3.91Å; F161-V200 HydrophobicContact CE1-CB 4.14Å; F161-V200 HydrophobicContact CE1-CG2 3.93Å; F161-V200 HydrophobicContact CZ-CB 4.18Å; F161-V200 HydrophobicContact CZ-CG2 4.08Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.28Å; V200-H222 WeakPolarHBondContact CA-O 3.45Å
201	I	99	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.4	-179.6	-54.7	168.2	0	0	0	108.6	C140 L142 V195 A198 T203 L212 V217 H222 I223 N224	C140-I201 HydrophobicContact CB-CG1 4.22Å; C140-I201 HydrophobicContact CB-CG2 4.49Å; C140-I201 CarbonylContact O-C 3.59Å; C140-I201 VanDerWaalsContact O-CA 3.32Å; C140-I201 WeakPolarHBondContact O-CA 3.27Å; L142-I201 HydrophobicContact CD1-CG2 4.39Å; L142-I201 HydrophobicContact CG-CG2 4.38Å; V195-I201 HydrophobicContact CB-CD1 3.9Å; V195-I201 HydrophobicContact CG1-CD1 3.88Å; V195-I201 HydrophobicContact CG1-CG1 4.3Å; V195-I201 HydrophobicContact CG1-CG2 4.13Å; A198-I201 HydrophobicContact CB-CD1 4.39Å; A198-I201 HydrophobicContact CB-CG1 3.89Å; I201-T203 HydrophobicContact CG2-CG2 4.38Å; I201-L212 HydrophobicContact CD1-CD2 4.45Å; I201-L212 HydrophobicContact CG2-CD2 3.96Å; I201-V217 HydrophobicContact CD1-CG1 4.44Å; I201-V217 HydrophobicContact CD1-CG2 4.39Å; I201-H222 PolarHBondContact N-O 3.33Å; I201-I223 HydrophobicContact CB-CG1 4.11Å; I201-I223 HydrophobicContact CB-CG2 4.39Å; I201-I223 HydrophobicContact CD1-CG1 4.16Å; I201-I223 CarbonylContact O-C 3.25Å; I201-I223 WeakPolarHBondContact O-CA 3.25Å; I201-N224 PolarHBondContact O-N 2.9Å
202	I	99	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.1	177.4	-58.1	176.8	0	0	0	108.3	L139 C140 I141 L142 H151 F155 V204 N224	L139-I202 HydrophobicContact CD1-CD1 3.82Å; L139-I202 HydrophobicContact CD1-CG1 4.08Å; C140-I202 PolarHBondContact O-N 3.35Å; I141-I202 HydrophobicContact CG1-CD1 4.39Å; L142-I202 PolarHBondContact N-O 3.26Å; H151-I202 HydrophobicContact CB-CD1 3.93Å; H151-I202 HydrophobicContact CB-CG2 4.34Å; F155-I202 HydrophobicContact CD1-CD1 3.84Å; F155-I202 HydrophobicContact CD2-CD1 4.07Å; F155-I202 HydrophobicContact CE1-CD1 3.64Å; F155-I202 HydrophobicContact CE1-CG1 4.26Å; F155-I202 HydrophobicContact CE2-CD1 3.89Å; F155-I202 HydrophobicContact CG-CD1 4.05Å; F155-I202 HydrophobicContact CZ-CD1 3.67Å; F155-I202 HydrophobicContact CZ-CG1 4.29Å; I202-V204 HydrophobicContact CG2-CG1 3.68Å; I202-V204 HydrophobicContact CG2-CG2 4.32Å; I202-N224 HydrophobicContact CG1-CB 4.37Å
203	T	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.2	174.7	76.4	0	0	0	0	110.1	L142 I201 L212 I223 N224 A225 V226 G227 E235 L236	L142-T203 HydrophobicContact CB-CG2 4.47Å; L142-T203 HydrophobicContact CD1-CG2 4.04Å; I201-T203 HydrophobicContact CG2-CG2 4.38Å; T203-L212 HydrophobicContact CG2-CD2 4Å; T203-I223 HydrophobicContact CG2-CG2 4.29Å; T203-N224 PolarHBondContact N-O 3.45Å; T203-A225 WeakPolarHBondContact OG1-CA 3.35Å; T203-V226 WeakPolarHBondContact O-CB 3.43Å; T203-V226 PolarHBondContact O-N 2.97Å; T203-G227 PolarHBondContact O-N 2.96Å; T203-E235 VanDerWaalsContact CB-OE2 3.26Å; T203-E235 WeakPolarHBondContact CB-OE2 3.42Å; T203-E235 PolarHBondContact OG1-OE2 3.05Å; T203-L236 HydrophobicContact CG2-CD2 4.09Å
204	V	98.8	Very high	98.5	Very high	17 Å²	17	26.1 Å²	26.1	10%	0.103	16%	0.158	C	C	.	.			trans	-135.7	41.5	-172	-75.9	0	0	0	0	110.9	I141 L142 Q147 A148 I202 V226	I141-V204 HydrophobicContact CG2-CG2 4.11Å; L142-V204 WeakPolarHBondContact O-CG2 3.43Å; L142-V204 PolarHBondContact O-N 3.35Å; Q147-V204 HydrophobicContact CB-CB 3.8Å; Q147-V204 HydrophobicContact CB-CG1 3.63Å; A148-V204 HydrophobicContact CB-CG2 3.97Å; I202-V204 HydrophobicContact CG2-CG1 3.68Å; I202-V204 HydrophobicContact CG2-CG2 4.32Å; V204-V226 HydrophobicContact CG1-CB 3.81Å; V204-V226 HydrophobicContact CG1-CG1 4.2Å; V204-V226 HydrophobicContact CG1-CG2 4.12Å
205	T	98.3	Very high	98.5	Very high	22 Å²	22	33.3 Å²	33.3	14%	0.135	19%	0.192	C	C	.	.			trans	-100.6	174.9	-179.8	84.3	0	0	0	0	112.3	L142 A207 I211 E235	L142-T205 VanDerWaalsContact O-CG2 3.24Å; L142-T205 WeakPolarHBondContact O-CG2 3.41Å; T205-A207 VanDerWaalsContact OG1-CB 3.26Å; T205-A207 WeakPolarHBondContact OG1-CB 3.24Å; T205-A207 PolarHBondContact OG1-N 2.96Å; T205-I211 HydrophobicContact CG2-CD1 3.61Å; T205-E235 WeakPolarHBondContact CA-OE1 3.42Å; T205-E235 WeakPolarHBondContact CB-OE1 3.45Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.48Å; T205-E235 PolarHBondContact N-OE1 3.01Å; T205-E235 PolarHBondContact OG1-OE1 3.39Å
206	L	96.3	Very high	98.5	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.257	20%	0.204	S	C	.	.			trans	-105.1	27.2	166.8	-70.9	170.6	0	0	0	111.5	D82 W233	D82-L206 HydrophobicContact CB-CB 4Å; D82-L206 HydrophobicContact CB-CD1 4.43Å; L206-W233 HydrophobicContact CD2-CZ3 4.38Å
207	A	97.1	Very high	98.5	Very high	21 Å²	21	34.7 Å²	34.7	17%	0.174	19%	0.188	C	C	.	.			trans	-62.3	145.3	171.7	0	0	0	0	0	110.4	T205 I211 E235	T205-A207 VanDerWaalsContact OG1-CB 3.26Å; T205-A207 WeakPolarHBondContact OG1-CB 3.24Å; T205-A207 PolarHBondContact OG1-N 2.96Å; A207-I211 HydrophobicContact CB-CG2 3.73Å; A207-E235 HydrophobicContact CB-CG 4.39Å
208	T	97.8	Very high	98.5	Very high	59 Å²	59	36.7 Å²	36.7	36%	0.362	19%	0.186	S	C	.	.	S	Bend	trans	-108.6	-12.4	175.2	62	0	0	0	0	111.8	W233 R234	T208-W233 HydrophobicContact CG2-CB 4.43Å; T208-W233 HydrophobicContact CG2-CD2 3.71Å; T208-W233 HydrophobicContact CG2-CE3 4.39Å; T208-W233 HydrophobicContact CG2-CG 3.67Å; T208-R234 CarbonylContact C-O 3.53Å; T208-R234 VanDerWaalsContact C-O 3.25Å; T208-R234 PolarHBondContact O-N 3.48Å
209	E	98.5	Very high	98.5	Very high	132 Å²	132	42.2 Å²	42.2	62%	0.617	22%	0.222	S	C	*	.	S	Bend	trans	-120.5	151.3	177.7	-61.6	-58.3	149.1	0	0	109.6	I211 R234	E209-I211 PolarHBondContact O-N 3.13Å; E209-R234 CarbonylContact C-O 3.52Å; E209-R234 PolarHBondContact N-O 2.94Å
210	P	98.8	Very high	98.5	Very high	33 Å²	33	42.5 Å²	42.5	21%	0.214	23%	0.225	C	C	.	.			trans	-51.6	128.2	179.7	-28.5	37	0	0	0	113.3	F213 R234 D237	P210-F213 HydrophobicContact CB-CZ 4.23Å; P210-R234 HydrophobicContact CG-CB 4.03Å; P210-D237 HydrophobicContact CB-CB 3.98Å; P210-D237 HydrophobicContact CG-CB 4.49Å
211	I	98.8	Very high	98.5	Very high	31 Å²	31	42.5 Å²	42.5	16%	0.159	23%	0.225	C	C	.	.			trans	-112.5	-23.6	174.2	59.7	167.7	0	0	0	112	L142 W167 V191 T205 A207 E209 W216 E235	L142-I211 HydrophobicContact CB-CD1 4.4Å; L142-I211 HydrophobicContact CD1-CD1 4.47Å; W167-I211 HydrophobicContact CZ3-CD1 4.18Å; V191-I211 WeakPolarHBondContact CG1-O 3.46Å; T205-I211 HydrophobicContact CG2-CD1 3.61Å; A207-I211 HydrophobicContact CB-CG2 3.73Å; E209-I211 PolarHBondContact O-N 3.13Å; I211-W216 WeakPolarHBondContact O-CZ3 3.46Å; I211-E235 HydrophobicContact CG1-CB 4.27Å; I211-E235 WeakPolarHBondContact CG1-O 3.29Å; I211-E235 PolarHBondContact N-O 2.74Å
212	L	98.9	Very high	98.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-112.3	122.7	178.2	179	57	0	0	0	109.4	L142 V191 V195 I201 T203 V217 I223 E235 L236 D237 L240	L142-L212 HydrophobicContact CD1-CB 4.17Å; L142-L212 HydrophobicContact CD1-CD1 4.4Å; L142-L212 HydrophobicContact CD1-CD2 4.39Å; V191-L212 HydrophobicContact CG1-CD1 4.09Å; V195-L212 HydrophobicContact CB-CD1 4.34Å; V195-L212 HydrophobicContact CG1-CD1 3.77Å; V195-L212 HydrophobicContact CG2-CD1 4.09Å; I201-L212 HydrophobicContact CD1-CD2 4.45Å; I201-L212 HydrophobicContact CG2-CD2 3.96Å; T203-L212 HydrophobicContact CG2-CD2 4Å; L212-V217 HydrophobicContact CD1-CG2 4Å; L212-V217 HydrophobicContact CG-CG2 4.34Å; L212-I223 HydrophobicContact CD2-CG1 4.43Å; L212-I223 HydrophobicContact CD2-CG2 4.17Å; L212-E235 PolarHBondContact N-O 2.81Å; L212-L236 HydrophobicContact CB-CD2 3.86Å; L212-L236 HydrophobicContact CD2-CD2 3.83Å; L212-L236 HydrophobicContact CG-CD2 4.21Å; L212-D237 PolarHBondContact O-N 3.01Å; L212-D237 VanDerWaalsContact O-N 3.08Å; L212-L240 HydrophobicContact CD2-CD2 3.87Å; L212-L240 HydrophobicContact CG-CD2 3.89Å
213	F	98.9	Very high	98.5	Very high	78 Å²	78	42.5 Å²	42.5	34%	0.342	23%	0.225	S	C	.	.			trans	-110.8	136.6	-177.2	-67.3	-100.9	0	0	0	110.5	P210 E215 W216 D237	P210-F213 HydrophobicContact CB-CZ 4.23Å; F213-E215 PolarHBondContact O-N 3.33Å; F213-W216 HydrophobicContact CB-CD2 4.06Å; F213-W216 HydrophobicContact CB-CE3 4.14Å; F213-W216 HydrophobicContact CB-CH2 4.3Å; F213-W216 HydrophobicContact CB-CZ2 4.21Å; F213-W216 HydrophobicContact CB-CZ3 4.26Å; F213-W216 HydrophobicContact CD2-CE3 4.27Å; F213-W216 AromaticContact CD2-CH2 3.33Å; F213-W216 HydrophobicContact CD2-CH2 3.33Å; F213-W216 AromaticContact CD2-CZ2 3.89Å; F213-W216 HydrophobicContact CD2-CZ2 3.89Å; F213-W216 AromaticContact CD2-CZ3 3.55Å; F213-W216 HydrophobicContact CD2-CZ3 3.55Å; F213-W216 AromaticContact CE2-CH2 3.96Å; F213-W216 HydrophobicContact CE2-CH2 3.96Å; F213-W216 HydrophobicContact CE2-CZ3 4.4Å; F213-W216 HydrophobicContact CG-CH2 4.08Å; F213-W216 HydrophobicContact CG-CZ2 4.21Å; F213-W216 HydrophobicContact CG-CZ3 4.33Å; F213-W216 PolarHBondContact O-N 3.21Å; F213-W216 VanDerWaalsContact O-N 3.1Å; F213-D237 WeakPolarHBondContact CA-OD1 3.43Å; F213-D237 HydrophobicContact CD1-CB 3.64Å; F213-D237 HydrophobicContact CE1-CB 4Å; F213-D237 HydrophobicContact CG-CB 4.17Å
214	G	98.7	Very high	98.5	Very high	11 Å²	11	42.5 Å²	42.5	11%	0.113	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-52.2	-39.1	-178.7	0	0	0	0	0	113.6	W216 V217 D237	G214-W216 PolarHBondContact O-N 3.14Å; G214-V217 WeakPolarHBondContact O-CB 3.23Å; G214-V217 PolarHBondContact O-N 3.32Å; G214-D237 PolarHBondContact N-OD1 2.79Å
215	E	98.6	Very high	98.5	Very high	152 Å²	152	41.7 Å²	41.7	71%	0.71	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-52.1	-29.6	178.7	-170.9	-170.2	160.8	0	0	113.5	F213 E239	F213-E215 PolarHBondContact O-N 3.33Å; E215-E239 WeakPolarHBondContact CA-OE1 3.46Å; E215-E239 PolarHBondContact N-OE1 3.41Å; E215-E239 VanDerWaalsContact N-OE1 3.08Å
216	W	98.8	Very high	98.6	Very high	65 Å²	65	41.3 Å²	41.3	25%	0.246	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-92.4	-12.7	-176.7	-50.2	-21.7	0	0	0	113.2	V191 Q192 V195 I211 F213 G214	V191-W216 HydrophobicContact CB-CE3 4.42Å; V191-W216 HydrophobicContact CB-CZ3 3.92Å; V191-W216 HydrophobicContact CG1-CE3 4.02Å; V191-W216 HydrophobicContact CG1-CZ3 3.86Å; Q192-W216 HydrophobicContact CB-CD2 3.8Å; Q192-W216 HydrophobicContact CB-CE3 3.99Å; Q192-W216 HydrophobicContact CB-CG 4.17Å; Q192-W216 HydrophobicContact CB-CZ2 4.46Å; Q192-W216 HydrophobicContact CB-CZ3 4.39Å; Q192-W216 HydrophobicContact CG-CB 4.35Å; Q192-W216 HydrophobicContact CG-CD2 3.91Å; Q192-W216 HydrophobicContact CG-CG 3.77Å; V195-W216 HydrophobicContact CG2-CB 3.63Å; I211-W216 WeakPolarHBondContact O-CZ3 3.46Å; F213-W216 HydrophobicContact CB-CD2 4.06Å; F213-W216 HydrophobicContact CB-CE3 4.14Å; F213-W216 HydrophobicContact CB-CH2 4.3Å; F213-W216 HydrophobicContact CB-CZ2 4.21Å; F213-W216 HydrophobicContact CB-CZ3 4.26Å; F213-W216 HydrophobicContact CD2-CE3 4.27Å; F213-W216 AromaticContact CD2-CH2 3.33Å; F213-W216 HydrophobicContact CD2-CH2 3.33Å; F213-W216 AromaticContact CD2-CZ2 3.89Å; F213-W216 HydrophobicContact CD2-CZ2 3.89Å; F213-W216 AromaticContact CD2-CZ3 3.55Å; F213-W216 HydrophobicContact CD2-CZ3 3.55Å; F213-W216 AromaticContact CE2-CH2 3.96Å; F213-W216 HydrophobicContact CE2-CH2 3.96Å; F213-W216 HydrophobicContact CE2-CZ3 4.4Å; F213-W216 HydrophobicContact CG-CH2 4.08Å; F213-W216 HydrophobicContact CG-CZ2 4.21Å; F213-W216 HydrophobicContact CG-CZ3 4.33Å; F213-W216 PolarHBondContact O-N 3.21Å; F213-W216 VanDerWaalsContact O-N 3.1Å; G214-W216 PolarHBondContact O-N 3.14Å
217	V	98.8	Very high	98.5	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.097	21%	0.21	C	C	.	.	S	Bend	trans	-81.3	129.1	-171.3	177.6	0	0	0	0	109.9	I201 L212 G214 A221 I223 L240 T287	I201-V217 HydrophobicContact CD1-CG1 4.44Å; I201-V217 HydrophobicContact CD1-CG2 4.39Å; L212-V217 HydrophobicContact CD1-CG2 4Å; L212-V217 HydrophobicContact CG-CG2 4.34Å; G214-V217 WeakPolarHBondContact O-CB 3.23Å; G214-V217 PolarHBondContact O-N 3.32Å; V217-A221 HydrophobicContact CG1-CB 3.77Å; V217-I223 HydrophobicContact CG1-CD1 4.12Å; V217-L240 HydrophobicContact CB-CD1 4.42Å; V217-L240 HydrophobicContact CG1-CD1 4.33Å; V217-L240 HydrophobicContact CG2-CD1 4.05Å; V217-L240 HydrophobicContact CG2-CD2 4.22Å; V217-T287 HydrophobicContact CG1-CG2 3.97Å
218	K	98.7	Very high	98.4	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-58.4	130	172.3	175.5	-176.6	175.7	178.2	0	109.6	D199 G220 A221	D199-K218 IonicContact OD1-NZ 2.62Å; D199-K218 PolarHBondContact OD1-NZ 3.14Å; K218-G220 PolarHBondContact O-N 3.1Å; K218-A221 HydrophobicContact CB-CB 4.32Å; K218-A221 WeakPolarHBondContact O-CB 3.32Å; K218-A221 PolarHBondContact O-N 3.08Å
219	P	98.7	Very high	98.3	Very high	116 Å²	116	37.4 Å²	37.4	75%	0.753	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	126	171.6	-26.9	35.2	0	0	0	111.3
220	G	98.6	Very high	98.2	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-2.3	-176.3	0	0	0	0	0	115	P133 K218 T287	P133-G220 WeakPolarHBondContact CB-O 3.29Å; P133-G220 WeakPolarHBondContact CG-O 3.29Å; K218-G220 PolarHBondContact O-N 3.1Å; G220-T287 PolarHBondContact N-OG1 3.31Å; G220-T287 VanDerWaalsContact N-OG1 3.1Å
221	A	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.			trans	-65.9	149	177.2	0	0	0	0	0	112.1	A198 D199 V217 K218 T287 T288	A198-A221 WeakPolarHBondContact O-CB 3.28Å; D199-A221 WeakPolarHBondContact O-CA 3.35Å; V217-A221 HydrophobicContact CG1-CB 3.77Å; K218-A221 HydrophobicContact CB-CB 4.32Å; K218-A221 WeakPolarHBondContact O-CB 3.32Å; K218-A221 PolarHBondContact O-N 3.08Å; A221-T287 WeakPolarHBondContact O-CA 3.49Å; A221-T288 PolarHBondContact O-N 3.34Å
222	H	98.9	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	172.1	176.5	54.9	0	0	0	111	T128 L131 D199 V200 I201 N224 T288	T128-H222 PolarHBondContact OG1-CD2 2.87Å; L131-H222 WeakPolarHBondContact CB-ND1 3.19Å; D199-H222 PolarHBondContact O-N 3.07Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.28Å; V200-H222 WeakPolarHBondContact CA-O 3.45Å; I201-H222 PolarHBondContact N-O 3.33Å; H222-N224 PolarHBondContact NE2-ND2 3.26Å; H222-N224 PolarHBondContact NE2-OD1 2.76Å; H222-T288 PolarHBondContact ND1-OG1 3.27Å
223	I	98.9	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.9	-179.3	-55.2	86.1	0	0	0	109.7	I201 T203 L212 V217 L240 T287 T288 V289 F290	I201-I223 HydrophobicContact CB-CG1 4.11Å; I201-I223 HydrophobicContact CB-CG2 4.39Å; I201-I223 HydrophobicContact CD1-CG1 4.16Å; I201-I223 CarbonylContact O-C 3.25Å; I201-I223 WeakPolarHBondContact O-CA 3.25Å; T203-I223 HydrophobicContact CG2-CG2 4.29Å; L212-I223 HydrophobicContact CD2-CG1 4.43Å; L212-I223 HydrophobicContact CD2-CG2 4.17Å; V217-I223 HydrophobicContact CG1-CD1 4.12Å; I223-L240 HydrophobicContact CD1-CD1 4.1Å; I223-T287 HydrophobicContact CD1-CG2 3.91Å; I223-T288 VanDerWaalsContact CD1-O 3.25Å; I223-T288 WeakPolarHBondContact CD1-O 3.39Å; I223-T288 PolarHBondContact N-O 3.5Å; I223-V289 HydrophobicContact CB-CG2 4.21Å; I223-V289 HydrophobicContact CD1-CG2 4.2Å; I223-V289 CarbonylContact O-C 3.33Å; I223-V289 WeakPolarHBondContact O-CA 3.45Å; I223-F290 PolarHBondContact O-N 2.97Å
224	N	98.9	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.4	166.2	-63.9	-84.8	0	0	0	108.9	S124 T128 I201 I202 T203 H222 V226	S124-N224 PolarHBondContact O-OD1 3.43Å; S124-N224 VanDerWaalsContact O-OD1 3.1Å; T128-N224 PolarHBondContact OG1-ND2 2.53Å; T128-N224 PolarHBondContact OG1-OD1 3.2Å; I201-N224 PolarHBondContact O-N 2.9Å; I202-N224 HydrophobicContact CG1-CB 4.37Å; T203-N224 PolarHBondContact N-O 3.45Å; H222-N224 PolarHBondContact NE2-ND2 3.26Å; H222-N224 PolarHBondContact NE2-OD1 2.76Å; N224-V226 HydrophobicContact CB-CG2 4.44Å
225	A	98.9	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	95.7	-177.5	0	0	0	0	0	111	T203 L236 V289 F290 K291 S292	T203-A225 WeakPolarHBondContact OG1-CA 3.35Å; A225-L236 HydrophobicContact CB-CD1 3.77Å; A225-L236 HydrophobicContact CB-CG 4.4Å; A225-V289 HydrophobicContact CB-CG1 4.19Å; A225-F290 PolarHBondContact N-O 3.42Å; A225-K291 HydrophobicContact CB-CD 4.01Å; A225-S292 PolarHBondContact O-N 3.4Å
226	V	98.9	Very high	98.1	Very high	15 Å²	15	26.3 Å²	26.3	9%	0.091	14%	0.143	C	C	.	.			trans	-104.9	-30	-168	-175.7	0	0	0	0	112.6	T120 T203 V204 N224	T120-V226 HydrophobicContact CG2-CG1 3.47Å; T120-V226 VanDerWaalsContact CG2-CG1 3.47Å; T203-V226 WeakPolarHBondContact O-CB 3.43Å; T203-V226 PolarHBondContact O-N 2.97Å; V204-V226 HydrophobicContact CG1-CB 3.81Å; V204-V226 HydrophobicContact CG1-CG1 4.2Å; V204-V226 HydrophobicContact CG1-CG2 4.12Å; N224-V226 HydrophobicContact CB-CG2 4.44Å
227	G	96	Very high	98.1	Very high	8 Å²	8	24.1 Å²	24.1	8%	0.082	14%	0.136	C	C	.	.	S	Bend	trans	-72.1	-164	175.6	0	0	0	0	0	113	T203 S229 E235 K291	T203-G227 PolarHBondContact O-N 2.96Å; G227-S229 VanDerWaalsContact C-N 3.33Å; G227-S229 PolarHBondContact O-N 2.95Å; G227-E235 WeakPolarHBondContact CA-OE2 3.37Å; G227-E235 PolarHBondContact N-OE2 2.94Å; G227-E235 VanDerWaalsContact N-OE2 3.08Å; G227-K291 PolarHBondContact O-NZ 2.83Å
228	A	95.1	Very high	98.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.147	C	C	.	.			trans	48.2	47.6	175.8	0	0	0	0	0	114.7	R230 W233 E235 D260	A228-R230 PolarHBondContact O-N 3.03Å; A228-W233 HydrophobicContact CB-CB 4.04Å; A228-E235 HydrophobicContact CB-CG 4.02Å; A228-D260 WeakPolarHBondContact CB-OD2 3.18Å
229	S	93.9	Very high	98.1	Very high	37 Å²	37	26.1 Å²	26.1	26%	0.259	15%	0.148	S	C	.	.			trans	-82.8	34.1	-179.8	-34.9	0	0	0	0	113.3	G227 E257	G227-S229 VanDerWaalsContact C-N 3.33Å; G227-S229 PolarHBondContact O-N 2.95Å; S229-E257 CarbonylContact C-O 3.55Å
230	R	97.3	Very high	98.1	Very high	38 Å²	38	20.8 Å²	20.8	14%	0.143	11%	0.113	C	C	.	.	S	Bend	trans	-132.9	144.4	177.1	-68.3	-63.6	-57.5	157.7	0.4	109.2	Y58 F79 A228 D232 W233 E257 G259	Y58-R230 VanDerWaalsContact CE1-CZ 3.46Å; Y58-R230 VanDerWaalsContact CE1-NE 3.33Å; F79-R230 HydrophobicContact CE2-CG 4.12Å; F79-R230 HydrophobicContact CZ-CG 4.36Å; A228-R230 PolarHBondContact O-N 3.03Å; R230-D232 WeakPolarHBondContact CB-OD1 3.48Å; R230-D232 PolarHBondContact O-N 2.67Å; R230-W233 HydrophobicContact CB-CB 4.05Å; R230-W233 HydrophobicContact CB-CD2 3.55Å; R230-W233 HydrophobicContact CB-CE3 3.95Å; R230-W233 HydrophobicContact CB-CG 3.62Å; R230-W233 HydrophobicContact CB-CZ2 4.45Å; R230-W233 HydrophobicContact CG-CD2 3.63Å; R230-W233 HydrophobicContact CG-CE3 3.68Å; R230-W233 HydrophobicContact CG-CG 4.27Å; R230-W233 HydrophobicContact CG-CH2 3.85Å; R230-W233 HydrophobicContact CG-CZ2 3.79Å; R230-W233 HydrophobicContact CG-CZ3 3.8Å; R230-W233 PolarHBondContact O-N 3.35Å; R230-E257 CarbonylContact C-O 3.59Å; R230-E257 WeakPolarHBondContact CA-O 3.33Å; R230-E257 PolarHBondContact N-O 3.03Å; R230-E257 VanDerWaalsContact N-O 3.08Å; R230-G259 PolarHBondContact O-N 3.39Å
231	P	97.1	Very high	98.1	Very high	42 Å²	42	20.5 Å²	20.5	27%	0.273	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.7	-171.9	27.7	-36	0	0	0	113.7	E257 G259 L262	P231-E257 VanDerWaalsContact N-O 3.08Å; P231-G259 WeakPolarHBondContact O-CA 3.42Å; P231-L262 HydrophobicContact CB-CD1 3.56Å
232	D	97.9	Very high	98.1	Very high	88 Å²	88	26.5 Å²	26.5	47%	0.471	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	5.5	179.8	58.6	-38.6	0	0	0	113	R230	R230-D232 WeakPolarHBondContact CB-OD1 3.48Å; R230-D232 PolarHBondContact O-N 2.67Å
233	W	98.3	Very high	98	Very high	14 Å²	14	33.5 Å²	33.5	5%	0.053	17%	0.168	C	C	.	.			trans	-111.4	147.3	178.6	-63.6	1.3	0	0	0	111.2	Y58 F79 E81 L206 T208 A228 R230 G259 D260	Y58-W233 AromaticContact CE2-CH2 3.99Å; Y58-W233 HydrophobicContact CE2-CH2 3.99Å; Y58-W233 AromaticContact CE2-CZ2 3.87Å; Y58-W233 HydrophobicContact CE2-CZ2 3.87Å; F79-W233 HydrophobicContact CD2-CH2 4.47Å; F79-W233 HydrophobicContact CE2-CH2 4.14Å; F79-W233 HydrophobicContact CE2-CZ3 4.33Å; E81-W233 HydrophobicContact CG-CH2 3.91Å; E81-W233 HydrophobicContact CG-CZ2 3.66Å; L206-W233 HydrophobicContact CD2-CZ3 4.38Å; T208-W233 HydrophobicContact CG2-CB 4.43Å; T208-W233 HydrophobicContact CG2-CD2 3.71Å; T208-W233 HydrophobicContact CG2-CE3 4.39Å; T208-W233 HydrophobicContact CG2-CG 3.67Å; A228-W233 HydrophobicContact CB-CB 4.04Å; R230-W233 HydrophobicContact CB-CB 4.05Å; R230-W233 HydrophobicContact CB-CD2 3.55Å; R230-W233 HydrophobicContact CB-CE3 3.95Å; R230-W233 HydrophobicContact CB-CG 3.62Å; R230-W233 HydrophobicContact CB-CZ2 4.45Å; R230-W233 HydrophobicContact CG-CD2 3.63Å; R230-W233 HydrophobicContact CG-CE3 3.68Å; R230-W233 HydrophobicContact CG-CG 4.27Å; R230-W233 HydrophobicContact CG-CH2 3.85Å; R230-W233 HydrophobicContact CG-CZ2 3.79Å; R230-W233 HydrophobicContact CG-CZ3 3.8Å; R230-W233 PolarHBondContact O-N 3.35Å; W233-G259 CarbonylContact O-C 3.37Å; W233-G259 WeakPolarHBondContact O-CA 3.42Å; W233-G259 PolarHBondContact O-N 2.93Å; W233-D260 PolarHBondContact O-N 2.87Å
234	R	98.8	Very high	98	Very high	22 Å²	22	34 Å²	34	8%	0.083	17%	0.172	C	C	.	.			trans	-135.9	149.5	176.2	-60.2	-173.6	68.9	166.3	-2.5	112	T208 E209 P210 L236 D237 D238 D260 L263	T208-R234 CarbonylContact C-O 3.53Å; T208-R234 VanDerWaalsContact C-O 3.25Å; T208-R234 PolarHBondContact O-N 3.48Å; E209-R234 CarbonylContact C-O 3.52Å; E209-R234 PolarHBondContact N-O 2.94Å; P210-R234 HydrophobicContact CG-CB 4.03Å; R234-L236 VanDerWaalsContact CZ-O 3.28Å; R234-L236 PolarHBondContact NE-O 2.77Å; R234-L236 PolarHBondContact NH2-O 2.91Å; R234-D237 PolarHBondContact NH2-O 2.72Å; R234-D238 IonicContact CZ-OD1 3.5Å; R234-D238 VanDerWaalsContact CZ-OD1 3.24Å; R234-D238 IonicContact NH1-OD1 3.43Å; R234-D238 PolarHBondContact NH1-OD1 2.89Å; R234-D238 IonicContact NH2-OD1 2.67Å; R234-D238 PolarHBondContact NH2-OD1 3.13Å; R234-D260 VanDerWaalsContact CA-OD1 3.24Å; R234-D260 WeakPolarHBondContact CA-OD1 3.19Å; R234-D260 WeakPolarHBondContact CB-OD1 3.44Å; R234-L263 HydrophobicContact CG-CD1 3.85Å
235	E	98.9	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-114.4	-22.7	161.1	-72.8	-169.3	116.6	0	0	111.7	T203 T205 A207 I211 L212 G227 A228 D260	T203-E235 VanDerWaalsContact CB-OE2 3.26Å; T203-E235 WeakPolarHBondContact CB-OE2 3.42Å; T203-E235 PolarHBondContact OG1-OE2 3.05Å; T205-E235 WeakPolarHBondContact CA-OE1 3.42Å; T205-E235 WeakPolarHBondContact CB-OE1 3.45Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.48Å; T205-E235 PolarHBondContact N-OE1 3.01Å; T205-E235 PolarHBondContact OG1-OE1 3.39Å; A207-E235 HydrophobicContact CB-CG 4.39Å; I211-E235 HydrophobicContact CG1-CB 4.27Å; I211-E235 WeakPolarHBondContact CG1-O 3.29Å; I211-E235 PolarHBondContact N-O 2.74Å; L212-E235 PolarHBondContact N-O 2.81Å; G227-E235 WeakPolarHBondContact CA-OE2 3.37Å; G227-E235 PolarHBondContact N-OE2 2.94Å; G227-E235 VanDerWaalsContact N-OE2 3.08Å; A228-E235 HydrophobicContact CB-CG 4.02Å; E235-D260 PolarHBondContact N-OD1 2.86Å
236	L	98.9	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-113.4	140	-172.8	-50.6	-171.9	0	0	0	111.1	T203 L212 A225 R234 L240 M241 D260 V289	T203-L236 HydrophobicContact CG2-CD2 4.09Å; L212-L236 HydrophobicContact CB-CD2 3.86Å; L212-L236 HydrophobicContact CD2-CD2 3.83Å; L212-L236 HydrophobicContact CG-CD2 4.21Å; A225-L236 HydrophobicContact CB-CD1 3.77Å; A225-L236 HydrophobicContact CB-CG 4.4Å; R234-L236 VanDerWaalsContact CZ-O 3.28Å; R234-L236 PolarHBondContact NE-O 2.77Å; R234-L236 PolarHBondContact NH2-O 2.91Å; L236-L240 HydrophobicContact CB-CD2 4.34Å; L236-L240 HydrophobicContact CD1-CD2 4.18Å; L236-L240 HydrophobicContact CD2-CD2 3.97Å; L236-L240 HydrophobicContact CG-CD2 4.39Å; L236-M241 HydrophobicContact CB-CG 3.95Å; L236-M241 HydrophobicContact CB-SD 4.06Å; L236-M241 HydrophobicContact CD1-SD 3.62Å; L236-M241 HydrophobicContact CG-SD 4.43Å; L236-D260 PolarHBondContact N-OD1 3.09Å; L236-V289 HydrophobicContact CD1-CG1 3.83Å; L236-V289 HydrophobicContact CD1-CG2 4.24Å
237	D	98.9	Very high	98	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.102	18%	0.175	C	C	.	.			trans	-77.5	176.6	178.4	96.5	-64.1	0	0	0	112.7	P210 L212 F213 G214 R234 E239 L240 M241	P210-D237 HydrophobicContact CB-CB 3.98Å; P210-D237 HydrophobicContact CG-CB 4.49Å; L212-D237 PolarHBondContact O-N 3.01Å; L212-D237 VanDerWaalsContact O-N 3.08Å; F213-D237 WeakPolarHBondContact CA-OD1 3.43Å; F213-D237 HydrophobicContact CD1-CB 3.64Å; F213-D237 HydrophobicContact CE1-CB 4Å; F213-D237 HydrophobicContact CG-CB 4.17Å; G214-D237 PolarHBondContact N-OD1 2.79Å; R234-D237 PolarHBondContact NH2-O 2.72Å; D237-E239 VanDerWaalsContact OD2-CB 3.26Å; D237-E239 WeakPolarHBondContact OD2-CB 3.47Å; D237-E239 PolarHBondContact OD2-N 3.46Å; D237-L240 WeakPolarHBondContact OD1-CB 3.27Å; D237-L240 PolarHBondContact OD1-N 3.05Å; D237-L240 VanDerWaalsContact OD1-N 3.1Å; D237-M241 WeakPolarHBondContact O-CB 3.27Å; D237-M241 VanDerWaalsContact O-CG 3.25Å; D237-M241 WeakPolarHBondContact O-CG 3.4Å; D237-M241 PolarHBondContact O-N 3.13Å
238	D	98.9	Very high	98.2	Very high	59 Å²	59	34.2 Å²	34.2	32%	0.316	17%	0.171	S	C	.	.	H	α-helix	trans	-69.3	-38	-178.8	-88.3	15.4	0	0	0	113.4	R234 M241 K242	R234-D238 IonicContact CZ-OD1 3.5Å; R234-D238 VanDerWaalsContact CZ-OD1 3.24Å; R234-D238 IonicContact NH1-OD1 3.43Å; R234-D238 PolarHBondContact NH1-OD1 2.89Å; R234-D238 IonicContact NH2-OD1 2.67Å; R234-D238 PolarHBondContact NH2-OD1 3.13Å; D238-M241 PolarHBondContact O-N 2.72Å; D238-K242 HydrophobicContact CB-CD 4.5Å; D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.35Å; D238-K242 WeakPolarHBondContact O-CD 3.42Å; D238-K242 VanDerWaalsContact O-CG 3.24Å; D238-K242 WeakPolarHBondContact O-CG 3.46Å; D238-K242 PolarHBondContact O-N 2.97Å; D238-K242 IonicContact OD2-NZ 2.68Å; D238-K242 PolarHBondContact OD2-NZ 3.39Å
239	E	98.8	Very high	98.3	Very high	80 Å²	80	34.2 Å²	34.2	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-51.5	-177.5	-171.2	177.9	124.7	0	0	109.9	E215 D237 M241 K242 E243	E215-E239 WeakPolarHBondContact CA-OE1 3.46Å; E215-E239 PolarHBondContact N-OE1 3.41Å; E215-E239 VanDerWaalsContact N-OE1 3.08Å; D237-E239 VanDerWaalsContact OD2-CB 3.26Å; D237-E239 WeakPolarHBondContact OD2-CB 3.47Å; D237-E239 PolarHBondContact OD2-N 3.46Å; E239-M241 VanDerWaalsContact C-N 3.34Å; E239-M241 PolarHBondContact O-N 2.91Å; E239-K242 PolarHBondContact O-N 2.89Å; E239-E243 WeakPolarHBondContact O-CB 3.32Å; E239-E243 WeakPolarHBondContact O-CG 3.42Å; E239-E243 PolarHBondContact O-N 3.02Å
240	L	98.9	Very high	98.6	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-45.5	177.7	-178.1	56	0	0	0	112	L212 V217 I223 L236 D237 K242 A244 T287 V289	L212-L240 HydrophobicContact CD2-CD2 3.87Å; L212-L240 HydrophobicContact CG-CD2 3.89Å; V217-L240 HydrophobicContact CB-CD1 4.42Å; V217-L240 HydrophobicContact CG1-CD1 4.33Å; V217-L240 HydrophobicContact CG2-CD1 4.05Å; V217-L240 HydrophobicContact CG2-CD2 4.22Å; I223-L240 HydrophobicContact CD1-CD1 4.1Å; L236-L240 HydrophobicContact CB-CD2 4.34Å; L236-L240 HydrophobicContact CD1-CD2 4.18Å; L236-L240 HydrophobicContact CD2-CD2 3.97Å; L236-L240 HydrophobicContact CG-CD2 4.39Å; D237-L240 WeakPolarHBondContact OD1-CB 3.27Å; D237-L240 PolarHBondContact OD1-N 3.05Å; D237-L240 VanDerWaalsContact OD1-N 3.1Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.35Å; L240-A244 HydrophobicContact CD1-CB 4.38Å; L240-A244 WeakPolarHBondContact O-CB 2.96Å; L240-A244 PolarHBondContact O-N 3.25Å; L240-A244 VanDerWaalsContact O-N 3.08Å; L240-T287 HydrophobicContact CD1-CG2 3.96Å; L240-V289 HydrophobicContact CD1-CG2 4.32Å; L240-V289 HydrophobicContact CG-CG2 4.19Å
241	M	98.9	Very high	98.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-30.6	-178	-74	-59.7	-58.7	0	0	113.2	L236 D237 D238 E239 L246 D260 V261 A266 V289	L236-M241 HydrophobicContact CB-CG 3.95Å; L236-M241 HydrophobicContact CB-SD 4.06Å; L236-M241 HydrophobicContact CD1-SD 3.62Å; L236-M241 HydrophobicContact CG-SD 4.43Å; D237-M241 WeakPolarHBondContact O-CB 3.27Å; D237-M241 VanDerWaalsContact O-CG 3.25Å; D237-M241 WeakPolarHBondContact O-CG 3.4Å; D237-M241 PolarHBondContact O-N 3.13Å; D238-M241 PolarHBondContact O-N 2.72Å; E239-M241 VanDerWaalsContact C-N 3.34Å; E239-M241 PolarHBondContact O-N 2.91Å; M241-L246 HydrophobicContact CE-CD1 3.97Å; M241-L246 HydrophobicContact CE-CD2 3.94Å; M241-D260 HydrophobicContact CE-CB 4.28Å; M241-D260 HydrophobicContact SD-CB 4.12Å; M241-V261 HydrophobicContact CE-CG2 4.02Å; M241-A266 HydrophobicContact CB-CB 4.21Å; M241-A266 HydrophobicContact CE-CB 3.86Å; M241-A266 VanDerWaalsContact O-CB 3.29Å; M241-A266 WeakPolarHBondContact O-CB 3.32Å; M241-V289 HydrophobicContact SD-CG1 4.3Å
242	K	98.3	Very high	98.7	Very high	127 Å²	127	39 Å²	39	55%	0.552	19%	0.188	S	C	*	.	H	α-helix	trans	-84.9	-31.5	-179.7	-73.7	169.7	-177	158.5	0	113.3	D238 E239 L240 S264	D238-K242 HydrophobicContact CB-CD 4.5Å; D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.35Å; D238-K242 WeakPolarHBondContact O-CD 3.42Å; D238-K242 VanDerWaalsContact O-CG 3.24Å; D238-K242 WeakPolarHBondContact O-CG 3.46Å; D238-K242 PolarHBondContact O-N 2.97Å; D238-K242 IonicContact OD2-NZ 2.68Å; D238-K242 PolarHBondContact OD2-NZ 3.39Å; E239-K242 PolarHBondContact O-N 2.89Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.35Å; K242-S264 WeakPolarHBondContact CE-O 3.39Å
243	E	98.2	Very high	98.7	Very high	147 Å²	147	35.3 Å²	35.3	69%	0.687	17%	0.169	S	C	*	.	H	α-helix	trans	-90.9	-29.3	-176.2	-66.2	-173.4	-175.4	0	0	113.6	E239	E239-E243 WeakPolarHBondContact O-CB 3.32Å; E239-E243 WeakPolarHBondContact O-CG 3.42Å; E239-E243 PolarHBondContact O-N 3.02Å
244	A	98.8	Very high	98.8	Very high	11 Å²	11	34.6 Å²	34.6	9%	0.091	17%	0.167	C	C	.	.	S	Bend	trans	-74.4	151.1	179.5	0	0	0	0	0	112.2	L240 L246 T287 V289	L240-A244 HydrophobicContact CD1-CB 4.38Å; L240-A244 WeakPolarHBondContact O-CB 2.96Å; L240-A244 PolarHBondContact O-N 3.25Å; L240-A244 VanDerWaalsContact O-N 3.08Å; A244-L246 PolarHBondContact O-N 3.49Å; A244-T287 WeakPolarHBondContact CA-O 3.47Å; A244-T287 HydrophobicContact CB-CG2 4.03Å; A244-V289 HydrophobicContact CB-CB 4.27Å; A244-V289 HydrophobicContact CB-CG2 3.59Å
245	V	98.9	Very high	98.8	Very high	22 Å²	22	38 Å²	38	13%	0.133	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.1	165.5	-173.5	0	0	0	0	108.3	Y247 F269 H283 K286 T287 T288 V289	V245-Y247 HydrophobicContact CB-CE2 3.95Å; V245-Y247 HydrophobicContact CG1-CD2 4.36Å; V245-Y247 HydrophobicContact CG1-CE2 3.52Å; V245-Y247 WeakPolarHBondContact O-CD2 3.46Å; V245-F269 HydrophobicContact CG1-CB 3.77Å; V245-F269 HydrophobicContact CG1-CD1 3.7Å; V245-F269 HydrophobicContact CG1-CD2 4.21Å; V245-F269 HydrophobicContact CG1-CE1 4.36Å; V245-F269 HydrophobicContact CG1-CG 3.61Å; V245-H283 HydrophobicContact CG2-CB 4.13Å; V245-K286 HydrophobicContact CG2-CB 4.09Å; V245-K286 HydrophobicContact CG2-CD 3.7Å; V245-T287 PolarHBondContact N-O 3.32Å; V245-T288 HydrophobicContact CB-CG2 4.32Å; V245-T288 WeakPolarHBondContact O-CA 3.48Å; V245-V289 PolarHBondContact O-N 2.9Å
246	L	98.9	Very high	98.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.7	-174.2	178.1	61.7	0	0	0	112.3	M241 A244 V248 V261 A266 I268 F269 V289 K291	M241-L246 HydrophobicContact CE-CD1 3.97Å; M241-L246 HydrophobicContact CE-CD2 3.94Å; A244-L246 PolarHBondContact O-N 3.49Å; L246-V248 HydrophobicContact CD1-CG1 4.33Å; L246-V248 HydrophobicContact CG-CG1 4.22Å; L246-V261 HydrophobicContact CD2-CG1 4.33Å; L246-V261 HydrophobicContact CD2-CG2 3.97Å; L246-A266 HydrophobicContact CD2-CB 3.93Å; L246-I268 HydrophobicContact CD2-CG1 3.86Å; L246-I268 HydrophobicContact CG-CG1 4.49Å; L246-F269 VanDerWaalsContact O-CB 3.28Å; L246-F269 WeakPolarHBondContact O-CB 3.22Å; L246-F269 PolarHBondContact O-N 2.88Å; L246-V289 HydrophobicContact CD1-CB 4.16Å; L246-V289 HydrophobicContact CD1-CG1 3.87Å; L246-K291 HydrophobicContact CD1-CB 4.19Å
247	Y	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.6	168.1	-58.9	-95.2	0	0	0	109.5	L131 V245 F269 A270 V275 P281 H283 T288 V289 F290 K291	L131-Y247 HydrophobicContact CD1-CD1 4.35Å; L131-Y247 HydrophobicContact CD1-CD2 3.65Å; L131-Y247 HydrophobicContact CD1-CE2 4.18Å; L131-Y247 HydrophobicContact CD1-CG 3.76Å; L131-Y247 HydrophobicContact CD2-CD1 4.3Å; L131-Y247 HydrophobicContact CD2-CD2 3.94Å; L131-Y247 HydrophobicContact CD2-CE1 3.97Å; L131-Y247 HydrophobicContact CD2-CE2 3.59Å; L131-Y247 HydrophobicContact CD2-CG 4.29Å; L131-Y247 HydrophobicContact CG-CD2 4.46Å; V245-Y247 HydrophobicContact CB-CE2 3.95Å; V245-Y247 HydrophobicContact CG1-CD2 4.36Å; V245-Y247 HydrophobicContact CG1-CE2 3.52Å; V245-Y247 WeakPolarHBondContact O-CD2 3.46Å; Y247-F269 HydrophobicContact CD1-CD1 4.33Å; Y247-F269 AromaticContact CE1-CD1 3.63Å; Y247-F269 HydrophobicContact CE1-CD1 3.63Å; Y247-F269 AromaticContact CE1-CE1 3.95Å; Y247-F269 HydrophobicContact CE1-CE1 3.95Å; Y247-F269 AromaticContact CZ-CD1 3.78Å; Y247-A270 VanDerWaalsContact CA-O 3.29Å; Y247-A270 WeakPolarHBondContact CA-O 3.45Å; Y247-A270 HydrophobicContact CD1-CB 3.9Å; Y247-A270 HydrophobicContact CE1-CB 4.06Å; Y247-V275 HydrophobicContact CD1-CG2 3.68Å; Y247-V275 HydrophobicContact CE1-CG2 3.53Å; Y247-P281 PolarHBondContact OH-O 2.71Å; Y247-H283 PolarHBondContact OH-N 2.93Å; Y247-T288 HydrophobicContact CE2-CG2 3.86Å; Y247-V289 PolarHBondContact N-O 3.4Å; Y247-F290 CarbonylContact O-C 3.47Å; Y247-F290 VanDerWaalsContact O-CA 3.31Å; Y247-F290 WeakPolarHBondContact O-CA 3.36Å; Y247-K291 PolarHBondContact O-N 3.38Å
248	V	98.9	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	164.3	177.6	-56.6	0	0	0	0	110.4	L246 Q251 A254 I268 A270 E271 L272 K291	L246-V248 HydrophobicContact CD1-CG1 4.33Å; L246-V248 HydrophobicContact CG-CG1 4.22Å; V248-Q251 HydrophobicContact CG2-CB 4.48Å; V248-A254 HydrophobicContact CB-CB 4.09Å; V248-A254 HydrophobicContact CG1-CB 3.78Å; V248-A254 HydrophobicContact CG2-CB 4.43Å; V248-I268 HydrophobicContact CB-CG2 4.44Å; V248-I268 HydrophobicContact CG1-CD1 4.05Å; V248-I268 HydrophobicContact CG1-CG1 3.93Å; V248-I268 HydrophobicContact CG1-CG2 3.95Å; V248-I268 HydrophobicContact CG2-CD1 4.4Å; V248-I268 HydrophobicContact CG2-CG2 3.61Å; V248-A270 PolarHBondContact N-O 2.83Å; V248-E271 HydrophobicContact CG2-CG 4.1Å; V248-E271 CarbonylContact O-C 3.5Å; V248-E271 VanDerWaalsContact O-CA 3.27Å; V248-E271 WeakPolarHBondContact O-CA 3.44Å; V248-L272 PolarHBondContact O-N 3.22Å; V248-K291 WeakPolarHBondContact CA-O 3.37Å; V248-K291 HydrophobicContact CG1-CB 4.22Å
249	D	98.8	Very high	98.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-76.1	-47	169.3	52.3	1.7	0	0	0	111.6	F290 K291 L293 G294 M295	D249-F290 HydrophobicContact CB-CE2 4.16Å; D249-F290 HydrophobicContact CB-CZ 4.18Å; D249-K291 PolarHBondContact N-O 3.35Å; D249-L293 WeakPolarHBondContact OD2-CA 3.17Å; D249-L293 PolarHBondContact OD2-N 3.38Å; D249-G294 PolarHBondContact OD2-N 3.31Å; D249-M295 HydrophobicContact CB-CE 4.07Å; D249-M295 HydrophobicContact CB-CG 4.24Å; D249-M295 HydrophobicContact CB-SD 4.29Å
250	S	98.9	Very high	98.7	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	17%	0.17	C	C	.	.			trans	-137.5	129.6	171.5	169.5	0	0	0	0	111.1	E252 A253 A254 E271 M295	S250-E252 PolarHBondContact OG-N 3.35Å; S250-A253 PolarHBondContact O-N 3.39Å; S250-A253 PolarHBondContact OG-N 3.45Å; S250-A254 VanDerWaalsContact O-CB 3.31Å; S250-A254 WeakPolarHBondContact O-CB 2.98Å; S250-A254 PolarHBondContact O-N 3.01Å; S250-E271 WeakPolarHBondContact CA-OE1 3.43Å; S250-M295 VanDerWaalsContact CB-SD 3.58Å
251	Q	98.8	Very high	98.7	Very high	98 Å²	98	35.3 Å²	35.3	46%	0.458	17%	0.17	S	C	.	.	H	α-helix	trans	-63	-46	176.6	-168	-168	142.9	0	0	111.5	V248 A253 A254 L255 I268 E271	V248-Q251 HydrophobicContact CG2-CB 4.48Å; Q251-A253 VanDerWaalsContact C-N 3.31Å; Q251-A253 PolarHBondContact O-N 2.84Å; Q251-A254 PolarHBondContact O-N 3.02Å; Q251-L255 HydrophobicContact CG-CD1 3.99Å; Q251-L255 HydrophobicContact CG-CG 4.5Å; Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 VanDerWaalsContact O-CG 3.31Å; Q251-L255 WeakPolarHBondContact O-CG 3.32Å; Q251-L255 PolarHBondContact O-N 3.07Å; Q251-I268 HydrophobicContact CB-CD1 4.48Å; Q251-I268 HydrophobicContact CG-CD1 3.76Å; Q251-I268 HydrophobicContact CG-CG2 4.34Å; Q251-E271 HydrophobicContact CB-CG 4.26Å; Q251-E271 PolarHBondContact N-OE1 3.02Å
252	E	98.6	Very high	98.7	Very high	117 Å²	117	38.6 Å²	38.6	55%	0.547	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-41.7	179	-171.2	-175.7	168.5	0	0	111.4	V46 S250 K256	V46-E252 HydrophobicContact CB-CG 4.21Å; V46-E252 WeakPolarHBondContact CG1-OE1 3.33Å; S250-E252 PolarHBondContact OG-N 3.35Å; E252-K256 WeakPolarHBondContact O-CB 3.12Å; E252-K256 PolarHBondContact O-N 2.78Å
253	A	98.5	Very high	98.7	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-46.2	176.8	0	0	0	0	0	111.6	V46 S250 Q251 L255 K256 E257 L293	V46-A253 HydrophobicContact CG2-CB 4.39Å; S250-A253 PolarHBondContact O-N 3.39Å; S250-A253 PolarHBondContact OG-N 3.45Å; Q251-A253 VanDerWaalsContact C-N 3.31Å; Q251-A253 PolarHBondContact O-N 2.84Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.05Å; A253-K256 PolarHBondContact O-N 2.86Å; A253-E257 WeakPolarHBondContact O-CB 3.47Å; A253-E257 PolarHBondContact O-N 3.5Å; A253-L293 HydrophobicContact CB-CD1 3.88Å; A253-L293 WeakPolarHBondContact O-CD1 3.15Å
254	A	98.6	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-46.4	179.3	0	0	0	0	0	112.3	V248 S250 Q251 K256 S258 V261 I268 L293	V248-A254 HydrophobicContact CB-CB 4.09Å; V248-A254 HydrophobicContact CG1-CB 3.78Å; V248-A254 HydrophobicContact CG2-CB 4.43Å; S250-A254 VanDerWaalsContact O-CB 3.31Å; S250-A254 WeakPolarHBondContact O-CB 2.98Å; S250-A254 PolarHBondContact O-N 3.01Å; Q251-A254 PolarHBondContact O-N 3.02Å; A254-K256 PolarHBondContact O-N 2.74Å; A254-S258 PolarHBondContact O-N 2.65Å; A254-V261 HydrophobicContact CB-CG2 4.48Å; A254-I268 HydrophobicContact CB-CD1 3.73Å; A254-L293 VanDerWaalsContact CA-CD1 3.43Å; A254-L293 HydrophobicContact CB-CD1 4.29Å
255	L	98.6	Very high	98.7	Very high	92 Å²	92	33.1 Å²	33.1	48%	0.482	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-1.8	178	-65.3	175.8	0	0	0	114.3	Q251 A253 V261 L262 I268	Q251-L255 HydrophobicContact CG-CD1 3.99Å; Q251-L255 HydrophobicContact CG-CG 4.5Å; Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 VanDerWaalsContact O-CG 3.31Å; Q251-L255 WeakPolarHBondContact O-CG 3.32Å; Q251-L255 PolarHBondContact O-N 3.07Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.05Å; L255-V261 HydrophobicContact CD2-CG1 4.4Å; L255-L262 WeakPolarHBondContact O-CD2 2.97Å; L255-I268 HydrophobicContact CD2-CD1 3.95Å; L255-I268 HydrophobicContact CG-CD1 3.87Å
256	K	98.2	Very high	98.6	Very high	96 Å²	96	32.7 Å²	32.7	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-115.9	-34	177.7	-176.1	-173.4	-178.6	-172.9	0	112.7	V46 R47 E252 A253 A254	V46-K256 HydrophobicContact CB-CD 4.47Å; V46-K256 HydrophobicContact CG1-CD 4.05Å; V46-K256 HydrophobicContact CG2-CD 3.58Å; R47-K256 PolarHBondContact O-NZ 2.91Å; E252-K256 WeakPolarHBondContact O-CB 3.12Å; E252-K256 PolarHBondContact O-N 2.78Å; A253-K256 PolarHBondContact O-N 2.86Å; A254-K256 PolarHBondContact O-N 2.74Å
257	E	98	Very high	98.6	Very high	9 Å²	9	41 Å²	41	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-123.2	-17.4	-162.4	-57.2	-176.7	121.6	0	0	114.2	R47 S229 R230 P231 A253 L293	R47-E257 IonicContact CZ-OE1 3.5Å; R47-E257 IonicContact CZ-OE2 2.78Å; R47-E257 VanDerWaalsContact CZ-OE2 3.32Å; R47-E257 IonicContact NE-OE1 2.68Å; R47-E257 PolarHBondContact NE-OE1 2.83Å; R47-E257 IonicContact NE-OE2 3.35Å; R47-E257 PolarHBondContact NE-OE2 3.1Å; R47-E257 VanDerWaalsContact NH2-CD 3.27Å; R47-E257 IonicContact NH2-OE1 3.77Å; R47-E257 PolarHBondContact NH2-OE1 3.41Å; R47-E257 IonicContact NH2-OE2 3.65Å; R47-E257 PolarHBondContact NH2-OE2 2.74Å; S229-E257 CarbonylContact C-O 3.55Å; R230-E257 CarbonylContact C-O 3.59Å; R230-E257 WeakPolarHBondContact CA-O 3.33Å; R230-E257 PolarHBondContact N-O 3.03Å; R230-E257 VanDerWaalsContact N-O 3.08Å; P231-E257 VanDerWaalsContact N-O 3.08Å; A253-E257 WeakPolarHBondContact O-CB 3.47Å; A253-E257 PolarHBondContact O-N 3.5Å; E257-L293 HydrophobicContact CB-CD1 3.98Å; E257-L293 HydrophobicContact CB-CD2 4.12Å
258	S	98.6	Very high	98.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.			trans	-97.3	110.4	-177.4	-178.1	0	0	0	0	111.6	A254 D260 V261 L262 K291	A254-S258 PolarHBondContact O-N 2.65Å; S258-D260 VanDerWaalsContact C-N 3.29Å; S258-D260 PolarHBondContact O-N 2.76Å; S258-V261 PolarHBondContact O-N 2.76Å; S258-V261 PolarHBondContact OG-N 2.93Å; S258-L262 WeakPolarHBondContact O-CB 3.47Å; S258-L262 VanDerWaalsContact O-CG 3.29Å; S258-L262 WeakPolarHBondContact O-CG 3.11Å; S258-L262 PolarHBondContact O-N 3.24Å; S258-K291 WeakPolarHBondContact OG-CD 3.34Å; S258-K291 VanDerWaalsContact OG-CE 3.28Å; S258-K291 WeakPolarHBondContact OG-CE 3.37Å
259	G	98.7	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-32.4	171.8	0	0	0	0	0	112.7	R230 P231 W233 V261 L262 L263	R230-G259 PolarHBondContact O-N 3.39Å; P231-G259 WeakPolarHBondContact O-CA 3.42Å; W233-G259 CarbonylContact O-C 3.37Å; W233-G259 WeakPolarHBondContact O-CA 3.42Å; W233-G259 PolarHBondContact O-N 2.93Å; G259-V261 VanDerWaalsContact C-N 3.28Å; G259-V261 PolarHBondContact O-N 2.91Å; G259-L262 PolarHBondContact O-N 3.43Å; G259-L263 WeakPolarHBondContact O-CB 3.25Å; G259-L263 VanDerWaalsContact O-CG 3.31Å; G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.17Å
260	D	98.8	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.8	-44.2	172.3	-64.1	-60.1	0	0	0	111.7	A228 W233 R234 E235 L236 M241 S258 S264 K291	A228-D260 WeakPolarHBondContact CB-OD2 3.18Å; W233-D260 PolarHBondContact O-N 2.87Å; R234-D260 VanDerWaalsContact CA-OD1 3.24Å; R234-D260 WeakPolarHBondContact CA-OD1 3.19Å; R234-D260 WeakPolarHBondContact CB-OD1 3.44Å; E235-D260 PolarHBondContact N-OD1 2.86Å; L236-D260 PolarHBondContact N-OD1 3.09Å; M241-D260 HydrophobicContact CE-CB 4.28Å; M241-D260 HydrophobicContact SD-CB 4.12Å; S258-D260 VanDerWaalsContact C-N 3.29Å; S258-D260 PolarHBondContact O-N 2.76Å; D260-S264 WeakPolarHBondContact O-CB 3.47Å; D260-S264 PolarHBondContact O-OG 3.2Å; D260-K291 HydrophobicContact CB-CD 4.41Å; D260-K291 IonicContact OD2-NZ 3.24Å; D260-K291 PolarHBondContact OD2-NZ 2.75Å
261	V	98.9	Very high	98.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-76.2	-51.1	178.8	178.9	0	0	0	0	111.3	M241 L246 A254 L255 S258 G259 L263 S264 G265 I268 K291	M241-V261 HydrophobicContact CE-CG2 4.02Å; L246-V261 HydrophobicContact CD2-CG1 4.33Å; L246-V261 HydrophobicContact CD2-CG2 3.97Å; A254-V261 HydrophobicContact CB-CG2 4.48Å; L255-V261 HydrophobicContact CD2-CG1 4.4Å; S258-V261 PolarHBondContact O-N 2.76Å; S258-V261 PolarHBondContact OG-N 2.93Å; G259-V261 VanDerWaalsContact C-N 3.28Å; G259-V261 PolarHBondContact O-N 2.91Å; V261-L263 PolarHBondContact O-N 2.89Å; V261-S264 PolarHBondContact O-OG 3.12Å; V261-G265 PolarHBondContact O-N 3.33Å; V261-G265 VanDerWaalsContact O-N 3.12Å; V261-I268 HydrophobicContact CG1-CD1 4.26Å; V261-I268 HydrophobicContact CG1-CG1 4.23Å; V261-K291 HydrophobicContact CG2-CG 4.24Å
262	L	98.8	Very high	98.6	Very high	72 Å²	72	41.7 Å²	41.7	38%	0.377	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-44.4	-173.9	-74.5	171.5	0	0	0	113.3	P231 L255 S258 G259	P231-L262 HydrophobicContact CB-CD1 3.56Å; L255-L262 WeakPolarHBondContact O-CD2 2.97Å; S258-L262 WeakPolarHBondContact O-CB 3.47Å; S258-L262 VanDerWaalsContact O-CG 3.29Å; S258-L262 WeakPolarHBondContact O-CG 3.11Å; S258-L262 PolarHBondContact O-N 3.24Å; G259-L262 PolarHBondContact O-N 3.43Å
263	L	98.7	Very high	98.6	Very high	96 Å²	96	36.1 Å²	36.1	50%	0.503	20%	0.197	S	C	.	.	H	α-helix	trans	-83.4	-26.6	-172.7	-58.7	173.2	0	0	0	112.4	R234 G259 V261	R234-L263 HydrophobicContact CG-CD1 3.85Å; G259-L263 WeakPolarHBondContact O-CB 3.25Å; G259-L263 VanDerWaalsContact O-CG 3.31Å; G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.17Å; V261-L263 PolarHBondContact O-N 2.89Å
264	S	98.6	Very high	98.7	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-79.6	-23.9	173.3	65.9	0	0	0	0	113	K242 D260 V261 A266	K242-S264 WeakPolarHBondContact CE-O 3.39Å; D260-S264 WeakPolarHBondContact O-CB 3.47Å; D260-S264 PolarHBondContact O-OG 3.2Å; V261-S264 PolarHBondContact O-OG 3.12Å; S264-A266 PolarHBondContact O-N 2.83Å; S264-A266 WeakPolarHBondContact OG-CB 3.42Å; S264-A266 PolarHBondContact OG-N 3.24Å
265	G	98.4	Very high	98.7	Very high	65 Å²	65	38 Å²	38	67%	0.67	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	21.9	-171.6	0	0	0	0	0	113.2	V261	V261-G265 PolarHBondContact O-N 3.33Å; V261-G265 VanDerWaalsContact O-N 3.12Å
266	A	98.3	Very high	98.7	Very high	13 Å²	13	35.2 Å²	35.2	11%	0.107	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.6	137.9	179.4	0	0	0	0	0	111.7	M241 L246 S264	M241-A266 HydrophobicContact CB-CB 4.21Å; M241-A266 HydrophobicContact CE-CB 3.86Å; M241-A266 VanDerWaalsContact O-CB 3.29Å; M241-A266 WeakPolarHBondContact O-CB 3.32Å; L246-A266 HydrophobicContact CD2-CB 3.93Å; S264-A266 PolarHBondContact O-N 2.83Å; S264-A266 WeakPolarHBondContact OG-CB 3.42Å; S264-A266 PolarHBondContact OG-N 3.24Å
267	E	98.4	Very high	98.7	Very high	178 Å²	178	36.3 Å²	36.3	83%	0.832	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-82.6	128.1	176.3	-171.6	173.7	-160.8	0	0	110	F269	E267-F269 PolarHBondContact O-N 3.22Å
268	I	98.9	Very high	98.7	Very high	28 Å²	28	38.8 Å²	38.8	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.6	176	-63.5	168.5	0	0	0	108.5	L246 V248 Q251 A254 L255 V261	L246-I268 HydrophobicContact CD2-CG1 3.86Å; L246-I268 HydrophobicContact CG-CG1 4.49Å; V248-I268 HydrophobicContact CB-CG2 4.44Å; V248-I268 HydrophobicContact CG1-CD1 4.05Å; V248-I268 HydrophobicContact CG1-CG1 3.93Å; V248-I268 HydrophobicContact CG1-CG2 3.95Å; V248-I268 HydrophobicContact CG2-CD1 4.4Å; V248-I268 HydrophobicContact CG2-CG2 3.61Å; Q251-I268 HydrophobicContact CB-CD1 4.48Å; Q251-I268 HydrophobicContact CG-CD1 3.76Å; Q251-I268 HydrophobicContact CG-CG2 4.34Å; A254-I268 HydrophobicContact CB-CD1 3.73Å; L255-I268 HydrophobicContact CD2-CD1 3.95Å; L255-I268 HydrophobicContact CG-CD1 3.87Å; V261-I268 HydrophobicContact CG1-CD1 4.26Å; V261-I268 HydrophobicContact CG1-CG1 4.23Å
269	F	98.9	Very high	98.7	Very high	64 Å²	64	43.2 Å²	43.2	28%	0.281	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-46	-179.9	174.8	-101.1	0	0	0	112.7	V245 L246 Y247 E267 K280 P281 H283	V245-F269 HydrophobicContact CG1-CB 3.77Å; V245-F269 HydrophobicContact CG1-CD1 3.7Å; V245-F269 HydrophobicContact CG1-CD2 4.21Å; V245-F269 HydrophobicContact CG1-CE1 4.36Å; V245-F269 HydrophobicContact CG1-CG 3.61Å; L246-F269 VanDerWaalsContact O-CB 3.28Å; L246-F269 WeakPolarHBondContact O-CB 3.22Å; L246-F269 PolarHBondContact O-N 2.88Å; Y247-F269 HydrophobicContact CD1-CD1 4.33Å; Y247-F269 AromaticContact CE1-CD1 3.63Å; Y247-F269 HydrophobicContact CE1-CD1 3.63Å; Y247-F269 AromaticContact CE1-CE1 3.95Å; Y247-F269 HydrophobicContact CE1-CE1 3.95Å; Y247-F269 AromaticContact CZ-CD1 3.78Å; E267-F269 PolarHBondContact O-N 3.22Å; F269-K280 PolarHBondContact O-NZ 3.32Å; F269-P281 HydrophobicContact CE1-CG 4.1Å; F269-P281 HydrophobicContact CZ-CG 3.72Å; F269-H283 AromaticContact CE1-CD2 3.76Å; F269-H283 AromaticContact CE2-NE2 3.92Å; F269-H283 AromaticContact CZ-CD2 3.53Å; F269-H283 AromaticContact CZ-NE2 3.39Å; F269-H283 WeakPolarHBondContact CZ-NE2 3.2Å
270	A	98.9	Very high	98.7	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	154.1	-176.7	0	0	0	0	0	112.2	Y247 V248 E274 V275 K280	Y247-A270 VanDerWaalsContact CA-O 3.29Å; Y247-A270 WeakPolarHBondContact CA-O 3.45Å; Y247-A270 HydrophobicContact CD1-CB 3.9Å; Y247-A270 HydrophobicContact CE1-CB 4.06Å; V248-A270 PolarHBondContact N-O 2.83Å; A270-E274 WeakPolarHBondContact CA-OE2 3.26Å; A270-V275 HydrophobicContact CB-CG2 4.32Å; A270-K280 HydrophobicContact CB-CB 3.7Å; A270-K280 HydrophobicContact CB-CD 4.04Å; A270-K280 HydrophobicContact CB-CG 3.63Å
271	E	98.9	Very high	98.7	Very high	23 Å²	23	49.5 Å²	49.5	11%	0.107	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	149.2	158.6	-61.4	-173.2	155.1	0	0	110.5	S35 V248 S250 Q251 G273 E274 V275	S35-E271 VanDerWaalsContact CB-OE2 3.31Å; S35-E271 WeakPolarHBondContact CB-OE2 3.37Å; S35-E271 WeakPolarHBondContact OG-CB 3.41Å; S35-E271 PolarHBondContact OG-OE2 2.88Å; V248-E271 HydrophobicContact CG2-CG 4.1Å; V248-E271 CarbonylContact O-C 3.5Å; V248-E271 VanDerWaalsContact O-CA 3.27Å; V248-E271 WeakPolarHBondContact O-CA 3.44Å; S250-E271 WeakPolarHBondContact CA-OE1 3.43Å; Q251-E271 HydrophobicContact CB-CG 4.26Å; Q251-E271 PolarHBondContact N-OE1 3.02Å; E271-G273 PolarHBondContact O-N 2.96Å; E271-E274 HydrophobicContact CB-CG 4.24Å; E271-E274 PolarHBondContact N-OE2 2.94Å; E271-E274 WeakPolarHBondContact O-CB 3.23Å; E271-E274 PolarHBondContact O-N 3.03Å; E271-E274 VanDerWaalsContact O-N 3.09Å; E271-V275 PolarHBondContact O-N 2.93Å
272	L	98.9	Very high	98.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-35.3	178.9	-179	60.2	0	0	0	112	L31 V123 I126 A127 V248 E274 V275 I276 F290	L31-L272 HydrophobicContact CD1-CD2 3.91Å; L31-L272 HydrophobicContact CD1-CG 4.42Å; V123-L272 HydrophobicContact CG1-CD2 4.09Å; I126-L272 HydrophobicContact CG2-CD2 4.2Å; A127-L272 HydrophobicContact CB-CD1 4.15Å; A127-L272 HydrophobicContact CB-CD2 3.93Å; V248-L272 PolarHBondContact O-N 3.22Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.23Å; L272-V275 WeakPolarHBondContact O-CB 3.12Å; L272-V275 PolarHBondContact O-N 2.99Å; L272-V275 VanDerWaalsContact O-N 3.15Å; L272-I276 HydrophobicContact CG-CD1 4Å; L272-I276 HydrophobicContact CG-CG1 4.48Å; L272-I276 WeakPolarHBondContact O-CG1 3.32Å; L272-I276 PolarHBondContact O-N 2.93Å; L272-F290 HydrophobicContact CB-CE2 4.03Å; L272-F290 HydrophobicContact CD2-CE1 4.48Å; L272-F290 HydrophobicContact CD2-CE2 3.87Å; L272-F290 HydrophobicContact CD2-CZ 3.86Å
273	G	98.8	Very high	98.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-34.3	175.8	0	0	0	0	0	113.7	L31 S35 E271 V275 I276 K277	L31-G273 WeakPolarHBondContact O-CA 3.4Å; S35-G273 WeakPolarHBondContact OG-CA 3.23Å; E271-G273 PolarHBondContact O-N 2.96Å; G273-V275 VanDerWaalsContact C-N 3.32Å; G273-V275 PolarHBondContact O-N 2.74Å; G273-I276 PolarHBondContact O-N 3.42Å; G273-K277 WeakPolarHBondContact O-CB 3.28Å; G273-K277 PolarHBondContact O-N 3.42Å
274	E	98.9	Very high	98.6	Very high	40 Å²	40	48.1 Å²	48.1	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-35.4	175.4	-60.7	178.3	85.7	0	0	111.8	A270 E271 L272 G278 V279 K280	A270-E274 WeakPolarHBondContact CA-OE2 3.26Å; E271-E274 HydrophobicContact CB-CG 4.24Å; E271-E274 PolarHBondContact N-OE2 2.94Å; E271-E274 WeakPolarHBondContact O-CB 3.23Å; E271-E274 PolarHBondContact O-N 3.03Å; E271-E274 VanDerWaalsContact O-N 3.09Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.23Å; E274-G278 PolarHBondContact O-N 3.43Å; E274-V279 HydrophobicContact CB-CB 4.41Å; E274-V279 PolarHBondContact O-N 3.25Å; E274-K280 HydrophobicContact CB-CB 3.86Å; E274-K280 HydrophobicContact CB-CG 3.55Å; E274-K280 HydrophobicContact CG-CG 4.26Å; E274-K280 PolarHBondContact O-N 2.89Å; E274-K280 VanDerWaalsContact O-N 3.12Å; E274-K280 WeakPolarHBondContact OE1-CE 3.3Å; E274-K280 WeakPolarHBondContact OE1-CG 3.13Å
275	V	98.9	Very high	98.6	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-70.1	-45.6	176.1	-178.5	0	0	0	0	110.6	F130 Y247 A270 E271 L272 G273 K277 G278 K280 A282	F130-V275 HydrophobicContact CB-CG1 4.22Å; F130-V275 HydrophobicContact CD1-CG1 3.98Å; F130-V275 HydrophobicContact CG-CG1 4.29Å; Y247-V275 HydrophobicContact CD1-CG2 3.68Å; Y247-V275 HydrophobicContact CE1-CG2 3.53Å; A270-V275 HydrophobicContact CB-CG2 4.32Å; E271-V275 PolarHBondContact O-N 2.93Å; L272-V275 WeakPolarHBondContact O-CB 3.12Å; L272-V275 PolarHBondContact O-N 2.99Å; L272-V275 VanDerWaalsContact O-N 3.15Å; G273-V275 VanDerWaalsContact C-N 3.32Å; G273-V275 PolarHBondContact O-N 2.74Å; V275-K277 PolarHBondContact O-N 2.65Å; V275-G278 PolarHBondContact O-N 3.48Å; V275-K280 HydrophobicContact CG2-CB 4.15Å; V275-A282 HydrophobicContact CG1-CB 3.88Å
276	I	98.8	Very high	98.6	Very high	34 Å²	34	58.3 Å²	58.3	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-40	177.3	-66.7	163.6	0	0	0	110.8	E28 L31 A32 I126 F130 L272 G273 G278	E28-I276 HydrophobicContact CB-CG2 4.22Å; E28-I276 HydrophobicContact CG-CD1 4.45Å; L31-I276 HydrophobicContact CB-CD1 3.7Å; L31-I276 HydrophobicContact CD1-CD1 3.73Å; L31-I276 HydrophobicContact CG-CD1 4.38Å; A32-I276 HydrophobicContact CB-CB 4.41Å; A32-I276 HydrophobicContact CB-CG2 3.98Å; I126-I276 HydrophobicContact CG2-CD1 3.8Å; I126-I276 HydrophobicContact CG2-CG1 4.27Å; F130-I276 HydrophobicContact CD2-CG1 4.4Å; F130-I276 HydrophobicContact CE2-CG1 3.91Å; F130-I276 HydrophobicContact CZ-CG1 4.17Å; L272-I276 HydrophobicContact CG-CD1 4Å; L272-I276 HydrophobicContact CG-CG1 4.48Å; L272-I276 WeakPolarHBondContact O-CG1 3.32Å; L272-I276 PolarHBondContact O-N 2.93Å; G273-I276 PolarHBondContact O-N 3.42Å; I276-G278 VanDerWaalsContact C-N 3.27Å; I276-G278 PolarHBondContact O-N 3.08Å
277	K	98.3	Very high	98.6	Very high	120 Å²	120	59.1 Å²	59.1	52%	0.522	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.1	177.9	-164.4	174.9	179.3	-179.7	0	113.8	S36 G273 V275 V279	S36-K277 WeakPolarHBondContact OG-CD 3.3Å; S36-K277 PolarHBondContact OG-NZ 2.9Å; G273-K277 WeakPolarHBondContact O-CB 3.28Å; G273-K277 PolarHBondContact O-N 3.42Å; V275-K277 PolarHBondContact O-N 2.65Å; K277-V279 VanDerWaalsContact C-N 3.3Å; K277-V279 HydrophobicContact CB-CG2 4.18Å; K277-V279 HydrophobicContact CD-CG2 4Å; K277-V279 HydrophobicContact CG-CG2 4.02Å; K277-V279 PolarHBondContact O-N 3.44Å
278	G	98.4	Very high	98.6	Very high	61 Å²	61	50.6 Å²	50.6	63%	0.629	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	16.3	-175.8	0	0	0	0	0	114.5	E274 V275 I276	E274-G278 PolarHBondContact O-N 3.43Å; V275-G278 PolarHBondContact O-N 3.48Å; I276-G278 VanDerWaalsContact C-N 3.27Å; I276-G278 PolarHBondContact O-N 3.08Å
279	V	98.4	Very high	98.7	Very high	93 Å²	93	49.3 Å²	49.3	56%	0.564	27%	0.267	S	S	*	.	S	Bend	trans	-77.2	-35.8	174.3	176.2	0	0	0	0	110.6	E274 K277	E274-V279 HydrophobicContact CB-CB 4.41Å; E274-V279 PolarHBondContact O-N 3.25Å; K277-V279 VanDerWaalsContact C-N 3.3Å; K277-V279 HydrophobicContact CB-CG2 4.18Å; K277-V279 HydrophobicContact CD-CG2 4Å; K277-V279 HydrophobicContact CG-CG2 4.02Å; K277-V279 PolarHBondContact O-N 3.44Å
280	K	98.7	Very high	98.7	Very high	66 Å²	66	46.3 Å²	46.3	29%	0.287	25%	0.254	S	S	.	.	S	Bend	trans	-114	143.4	175	-71.1	-77.1	-172.3	149.5	0	110.5	F269 A270 E274 V275	F269-K280 PolarHBondContact O-NZ 3.32Å; A270-K280 HydrophobicContact CB-CB 3.7Å; A270-K280 HydrophobicContact CB-CD 4.04Å; A270-K280 HydrophobicContact CB-CG 3.63Å; E274-K280 HydrophobicContact CB-CB 3.86Å; E274-K280 HydrophobicContact CB-CG 3.55Å; E274-K280 HydrophobicContact CG-CG 4.26Å; E274-K280 PolarHBondContact O-N 2.89Å; E274-K280 VanDerWaalsContact O-N 3.12Å; E274-K280 WeakPolarHBondContact OE1-CE 3.3Å; E274-K280 WeakPolarHBondContact OE1-CG 3.13Å; V275-K280 HydrophobicContact CG2-CB 4.15Å
281	P	98.6	Very high	98.7	Very high	65 Å²	65	46.2 Å²	46.2	42%	0.422	25%	0.253	S	S	.	.			trans	-75.2	153.5	178.6	32.9	-36	0	0	0	111.2	Y247 F269	Y247-P281 PolarHBondContact OH-O 2.71Å; F269-P281 HydrophobicContact CE1-CG 4.1Å; F269-P281 HydrophobicContact CZ-CG 3.72Å
282	A	98.6	Very high	98.7	Very high	38 Å²	38	45.2 Å²	45.2	31%	0.314	25%	0.248	S	C	.	.			trans	-92.9	108.9	166.7	0	0	0	0	0	109.8	F130 L131 V275 C284	F130-A282 WeakPolarHBondContact O-CB 3.39Å; L131-A282 HydrophobicContact CD2-CB 4.03Å; V275-A282 HydrophobicContact CG1-CB 3.88Å; A282-C284 PolarHBondContact O-N 3.11Å
283	H	98.5	Very high	98.6	Very high	66 Å²	66	45.7 Å²	45.7	31%	0.306	25%	0.251	S	S	.	.			trans	-83.5	54	177.3	-69.4	-57.1	0	0	0	112.7	V245 Y247 F269 E285 K286 T288	V245-H283 HydrophobicContact CG2-CB 4.13Å; Y247-H283 PolarHBondContact OH-N 2.93Å; F269-H283 AromaticContact CE1-CD2 3.76Å; F269-H283 AromaticContact CE2-NE2 3.92Å; F269-H283 AromaticContact CZ-CD2 3.53Å; F269-H283 AromaticContact CZ-NE2 3.39Å; F269-H283 WeakPolarHBondContact CZ-NE2 3.2Å; H283-E285 PolarHBondContact O-N 3.29Å; H283-E285 VanDerWaalsContact O-N 3.14Å; H283-K286 HydrophobicContact CB-CB 4.44Å; H283-K286 HydrophobicContact CB-CD 4.25Å; H283-K286 HydrophobicContact CB-CG 4.46Å; H283-K286 PolarHBondContact O-N 2.91Å; H283-T288 WeakPolarHBondContact O-CG2 3.43Å
284	C	97.9	Very high	98.6	Very high	37 Å²	37	45.8 Å²	45.8	25%	0.25	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.9	-172.5	64.2	0	0	0	0	115.6	L131 K132 P133 A282	L131-C284 WeakPolarHBondContact O-CA 3.21Å; L131-C284 WeakPolarHBondContact O-CB 3.36Å; K132-C284 WeakPolarHBondContact O-CB 3.31Å; P133-C284 WeakPolarHBondContact CA-O 3.49Å; A282-C284 PolarHBondContact O-N 3.11Å
285	E	97.9	Very high	98.6	Very high	166 Å²	166	44.1 Å²	44.1	78%	0.776	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.7	172.3	-63.9	-176.9	-179.7	0	0	113.2	H283	H283-E285 PolarHBondContact O-N 3.29Å; H283-E285 VanDerWaalsContact O-N 3.14Å
286	K	98.6	Very high	98.6	Very high	122 Å²	122	44 Å²	44	53%	0.53	24%	0.244	S	C	.	.	S	Bend	trans	-96.5	162.1	174.9	-65.3	-174.9	177.5	-68.2	0	110.1	V245 H283 T288	V245-K286 HydrophobicContact CG2-CB 4.09Å; V245-K286 HydrophobicContact CG2-CD 3.7Å; H283-K286 HydrophobicContact CB-CB 4.44Å; H283-K286 HydrophobicContact CB-CD 4.25Å; H283-K286 HydrophobicContact CB-CG 4.46Å; H283-K286 PolarHBondContact O-N 2.91Å; K286-T288 PolarHBondContact O-N 3.1Å
287	T	98.9	Very high	98.6	Very high	30 Å²	30	42.4 Å²	42.4	18%	0.184	24%	0.236	C	C	.	.			trans	-60.8	127	165.1	-54.8	0	0	0	0	108.2	V217 G220 A221 I223 L240 A244 V245	V217-T287 HydrophobicContact CG1-CG2 3.97Å; G220-T287 PolarHBondContact N-OG1 3.31Å; G220-T287 VanDerWaalsContact N-OG1 3.1Å; A221-T287 WeakPolarHBondContact O-CA 3.49Å; I223-T287 HydrophobicContact CD1-CG2 3.91Å; L240-T287 HydrophobicContact CD1-CG2 3.96Å; A244-T287 WeakPolarHBondContact CA-O 3.47Å; A244-T287 HydrophobicContact CB-CG2 4.03Å; V245-T287 PolarHBondContact N-O 3.32Å
288	T	98.9	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.6	-177.8	57.2	0	0	0	0	110.6	A221 H222 I223 V245 Y247 H283 K286	A221-T288 PolarHBondContact O-N 3.34Å; H222-T288 PolarHBondContact ND1-OG1 3.27Å; I223-T288 VanDerWaalsContact CD1-O 3.25Å; I223-T288 WeakPolarHBondContact CD1-O 3.39Å; I223-T288 PolarHBondContact N-O 3.5Å; V245-T288 HydrophobicContact CB-CG2 4.32Å; V245-T288 WeakPolarHBondContact O-CA 3.48Å; Y247-T288 HydrophobicContact CE2-CG2 3.86Å; H283-T288 WeakPolarHBondContact O-CG2 3.43Å; K286-T288 PolarHBondContact O-N 3.1Å
289	V	99	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.5	171.5	171.4	0	0	0	0	107.4	I223 A225 L236 L240 M241 A244 V245 L246 Y247	I223-V289 HydrophobicContact CB-CG2 4.21Å; I223-V289 HydrophobicContact CD1-CG2 4.2Å; I223-V289 CarbonylContact O-C 3.33Å; I223-V289 WeakPolarHBondContact O-CA 3.45Å; A225-V289 HydrophobicContact CB-CG1 4.19Å; L236-V289 HydrophobicContact CD1-CG1 3.83Å; L236-V289 HydrophobicContact CD1-CG2 4.24Å; L240-V289 HydrophobicContact CD1-CG2 4.32Å; L240-V289 HydrophobicContact CG-CG2 4.19Å; M241-V289 HydrophobicContact SD-CG1 4.3Å; A244-V289 HydrophobicContact CB-CB 4.27Å; A244-V289 HydrophobicContact CB-CG2 3.59Å; V245-V289 PolarHBondContact O-N 2.9Å; L246-V289 HydrophobicContact CD1-CB 4.16Å; L246-V289 HydrophobicContact CD1-CG1 3.87Å; Y247-V289 PolarHBondContact N-O 3.4Å
290	F	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.2	164	169.8	-120.7	0	0	0	108.8	V123 A127 L131 I223 A225 Y247 D249 L272	V123-F290 HydrophobicContact CG1-CE1 3.91Å; V123-F290 HydrophobicContact CG1-CZ 3.63Å; A127-F290 HydrophobicContact CB-CB 3.95Å; A127-F290 HydrophobicContact CB-CD1 3.3Å; A127-F290 HydrophobicContact CB-CD2 4.16Å; A127-F290 HydrophobicContact CB-CE1 3.77Å; A127-F290 HydrophobicContact CB-CG 3.52Å; A127-F290 HydrophobicContact CB-CZ 4.38Å; L131-F290 HydrophobicContact CD1-CB 4.37Å; I223-F290 PolarHBondContact O-N 2.97Å; A225-F290 PolarHBondContact N-O 3.42Å; Y247-F290 CarbonylContact O-C 3.47Å; Y247-F290 VanDerWaalsContact O-CA 3.31Å; Y247-F290 WeakPolarHBondContact O-CA 3.36Å; D249-F290 HydrophobicContact CB-CE2 4.16Å; D249-F290 HydrophobicContact CB-CZ 4.18Å; L272-F290 HydrophobicContact CB-CE2 4.03Å; L272-F290 HydrophobicContact CD2-CE1 4.48Å; L272-F290 HydrophobicContact CD2-CE2 3.87Å; L272-F290 HydrophobicContact CD2-CZ 3.86Å
291	K	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.4	173.9	-175.4	72.3	-152.5	177.4	0	109.5	A225 G227 L246 Y247 V248 D249 S258 D260 V261	A225-K291 HydrophobicContact CB-CD 4.01Å; G227-K291 PolarHBondContact O-NZ 2.83Å; L246-K291 HydrophobicContact CD1-CB 4.19Å; Y247-K291 PolarHBondContact O-N 3.38Å; V248-K291 WeakPolarHBondContact CA-O 3.37Å; V248-K291 HydrophobicContact CG1-CB 4.22Å; D249-K291 PolarHBondContact N-O 3.35Å; S258-K291 WeakPolarHBondContact OG-CD 3.34Å; S258-K291 VanDerWaalsContact OG-CE 3.28Å; S258-K291 WeakPolarHBondContact OG-CE 3.37Å; D260-K291 HydrophobicContact CB-CD 4.41Å; D260-K291 IonicContact OD2-NZ 3.24Å; D260-K291 PolarHBondContact OD2-NZ 2.75Å; V261-K291 HydrophobicContact CG2-CG 4.24Å
292	S	98.8	Very high	98.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	12%	0.122	C	C	.	.			trans	-103.4	128.2	175.9	-171.3	0	0	0	0	110.4	A225	A225-S292 PolarHBondContact O-N 3.4Å
293	L	98.5	Very high	98.7	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.052	11%	0.107	C	C	.	.			trans	-115.4	-13.8	173.3	-73	171.9	0	0	0	112.5	R47 D249 A253 A254 E257	R47-L293 PolarHBondContact NH1-O 3.09Å; R47-L293 PolarHBondContact NH2-O 2.87Å; D249-L293 WeakPolarHBondContact OD2-CA 3.17Å; D249-L293 PolarHBondContact OD2-N 3.38Å; A253-L293 HydrophobicContact CB-CD1 3.88Å; A253-L293 WeakPolarHBondContact O-CD1 3.15Å; A254-L293 VanDerWaalsContact CA-CD1 3.43Å; A254-L293 HydrophobicContact CB-CD1 4.29Å; E257-L293 HydrophobicContact CB-CD1 3.98Å; E257-L293 HydrophobicContact CB-CD2 4.12Å
294	G	97.9	Very high	98.7	Very high	4 Å²	4	20.7 Å²	20.7	4%	0.041	10%	0.103	C	C	.	.			trans	76.8	124.5	-177.2	0	0	0	0	0	112.4	R47 M62 D249	R47-G294 PolarHBondContact NH1-O 3.1Å; M62-G294 WeakPolarHBondContact CE-O 3.43Å; D249-G294 PolarHBondContact OD2-N 3.31Å
295	M	98.7	Very high	98.7	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.025	11%	0.105	C	C	.	.			trans	-103.4	150.9	179.1	-63.8	-166.1	-66.9	0	0	112.2	L31 F34 M62 D249 S250 V297 E298	L31-M295 HydrophobicContact CD2-CE 3.29Å; F34-M295 HydrophobicContact CD1-CE 3.97Å; F34-M295 HydrophobicContact CD1-SD 3.66Å; F34-M295 HydrophobicContact CD2-SD 4.4Å; F34-M295 HydrophobicContact CE1-CE 4.42Å; F34-M295 HydrophobicContact CE1-SD 3.55Å; F34-M295 VanDerWaalsContact CE1-SD 3.55Å; F34-M295 HydrophobicContact CE2-SD 4.31Å; F34-M295 HydrophobicContact CG-CE 4.32Å; F34-M295 HydrophobicContact CG-SD 4.1Å; F34-M295 HydrophobicContact CZ-SD 3.9Å; M62-M295 VanDerWaalsContact CE-C 3.44Å; D249-M295 HydrophobicContact CB-CE 4.07Å; D249-M295 HydrophobicContact CB-CG 4.24Å; D249-M295 HydrophobicContact CB-SD 4.29Å; S250-M295 VanDerWaalsContact CB-SD 3.58Å; M295-V297 VanDerWaalsContact C-N 3.28Å; M295-V297 HydrophobicContact CB-CG1 4.19Å; M295-V297 HydrophobicContact CE-CG1 4.39Å; M295-V297 PolarHBondContact O-N 3.06Å; M295-E298 HydrophobicContact CB-CG 4.1Å; M295-E298 WeakPolarHBondContact CB-OE1 3.32Å; M295-E298 VanDerWaalsContact N-CD 3.33Å; M295-E298 PolarHBondContact N-OE1 2.62Å; M295-E298 WeakPolarHBondContact O-CB 3.44Å; M295-E298 PolarHBondContact O-N 3.43Å
296	A	98.8	Very high	98.7	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	7%	0.068	C	C	.	.	H	α-helix	trans	-62.5	-36.8	179.5	0	0	0	0	0	112	Q44 M62 P63 A64 E298 D299 T300	Q44-A296 HydrophobicContact CG-CB 4.15Å; M62-A296 HydrophobicContact CB-CB 3.83Å; M62-A296 WeakPolarHBondContact O-CB 3.2Å; P63-A296 WeakPolarHBondContact O-CB 3.34Å; A64-A296 HydrophobicContact CB-CB 3.58Å; A296-E298 PolarHBondContact O-N 3.32Å; A296-D299 CarbonylContact O-C 3.59Å; A296-D299 WeakPolarHBondContact O-CA 3.35Å; A296-D299 WeakPolarHBondContact O-CB 3.48Å; A296-D299 PolarHBondContact O-N 3.13Å; A296-T300 PolarHBondContact O-N 2.89Å; A296-T300 PolarHBondContact O-OG1 2.85Å; A296-T300 VanDerWaalsContact O-OG1 3.09Å
297	V	98.8	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.1	-29.9	179.5	73.7	0	0	0	0	112.7	A30 V42 M295 D299 T300 V301	A30-V297 HydrophobicContact CB-CG1 4.45Å; A30-V297 HydrophobicContact CB-CG2 4.05Å; V42-V297 HydrophobicContact CG1-CB 3.96Å; V42-V297 HydrophobicContact CG1-CG2 3.72Å; V42-V297 HydrophobicContact CG2-CG2 4.06Å; M295-V297 VanDerWaalsContact C-N 3.28Å; M295-V297 HydrophobicContact CB-CG1 4.19Å; M295-V297 HydrophobicContact CE-CG1 4.39Å; M295-V297 PolarHBondContact O-N 3.06Å; V297-D299 VanDerWaalsContact C-N 3.32Å; V297-D299 PolarHBondContact O-N 3.24Å; V297-T300 WeakPolarHBondContact O-CB 3.24Å; V297-T300 PolarHBondContact O-N 2.75Å; V297-V301 PolarHBondContact O-N 2.78Å
298	E	98.9	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.7	-38.2	174.2	-58.4	163.6	-156.8	0	0	111.1	L27 R119 V123 M295 A296 V301 A302	L27-E298 HydrophobicContact CD2-CB 3.71Å; L27-E298 HydrophobicContact CD2-CG 4Å; R119-E298 WeakPolarHBondContact CD-OE2 3.35Å; R119-E298 IonicContact CZ-OE2 3.15Å; R119-E298 IonicContact NE-OE2 2.67Å; R119-E298 IonicContact NH1-OE2 2.74Å; R119-E298 PolarHBondContact NH1-OE2 2.85Å; V123-E298 HydrophobicContact CG2-CG 3.99Å; M295-E298 HydrophobicContact CB-CG 4.1Å; M295-E298 WeakPolarHBondContact CB-OE1 3.32Å; M295-E298 VanDerWaalsContact N-CD 3.33Å; M295-E298 PolarHBondContact N-OE1 2.62Å; M295-E298 WeakPolarHBondContact O-CB 3.44Å; M295-E298 PolarHBondContact O-N 3.43Å; A296-E298 PolarHBondContact O-N 3.32Å; E298-V301 WeakPolarHBondContact O-CG2 3.45Å; E298-A302 PolarHBondContact O-N 3.04Å
299	D	98.9	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-73.7	-33.1	174	-51.2	-65.9	0	0	0	111	K75 I115 R119 A296 V297 A303	K75-D299 HydrophobicContact CB-CB 4.35Å; K75-D299 HydrophobicContact CD-CB 4.43Å; K75-D299 WeakPolarHBondContact CD-OD1 3.15Å; K75-D299 WeakPolarHBondContact CD-OD2 3.44Å; K75-D299 WeakPolarHBondContact CE-OD2 3.4Å; K75-D299 IonicContact NZ-OD1 3.5Å; K75-D299 PolarHBondContact NZ-OD1 2.81Å; K75-D299 IonicContact NZ-OD2 3.13Å; K75-D299 PolarHBondContact NZ-OD2 2.93Å; I115-D299 HydrophobicContact CG2-CB 4.45Å; R119-D299 IonicContact NE-OD1 2.84Å; R119-D299 PolarHBondContact NE-OD1 3.23Å; R119-D299 VanDerWaalsContact NE-OD1 3.13Å; A296-D299 CarbonylContact O-C 3.59Å; A296-D299 WeakPolarHBondContact O-CA 3.35Å; A296-D299 WeakPolarHBondContact O-CB 3.48Å; A296-D299 PolarHBondContact O-N 3.13Å; V297-D299 VanDerWaalsContact C-N 3.32Å; V297-D299 PolarHBondContact O-N 3.24Å; D299-A303 WeakPolarHBondContact O-CB 3.36Å; D299-A303 PolarHBondContact O-N 2.79Å
300	T	98.9	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.2	-52	175.6	-55.5	0	0	0	0	111.6	A64 A71 T73 A296 V297 A303 K304	A64-T300 WeakPolarHBondContact CB-OG1 3.32Å; A71-T300 HydrophobicContact CB-CG2 3.55Å; A71-T300 WeakPolarHBondContact O-CG2 3.48Å; T73-T300 HydrophobicContact CG2-CG2 4.11Å; T73-T300 WeakPolarHBondContact OG1-CA 3.34Å; T73-T300 WeakPolarHBondContact OG1-CB 3.32Å; T73-T300 PolarHBondContact OG1-OG1 2.94Å; A296-T300 PolarHBondContact O-N 2.89Å; A296-T300 PolarHBondContact O-OG1 2.85Å; A296-T300 VanDerWaalsContact O-OG1 3.09Å; V297-T300 WeakPolarHBondContact O-CB 3.24Å; V297-T300 PolarHBondContact O-N 2.75Å; T300-A303 PolarHBondContact O-N 3.29Å; T300-K304 WeakPolarHBondContact O-CB 3.38Å; T300-K304 PolarHBondContact O-N 2.96Å
301	V	98.6	Very high	98.4	Very high	4 Å²	4	17 Å²	17	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-67.1	-39.3	-178.4	-62.8	0	0	0	0	112.4	P26 L27 A30 E69 V297 E298 L305	P26-V301 HydrophobicContact CB-CB 4.46Å; L27-V301 HydrophobicContact CD2-CG2 3.53Å; L27-V301 HydrophobicContact CG-CG2 4.07Å; A30-V301 HydrophobicContact CB-CG1 3.78Å; A30-V301 HydrophobicContact CB-CG2 4.5Å; E69-V301 HydrophobicContact CG-CG1 4.27Å; V297-V301 PolarHBondContact O-N 2.78Å; E298-V301 WeakPolarHBondContact O-CG2 3.45Å; V301-L305 WeakPolarHBondContact O-CB 3.39Å; V301-L305 PolarHBondContact O-N 3.47Å
302	A	98.7	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-49.1	176.6	0	0	0	0	0	111.3	L23 I115 E298 K304 L305 I306	L23-A302 HydrophobicContact CD1-CB 4.34Å; L23-A302 HydrophobicContact CD2-CB 3.96Å; I115-A302 HydrophobicContact CG2-CB 3.79Å; E298-A302 PolarHBondContact O-N 3.04Å; A302-K304 VanDerWaalsContact C-N 3.34Å; A302-K304 PolarHBondContact O-N 3.44Å; A302-L305 PolarHBondContact O-N 3.23Å; A302-I306 WeakPolarHBondContact O-CD1 3.33Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.29Å
303	A	98.8	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-40.2	179.7	0	0	0	0	0	112.6	T73 V96 L98 M110 I115 D299 T300 Y307	T73-A303 HydrophobicContact CG2-CB 4.13Å; V96-A303 HydrophobicContact CG1-CB 3.8Å; L98-A303 HydrophobicContact CD1-CB 4.27Å; M110-A303 HydrophobicContact CE-CB 3.99Å; M110-A303 HydrophobicContact SD-CB 3.49Å; M110-A303 WeakPolarHBondContact SD-CB 3.43Å; I115-A303 HydrophobicContact CD1-CB 4.47Å; D299-A303 WeakPolarHBondContact O-CB 3.36Å; D299-A303 PolarHBondContact O-N 2.79Å; T300-A303 PolarHBondContact O-N 3.29Å; A303-Y307 VanDerWaalsContact O-CB 3.31Å; A303-Y307 WeakPolarHBondContact O-CB 3.25Å; A303-Y307 PolarHBondContact O-N 2.86Å
304	K	98.6	Very high	95.6	Very high	50 Å²	50	34.1 Å²	34.1	22%	0.217	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-47.1	176.3	-174.3	64.1	167.5	72.7	0	111.3	A71 T300 A302 I306 Y307 D308	A71-K304 HydrophobicContact CB-CB 4.04Å; A71-K304 HydrophobicContact CB-CD 3.94Å; A71-K304 HydrophobicContact CB-CG 3.99Å; T300-K304 WeakPolarHBondContact O-CB 3.38Å; T300-K304 PolarHBondContact O-N 2.96Å; A302-K304 VanDerWaalsContact C-N 3.34Å; A302-K304 PolarHBondContact O-N 3.44Å; K304-I306 PolarHBondContact O-N 2.92Å; K304-Y307 PolarHBondContact O-N 3.37Å; K304-D308 IonicContact NZ-OD1 2.65Å; K304-D308 PolarHBondContact NZ-OD1 2.68Å; K304-D308 IonicContact NZ-OD2 2.74Å; K304-D308 PolarHBondContact NZ-OD2 3.16Å; K304-D308 WeakPolarHBondContact O-CB 3.33Å; K304-D308 PolarHBondContact O-N 3.49Å
305	L	98.3	Very high	95.5	Very high	56 Å²	56	35.6 Å²	35.6	29%	0.293	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-44.7	178.8	-170.1	150.7	0	0	0	111.8	L17 P26 V301 A302 S309	L17-L305 HydrophobicContact CD1-CD2 4.08Å; P26-L305 HydrophobicContact CG-CD1 4.29Å; V301-L305 WeakPolarHBondContact O-CB 3.39Å; V301-L305 PolarHBondContact O-N 3.47Å; A302-L305 PolarHBondContact O-N 3.23Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.94Å; L305-S309 VanDerWaalsContact O-N 3.08Å
306	I	98.5	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-48.8	175.5	-70.4	156.4	0	0	0	110.9	L8 V13 H16 L17 I115 A302 K304 D308 S309 W310	L8-I306 HydrophobicContact CD2-CG2 3.94Å; V13-I306 HydrophobicContact CG1-CD1 3.78Å; H16-I306 HydrophobicContact CB-CG2 4.1Å; L17-I306 HydrophobicContact CB-CD1 4.15Å; L17-I306 HydrophobicContact CB-CG1 3.86Å; L17-I306 HydrophobicContact CD2-CD1 3.88Å; L17-I306 HydrophobicContact CD2-CG1 4.33Å; I115-I306 HydrophobicContact CD1-CD1 3.74Å; I115-I306 HydrophobicContact CG1-CD1 3.58Å; A302-I306 WeakPolarHBondContact O-CD1 3.33Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.29Å; K304-I306 PolarHBondContact O-N 2.92Å; I306-D308 PolarHBondContact O-N 3.35Å; I306-S309 PolarHBondContact O-N 3.42Å; I306-W310 WeakPolarHBondContact O-CB 3.14Å; I306-W310 PolarHBondContact O-N 3.48Å
307	Y	98.4	Very high	95.2	Very high	36 Å²	36	39.1 Å²	39.1	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-40.6	-176.8	-176.1	-98.4	0	0	0	112.4	L98 L107 A108 A303 K304 W310 S311	L98-Y307 HydrophobicContact CD1-CG 4.2Å; L98-Y307 HydrophobicContact CD2-CD1 4.22Å; L98-Y307 HydrophobicContact CD2-CE1 4.49Å; L98-Y307 HydrophobicContact CD2-CG 4.27Å; L107-Y307 HydrophobicContact CB-CE1 4.5Å; L107-Y307 HydrophobicContact CB-CE2 4.12Å; L107-Y307 HydrophobicContact CD1-CE1 4.07Å; A108-Y307 HydrophobicContact CB-CD2 3.75Å; A108-Y307 HydrophobicContact CB-CE2 3.85Å; A303-Y307 VanDerWaalsContact O-CB 3.31Å; A303-Y307 WeakPolarHBondContact O-CB 3.25Å; A303-Y307 PolarHBondContact O-N 2.86Å; K304-Y307 PolarHBondContact O-N 3.37Å; Y307-W310 HydrophobicContact CD2-CE3 4.27Å; Y307-W310 HydrophobicContact CD2-CZ3 4.49Å; Y307-W310 HydrophobicContact CE2-CE3 4.14Å; Y307-W310 AromaticContact CE2-CZ3 3.94Å; Y307-W310 HydrophobicContact CE2-CZ3 3.94Å; Y307-W310 PolarHBondContact O-N 3.37Å; Y307-S311 VanDerWaalsContact O-CB 3.25Å; Y307-S311 WeakPolarHBondContact O-CB 3.37Å; Y307-S311 PolarHBondContact O-N 3.19Å; Y307-S311 PolarHBondContact O-OG 2.73Å
308	D	97.8	Very high	94.9	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-43.3	176.3	-68.5	-15.5	0	0	0	111	K304 I306 S311 S312	K304-D308 IonicContact NZ-OD1 2.65Å; K304-D308 PolarHBondContact NZ-OD1 2.68Å; K304-D308 IonicContact NZ-OD2 2.74Å; K304-D308 PolarHBondContact NZ-OD2 3.16Å; K304-D308 WeakPolarHBondContact O-CB 3.33Å; K304-D308 PolarHBondContact O-N 3.49Å; I306-D308 PolarHBondContact O-N 3.35Å; D308-S311 PolarHBondContact O-OG 2.85Å; D308-S312 WeakPolarHBondContact O-CB 3.5Å; D308-S312 PolarHBondContact O-N 3.34Å; D308-S312 VanDerWaalsContact O-N 3.11Å; D308-S312 PolarHBondContact O-OG 3.2Å
309	S	97.6	Very high	94.7	Very high	52 Å²	52	43.9 Å²	43.9	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-48.2	175.2	-175.5	0	0	0	0	111.9	H16 L305 I306	H16-S309 PolarHBondContact ND1-OG 3Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.94Å; L305-S309 VanDerWaalsContact O-N 3.08Å; I306-S309 PolarHBondContact O-N 3.42Å
310	W	98.1	Very high	94.4	Very high	30 Å²	30	46.9 Å²	46.9	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-42.7	-179.4	174.7	90.6	0	0	0	112.9	A6 L8 H16 I306 Y307 S312 G313 K314	A6-W310 HydrophobicContact CB-CH2 3.26Å; A6-W310 HydrophobicContact CB-CZ2 3.79Å; A6-W310 HydrophobicContact CB-CZ3 3.97Å; L8-W310 HydrophobicContact CD1-CD2 4.37Å; L8-W310 HydrophobicContact CD1-CZ2 4.12Å; L8-W310 HydrophobicContact CD2-CB 4.13Å; L8-W310 HydrophobicContact CD2-CD2 4.16Å; L8-W310 HydrophobicContact CD2-CG 3.85Å; L8-W310 HydrophobicContact CG-CD2 4.37Å; L8-W310 HydrophobicContact CG-CG 4.36Å; H16-W310 AromaticContact CD2-CD1 3.87Å; H16-W310 VanDerWaalsContact CE1-CA 3.46Å; H16-W310 WeakPolarHBondContact CE1-CA 3.33Å; H16-W310 AromaticContact NE2-CD1 3.59Å; I306-W310 WeakPolarHBondContact O-CB 3.14Å; I306-W310 PolarHBondContact O-N 3.48Å; Y307-W310 HydrophobicContact CD2-CE3 4.27Å; Y307-W310 HydrophobicContact CD2-CZ3 4.49Å; Y307-W310 HydrophobicContact CE2-CE3 4.14Å; Y307-W310 AromaticContact CE2-CZ3 3.94Å; Y307-W310 HydrophobicContact CE2-CZ3 3.94Å; Y307-W310 PolarHBondContact O-N 3.37Å; W310-S312 VanDerWaalsContact C-N 3.34Å; W310-G313 PolarHBondContact O-N 2.92Å; W310-K314 HydrophobicContact CE3-CD 4.5Å; W310-K314 HydrophobicContact CH2-CD 4.05Å; W310-K314 HydrophobicContact CZ2-CD 4.26Å; W310-K314 HydrophobicContact CZ3-CD 4.17Å
311	S	96.2	Very high	94.1	Very high	43 Å²	43	50.2 Å²	50.2	30%	0.301	29%	0.292	S	S	.	.	H	α-helix	trans	-74.6	-25.7	-177.3	61	0	0	0	0	112.8	Y307 D308 G313 K314	Y307-S311 VanDerWaalsContact O-CB 3.25Å; Y307-S311 WeakPolarHBondContact O-CB 3.37Å; Y307-S311 PolarHBondContact O-N 3.19Å; Y307-S311 PolarHBondContact O-OG 2.73Å; D308-S311 PolarHBondContact O-OG 2.85Å; S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 2.93Å; S311-K314 PolarHBondContact O-N 2.81Å
312	S	93	Very high	93.7	Very high	100 Å²	100	53.8 Å²	53.8	70%	0.699	31%	0.313	S	S	*	.	H	α-helix	trans	-71.1	-22.1	174.4	-60.5	0	0	0	0	113.5	D308 W310 K314	D308-S312 WeakPolarHBondContact O-CB 3.5Å; D308-S312 PolarHBondContact O-N 3.34Å; D308-S312 VanDerWaalsContact O-N 3.11Å; D308-S312 PolarHBondContact O-OG 3.2Å; W310-S312 VanDerWaalsContact C-N 3.34Å; S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 3.35Å
313	G	78.1	Confident	93.3	Very high	72 Å²	72	58.3 Å²	58.3	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	3.9	176.4	0	0	0	0	0	114.6	W310 S311	W310-G313 PolarHBondContact O-N 2.92Å; S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 2.93Å
314	K	66.8	Low	92.8	Very high	198 Å²	198	63.5 Å²	63.5	86%	0.861	37%	0.369	S	S	*	.			trans	-107.4	0	-175.8	-71.3	-169.3	168.3	-162.7	0	114	W310 S311 S312	W310-K314 HydrophobicContact CE3-CD 4.5Å; W310-K314 HydrophobicContact CH2-CD 4.05Å; W310-K314 HydrophobicContact CZ2-CD 4.26Å; W310-K314 HydrophobicContact CZ3-CD 4.17Å; S311-K314 PolarHBondContact O-N 2.81Å; S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 3.35Å

Retrieved 314 of 314 residues in 839.7 ms (Link to these results)

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