A0A087XRL9_POEFO Loading...

Cytosol aminopeptidase

Cytosolic metallopeptidase that catalyzes the removal of unsubstituted N-terminal hydrophobic amino acids from various peptides. The presence of Zn(2+) ions is essential for the peptidase activity, and the association with other cofactors can modulate the substrate spectificity of the enzyme. For instance, in the presence of Mn(2+), it displays a specific Cys-Gly hydrolyzing activity of Cys-Gly-S-conjugates. Involved in the metabolism of glutathione and in the degradation of glutathione S-conjugates, which may play a role in the control of the cell redox status.

AlphaFold DB , UniProt , Accession A0A087XRL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 516 aa.

Structure Viewer

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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	36.5	Very low	32.1	Very low	240 Å²	240	152.4 Å²	152.4	100%	1.182	84%	0.841	S	S	*	*				0	-178.9	0	-77.1	176.6	170.3	0	0	109.1
2	L	31.4	Very low	32.1	Very low	154 Å²	154	150.4 Å²	150.4	81%	0.806	84%	0.836	S	S	*	*			trans	-50.2	141.4	-171.8	-77.5	67.7	0	0	0	113
3	V	32.4	Very low	31.9	Very low	119 Å²	119	157.2 Å²	157.2	72%	0.721	84%	0.841	S	S	*	*				67.1	118.8	58.8	178.8	0	0	0	0	110
4	V	34.2	Very low	32.1	Very low	125 Å²	125	159.5 Å²	159.5	76%	0.758	84%	0.839	S	S	*	*				-158	132.7	79.8	175.5	0	0	0	0	107
5	R	35	Very low	31.8	Very low	228 Å²	228	163.6 Å²	163.6	86%	0.86	84%	0.841	S	S	*	*				44.5	159.5	91.3	-65.9	170.4	172.3	176.3	-2.7	114.4
6	K	33.8	Very low	31.8	Very low	198 Å²	198	163.4 Å²	163.4	86%	0.861	84%	0.841	S	S	*	*			cis	-157.9	169.2	-0.9	-131.6	-170.4	178.4	-174.4	0	104.4
7	A	30.6	Very low	31.6	Very low	80 Å²	80	161.6 Å²	161.6	66%	0.661	85%	0.845	S	S	*	*			cis	-153.6	165.2	-2.7	0	0	0	0	0	105.7
8	A	30.5	Very low	31.4	Very low	96 Å²	96	165.2 Å²	165.2	79%	0.793	85%	0.845	S	S	*	*			cis	78.1	95.4	28.3	0	0	0	0	0	116.4
9	Q	28.6	Very low	31.1	Very low	198 Å²	198	163 Å²	163	93%	0.925	84%	0.843	S	S	*	*			trans	-150.5	146.2	154.6	-119.7	179	8.3	0	0	111
10	T	30.2	Very low	31.1	Very low	136 Å²	136	164.7 Å²	164.7	83%	0.834	84%	0.844	S	S	*	*			trans	-137.2	134.2	-168	-51.2	0	0	0	0	110.6
11	A	29.8	Very low	31.1	Very low	102 Å²	102	161.7 Å²	161.7	84%	0.843	84%	0.838	S	S	*	*			trans	-154.3	133.7	161.3	0	0	0	0	0	110.9
12	V	32.7	Very low	31	Very low	129 Å²	129	153.9 Å²	153.9	78%	0.782	81%	0.811	S	S	*	*			trans	-120.9	132.4	174.3	173.2	0	0	0	0	108.8
13	R	28.8	Very low	31	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	80%	0.8	S	S	*	*			trans	-147.3	122.5	158.9	-121.8	175.1	-178.7	178.3	-0.1	110.6
14	K	35	Very low	31	Very low	189 Å²	189	153.2 Å²	153.2	82%	0.822	81%	0.805	S	S	*	*			trans	-74.6	143.5	172.5	-66.6	177.8	176.2	178.8	0	109.9
15	Y	27.6	Very low	31.1	Very low	221 Å²	221	152.7 Å²	152.7	87%	0.867	80%	0.802	S	S	*	*			trans	-145.1	157.4	139.1	-94.4	-68.4	0	0	0	109.6
16	L	32.3	Very low	31.1	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	79%	0.793	S	S	*	*			trans	-87.8	141.7	-170.8	-58	95.2	0	0	0	112
17	C	27.7	Very low	31.5	Very low	133 Å²	133	146.6 Å²	146.6	90%	0.899	80%	0.795	S	S	*	*			trans	-148.6	160.1	145	-104.9	0	0	0	0	110.7
18	R	27.7	Very low	32.5	Very low	226 Å²	226	150.4 Å²	150.4	85%	0.853	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-55.8	147.3	-169.5	-64.4	170.6	173.6	165.6	-4.3	112.4	F20	R18-F20 PolarHBondContact O-N 3.43Å; R18-F20 VanDerWaalsContact O-N 3.13Å
19	P	26.6	Very low	34.1	Very low	123 Å²	123	152 Å²	152	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60.8	117.9	152.2	29.1	-31	0	0	0	107	S21	P19-S21 PolarHBondContact O-N 3.25Å
20	F	30.1	Very low	36.6	Very low	196 Å²	196	149 Å²	149	86%	0.86	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-61.5	123.4	158.2	-110.6	-95.2	0	0	0	106.1	R18 A22	R18-F20 PolarHBondContact O-N 3.43Å; R18-F20 VanDerWaalsContact O-N 3.13Å; F20-A22 PolarHBondContact O-N 2.65Å
21	S	32.5	Very low	39.7	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	75%	0.747	S	S	*	*			trans	-65.7	93.4	164.8	-173.4	0	0	0	0	106.2	P19 S23	P19-S21 PolarHBondContact O-N 3.25Å; S21-S23 PolarHBondContact O-N 2.69Å
22	A	32.6	Very low	42.9	Very low	76 Å²	76	141.4 Å²	141.4	63%	0.628	71%	0.707	S	S	*	*			trans	-62.6	87.1	152.6	0	0	0	0	0	105.1	F20 H24	F20-A22 PolarHBondContact O-N 2.65Å; A22-H24 PolarHBondContact O-N 3.12Å
23	S	31.4	Very low	46.1	Very low	82 Å²	82	135.3 Å²	135.3	57%	0.573	67%	0.669	S	S	*	*			trans	-56.9	101.3	163.8	51.5	0	0	0	0	105.5	S21 T25	S21-S23 PolarHBondContact O-N 2.69Å; S23-T25 PolarHBondContact O-N 3.29Å
24	H	32.5	Very low	49.4	Very low	177 Å²	177	123.9 Å²	123.9	82%	0.819	63%	0.626	S	S	*	*			trans	-62.6	75	152.1	-73.3	-85.6	0	0	0	106.2	A22 N26	A22-H24 PolarHBondContact O-N 3.12Å; H24-N26 PolarHBondContact O-N 3.2Å
25	T	36.6	Very low	52.4	Low	113 Å²	113	114.9 Å²	114.9	69%	0.693	59%	0.587	S	S	*	*			trans	-52.7	105.7	149	48.2	0	0	0	0	103.9	S23 L27	S23-T25 PolarHBondContact O-N 3.29Å; T25-L27 PolarHBondContact O-N 2.71Å
26	N	35.7	Very low	55.8	Low	125 Å²	125	104.4 Å²	104.4	67%	0.668	55%	0.546	S	S	*	.			trans	-42	136.8	158.6	-85.2	-39.4	0	0	0	106.4	H24 Q28	H24-N26 PolarHBondContact O-N 3.2Å; N26-Q28 HydrophobicContact CB-CG 3.91Å; N26-Q28 PolarHBondContact O-N 2.94Å
27	L	42	Very low	58.9	Low	173 Å²	173	96.7 Å²	96.7	91%	0.906	51%	0.506	S	S	*	.			trans	-71.1	64.7	157.4	-74.9	163.4	0	0	0	106.8	T25 E29	T25-L27 PolarHBondContact O-N 2.71Å; L27-E29 PolarHBondContact O-N 3.49Å
28	Q	51.2	Low	62.1	Low	160 Å²	160	90.7 Å²	90.7	75%	0.748	47%	0.465	S	S	*	.			trans	-47.5	126.8	165.4	-85.9	172.8	-45.3	0	0	105.7	N26 R30	N26-Q28 HydrophobicContact CB-CG 3.91Å; N26-Q28 PolarHBondContact O-N 2.94Å; Q28-R30 PolarHBondContact O-N 3.38Å
29	E	65.1	Low	65.2	Low	129 Å²	129	82.7 Å²	82.7	60%	0.603	44%	0.437	S	S	*	.			trans	-52	119.2	-172.8	-57.2	-177.2	115.2	0	0	108.3	L27 K31 H136	L27-E29 PolarHBondContact O-N 3.49Å; E29-K31 PolarHBondContact O-N 3.05Å; E29-H136 VanDerWaalsContact CD-CE1 3.41Å; E29-H136 IonicContact OE1-CE1 3.7Å; E29-H136 PolarHBondContact OE1-CE1 3.48Å; E29-H136 IonicContact OE1-ND1 2.88Å; E29-H136 IonicContact OE2-CE1 3.97Å; E29-H136 PolarHBondContact OE2-CE1 2.97Å; E29-H136 IonicContact OE2-ND1 2.88Å; E29-H136 PolarHBondContact OE2-ND1 2.96Å
30	R	81.5	Confident	67.8	Low	137 Å²	137	81.3 Å²	81.3	52%	0.517	42%	0.418	S	S	.	.			trans	-59.8	106.4	-172.9	-83.2	-175.9	170.5	-166.8	-5.4	108	Q28 L132 V134 S135 H136	Q28-R30 PolarHBondContact O-N 3.38Å; R30-L132 PolarHBondContact NH1-O 2.82Å; R30-L132 VanDerWaalsContact NH1-O 3.12Å; R30-V134 HydrophobicContact CB-CG2 4.46Å; R30-V134 WeakPolarHBondContact O-CG1 3.46Å; R30-S135 PolarHBondContact O-N 2.72Å; R30-H136 PolarHBondContact O-N 2.81Å
31	K	94.4	Very high	69.6	Low	78 Å²	78	76.5 Å²	76.5	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.1	168.1	-77.9	-165.9	170.3	-153.1	0	109.6	E29 D89 F90 P91 H136 E138	E29-K31 PolarHBondContact O-N 3.05Å; K31-D89 VanDerWaalsContact CB-O 3.25Å; K31-D89 WeakPolarHBondContact CB-O 3.41Å; K31-F90 HydrophobicContact CB-CD1 4.17Å; K31-F90 HydrophobicContact CB-CE1 4.46Å; K31-F90 HydrophobicContact CD-CE1 4.17Å; K31-P91 WeakPolarHBondContact O-CD 3.32Å; K31-H136 CarbonylContact C-O 3.58Å; K31-H136 VanDerWaalsContact CA-O 3.28Å; K31-H136 WeakPolarHBondContact CA-O 3.34Å; K31-H136 HydrophobicContact CG-CB 4.34Å; K31-E138 IonicContact NZ-OE1 2.62Å; K31-E138 PolarHBondContact NZ-OE1 2.91Å
32	G	97.9	Very high	70.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162.7	165.6	0	0	0	0	0	110.5	C92 H136 V137 E138	G32-C92 WeakPolarHBondContact CA-O 3.37Å; G32-H136 PolarHBondContact N-O 3.04Å; G32-V137 WeakPolarHBondContact O-CA 3.48Å; G32-E138 PolarHBondContact O-N 2.95Å
33	L	98.6	Very high	72.3	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.3	179.8	-176.5	63.8	0	0	0	109.3	L35 F56 F90 C92 V93 A94 E138 H175	L33-L35 HydrophobicContact CD1-CD2 4.29Å; L33-L35 HydrophobicContact CD2-CD1 3.94Å; L33-L35 HydrophobicContact CD2-CD2 3.91Å; L33-L35 HydrophobicContact CD2-CG 3.91Å; L33-L35 HydrophobicContact CG-CD1 4.45Å; L33-L35 HydrophobicContact CG-CD2 3.95Å; L33-L35 HydrophobicContact CG-CG 3.91Å; L33-F56 HydrophobicContact CD2-CD1 4.25Å; L33-F56 HydrophobicContact CD2-CD2 3.55Å; L33-F56 HydrophobicContact CD2-CE1 4.12Å; L33-F56 HydrophobicContact CD2-CE2 3.43Å; L33-F56 VanDerWaalsContact CD2-CE2 3.43Å; L33-F56 HydrophobicContact CD2-CG 3.96Å; L33-F56 HydrophobicContact CD2-CZ 3.71Å; L33-F90 HydrophobicContact CB-CB 4.18Å; L33-F90 HydrophobicContact CB-CD1 3.72Å; L33-F90 HydrophobicContact CB-CE1 4.26Å; L33-F90 HydrophobicContact CB-CG 3.94Å; L33-F90 HydrophobicContact CD1-CE1 4.4Å; L33-F90 HydrophobicContact CD2-CD2 4.24Å; L33-F90 HydrophobicContact CD2-CG 4.28Å; L33-C92 PolarHBondContact N-O 2.93Å; L33-C92 VanDerWaalsContact N-O 3.12Å; L33-V93 HydrophobicContact CB-CG1 4.38Å; L33-V93 HydrophobicContact CB-CG2 4.3Å; L33-V93 CarbonylContact O-C 3.43Å; L33-V93 WeakPolarHBondContact O-CA 3.28Å; L33-A94 PolarHBondContact O-N 3.24Å; L33-E138 CarbonylContact C-O 3.47Å; L33-E138 WeakPolarHBondContact CA-O 3.21Å; L33-E138 HydrophobicContact CD1-CB 3.76Å; L33-H175 HydrophobicContact CD1-CB 3.97Å
34	V	98.8	Very high	73.2	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.4	169.5	178.5	0	0	0	0	108.4	A94 V96 V122 L129 V137 E138 V139 D140	V34-A94 WeakPolarHBondContact CA-O 3.42Å; V34-A94 HydrophobicContact CG2-CB 4.49Å; V34-V96 HydrophobicContact CG1-CG1 3.87Å; V34-V96 HydrophobicContact CG1-CG2 4.01Å; V34-V122 HydrophobicContact CG1-CG2 4.5Å; V34-L129 HydrophobicContact CG2-CD1 3.64Å; V34-V137 HydrophobicContact CG2-CG1 3.78Å; V34-E138 PolarHBondContact N-O 2.7Å; V34-V139 HydrophobicContact CB-CG1 4.46Å; V34-V139 HydrophobicContact CB-CG2 4.42Å; V34-V139 HydrophobicContact CG2-CG2 4.49Å; V34-D140 WeakPolarHBondContact O-CB 3.28Å; V34-D140 PolarHBondContact O-N 2.99Å
35	L	98.7	Very high	74.6	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.1	-179.9	-68	179.7	0	0	0	110.8	L33 A53 F56 L64 V93 A94 V95 V96 D140	L33-L35 HydrophobicContact CD1-CD2 4.29Å; L33-L35 HydrophobicContact CD2-CD1 3.94Å; L33-L35 HydrophobicContact CD2-CD2 3.91Å; L33-L35 HydrophobicContact CD2-CG 3.91Å; L33-L35 HydrophobicContact CG-CD1 4.45Å; L33-L35 HydrophobicContact CG-CD2 3.95Å; L33-L35 HydrophobicContact CG-CG 3.91Å; L35-A53 HydrophobicContact CB-CB 4Å; L35-A53 HydrophobicContact CD1-CB 4.28Å; L35-A53 HydrophobicContact CD2-CB 4.24Å; L35-A53 HydrophobicContact CG-CB 4.39Å; L35-F56 HydrophobicContact CD1-CB 4.07Å; L35-F56 HydrophobicContact CD1-CD1 3.47Å; L35-F56 VanDerWaalsContact CD1-CD1 3.47Å; L35-F56 HydrophobicContact CD1-CE1 4.06Å; L35-F56 HydrophobicContact CD1-CG 3.89Å; L35-L64 HydrophobicContact CD1-CD2 3.65Å; L35-V93 HydrophobicContact CD1-CG1 3.88Å; L35-V93 HydrophobicContact CG-CG1 4.3Å; L35-A94 PolarHBondContact N-O 2.95Å; L35-V95 CarbonylContact O-C 3.55Å; L35-V95 VanDerWaalsContact O-CA 3.28Å; L35-V95 WeakPolarHBondContact O-CA 3.37Å; L35-V96 PolarHBondContact O-N 3.43Å; L35-D140 HydrophobicContact CD2-CB 4.24Å
36	G	98.1	Very high	76.2	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	147.7	178.3	0	0	0	0	0	113.6	T50 D140	G36-T50 WeakPolarHBondContact O-CG2 3.32Å; G36-T50 PolarHBondContact O-N 3.24Å; G36-T50 PolarHBondContact O-OG1 3.34Å; G36-D140 PolarHBondContact N-OD2 2.88Å
37	V	97.4	Very high	78.6	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.9	164.1	-62.1	0	0	0	0	111	V47 H48 L49 L68 L75 V95 V96 L98	V37-V47 HydrophobicContact CB-CB 4.26Å; V37-V47 HydrophobicContact CG2-CB 4.45Å; V37-V47 HydrophobicContact CG2-CG1 4.34Å; V37-H48 CarbonylContact C-O 3.49Å; V37-H48 VanDerWaalsContact CA-O 3.25Å; V37-H48 WeakPolarHBondContact CA-O 3.22Å; V37-H48 WeakPolarHBondContact CB-O 3.27Å; V37-L49 HydrophobicContact CG1-CD2 3.51Å; V37-L68 HydrophobicContact CG1-CD1 4.44Å; V37-L75 HydrophobicContact CG2-CB 3.74Å; V37-L75 HydrophobicContact CG2-CD1 4.06Å; V37-V95 HydrophobicContact CB-CG1 4.34Å; V37-V95 HydrophobicContact CG1-CG1 3.54Å; V37-V95 HydrophobicContact CG2-CG1 3.87Å; V37-V96 PolarHBondContact N-O 3.1Å; V37-L98 WeakPolarHBondContact O-CB 3.4Å; V37-L98 PolarHBondContact O-N 3.04Å
38	F	95.7	Very high	81	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	152	172.3	-60	-74.4	0	0	0	111.2	V47 H48 T50 L98 G99 E101	F38-V47 WeakPolarHBondContact O-CA 3.18Å; F38-H48 HydrophobicContact CB-CB 4.4Å; F38-H48 PolarHBondContact N-O 3.43Å; F38-H48 PolarHBondContact O-N 3.17Å; F38-T50 HydrophobicContact CE2-CG2 3.98Å; F38-T50 HydrophobicContact CZ-CG2 4.5Å; F38-L98 HydrophobicContact CD1-CB 3.54Å; F38-L98 HydrophobicContact CD1-CD1 3.94Å; F38-L98 HydrophobicContact CD1-CG 4.36Å; F38-L98 HydrophobicContact CD2-CD1 4.43Å; F38-L98 HydrophobicContact CE1-CB 3.61Å; F38-L98 HydrophobicContact CE1-CD1 3.46Å; F38-L98 VanDerWaalsContact CE1-CD1 3.46Å; F38-L98 HydrophobicContact CE1-CG 4.19Å; F38-L98 HydrophobicContact CE2-CD1 4.02Å; F38-L98 HydrophobicContact CG-CB 4.38Å; F38-L98 HydrophobicContact CG-CD1 4.39Å; F38-L98 HydrophobicContact CZ-CD1 3.5Å; F38-L98 VanDerWaalsContact CZ-CD1 3.5Å; F38-G99 CarbonylContact C-O 3.6Å; F38-G99 WeakPolarHBondContact CA-O 3.39Å; F38-E101 HydrophobicContact CB-CB 4.12Å; F38-E101 HydrophobicContact CD1-CB 3.72Å; F38-E101 HydrophobicContact CD1-CG 4.22Å; F38-E101 HydrophobicContact CD2-CB 3.98Å; F38-E101 HydrophobicContact CD2-CG 4.02Å; F38-E101 HydrophobicContact CE1-CB 4.1Å; F38-E101 HydrophobicContact CE1-CG 4.13Å; F38-E101 HydrophobicContact CE2-CB 4.32Å; F38-E101 HydrophobicContact CE2-CG 3.91Å; F38-E101 HydrophobicContact CG-CB 3.67Å; F38-E101 HydrophobicContact CG-CG 4.19Å; F38-E101 HydrophobicContact CZ-CB 4.39Å; F38-E101 HydrophobicContact CZ-CG 3.97Å
39	E	91.1	Very high	83.2	Confident	58 Å²	58	63.1 Å²	63.1	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.6	168.3	-64.8	174.6	-161.6	0	0	109.1	K76 K77 G99	E39-K76 WeakPolarHBondContact OE1-CA 3.43Å; E39-K77 PolarHBondContact OE1-N 3.05Å; E39-G99 PolarHBondContact N-O 3.1Å
40	K	81.3	Confident	84.7	Confident	93 Å²	93	57.4 Å²	57.4	40%	0.404	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-78.3	123.2	-179.6	-174.7	177	170.3	-168.1	0	110.5	G42 E43 G46	K40-G42 PolarHBondContact O-N 3.28Å; K40-E43 HydrophobicContact CD-CB 4.36Å; K40-E43 WeakPolarHBondContact CD-OE2 3.49Å; K40-E43 VanDerWaalsContact CE-CD 3.46Å; K40-E43 VanDerWaalsContact CE-OE1 3.32Å; K40-E43 WeakPolarHBondContact CE-OE1 3.25Å; K40-E43 WeakPolarHBondContact CE-OE2 3.37Å; K40-E43 IonicContact NZ-OE1 2.92Å; K40-E43 PolarHBondContact NZ-OE1 3.39Å; K40-E43 IonicContact NZ-OE2 2.61Å; K40-E43 PolarHBondContact NZ-OE2 3.02Å; K40-E43 PolarHBondContact O-N 3.19Å; K40-G46 WeakPolarHBondContact CB-O 3.36Å; K40-G46 PolarHBondContact N-O 3.07Å
41	D	67.8	Low	85.4	Confident	95 Å²	95	57.1 Å²	57.1	51%	0.508	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	123.8	177.4	-87.1	-46.8	0	0	0	111.3	K100	D41-K100 WeakPolarHBondContact OD1-CE 3.37Å; D41-K100 IonicContact OD1-NZ 2.69Å; D41-K100 PolarHBondContact OD1-NZ 3.17Å
42	G	61.8	Low	85.5	Confident	86 Å²	86	53.5 Å²	53.5	89%	0.887	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-8.8	175.9	0	0	0	0	0	116.8	K40	K40-G42 PolarHBondContact O-N 3.28Å
43	E	59.9	Low	85.5	Confident	104 Å²	104	53.6 Å²	53.6	49%	0.486	28%	0.284	S	S	.	.			trans	-128.2	116.5	-179.7	-75.6	173.9	-151.1	0	0	111.5	K40 E45 G46	K40-E43 HydrophobicContact CD-CB 4.36Å; K40-E43 WeakPolarHBondContact CD-OE2 3.49Å; K40-E43 VanDerWaalsContact CE-CD 3.46Å; K40-E43 VanDerWaalsContact CE-OE1 3.32Å; K40-E43 WeakPolarHBondContact CE-OE1 3.25Å; K40-E43 WeakPolarHBondContact CE-OE2 3.37Å; K40-E43 IonicContact NZ-OE1 2.92Å; K40-E43 PolarHBondContact NZ-OE1 3.39Å; K40-E43 IonicContact NZ-OE2 2.61Å; K40-E43 PolarHBondContact NZ-OE2 3.02Å; K40-E43 PolarHBondContact O-N 3.19Å; E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.12Å; E43-G46 PolarHBondContact O-N 3.19Å
44	E	52.2	Low	85.5	Confident	185 Å²	185	55.6 Å²	55.6	86%	0.864	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	-174.8	-62.2	-161	118	0	0	114.9
45	E	60.8	Low	85.4	Confident	158 Å²	158	61.2 Å²	61.2	74%	0.738	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-6	-177.4	-56.9	-166.5	140.4	0	0	113.6	E43	E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.12Å
46	G	71.1	Confident	85.3	Confident	14 Å²	14	61.6 Å²	61.6	14%	0.144	32%	0.323	C	S	.	.			trans	-82.5	144.4	-175.8	0	0	0	0	0	113.9	K40 E43	K40-G46 WeakPolarHBondContact CB-O 3.36Å; K40-G46 PolarHBondContact N-O 3.07Å; E43-G46 PolarHBondContact O-N 3.19Å
47	V	85.9	Confident	85.3	Confident	49 Å²	49	62.3 Å²	62.3	30%	0.297	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.9	169.4	-63.2	0	0	0	0	110.9	V37 F38	V37-V47 HydrophobicContact CB-CB 4.26Å; V37-V47 HydrophobicContact CG2-CB 4.45Å; V37-V47 HydrophobicContact CG2-CG1 4.34Å; F38-V47 WeakPolarHBondContact O-CA 3.18Å
48	H	92.6	Very high	85.3	Confident	109 Å²	109	69.6 Å²	69.6	51%	0.505	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.6	169.2	-169.4	58.6	0	0	0	109.4	V37 F38 E101	V37-H48 CarbonylContact C-O 3.49Å; V37-H48 VanDerWaalsContact CA-O 3.25Å; V37-H48 WeakPolarHBondContact CA-O 3.22Å; V37-H48 WeakPolarHBondContact CB-O 3.27Å; F38-H48 HydrophobicContact CB-CB 4.4Å; F38-H48 PolarHBondContact N-O 3.43Å; F38-H48 PolarHBondContact O-N 3.17Å; H48-E101 IonicContact CD2-OE2 3.14Å
49	L	96.2	Very high	85.4	Confident	24 Å²	24	72.9 Å²	72.9	13%	0.126	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.9	178.3	-57.6	-172.6	0	0	0	110.1	V37 A53 A54 D57 L68	V37-L49 HydrophobicContact CG1-CD2 3.51Å; L49-A53 HydrophobicContact CB-CB 3.98Å; L49-A53 HydrophobicContact CD2-CB 4.42Å; L49-A54 HydrophobicContact CB-CB 4.09Å; L49-A54 HydrophobicContact CD1-CB 4.43Å; L49-D57 HydrophobicContact CD1-CB 3.73Å; L49-L68 HydrophobicContact CD2-CD1 4.03Å
50	T	97.1	Very high	85.7	Confident	8 Å²	8	71.3 Å²	71.3	5%	0.049	38%	0.378	C	S	.	.			trans	-63.4	166.2	164	59.1	0	0	0	0	110.9	G36 F38 A52 A53 A54 L98 D140	G36-T50 WeakPolarHBondContact O-CG2 3.32Å; G36-T50 PolarHBondContact O-N 3.24Å; G36-T50 PolarHBondContact O-OG1 3.34Å; F38-T50 HydrophobicContact CE2-CG2 3.98Å; F38-T50 HydrophobicContact CZ-CG2 4.5Å; T50-A52 VanDerWaalsContact C-N 3.26Å; T50-A52 PolarHBondContact O-N 2.83Å; T50-A53 PolarHBondContact O-N 2.92Å; T50-A53 WeakPolarHBondContact OG1-CB 3.33Å; T50-A53 PolarHBondContact OG1-N 2.82Å; T50-A54 VanDerWaalsContact O-CB 3.27Å; T50-A54 WeakPolarHBondContact O-CB 3.34Å; T50-A54 PolarHBondContact O-N 2.8Å; T50-L98 HydrophobicContact CG2-CD1 3.78Å; T50-D140 WeakPolarHBondContact CB-OD2 3.25Å; T50-D140 WeakPolarHBondContact CG2-OD2 3.18Å; T50-D140 PolarHBondContact OG1-OD2 3.32Å
51	E	96.4	Very high	86.4	Confident	131 Å²	131	72.7 Å²	72.7	61%	0.612	40%	0.399	S	S	*	.	H	α-helix	trans	-58.9	-37.6	176.1	-165.1	-166.3	133.1	0	0	112.4	R55	E51-R55 WeakPolarHBondContact O-CB 3.19Å; E51-R55 WeakPolarHBondContact O-CG 3.45Å; E51-R55 PolarHBondContact O-N 3.32Å; E51-R55 VanDerWaalsContact O-N 3.07Å; E51-R55 PolarHBondContact O-NE 3.34Å; E51-R55 VanDerWaalsContact O-NE 3.17Å; E51-R55 IonicContact OE1-CZ 2.73Å; E51-R55 IonicContact OE1-NE 3.72Å; E51-R55 IonicContact OE1-NH1 3.63Å; E51-R55 PolarHBondContact OE1-NH1 3.16Å; E51-R55 IonicContact OE1-NH2 3.88Å; E51-R55 PolarHBondContact OE1-NH2 2.87Å
52	A	96.9	Very high	87.8	Confident	3 Å²	3	69.5 Å²	69.5	3%	0.025	39%	0.389	C	S	.	.	H	α-helix	trans	-66.8	-47.1	174.3	0	0	0	0	0	111.9	T50 A54 R55 F56 D140	T50-A52 VanDerWaalsContact C-N 3.26Å; T50-A52 PolarHBondContact O-N 2.83Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.57Å; A52-R55 PolarHBondContact O-N 3.01Å; A52-F56 WeakPolarHBondContact O-CB 3.5Å; A52-F56 PolarHBondContact O-N 3.27Å; A52-D140 HydrophobicContact CB-CB 4.21Å; A52-D140 WeakPolarHBondContact CB-OD1 3.41Å
53	A	97.5	Very high	89.5	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-36	178.2	0	0	0	0	0	112.5	L35 L49 T50 F56 D57	L35-A53 HydrophobicContact CB-CB 4Å; L35-A53 HydrophobicContact CD1-CB 4.28Å; L35-A53 HydrophobicContact CD2-CB 4.24Å; L35-A53 HydrophobicContact CG-CB 4.39Å; L49-A53 HydrophobicContact CB-CB 3.98Å; L49-A53 HydrophobicContact CD2-CB 4.42Å; T50-A53 PolarHBondContact O-N 2.92Å; T50-A53 WeakPolarHBondContact OG1-CB 3.33Å; T50-A53 PolarHBondContact OG1-N 2.82Å; A53-F56 PolarHBondContact O-N 3.22Å; A53-D57 WeakPolarHBondContact O-CB 3.33Å; A53-D57 PolarHBondContact O-N 3.04Å
54	A	97.5	Very high	91.2	Very high	43 Å²	43	64.7 Å²	64.7	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-67.4	-43.7	176.2	0	0	0	0	0	112.3	L49 T50 A52 F56 D57 Q58	L49-A54 HydrophobicContact CB-CB 4.09Å; L49-A54 HydrophobicContact CD1-CB 4.43Å; T50-A54 VanDerWaalsContact O-CB 3.27Å; T50-A54 WeakPolarHBondContact O-CB 3.34Å; T50-A54 PolarHBondContact O-N 2.8Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.57Å; A54-F56 VanDerWaalsContact C-N 3.31Å; A54-F56 PolarHBondContact O-N 3.27Å; A54-D57 PolarHBondContact O-N 3.15Å; A54-Q58 WeakPolarHBondContact O-CB 3.29Å; A54-Q58 PolarHBondContact O-N 3.26Å
55	R	97	Very high	93.3	Very high	118 Å²	118	57.5 Å²	57.5	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-37.8	173.2	-75.6	179	-67.2	-157.8	3	112.2	E51 A52 Q58 S59	E51-R55 WeakPolarHBondContact O-CB 3.19Å; E51-R55 WeakPolarHBondContact O-CG 3.45Å; E51-R55 PolarHBondContact O-N 3.32Å; E51-R55 VanDerWaalsContact O-N 3.07Å; E51-R55 PolarHBondContact O-NE 3.34Å; E51-R55 VanDerWaalsContact O-NE 3.17Å; E51-R55 IonicContact OE1-CZ 2.73Å; E51-R55 IonicContact OE1-NE 3.72Å; E51-R55 IonicContact OE1-NH1 3.63Å; E51-R55 PolarHBondContact OE1-NH1 3.16Å; E51-R55 IonicContact OE1-NH2 3.88Å; E51-R55 PolarHBondContact OE1-NH2 2.87Å; A52-R55 PolarHBondContact O-N 3.01Å; R55-Q58 PolarHBondContact O-N 3.41Å; R55-S59 PolarHBondContact O-N 2.77Å
56	F	97.4	Very high	95	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-71.3	-38	176.3	-172.8	-96.1	0	0	0	112.8	L33 L35 A52 A53 A54 Q58 S59 L60 L64 I86 H87 F90 V93	L33-F56 HydrophobicContact CD2-CD1 4.25Å; L33-F56 HydrophobicContact CD2-CD2 3.55Å; L33-F56 HydrophobicContact CD2-CE1 4.12Å; L33-F56 HydrophobicContact CD2-CE2 3.43Å; L33-F56 VanDerWaalsContact CD2-CE2 3.43Å; L33-F56 HydrophobicContact CD2-CG 3.96Å; L33-F56 HydrophobicContact CD2-CZ 3.71Å; L35-F56 HydrophobicContact CD1-CB 4.07Å; L35-F56 HydrophobicContact CD1-CD1 3.47Å; L35-F56 VanDerWaalsContact CD1-CD1 3.47Å; L35-F56 HydrophobicContact CD1-CE1 4.06Å; L35-F56 HydrophobicContact CD1-CG 3.89Å; A52-F56 WeakPolarHBondContact O-CB 3.5Å; A52-F56 PolarHBondContact O-N 3.27Å; A53-F56 PolarHBondContact O-N 3.22Å; A54-F56 VanDerWaalsContact C-N 3.31Å; A54-F56 PolarHBondContact O-N 3.27Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-S59 PolarHBondContact O-N 2.94Å; F56-S59 PolarHBondContact O-OG 2.76Å; F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.43Å; F56-L60 VanDerWaalsContact CE1-CD1 3.43Å; F56-L60 HydrophobicContact CE1-CG 4.37Å; F56-L60 HydrophobicContact CZ-CD1 3.95Å; F56-L60 WeakPolarHBondContact O-CG 3.48Å; F56-L60 PolarHBondContact O-N 2.86Å; F56-L64 HydrophobicContact CD1-CD2 4.05Å; F56-I86 HydrophobicContact CE1-CD1 3.97Å; F56-I86 HydrophobicContact CE1-CG1 4.47Å; F56-H87 HydrophobicContact CE2-CB 4Å; F56-H87 AromaticContact CE2-CD2 3.82Å; F56-H87 AromaticContact CE2-CG 3.84Å; F56-H87 HydrophobicContact CZ-CB 3.6Å; F56-H87 AromaticContact CZ-CG 3.99Å; F56-F90 AromaticContact CE2-CD2 3.83Å; F56-F90 HydrophobicContact CE2-CD2 3.83Å; F56-F90 HydrophobicContact CE2-CE2 4.46Å; F56-F90 HydrophobicContact CZ-CB 4.49Å; F56-F90 HydrophobicContact CZ-CD2 4.46Å; F56-V93 HydrophobicContact CE1-CG1 4.3Å; F56-V93 HydrophobicContact CE1-CG2 4.08Å; F56-V93 HydrophobicContact CZ-CG2 3.91Å
57	D	97.9	Very high	96.2	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-35.6	172	-169.8	39.5	0	0	0	111.6	L49 A53 A54 L60 S61 G62 K63 L64 S65	L49-D57 HydrophobicContact CD1-CB 3.73Å; A53-D57 WeakPolarHBondContact O-CB 3.33Å; A53-D57 PolarHBondContact O-N 3.04Å; A54-D57 PolarHBondContact O-N 3.15Å; D57-L60 CarbonylContact O-C 3.54Å; D57-L60 VanDerWaalsContact O-C 3.26Å; D57-L60 WeakPolarHBondContact O-CA 3.22Å; D57-L60 PolarHBondContact O-N 3.03Å; D57-L60 VanDerWaalsContact O-N 3.15Å; D57-S61 PolarHBondContact O-N 3.22Å; D57-G62 PolarHBondContact O-N 3.46Å; D57-G62 WeakPolarHBondContact OD1-CA 3.37Å; D57-K63 PolarHBondContact OD1-N 3.33Å; D57-L64 HydrophobicContact CB-CB 4.11Å; D57-L64 VanDerWaalsContact OD1-CA 3.32Å; D57-L64 WeakPolarHBondContact OD1-CA 3.41Å; D57-L64 VanDerWaalsContact OD1-CB 3.25Å; D57-L64 WeakPolarHBondContact OD1-CB 3.41Å; D57-L64 PolarHBondContact OD1-N 3.26Å; D57-S65 PolarHBondContact OD1-N 2.83Å; D57-S65 WeakPolarHBondContact OD2-CB 3.36Å; D57-S65 PolarHBondContact OD2-OG 3.46Å
58	Q	97.6	Very high	96.6	Very high	154 Å²	154	54.7 Å²	54.7	72%	0.72	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-42.1	174.8	-171	-178.5	18	0	0	112.5	A54 R55 F56 L60 S61	A54-Q58 WeakPolarHBondContact O-CB 3.29Å; A54-Q58 PolarHBondContact O-N 3.26Å; R55-Q58 PolarHBondContact O-N 3.41Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.46Å; Q58-S61 PolarHBondContact O-N 2.88Å; Q58-S61 VanDerWaalsContact O-N 3.09Å
59	S	96.9	Very high	96.6	Very high	75 Å²	75	57.4 Å²	57.4	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-68.3	-18.3	174.2	71.6	0	0	0	0	113.1	R55 F56	R55-S59 PolarHBondContact O-N 2.77Å; F56-S59 PolarHBondContact O-N 2.94Å; F56-S59 PolarHBondContact O-OG 2.76Å
60	L	97.3	Very high	96.5	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.136	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	11.2	171.8	-64.8	-175.7	0	0	0	113.9	F56 D57 Q58 G62 K63 I86 H87	F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.43Å; F56-L60 VanDerWaalsContact CE1-CD1 3.43Å; F56-L60 HydrophobicContact CE1-CG 4.37Å; F56-L60 HydrophobicContact CZ-CD1 3.95Å; F56-L60 WeakPolarHBondContact O-CG 3.48Å; F56-L60 PolarHBondContact O-N 2.86Å; D57-L60 CarbonylContact O-C 3.54Å; D57-L60 VanDerWaalsContact O-C 3.26Å; D57-L60 WeakPolarHBondContact O-CA 3.22Å; D57-L60 PolarHBondContact O-N 3.03Å; D57-L60 VanDerWaalsContact O-N 3.15Å; Q58-L60 PolarHBondContact O-N 3.46Å; L60-G62 VanDerWaalsContact C-N 3.29Å; L60-G62 PolarHBondContact O-N 3Å; L60-K63 HydrophobicContact CB-CB 4.2Å; L60-K63 WeakPolarHBondContact O-CB 3.26Å; L60-K63 PolarHBondContact O-N 2.81Å; L60-I86 HydrophobicContact CD1-CB 4.15Å; L60-I86 HydrophobicContact CD1-CD1 3.88Å; L60-I86 HydrophobicContact CD1-CG1 4Å; L60-I86 WeakPolarHBondContact CD2-O 3.44Å; L60-H87 HydrophobicContact CD2-CB 4.14Å
61	S	97.1	Very high	96.3	Very high	121 Å²	121	63.8 Å²	63.8	85%	0.846	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.2	179.8	-57.4	0	0	0	0	115	D57 Q58	D57-S61 PolarHBondContact O-N 3.22Å; Q58-S61 PolarHBondContact O-N 2.88Å; Q58-S61 VanDerWaalsContact O-N 3.09Å
62	G	96.6	Very high	95.9	Very high	29 Å²	29	59.2 Å²	59.2	30%	0.299	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	2.5	178.2	0	0	0	0	0	115.4	D57 L60 L64 S65 E66	D57-G62 PolarHBondContact O-N 3.46Å; D57-G62 WeakPolarHBondContact OD1-CA 3.37Å; L60-G62 VanDerWaalsContact C-N 3.29Å; L60-G62 PolarHBondContact O-N 3Å; G62-L64 VanDerWaalsContact C-N 3.35Å; G62-L64 PolarHBondContact O-N 2.86Å; G62-S65 PolarHBondContact O-N 3.17Å; G62-E66 PolarHBondContact O-N 3.31Å
63	K	97.3	Very high	95.5	Very high	88 Å²	88	62.9 Å²	62.9	38%	0.383	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-26.7	-174.9	-175.8	-178.5	176.2	-174.1	0	114	D57 L60 L67	D57-K63 PolarHBondContact OD1-N 3.33Å; L60-K63 HydrophobicContact CB-CB 4.2Å; L60-K63 WeakPolarHBondContact O-CB 3.26Å; L60-K63 PolarHBondContact O-N 2.81Å; K63-L67 HydrophobicContact CG-CD1 4.03Å; K63-L67 HydrophobicContact CG-CG 4.46Å; K63-L67 WeakPolarHBondContact O-CB 3.46Å; K63-L67 WeakPolarHBondContact O-CD1 3.43Å; K63-L67 VanDerWaalsContact O-CG 3.22Å; K63-L67 WeakPolarHBondContact O-CG 3.15Å; K63-L67 PolarHBondContact O-N 3.37Å
64	L	96.8	Very high	94.9	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-72.5	-41.8	173.4	-178.3	63.2	0	0	0	110.1	L35 F56 D57 G62 E66 L67 L68 F83 I86 V95	L35-L64 HydrophobicContact CD1-CD2 3.65Å; F56-L64 HydrophobicContact CD1-CD2 4.05Å; D57-L64 HydrophobicContact CB-CB 4.11Å; D57-L64 VanDerWaalsContact OD1-CA 3.32Å; D57-L64 WeakPolarHBondContact OD1-CA 3.41Å; D57-L64 VanDerWaalsContact OD1-CB 3.25Å; D57-L64 WeakPolarHBondContact OD1-CB 3.41Å; D57-L64 PolarHBondContact OD1-N 3.26Å; G62-L64 VanDerWaalsContact C-N 3.35Å; G62-L64 PolarHBondContact O-N 2.86Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 2.83Å; L64-L68 HydrophobicContact CD1-CD1 4.47Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 2.84Å; L64-F83 HydrophobicContact CD1-CD2 3.85Å; L64-F83 HydrophobicContact CD1-CE2 4.15Å; L64-F83 HydrophobicContact CD1-CG 4.3Å; L64-I86 HydrophobicContact CD1-CD1 3.83Å; L64-V95 HydrophobicContact CD1-CG2 3.88Å; L64-V95 HydrophobicContact CD2-CG2 4.3Å
65	S	95.6	Very high	94.6	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-37.1	172.8	-74.4	0	0	0	0	112.8	D57 G62 K69	D57-S65 PolarHBondContact OD1-N 2.83Å; D57-S65 WeakPolarHBondContact OD2-CB 3.36Å; D57-S65 PolarHBondContact OD2-OG 3.46Å; G62-S65 PolarHBondContact O-N 3.17Å; S65-K69 WeakPolarHBondContact O-CG 3.36Å; S65-K69 PolarHBondContact O-N 3.07Å
66	E	95.7	Very high	94.4	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-54.2	172.5	-171	-163.4	155.4	0	0	111.1	G62 L64 L68 K69 I70	G62-E66 PolarHBondContact O-N 3.31Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 3.33Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.16Å; E66-K69 PolarHBondContact O-N 3.41Å; E66-I70 HydrophobicContact CG-CD1 3.95Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.07Å
67	L	96.3	Very high	94.2	Very high	43 Å²	43	66.1 Å²	66.1	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-31.2	-178	-71	169.9	0	0	0	113.1	K63 L64 K69 I70 A71 F83 I86	K63-L67 HydrophobicContact CG-CD1 4.03Å; K63-L67 HydrophobicContact CG-CG 4.46Å; K63-L67 WeakPolarHBondContact O-CB 3.46Å; K63-L67 WeakPolarHBondContact O-CD1 3.43Å; K63-L67 VanDerWaalsContact O-CG 3.22Å; K63-L67 WeakPolarHBondContact O-CG 3.15Å; K63-L67 PolarHBondContact O-N 3.37Å; L64-L67 PolarHBondContact O-N 2.83Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-I70 HydrophobicContact CD2-CD1 4.44Å; L67-I70 PolarHBondContact O-N 3.18Å; L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.02Å; L67-A71 PolarHBondContact O-N 2.98Å; L67-F83 HydrophobicContact CB-CD1 3.83Å; L67-F83 HydrophobicContact CB-CE1 3.71Å; L67-F83 HydrophobicContact CD1-CD1 4.37Å; L67-I86 HydrophobicContact CD1-CG2 3.49Å; L67-I86 VanDerWaalsContact CD1-CG2 3.49Å
68	L	94.8	Very high	94.1	Very high	8 Å²	8	66 Å²	66	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-40.1	173.6	-84.2	165.3	0	0	0	112.2	V37 L49 L64 E66 L75 R81 F83 V95	V37-L68 HydrophobicContact CG1-CD1 4.44Å; L49-L68 HydrophobicContact CD2-CD1 4.03Å; L64-L68 HydrophobicContact CD1-CD1 4.47Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 2.84Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.16Å; L68-L75 HydrophobicContact CD2-CD1 4.03Å; L68-R81 PolarHBondContact O-NH1 3Å; L68-F83 HydrophobicContact CD2-CE2 3.81Å; L68-F83 HydrophobicContact CD2-CZ 3.79Å; L68-F83 HydrophobicContact CG-CE2 4.15Å; L68-F83 HydrophobicContact CG-CZ 4.03Å; L68-V95 HydrophobicContact CD1-CG1 4.41Å; L68-V95 HydrophobicContact CD2-CB 4.28Å; L68-V95 HydrophobicContact CD2-CG1 4.03Å; L68-V95 HydrophobicContact CD2-CG2 4.41Å
69	K	92.8	Very high	94	Very high	166 Å²	166	65.2 Å²	65.2	72%	0.722	37%	0.365	S	S	*	.	H	α-helix	trans	-69.5	-44.7	174.8	-66.8	167.3	-177	175.5	0	111.7	S65 E66 L67 A71 G72	S65-K69 WeakPolarHBondContact O-CG 3.36Å; S65-K69 PolarHBondContact O-N 3.07Å; E66-K69 PolarHBondContact O-N 3.41Å; L67-K69 VanDerWaalsContact C-N 3.34Å; K69-A71 PolarHBondContact O-N 2.79Å; K69-G72 PolarHBondContact O-N 3.45Å
70	I	94.4	Very high	94	Very high	122 Å²	122	63.8 Å²	63.8	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-60.4	-32.7	176.4	-67.2	168	0	0	0	111.3	E66 L67 G72	E66-I70 HydrophobicContact CG-CD1 3.95Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.07Å; L67-I70 HydrophobicContact CD2-CD1 4.44Å; L67-I70 PolarHBondContact O-N 3.18Å; I70-G72 PolarHBondContact O-N 2.55Å
71	A	92	Very high	94	Very high	44 Å²	44	65.1 Å²	65.1	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	5.2	177	0	0	0	0	0	115	L67 K69 R81 F83	L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.02Å; L67-A71 PolarHBondContact O-N 2.98Å; K69-A71 PolarHBondContact O-N 2.79Å; A71-R81 PolarHBondContact O-NE 3.3Å; A71-R81 PolarHBondContact O-NH1 3.04Å; A71-R81 PolarHBondContact O-NH2 3.47Å; A71-R81 VanDerWaalsContact O-NH2 3.17Å; A71-F83 HydrophobicContact CB-CE1 4.16Å; A71-F83 HydrophobicContact CB-CZ 4.21Å
72	G	88.7	Confident	94	Very high	34 Å²	34	61.5 Å²	61.5	35%	0.351	33%	0.325	S	S	.	.			trans	87.9	-155.7	175.5	0	0	0	0	0	114.4	K69 I70 R81	K69-G72 PolarHBondContact O-N 3.45Å; I70-G72 PolarHBondContact O-N 2.55Å; G72-R81 PolarHBondContact O-NH1 3.41Å
73	P	88.1	Confident	94.1	Very high	81 Å²	81	61 Å²	61	53%	0.526	32%	0.315	S	S	.	.	S	Bend	trans	-62.9	171.6	-158.4	25.5	-36.9	0	0	0	115	R81	P73-R81 VanDerWaalsContact O-CZ 3.27Å; P73-R81 PolarHBondContact O-NH1 3.36Å; P73-R81 PolarHBondContact O-NH2 2.84Å
74	G	84.4	Confident	94.1	Very high	15 Å²	15	63.6 Å²	63.6	16%	0.155	32%	0.323	C	S	.	.			trans	-51.7	141.4	-176.6	0	0	0	0	0	114.7	K76	G74-K76 PolarHBondContact O-N 3.46Å
75	L	91.9	Very high	94	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.031	35%	0.351	C	S	.	.			trans	-78.1	90.3	-179	-108.3	177.2	0	0	0	111	V37 L68 K79 R81 V95 G97	V37-L75 HydrophobicContact CG2-CB 3.74Å; V37-L75 HydrophobicContact CG2-CD1 4.06Å; L68-L75 HydrophobicContact CD2-CD1 4.03Å; L75-K79 HydrophobicContact CD2-CB 3.89Å; L75-R81 HydrophobicContact CD1-CB 4.22Å; L75-R81 HydrophobicContact CD1-CG 4.2Å; L75-R81 HydrophobicContact CD2-CG 4.17Å; L75-R81 HydrophobicContact CG-CG 4.28Å; L75-V95 HydrophobicContact CD1-CB 3.97Å; L75-V95 HydrophobicContact CD1-CG1 3.69Å; L75-G97 VanDerWaalsContact O-CA 3.27Å; L75-G97 WeakPolarHBondContact O-CA 3.37Å
76	K	92.9	Very high	94	Very high	138 Å²	138	65.2 Å²	65.2	60%	0.6	34%	0.342	S	S	*	.			trans	-62.4	152.4	-179.2	-57.7	-165.6	178.4	-167.3	0	113.2	E39 G74 G78 K79	E39-K76 WeakPolarHBondContact OE1-CA 3.43Å; G74-K76 PolarHBondContact O-N 3.46Å; K76-G78 PolarHBondContact O-N 3.41Å; K76-K79 WeakPolarHBondContact O-CB 3.27Å; K76-K79 WeakPolarHBondContact O-CG 3.45Å; K76-K79 PolarHBondContact O-N 3.02Å
77	K	94.4	Very high	94	Very high	77 Å²	77	62.1 Å²	62.1	34%	0.335	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-30.5	122.4	173.5	171.6	175.5	165.9	159.3	0	113.8	E39 K79 G97 N117	E39-K77 PolarHBondContact OE1-N 3.05Å; K77-K79 PolarHBondContact O-N 3.43Å; K77-G97 CarbonylContact C-O 3.56Å; K77-G97 WeakPolarHBondContact CA-O 3.21Å; K77-N117 WeakPolarHBondContact CD-OD1 3.39Å; K77-N117 WeakPolarHBondContact CE-OD1 3.35Å; K77-N117 PolarHBondContact NZ-OD1 3.4Å
78	G	94.3	Very high	93.8	Very high	13 Å²	13	69 Å²	69	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.6	173.4	0	0	0	0	0	115.6	K76 G97	K76-G78 PolarHBondContact O-N 3.41Å; G78-G97 PolarHBondContact N-O 2.63Å
79	K	96.4	Very high	93.8	Very high	137 Å²	137	73.3 Å²	73.3	60%	0.596	38%	0.382	S	S	*	.			trans	-92.5	161.2	168.2	-55.8	-55.5	-177.8	-177	0	110.4	L75 K76 K77 V96 G97	L75-K79 HydrophobicContact CD2-CB 3.89Å; K76-K79 WeakPolarHBondContact O-CB 3.27Å; K76-K79 WeakPolarHBondContact O-CG 3.45Å; K76-K79 PolarHBondContact O-N 3.02Å; K77-K79 PolarHBondContact O-N 3.43Å; K79-V96 WeakPolarHBondContact O-CA 3.4Å; K79-G97 PolarHBondContact O-N 3.3Å
80	N	96.9	Very high	93.9	Very high	46 Å²	46	66.1 Å²	66.1	25%	0.246	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.7	174.1	73.3	33.8	0	0	0	112.5	V95 V96 A124 T128	N80-V95 CarbonylContact C-O 3.56Å; N80-V95 WeakPolarHBondContact CA-O 3.47Å; N80-V95 WeakPolarHBondContact CB-O 3.33Å; N80-V96 HydrophobicContact CB-CG1 3.89Å; N80-A124 PolarHBondContact ND2-O 3.23Å; N80-T128 PolarHBondContact ND2-OG1 2.88Å
81	R	97.1	Very high	93.9	Very high	53 Å²	53	62.8 Å²	62.8	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.4	168.1	-76.5	176.9	177.2	152.5	14.1	109.2	L68 A71 G72 P73 L75 F83 A94 V95	L68-R81 PolarHBondContact O-NH1 3Å; A71-R81 PolarHBondContact O-NE 3.3Å; A71-R81 PolarHBondContact O-NH1 3.04Å; A71-R81 PolarHBondContact O-NH2 3.47Å; A71-R81 VanDerWaalsContact O-NH2 3.17Å; G72-R81 PolarHBondContact O-NH1 3.41Å; P73-R81 VanDerWaalsContact O-CZ 3.27Å; P73-R81 PolarHBondContact O-NH1 3.36Å; P73-R81 PolarHBondContact O-NH2 2.84Å; L75-R81 HydrophobicContact CD1-CB 4.22Å; L75-R81 HydrophobicContact CD1-CG 4.2Å; L75-R81 HydrophobicContact CD2-CG 4.17Å; L75-R81 HydrophobicContact CG-CG 4.28Å; R81-F83 HydrophobicContact CB-CE2 3.86Å; R81-F83 HydrophobicContact CB-CZ 4.05Å; R81-A94 CarbonylContact O-C 3.59Å; R81-A94 WeakPolarHBondContact O-CA 3.15Å; R81-V95 PolarHBondContact N-O 2.88Å; R81-V95 PolarHBondContact O-N 2.89Å
82	L	97.6	Very high	94.2	Very high	46 Å²	46	61.3 Å²	61.3	24%	0.241	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.5	174.4	-79.5	167.9	0	0	0	110.9	Y84 V93 A94 T128 L129 L132	L82-Y84 HydrophobicContact CB-CE2 4.22Å; L82-Y84 WeakPolarHBondContact CD1-OH 3Å; L82-V93 WeakPolarHBondContact CA-O 3.36Å; L82-A94 HydrophobicContact CD2-CB 4.02Å; L82-T128 HydrophobicContact CD1-CG2 3.43Å; L82-T128 VanDerWaalsContact CD1-CG2 3.43Å; L82-T128 HydrophobicContact CD2-CG2 4.02Å; L82-T128 HydrophobicContact CG-CG2 3.73Å; L82-L129 HydrophobicContact CD2-CD2 3.99Å; L82-L132 HydrophobicContact CD1-CD1 3.81Å; L82-L132 HydrophobicContact CD1-CG 4.44Å; L82-L132 HydrophobicContact CD2-CD1 3.9Å
83	F	97.8	Very high	94.7	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.1	170.8	-58.1	-79.6	0	0	0	109.5	L64 L67 L68 A71 R81 I86 V93 V95	L64-F83 HydrophobicContact CD1-CD2 3.85Å; L64-F83 HydrophobicContact CD1-CE2 4.15Å; L64-F83 HydrophobicContact CD1-CG 4.3Å; L67-F83 HydrophobicContact CB-CD1 3.83Å; L67-F83 HydrophobicContact CB-CE1 3.71Å; L67-F83 HydrophobicContact CD1-CD1 4.37Å; L68-F83 HydrophobicContact CD2-CE2 3.81Å; L68-F83 HydrophobicContact CD2-CZ 3.79Å; L68-F83 HydrophobicContact CG-CE2 4.15Å; L68-F83 HydrophobicContact CG-CZ 4.03Å; A71-F83 HydrophobicContact CB-CE1 4.16Å; A71-F83 HydrophobicContact CB-CZ 4.21Å; R81-F83 HydrophobicContact CB-CE2 3.86Å; R81-F83 HydrophobicContact CB-CZ 4.05Å; F83-I86 HydrophobicContact CB-CD1 3.92Å; F83-I86 HydrophobicContact CB-CG2 4.11Å; F83-V93 PolarHBondContact N-O 3.23Å; F83-V93 PolarHBondContact O-N 2.82Å; F83-V95 HydrophobicContact CD2-CG2 3.82Å; F83-V95 HydrophobicContact CE2-CB 4.17Å; F83-V95 HydrophobicContact CE2-CG2 3.69Å
84	Y	97.1	Very high	95.2	Very high	142 Å²	142	55.8 Å²	55.8	56%	0.557	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.5	-170.7	-57.1	-79.4	0	0	0	111.2	L82 I86 P91 L132	L82-Y84 HydrophobicContact CB-CE2 4.22Å; L82-Y84 WeakPolarHBondContact CD1-OH 3Å; Y84-I86 PolarHBondContact O-N 3.3Å; Y84-I86 VanDerWaalsContact O-N 3.1Å; Y84-P91 WeakPolarHBondContact CA-O 3.36Å; Y84-L132 HydrophobicContact CE1-CD1 3.92Å
85	G	95.1	Very high	95.8	Very high	56 Å²	56	55.1 Å²	55.1	58%	0.577	28%	0.275	S	S	*	.	S	Bend	trans	59.7	22.2	173.9	0	0	0	0	0	115	P91	G85-P91 PolarHBondContact N-O 2.88Å
86	I	95.8	Very high	96.1	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.067	27%	0.274	C	S	.	.	S	Bend	trans	-77.9	-31.2	-179.8	63.6	171.7	0	0	0	112.2	F56 L60 L64 L67 F83 Y84 V93	F56-I86 HydrophobicContact CE1-CD1 3.97Å; F56-I86 HydrophobicContact CE1-CG1 4.47Å; L60-I86 HydrophobicContact CD1-CB 4.15Å; L60-I86 HydrophobicContact CD1-CD1 3.88Å; L60-I86 HydrophobicContact CD1-CG1 4Å; L60-I86 WeakPolarHBondContact CD2-O 3.44Å; L64-I86 HydrophobicContact CD1-CD1 3.83Å; L67-I86 HydrophobicContact CD1-CG2 3.49Å; L67-I86 VanDerWaalsContact CD1-CG2 3.49Å; F83-I86 HydrophobicContact CB-CD1 3.92Å; F83-I86 HydrophobicContact CB-CG2 4.11Å; Y84-I86 PolarHBondContact O-N 3.3Å; Y84-I86 VanDerWaalsContact O-N 3.1Å; I86-V93 HydrophobicContact CD1-CB 4Å; I86-V93 HydrophobicContact CD1-CG1 4.39Å; I86-V93 HydrophobicContact CD1-CG2 3.85Å; I86-V93 HydrophobicContact CG1-CB 4.45Å; I86-V93 HydrophobicContact CG1-CG2 3.88Å
87	H	95.3	Very high	96.4	Very high	47 Å²	47	48.3 Å²	48.3	22%	0.218	25%	0.245	C	C	.	.	S	Bend	trans	-127.6	154.3	175.8	-167.8	-88.8	0	0	0	109.9	F56 L60 D89 F90	F56-H87 HydrophobicContact CE2-CB 4Å; F56-H87 AromaticContact CE2-CD2 3.82Å; F56-H87 AromaticContact CE2-CG 3.84Å; F56-H87 HydrophobicContact CZ-CB 3.6Å; F56-H87 AromaticContact CZ-CG 3.99Å; L60-H87 HydrophobicContact CD2-CB 4.14Å; H87-D89 IonicContact CE1-OD2 2.65Å; H87-D89 PolarHBondContact CE1-OD2 2.69Å; H87-D89 PolarHBondContact ND1-N 3.09Å; H87-D89 IonicContact ND1-OD2 2.71Å; H87-F90 HydrophobicContact CB-CB 4.33Å; H87-F90 AromaticContact ND1-CD2 3.65Å; H87-F90 CarbonylContact O-C 3.48Å
88	Q	92.3	Very high	96.5	Very high	187 Å²	187	44.7 Å²	44.7	87%	0.874	23%	0.23	S	C	*	.	S	Bend	trans	-71.4	-51.9	-177.1	-60.9	-172.1	18.5	0	0	111.8	F90	Q88-F90 VanDerWaalsContact C-N 3.28Å; Q88-F90 PolarHBondContact O-N 2.67Å
89	D	93.9	Very high	96.6	Very high	99 Å²	99	44.1 Å²	44.1	53%	0.529	22%	0.224	S	C	.	.	S	Bend	trans	-72.8	-15.8	179.7	-54.9	-76.8	0	0	0	114.7	K31 H87 P91	K31-D89 VanDerWaalsContact CB-O 3.25Å; K31-D89 WeakPolarHBondContact CB-O 3.41Å; H87-D89 IonicContact CE1-OD2 2.65Å; H87-D89 PolarHBondContact CE1-OD2 2.69Å; H87-D89 PolarHBondContact ND1-N 3.09Å; H87-D89 IonicContact ND1-OD2 2.71Å; D89-P91 WeakPolarHBondContact O-CD 3.43Å
90	F	96.3	Very high	96.5	Very high	14 Å²	14	41.7 Å²	41.7	6%	0.061	21%	0.213	C	C	.	.			trans	-127.1	75.8	-176.8	-59.5	-72.3	0	0	0	110.1	K31 L33 F56 H87 Q88 C92 V93 E138	K31-F90 HydrophobicContact CB-CD1 4.17Å; K31-F90 HydrophobicContact CB-CE1 4.46Å; K31-F90 HydrophobicContact CD-CE1 4.17Å; L33-F90 HydrophobicContact CB-CB 4.18Å; L33-F90 HydrophobicContact CB-CD1 3.72Å; L33-F90 HydrophobicContact CB-CE1 4.26Å; L33-F90 HydrophobicContact CB-CG 3.94Å; L33-F90 HydrophobicContact CD1-CE1 4.4Å; L33-F90 HydrophobicContact CD2-CD2 4.24Å; L33-F90 HydrophobicContact CD2-CG 4.28Å; F56-F90 AromaticContact CE2-CD2 3.83Å; F56-F90 HydrophobicContact CE2-CD2 3.83Å; F56-F90 HydrophobicContact CE2-CE2 4.46Å; F56-F90 HydrophobicContact CZ-CB 4.49Å; F56-F90 HydrophobicContact CZ-CD2 4.46Å; H87-F90 HydrophobicContact CB-CB 4.33Å; H87-F90 AromaticContact ND1-CD2 3.65Å; H87-F90 CarbonylContact O-C 3.48Å; Q88-F90 VanDerWaalsContact C-N 3.28Å; Q88-F90 PolarHBondContact O-N 2.67Å; F90-C92 PolarHBondContact O-N 2.82Å; F90-C92 VanDerWaalsContact O-N 3.14Å; F90-V93 HydrophobicContact CB-CG2 4.02Å; F90-E138 HydrophobicContact CE1-CB 4.07Å; F90-E138 HydrophobicContact CE1-CG 3.99Å; F90-E138 HydrophobicContact CZ-CB 4.48Å; F90-E138 VanDerWaalsContact CZ-CD 3.47Å; F90-E138 HydrophobicContact CZ-CG 4.34Å; F90-E138 WeakPolarHBondContact CZ-OE2 3.14Å
91	P	94.8	Very high	96.2	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	22%	0.222	S	C	.	.	S	Bend	trans	-66.4	-12.8	-178.4	27	-36.4	0	0	0	113.9	K31 Y84 G85 D89	K31-P91 WeakPolarHBondContact O-CD 3.32Å; Y84-P91 WeakPolarHBondContact CA-O 3.36Å; G85-P91 PolarHBondContact N-O 2.88Å; D89-P91 WeakPolarHBondContact O-CD 3.43Å
92	C	97.2	Very high	96	Very high	12 Å²	12	45.6 Å²	45.6	8%	0.081	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.7	175.3	-65.1	0	0	0	0	109.7	G32 L33 F90 L129 L132 V134	G32-C92 WeakPolarHBondContact CA-O 3.37Å; L33-C92 PolarHBondContact N-O 2.93Å; L33-C92 VanDerWaalsContact N-O 3.12Å; F90-C92 PolarHBondContact O-N 2.82Å; F90-C92 VanDerWaalsContact O-N 3.14Å; C92-L129 HydrophobicContact CB-CD2 3.87Å; C92-L132 HydrophobicContact CB-CD1 4.23Å; C92-V134 HydrophobicContact CB-CG2 4.3Å
93	V	98.4	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	177.9	-177.1	0	0	0	0	109.1	L33 L35 F56 L82 F83 I86 F90	L33-V93 HydrophobicContact CB-CG1 4.38Å; L33-V93 HydrophobicContact CB-CG2 4.3Å; L33-V93 CarbonylContact O-C 3.43Å; L33-V93 WeakPolarHBondContact O-CA 3.28Å; L35-V93 HydrophobicContact CD1-CG1 3.88Å; L35-V93 HydrophobicContact CG-CG1 4.3Å; F56-V93 HydrophobicContact CE1-CG1 4.3Å; F56-V93 HydrophobicContact CE1-CG2 4.08Å; F56-V93 HydrophobicContact CZ-CG2 3.91Å; L82-V93 WeakPolarHBondContact CA-O 3.36Å; F83-V93 PolarHBondContact N-O 3.23Å; F83-V93 PolarHBondContact O-N 2.82Å; I86-V93 HydrophobicContact CD1-CB 4Å; I86-V93 HydrophobicContact CD1-CG1 4.39Å; I86-V93 HydrophobicContact CD1-CG2 3.85Å; I86-V93 HydrophobicContact CG1-CB 4.45Å; I86-V93 HydrophobicContact CG1-CG2 3.88Å; F90-V93 HydrophobicContact CB-CG2 4.02Å
94	A	98.5	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.3	176.7	0	0	0	0	0	109.7	L33 V34 L35 R81 L82 L129	L33-A94 PolarHBondContact O-N 3.24Å; V34-A94 WeakPolarHBondContact CA-O 3.42Å; V34-A94 HydrophobicContact CG2-CB 4.49Å; L35-A94 PolarHBondContact N-O 2.95Å; R81-A94 CarbonylContact O-C 3.59Å; R81-A94 WeakPolarHBondContact O-CA 3.15Å; L82-A94 HydrophobicContact CD2-CB 4.02Å; A94-L129 HydrophobicContact CB-CD1 4.08Å; A94-L129 HydrophobicContact CB-CD2 4.19Å; A94-L129 HydrophobicContact CB-CG 4.01Å
95	V	98.6	Very high	95.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.2	173	-174.3	0	0	0	0	109.1	L35 V37 L64 L68 L75 N80 R81 F83	L35-V95 CarbonylContact O-C 3.55Å; L35-V95 VanDerWaalsContact O-CA 3.28Å; L35-V95 WeakPolarHBondContact O-CA 3.37Å; V37-V95 HydrophobicContact CB-CG1 4.34Å; V37-V95 HydrophobicContact CG1-CG1 3.54Å; V37-V95 HydrophobicContact CG2-CG1 3.87Å; L64-V95 HydrophobicContact CD1-CG2 3.88Å; L64-V95 HydrophobicContact CD2-CG2 4.3Å; L68-V95 HydrophobicContact CD1-CG1 4.41Å; L68-V95 HydrophobicContact CD2-CB 4.28Å; L68-V95 HydrophobicContact CD2-CG1 4.03Å; L68-V95 HydrophobicContact CD2-CG2 4.41Å; L75-V95 HydrophobicContact CD1-CB 3.97Å; L75-V95 HydrophobicContact CD1-CG1 3.69Å; N80-V95 CarbonylContact C-O 3.56Å; N80-V95 WeakPolarHBondContact CA-O 3.47Å; N80-V95 WeakPolarHBondContact CB-O 3.33Å; R81-V95 PolarHBondContact N-O 2.88Å; R81-V95 PolarHBondContact O-N 2.89Å; F83-V95 HydrophobicContact CD2-CG2 3.82Å; F83-V95 HydrophobicContact CE2-CB 4.17Å; F83-V95 HydrophobicContact CE2-CG2 3.69Å
96	V	98.6	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.2	-172.1	-53.4	0	0	0	0	111.7	V34 L35 V37 K79 N80 L98 A121	V34-V96 HydrophobicContact CG1-CG1 3.87Å; V34-V96 HydrophobicContact CG1-CG2 4.01Å; L35-V96 PolarHBondContact O-N 3.43Å; V37-V96 PolarHBondContact N-O 3.1Å; K79-V96 WeakPolarHBondContact O-CA 3.4Å; N80-V96 HydrophobicContact CB-CG1 3.89Å; V96-L98 HydrophobicContact CG2-CD2 4.21Å; V96-A121 HydrophobicContact CB-CB 3.96Å; V96-A121 WeakPolarHBondContact CG1-O 3.49Å; V96-A121 HydrophobicContact CG2-CB 3.81Å
97	G	97.9	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.7	179.9	0	0	0	0	0	112.3	L75 K77 G78 K79 A121	L75-G97 VanDerWaalsContact O-CA 3.27Å; L75-G97 WeakPolarHBondContact O-CA 3.37Å; K77-G97 CarbonylContact C-O 3.56Å; K77-G97 WeakPolarHBondContact CA-O 3.21Å; G78-G97 PolarHBondContact N-O 2.63Å; K79-G97 PolarHBondContact O-N 3.3Å; G97-A121 WeakPolarHBondContact O-CB 3.12Å
98	L	97.7	Very high	95.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-2	-175.6	-59.2	-178.2	0	0	0	114.1	V37 F38 T50 V96 N117 I118 A121 C142	V37-L98 WeakPolarHBondContact O-CB 3.4Å; V37-L98 PolarHBondContact O-N 3.04Å; F38-L98 HydrophobicContact CD1-CB 3.54Å; F38-L98 HydrophobicContact CD1-CD1 3.94Å; F38-L98 HydrophobicContact CD1-CG 4.36Å; F38-L98 HydrophobicContact CD2-CD1 4.43Å; F38-L98 HydrophobicContact CE1-CB 3.61Å; F38-L98 HydrophobicContact CE1-CD1 3.46Å; F38-L98 VanDerWaalsContact CE1-CD1 3.46Å; F38-L98 HydrophobicContact CE1-CG 4.19Å; F38-L98 HydrophobicContact CE2-CD1 4.02Å; F38-L98 HydrophobicContact CG-CB 4.38Å; F38-L98 HydrophobicContact CG-CD1 4.39Å; F38-L98 HydrophobicContact CZ-CD1 3.5Å; F38-L98 VanDerWaalsContact CZ-CD1 3.5Å; T50-L98 HydrophobicContact CG2-CD1 3.78Å; V96-L98 HydrophobicContact CG2-CD2 4.21Å; L98-N117 WeakPolarHBondContact O-CB 3.37Å; L98-N117 PolarHBondContact O-ND2 2.8Å; L98-I118 HydrophobicContact CD2-CG1 4.22Å; L98-A121 HydrophobicContact CD2-CB 3.81Å; L98-C142 HydrophobicContact CD1-CB 3.77Å; L98-C142 HydrophobicContact CD2-CB 4.04Å
99	G	95.4	Very high	95.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-150.4	-168.2	0	0	0	0	0	111.2	F38 E39	F38-G99 CarbonylContact C-O 3.6Å; F38-G99 WeakPolarHBondContact CA-O 3.39Å; E39-G99 PolarHBondContact N-O 3.1Å
100	K	93.9	Very high	95.7	Very high	86 Å²	86	41.8 Å²	41.8	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.1	-179.4	-63.3	-170.8	173.1	-145.4	0	111.8	D41 S102 E103	D41-K100 WeakPolarHBondContact OD1-CE 3.37Å; D41-K100 IonicContact OD1-NZ 2.69Å; D41-K100 PolarHBondContact OD1-NZ 3.17Å; K100-S102 PolarHBondContact O-N 2.58Å; K100-E103 HydrophobicContact CB-CG 4.24Å; K100-E103 PolarHBondContact N-OE1 3.12Å; K100-E103 PolarHBondContact O-N 2.86Å
101	E	92	Very high	95.7	Very high	92 Å²	92	43.3 Å²	43.3	43%	0.43	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.7	179.9	-171.6	171.3	-174.5	0	0	113.1	F38 H48 E103 K114	F38-E101 HydrophobicContact CB-CB 4.12Å; F38-E101 HydrophobicContact CD1-CB 3.72Å; F38-E101 HydrophobicContact CD1-CG 4.22Å; F38-E101 HydrophobicContact CD2-CB 3.98Å; F38-E101 HydrophobicContact CD2-CG 4.02Å; F38-E101 HydrophobicContact CE1-CB 4.1Å; F38-E101 HydrophobicContact CE1-CG 4.13Å; F38-E101 HydrophobicContact CE2-CB 4.32Å; F38-E101 HydrophobicContact CE2-CG 3.91Å; F38-E101 HydrophobicContact CG-CB 3.67Å; F38-E101 HydrophobicContact CG-CG 4.19Å; F38-E101 HydrophobicContact CZ-CB 4.39Å; F38-E101 HydrophobicContact CZ-CG 3.97Å; H48-E101 IonicContact CD2-OE2 3.14Å; E101-E103 PolarHBondContact O-N 2.82Å; E101-K114 PolarHBondContact O-NZ 2.96Å
102	S	91.4	Very high	95.9	Very high	89 Å²	89	42.2 Å²	42.2	62%	0.622	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	1.2	-179.3	49.8	0	0	0	0	114.7	K100	K100-S102 PolarHBondContact O-N 2.58Å
103	E	92.3	Very high	95.9	Very high	54 Å²	54	42.4 Å²	42.4	25%	0.252	25%	0.254	S	S	.	.			trans	-67.5	148.5	175.5	-79.3	-179.8	-132.2	0	0	113	K100 E101 S113 K114 N117	K100-E103 HydrophobicContact CB-CG 4.24Å; K100-E103 PolarHBondContact N-OE1 3.12Å; K100-E103 PolarHBondContact O-N 2.86Å; E101-E103 PolarHBondContact O-N 2.82Å; E103-S113 WeakPolarHBondContact OE2-CB 3.19Å; E103-K114 HydrophobicContact CB-CB 4.05Å; E103-K114 WeakPolarHBondContact O-CB 3.34Å; E103-N117 PolarHBondContact OE1-ND2 2.93Å; E103-N117 VanDerWaalsContact OE1-ND2 3.16Å; E103-N117 PolarHBondContact OE2-ND2 3.48Å
104	G	94.9	Very high	95.9	Very high	31 Å²	31	44.7 Å²	44.7	32%	0.32	26%	0.264	S	S	.	.			trans	-153.5	-141.1	-178	0	0	0	0	0	111.8	C106 N112 S113	G104-C106 PolarHBondContact O-N 3.38Å; G104-N112 CarbonylContact O-C 3.26Å; G104-N112 WeakPolarHBondContact O-CA 3.03Å; G104-S113 PolarHBondContact O-N 3.21Å
105	V	96.3	Very high	95.9	Very high	100 Å²	100	46.3 Å²	46.3	61%	0.606	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.5	177	178.8	0	0	0	0	110.5	G107 W111 N112 V420	V105-G107 PolarHBondContact O-N 3.04Å; V105-W111 CarbonylContact C-O 3.55Å; V105-W111 WeakPolarHBondContact CA-O 3.28Å; V105-N112 HydrophobicContact CG2-CB 4.43Å; V105-V420 HydrophobicContact CG1-CG1 3.82Å; V105-V420 HydrophobicContact CG2-CG1 4.08Å
106	C	94.6	Very high	95.9	Very high	37 Å²	37	46.8 Å²	46.8	25%	0.25	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.3	174.2	-178.5	0	0	0	0	110.2	G104 A108 E109 K110 W111 S113	G104-C106 PolarHBondContact O-N 3.38Å; C106-A108 PolarHBondContact O-N 3.39Å; C106-E109 HydrophobicContact CB-CB 4.08Å; C106-E109 HydrophobicContact CB-CG 4.46Å; C106-E109 PolarHBondContact SG-N 2.87Å; C106-K110 PolarHBondContact O-N 3.05Å; C106-W111 PolarHBondContact N-O 3.45Å; C106-S113 WeakPolarHBondContact CB-OG 3.44Å
107	G	91.8	Very high	95.9	Very high	53 Å²	53	46.8 Å²	46.8	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.3	180	0	0	0	0	0	114.9	V105 K110	V105-G107 PolarHBondContact O-N 3.04Å; G107-K110 WeakPolarHBondContact O-CD 3.27Å; G107-K110 VanDerWaalsContact O-CE 3.26Å; G107-K110 WeakPolarHBondContact O-CE 3.34Å; G107-K110 PolarHBondContact O-NZ 3.33Å
108	A	95.4	Very high	95.9	Very high	85 Å²	85	46.9 Å²	46.9	70%	0.702	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-55.9	175.1	0	0	0	0	0	111.6	C106 K110	C106-A108 PolarHBondContact O-N 3.39Å; A108-K110 VanDerWaalsContact C-N 3.26Å; A108-K110 PolarHBondContact O-N 3.33Å
109	E	95.9	Very high	96	Very high	87 Å²	87	46.8 Å²	46.8	41%	0.407	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.1	-177.3	-66.5	-63.1	148.6	0	0	114.3	C106 W111 R425	C106-E109 HydrophobicContact CB-CB 4.08Å; C106-E109 HydrophobicContact CB-CG 4.46Å; C106-E109 PolarHBondContact SG-N 2.87Å; E109-W111 HydrophobicContact CB-CD2 4.08Å; E109-W111 HydrophobicContact CB-CG 4.03Å; E109-W111 HydrophobicContact CB-CZ2 4.31Å; E109-W111 HydrophobicContact CG-CZ2 4.23Å; E109-W111 PolarHBondContact O-N 3.24Å; E109-R425 WeakPolarHBondContact O-CD 3.36Å; E109-R425 PolarHBondContact O-NH1 2.77Å; E109-R425 IonicContact OE2-CZ 3.28Å; E109-R425 IonicContact OE2-NH1 3.37Å; E109-R425 PolarHBondContact OE2-NH1 3.25Å
110	K	96.8	Very high	96.1	Very high	81 Å²	81	49.1 Å²	49.1	35%	0.352	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	42.4	-174.8	-52.7	-57	-175.9	-167.4	0	113.6	C106 G107 A108 V420	C106-K110 PolarHBondContact O-N 3.05Å; G107-K110 WeakPolarHBondContact O-CD 3.27Å; G107-K110 VanDerWaalsContact O-CE 3.26Å; G107-K110 WeakPolarHBondContact O-CE 3.34Å; G107-K110 PolarHBondContact O-NZ 3.33Å; A108-K110 VanDerWaalsContact C-N 3.26Å; A108-K110 PolarHBondContact O-N 3.33Å; K110-V420 WeakPolarHBondContact O-CG2 3.44Å
111	W	97.8	Very high	96.4	Very high	46 Å²	46	45 Å²	45	17%	0.174	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	171.4	172.4	62.4	26.4	0	0	0	112.6	V105 C106 E109 S113 E116 R425	V105-W111 CarbonylContact C-O 3.55Å; V105-W111 WeakPolarHBondContact CA-O 3.28Å; C106-W111 PolarHBondContact N-O 3.45Å; E109-W111 HydrophobicContact CB-CD2 4.08Å; E109-W111 HydrophobicContact CB-CG 4.03Å; E109-W111 HydrophobicContact CB-CZ2 4.31Å; E109-W111 HydrophobicContact CG-CZ2 4.23Å; E109-W111 PolarHBondContact O-N 3.24Å; W111-S113 PolarHBondContact NE1-OG 3.22Å; W111-E116 HydrophobicContact CD2-CG 3.83Å; W111-E116 HydrophobicContact CE3-CG 3.84Å; W111-E116 HydrophobicContact CG-CG 4.19Å; W111-E116 HydrophobicContact CZ3-CG 4.27Å; W111-R425 HydrophobicContact CE3-CG 4.31Å
112	N	98.1	Very high	96.7	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109	162.8	-174.8	-50.4	0	0	0	110.3	G104 V105 K114 K115 E116 V420	G104-N112 CarbonylContact O-C 3.26Å; G104-N112 WeakPolarHBondContact O-CA 3.03Å; V105-N112 HydrophobicContact CG2-CB 4.43Å; N112-K114 PolarHBondContact OD1-N 2.83Å; N112-K115 HydrophobicContact CB-CB 4.29Å; N112-K115 HydrophobicContact CB-CD 4.08Å; N112-K115 HydrophobicContact CB-CG 4.13Å; N112-K115 PolarHBondContact O-N 3.38Å; N112-K115 PolarHBondContact OD1-N 2.93Å; N112-K115 VanDerWaalsContact OD1-N 3.1Å; N112-E116 PolarHBondContact O-N 3.4Å; N112-V420 PolarHBondContact N-O 2.91Å
113	S	97.8	Very high	97	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-37.5	-174.9	-55.4	0	0	0	0	112.8	E103 G104 C106 W111 K115 E116 N117	E103-S113 WeakPolarHBondContact OE2-CB 3.19Å; G104-S113 PolarHBondContact O-N 3.21Å; C106-S113 WeakPolarHBondContact CB-OG 3.44Å; W111-S113 PolarHBondContact NE1-OG 3.22Å; S113-K115 VanDerWaalsContact C-N 3.32Å; S113-K115 PolarHBondContact O-N 3.32Å; S113-E116 PolarHBondContact O-N 3Å; S113-E116 VanDerWaalsContact O-N 3.16Å; S113-N117 PolarHBondContact O-N 2.85Å; S113-N117 PolarHBondContact O-OD1 3.21Å
114	K	97.6	Very high	97.3	Very high	47 Å²	47	35 Å²	35	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-43.3	176.6	-176.5	167.3	-173.2	164.4	0	111.5	E101 E103 N112 N117 I118	E101-K114 PolarHBondContact O-NZ 2.96Å; E103-K114 HydrophobicContact CB-CB 4.05Å; E103-K114 WeakPolarHBondContact O-CB 3.34Å; N112-K114 PolarHBondContact OD1-N 2.83Å; K114-N117 PolarHBondContact O-N 3.06Å; K114-I118 HydrophobicContact CG-CD1 4.1Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.34Å; K114-I118 PolarHBondContact O-N 2.85Å
115	K	98.6	Very high	97.5	Very high	34 Å²	34	33.5 Å²	33.5	15%	0.148	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-44	174.8	-64.6	-174.8	-178.4	-69.8	0	112.5	N112 S113 I118 R119 D144 S147 V421	N112-K115 HydrophobicContact CB-CB 4.29Å; N112-K115 HydrophobicContact CB-CD 4.08Å; N112-K115 HydrophobicContact CB-CG 4.13Å; N112-K115 PolarHBondContact O-N 3.38Å; N112-K115 PolarHBondContact OD1-N 2.93Å; N112-K115 VanDerWaalsContact OD1-N 3.1Å; S113-K115 VanDerWaalsContact C-N 3.32Å; S113-K115 PolarHBondContact O-N 3.32Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-R119 VanDerWaalsContact O-CG 3.28Å; K115-R119 WeakPolarHBondContact O-CG 3.38Å; K115-R119 PolarHBondContact O-N 3.01Å; K115-D144 IonicContact NZ-OD1 2.69Å; K115-D144 PolarHBondContact NZ-OD1 3.2Å; K115-D144 IonicContact NZ-OD2 2.81Å; K115-D144 PolarHBondContact NZ-OD2 2.86Å; K115-S147 WeakPolarHBondContact CB-OG 3.18Å; K115-S147 WeakPolarHBondContact CG-OG 3.39Å; K115-V421 WeakPolarHBondContact CD-O 3.33Å
116	E	98.7	Very high	97.6	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-39.4	176	-73.1	-59.9	89.5	0	0	112.8	W111 N112 S113 R119 Q120 Y492	W111-E116 HydrophobicContact CD2-CG 3.83Å; W111-E116 HydrophobicContact CE3-CG 3.84Å; W111-E116 HydrophobicContact CG-CG 4.19Å; W111-E116 HydrophobicContact CZ3-CG 4.27Å; N112-E116 PolarHBondContact O-N 3.4Å; S113-E116 PolarHBondContact O-N 3Å; S113-E116 VanDerWaalsContact O-N 3.16Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 WeakPolarHBondContact OE1-CD 3.36Å; E116-R119 IonicContact OE1-CZ 2.66Å; E116-R119 IonicContact OE1-NE 2.68Å; E116-R119 IonicContact OE1-NH1 3.78Å; E116-R119 PolarHBondContact OE1-NH1 3.2Å; E116-Q120 WeakPolarHBondContact O-CB 3.45Å; E116-Q120 PolarHBondContact O-N 3.39Å; E116-Y492 VanDerWaalsContact CD-OH 3.27Å; E116-Y492 PolarHBondContact OE1-OH 3.19Å; E116-Y492 WeakPolarHBondContact OE2-CE1 3.01Å; E116-Y492 PolarHBondContact OE2-OH 2.9Å
117	N	98.5	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-46.3	176.7	-63.2	-0.9	0	0	0	111.1	K77 L98 E103 S113 K114 Q120 A121	K77-N117 WeakPolarHBondContact CD-OD1 3.39Å; K77-N117 WeakPolarHBondContact CE-OD1 3.35Å; K77-N117 PolarHBondContact NZ-OD1 3.4Å; L98-N117 WeakPolarHBondContact O-CB 3.37Å; L98-N117 PolarHBondContact O-ND2 2.8Å; E103-N117 PolarHBondContact OE1-ND2 2.93Å; E103-N117 VanDerWaalsContact OE1-ND2 3.16Å; E103-N117 PolarHBondContact OE2-ND2 3.48Å; S113-N117 PolarHBondContact O-N 2.85Å; S113-N117 PolarHBondContact O-OD1 3.21Å; K114-N117 PolarHBondContact O-N 3.06Å; N117-Q120 PolarHBondContact O-N 3.03Å; N117-A121 WeakPolarHBondContact O-CB 3.44Å; N117-A121 PolarHBondContact O-N 3.33Å
118	I	98.8	Very high	98.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-48.8	177.2	-67.7	166	0	0	0	110	L98 K114 K115 Q120 A121 V122 C142 D144 A148	L98-I118 HydrophobicContact CD2-CG1 4.22Å; K114-I118 HydrophobicContact CG-CD1 4.1Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.34Å; K114-I118 PolarHBondContact O-N 2.85Å; K115-I118 PolarHBondContact O-N 2.88Å; I118-Q120 VanDerWaalsContact C-N 3.34Å; I118-Q120 PolarHBondContact O-N 3.14Å; I118-A121 PolarHBondContact O-N 3.02Å; I118-V122 HydrophobicContact CG2-CG2 4.22Å; I118-V122 WeakPolarHBondContact O-CB 3.35Å; I118-V122 WeakPolarHBondContact O-CG2 3.21Å; I118-V122 PolarHBondContact O-N 2.67Å; I118-C142 HydrophobicContact CD1-CB 4.15Å; I118-C142 WeakPolarHBondContact CD1-O 3.38Å; I118-C142 HydrophobicContact CG1-CB 3.91Å; I118-C142 HydrophobicContact CG2-CB 3.85Å; I118-D144 HydrophobicContact CD1-CB 3.69Å; I118-A148 HydrophobicContact CG2-CB 3.99Å
119	R	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.6	-46.7	176.7	-69.7	163.9	-173.7	135.3	3.7	111.8	K115 E116 S123 S147 E150 G151 V421 T422 Y492	K115-R119 VanDerWaalsContact O-CG 3.28Å; K115-R119 WeakPolarHBondContact O-CG 3.38Å; K115-R119 PolarHBondContact O-N 3.01Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 WeakPolarHBondContact OE1-CD 3.36Å; E116-R119 IonicContact OE1-CZ 2.66Å; E116-R119 IonicContact OE1-NE 2.68Å; E116-R119 IonicContact OE1-NH1 3.78Å; E116-R119 PolarHBondContact OE1-NH1 3.2Å; R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.14Å; R119-S123 VanDerWaalsContact O-N 3.11Å; R119-S147 VanDerWaalsContact CG-O 3.29Å; R119-S147 WeakPolarHBondContact CG-O 3.16Å; R119-E150 HydrophobicContact CG-CB 4.08Å; R119-E150 IonicContact CZ-OE2 3.38Å; R119-E150 IonicContact NE-OE2 3.95Å; R119-E150 PolarHBondContact NE-OE2 2.73Å; R119-E150 IonicContact NH2-OE1 3.3Å; R119-E150 IonicContact NH2-OE2 2.63Å; R119-E150 PolarHBondContact NH2-OE2 3.33Å; R119-G151 VanDerWaalsContact O-CA 3.28Å; R119-G151 WeakPolarHBondContact O-CA 3.46Å; R119-V421 PolarHBondContact NH2-O 3.5Å; R119-T422 VanDerWaalsContact CZ-O 3.26Å; R119-T422 VanDerWaalsContact NH1-C 3.33Å; R119-T422 PolarHBondContact NH1-O 3.37Å; R119-Y492 HydrophobicContact CB-CD1 3.51Å; R119-Y492 HydrophobicContact CB-CE1 3.8Å; R119-Y492 HydrophobicContact CB-CG 3.93Å
120	Q	98.7	Very high	98.4	Very high	50 Å²	50	20.5 Å²	20.5	23%	0.234	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-50	177.7	173	175.1	14.9	0	0	112.2	E116 N117 I118 A124 P491	E116-Q120 WeakPolarHBondContact O-CB 3.45Å; E116-Q120 PolarHBondContact O-N 3.39Å; N117-Q120 PolarHBondContact O-N 3.03Å; I118-Q120 VanDerWaalsContact C-N 3.34Å; I118-Q120 PolarHBondContact O-N 3.14Å; Q120-A124 PolarHBondContact O-N 2.97Å; Q120-P491 HydrophobicContact CB-CB 4.24Å; Q120-P491 HydrophobicContact CG-CB 3.74Å; Q120-P491 HydrophobicContact CG-CG 4.27Å
121	A	98.7	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-48.1	-174.1	0	0	0	0	0	111.8	V96 G97 L98 N117 I118 A124 G125	V96-A121 HydrophobicContact CB-CB 3.96Å; V96-A121 WeakPolarHBondContact CG1-O 3.49Å; V96-A121 HydrophobicContact CG2-CB 3.81Å; G97-A121 WeakPolarHBondContact O-CB 3.12Å; L98-A121 HydrophobicContact CD2-CB 3.81Å; N117-A121 WeakPolarHBondContact O-CB 3.44Å; N117-A121 PolarHBondContact O-N 3.33Å; I118-A121 PolarHBondContact O-N 3.02Å; A121-A124 WeakPolarHBondContact O-CB 3.37Å; A121-A124 PolarHBondContact O-N 3.47Å; A121-G125 PolarHBondContact O-N 3.19Å
122	V	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-43.1	177.4	175	0	0	0	0	111	V34 I118 A124 G125 C126 V139 A148 A152	V34-V122 HydrophobicContact CG1-CG2 4.5Å; I118-V122 HydrophobicContact CG2-CG2 4.22Å; I118-V122 WeakPolarHBondContact O-CB 3.35Å; I118-V122 WeakPolarHBondContact O-CG2 3.21Å; I118-V122 PolarHBondContact O-N 2.67Å; V122-A124 VanDerWaalsContact C-N 3.29Å; V122-A124 PolarHBondContact O-N 3.01Å; V122-G125 PolarHBondContact O-N 2.98Å; V122-C126 WeakPolarHBondContact O-CB 3.4Å; V122-C126 PolarHBondContact O-N 2.86Å; V122-C126 PolarHBondContact O-SG 3.49Å; V122-C126 VanDerWaalsContact O-SG 3.36Å; V122-V139 HydrophobicContact CG1-CG1 3.53Å; V122-V139 HydrophobicContact CG2-CG1 4.3Å; V122-A148 WeakPolarHBondContact CG1-O 3.27Å; V122-A148 HydrophobicContact CG2-CB 4.19Å; V122-A152 HydrophobicContact CG1-CB 3.92Å
123	S	98.8	Very high	98.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-53.8	-45.8	172.3	164.4	0	0	0	0	111.9	R119 R127 G151 G155 Y492	R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.14Å; R119-S123 VanDerWaalsContact O-N 3.11Å; S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 WeakPolarHBondContact O-CD 3.44Å; S123-R127 WeakPolarHBondContact O-CG 3.49Å; S123-R127 PolarHBondContact O-N 3.26Å; S123-R127 PolarHBondContact OG-NE 2.72Å; S123-R127 PolarHBondContact OG-NH2 3.1Å; S123-G151 WeakPolarHBondContact CA-O 3.45Å; S123-G151 WeakPolarHBondContact CB-O 3.24Å; S123-G155 WeakPolarHBondContact OG-CA 3.45Å; S123-Y492 WeakPolarHBondContact OG-CA 3.43Å
124	A	98.7	Very high	98.2	Very high	23 Å²	23	27.8 Å²	27.8	19%	0.19	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-49.1	177.7	0	0	0	0	0	111.5	N80 Q120 A121 V122 R127 T128	N80-A124 PolarHBondContact ND2-O 3.23Å; Q120-A124 PolarHBondContact O-N 2.97Å; A121-A124 WeakPolarHBondContact O-CB 3.37Å; A121-A124 PolarHBondContact O-N 3.47Å; V122-A124 VanDerWaalsContact C-N 3.29Å; V122-A124 PolarHBondContact O-N 3.01Å; A124-R127 PolarHBondContact O-N 3.41Å; A124-T128 WeakPolarHBondContact O-CB 3.25Å; A124-T128 PolarHBondContact O-N 3.38Å; A124-T128 PolarHBondContact O-OG1 3.4Å; A124-T128 VanDerWaalsContact O-OG1 3.14Å
125	G	98.7	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-51.7	176.6	0	0	0	0	0	113.2	A121 V122 R127 T128 L129	A121-G125 PolarHBondContact O-N 3.19Å; V122-G125 PolarHBondContact O-N 2.98Å; G125-R127 PolarHBondContact O-N 3.28Å; G125-T128 PolarHBondContact O-N 3.49Å; G125-L129 WeakPolarHBondContact O-CG 3.22Å; G125-L129 PolarHBondContact O-N 3.41Å
126	C	98.8	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-39.3	179.5	-66.6	0	0	0	0	112.8	V122 L129 Q130 L156	V122-C126 WeakPolarHBondContact O-CB 3.4Å; V122-C126 PolarHBondContact O-N 2.86Å; V122-C126 PolarHBondContact O-SG 3.49Å; V122-C126 VanDerWaalsContact O-SG 3.36Å; C126-L129 PolarHBondContact O-N 2.79Å; C126-Q130 PolarHBondContact O-N 3.3Å; C126-L156 HydrophobicContact CB-CD1 4.04Å; C126-L156 HydrophobicContact CB-CD2 3.98Å; C126-L156 HydrophobicContact CB-CG 3.86Å
127	R	98.6	Very high	98.1	Very high	47 Å²	47	27.1 Å²	27.1	18%	0.177	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-45.6	176.1	-74	172.3	178	170.8	15.1	112	S123 A124 G125 L129 Q130 E131 G155 P491 Y492 L493	S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 WeakPolarHBondContact O-CD 3.44Å; S123-R127 WeakPolarHBondContact O-CG 3.49Å; S123-R127 PolarHBondContact O-N 3.26Å; S123-R127 PolarHBondContact OG-NE 2.72Å; S123-R127 PolarHBondContact OG-NH2 3.1Å; A124-R127 PolarHBondContact O-N 3.41Å; G125-R127 PolarHBondContact O-N 3.28Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 2.84Å; R127-Q130 WeakPolarHBondContact O-CB 3.41Å; R127-Q130 PolarHBondContact O-N 2.94Å; R127-E131 PolarHBondContact O-N 3.09Å; R127-E131 VanDerWaalsContact O-N 3.12Å; R127-G155 WeakPolarHBondContact CG-O 3.42Å; R127-G155 PolarHBondContact NE-O 3.46Å; R127-P491 PolarHBondContact NH1-O 3.31Å; R127-P491 PolarHBondContact NH2-O 2.93Å; R127-P491 VanDerWaalsContact NH2-O 3.1Å; R127-Y492 PolarHBondContact NH2-O 3.27Å; R127-L493 PolarHBondContact NH2-O 2.92Å
128	T	98.4	Very high	98.1	Very high	30 Å²	30	28.2 Å²	28.2	18%	0.184	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-38.6	177.3	-67	0	0	0	0	111.7	N80 L82 A124 G125 E131 L132	N80-T128 PolarHBondContact ND2-OG1 2.88Å; L82-T128 HydrophobicContact CD1-CG2 3.43Å; L82-T128 VanDerWaalsContact CD1-CG2 3.43Å; L82-T128 HydrophobicContact CD2-CG2 4.02Å; L82-T128 HydrophobicContact CG-CG2 3.73Å; A124-T128 WeakPolarHBondContact O-CB 3.25Å; A124-T128 PolarHBondContact O-N 3.38Å; A124-T128 PolarHBondContact O-OG1 3.4Å; A124-T128 VanDerWaalsContact O-OG1 3.14Å; G125-T128 PolarHBondContact O-N 3.49Å; T128-E131 PolarHBondContact O-N 2.99Å; T128-L132 PolarHBondContact O-N 2.58Å
129	L	98.4	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-38.9	173	-67.2	171.7	0	0	0	112.4	V34 L82 C92 A94 G125 C126 R127 E131 L132 K133 V134 V137	V34-L129 HydrophobicContact CG2-CD1 3.64Å; L82-L129 HydrophobicContact CD2-CD2 3.99Å; C92-L129 HydrophobicContact CB-CD2 3.87Å; A94-L129 HydrophobicContact CB-CD1 4.08Å; A94-L129 HydrophobicContact CB-CD2 4.19Å; A94-L129 HydrophobicContact CB-CG 4.01Å; G125-L129 WeakPolarHBondContact O-CG 3.22Å; G125-L129 PolarHBondContact O-N 3.41Å; C126-L129 PolarHBondContact O-N 2.79Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 2.84Å; L129-E131 PolarHBondContact O-N 2.88Å; L129-L132 HydrophobicContact CD2-CD1 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.19Å; L129-L132 VanDerWaalsContact O-N 3.15Å; L129-K133 PolarHBondContact O-N 3.18Å; L129-V134 HydrophobicContact CB-CB 4.08Å; L129-V134 HydrophobicContact CB-CG1 4.29Å; L129-V134 HydrophobicContact CB-CG2 4.2Å; L129-V134 HydrophobicContact CD2-CG2 4.18Å; L129-V134 VanDerWaalsContact O-CB 3.28Å; L129-V134 WeakPolarHBondContact O-CB 3.3Å; L129-V134 WeakPolarHBondContact O-CG2 3.22Å; L129-V134 PolarHBondContact O-N 3.33Å; L129-V137 HydrophobicContact CB-CG2 4.07Å; L129-V137 HydrophobicContact CD1-CG1 3.72Å; L129-V137 HydrophobicContact CD1-CG2 3.92Å
130	Q	98.2	Very high	98	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-35.7	174.3	-173.9	178.1	60.4	0	0	112.3	C126 R127 L132 K133 L156 T168 V170	C126-Q130 PolarHBondContact O-N 3.3Å; R127-Q130 WeakPolarHBondContact O-CB 3.41Å; R127-Q130 PolarHBondContact O-N 2.94Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-K133 WeakPolarHBondContact O-CA 3.44Å; Q130-K133 PolarHBondContact O-N 2.68Å; Q130-L156 HydrophobicContact CB-CD2 4.07Å; Q130-T168 WeakPolarHBondContact CG-O 3.38Å; Q130-T168 PolarHBondContact NE2-O 2.99Å; Q130-V170 HydrophobicContact CB-CG2 3.77Å; Q130-V170 HydrophobicContact CG-CG2 3.68Å
131	E	97.3	Very high	98	Very high	131 Å²	131	27 Å²	27	61%	0.612	13%	0.133	S	C	*	.	H	α-helix	trans	-69.2	-31.3	178.4	-73.6	162.8	-174.8	0	0	112.4	R127 T128 L129 K133	R127-E131 PolarHBondContact O-N 3.09Å; R127-E131 VanDerWaalsContact O-N 3.12Å; T128-E131 PolarHBondContact O-N 2.99Å; L129-E131 PolarHBondContact O-N 2.88Å; E131-K133 PolarHBondContact O-N 2.88Å
132	L	96.9	Very high	97.9	Very high	44 Å²	44	27 Å²	27	23%	0.23	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.6	168.9	-62.6	178.8	0	0	0	114.1	R30 L82 Y84 C92 T128 L129 Q130 V134	R30-L132 PolarHBondContact NH1-O 2.82Å; R30-L132 VanDerWaalsContact NH1-O 3.12Å; L82-L132 HydrophobicContact CD1-CD1 3.81Å; L82-L132 HydrophobicContact CD1-CG 4.44Å; L82-L132 HydrophobicContact CD2-CD1 3.9Å; Y84-L132 HydrophobicContact CE1-CD1 3.92Å; C92-L132 HydrophobicContact CB-CD1 4.23Å; T128-L132 PolarHBondContact O-N 2.58Å; L129-L132 HydrophobicContact CD2-CD1 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.19Å; L129-L132 VanDerWaalsContact O-N 3.15Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; L132-V134 VanDerWaalsContact C-N 3.26Å; L132-V134 HydrophobicContact CB-CG2 4.13Å; L132-V134 PolarHBondContact O-N 3.02Å
133	K	96.2	Very high	97.7	Very high	151 Å²	151	30 Å²	30	66%	0.657	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	32.5	-174.5	-50.8	176.9	-175.7	174.6	0	113.5	L129 Q130 E131	L129-K133 PolarHBondContact O-N 3.18Å; Q130-K133 WeakPolarHBondContact O-CA 3.44Å; Q130-K133 PolarHBondContact O-N 2.68Å; E131-K133 PolarHBondContact O-N 2.88Å
134	V	96.7	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.			trans	-65.4	132.5	164.3	175.7	0	0	0	0	107.9	R30 C92 L129 L132 H136 V137 V170	R30-V134 HydrophobicContact CB-CG2 4.46Å; R30-V134 WeakPolarHBondContact O-CG1 3.46Å; C92-V134 HydrophobicContact CB-CG2 4.3Å; L129-V134 HydrophobicContact CB-CB 4.08Å; L129-V134 HydrophobicContact CB-CG1 4.29Å; L129-V134 HydrophobicContact CB-CG2 4.2Å; L129-V134 HydrophobicContact CD2-CG2 4.18Å; L129-V134 VanDerWaalsContact O-CB 3.28Å; L129-V134 WeakPolarHBondContact O-CB 3.3Å; L129-V134 WeakPolarHBondContact O-CG2 3.22Å; L129-V134 PolarHBondContact O-N 3.33Å; L132-V134 VanDerWaalsContact C-N 3.26Å; L132-V134 HydrophobicContact CB-CG2 4.13Å; L132-V134 PolarHBondContact O-N 3.02Å; V134-H136 WeakPolarHBondContact CG1-O 3.47Å; V134-V137 HydrophobicContact CG1-CG2 3.63Å; V134-V170 WeakPolarHBondContact O-CG2 3.35Å
135	S	95.8	Very high	97.7	Very high	29 Å²	29	30.5 Å²	30.5	20%	0.203	16%	0.163	C	C	.	.			trans	-105.7	-23.6	-178.2	55.9	0	0	0	0	113.3	R30 V170 T171	R30-S135 PolarHBondContact O-N 2.72Å; S135-V170 WeakPolarHBondContact O-CA 3.29Å; S135-T171 PolarHBondContact O-N 3Å
136	H	97.4	Very high	97.7	Very high	49 Å²	49	31.3 Å²	31.3	23%	0.227	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.8	176.4	-74	107.1	0	0	0	109.6	E29 R30 K31 G32 V134 T171	E29-H136 VanDerWaalsContact CD-CE1 3.41Å; E29-H136 IonicContact OE1-CE1 3.7Å; E29-H136 PolarHBondContact OE1-CE1 3.48Å; E29-H136 IonicContact OE1-ND1 2.88Å; E29-H136 IonicContact OE2-CE1 3.97Å; E29-H136 PolarHBondContact OE2-CE1 2.97Å; E29-H136 IonicContact OE2-ND1 2.88Å; E29-H136 PolarHBondContact OE2-ND1 2.96Å; R30-H136 PolarHBondContact O-N 2.81Å; K31-H136 CarbonylContact C-O 3.58Å; K31-H136 VanDerWaalsContact CA-O 3.28Å; K31-H136 WeakPolarHBondContact CA-O 3.34Å; K31-H136 HydrophobicContact CG-CB 4.34Å; G32-H136 PolarHBondContact N-O 3.04Å; V134-H136 WeakPolarHBondContact CG1-O 3.47Å; H136-T171 WeakPolarHBondContact CA-O 3.4Å
137	V	98.4	Very high	97.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.8	-179.8	178.3	0	0	0	0	109.9	G32 V34 L129 V134 V139 V170 T171 S172 Q173	G32-V137 WeakPolarHBondContact O-CA 3.48Å; V34-V137 HydrophobicContact CG2-CG1 3.78Å; L129-V137 HydrophobicContact CB-CG2 4.07Å; L129-V137 HydrophobicContact CD1-CG1 3.72Å; L129-V137 HydrophobicContact CD1-CG2 3.92Å; V134-V137 HydrophobicContact CG1-CG2 3.63Å; V137-V139 HydrophobicContact CG1-CG2 3.8Å; V137-V170 HydrophobicContact CB-CG1 4.08Å; V137-V170 HydrophobicContact CG2-CG1 3.54Å; V137-T171 PolarHBondContact N-O 2.91Å; V137-S172 VanDerWaalsContact O-CA 3.3Å; V137-S172 WeakPolarHBondContact O-CA 3.4Å; V137-Q173 PolarHBondContact O-N 3.19Å
138	E	98.6	Very high	97.7	Very high	23 Å²	23	29.1 Å²	29.1	11%	0.107	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.1	166.2	-64.7	-174.4	-151.2	0	0	109.1	K31 G32 L33 V34 F90 Q173 H175	K31-E138 IonicContact NZ-OE1 2.62Å; K31-E138 PolarHBondContact NZ-OE1 2.91Å; G32-E138 PolarHBondContact O-N 2.95Å; L33-E138 CarbonylContact C-O 3.47Å; L33-E138 WeakPolarHBondContact CA-O 3.21Å; L33-E138 HydrophobicContact CD1-CB 3.76Å; V34-E138 PolarHBondContact N-O 2.7Å; F90-E138 HydrophobicContact CE1-CB 4.07Å; F90-E138 HydrophobicContact CE1-CG 3.99Å; F90-E138 HydrophobicContact CZ-CB 4.48Å; F90-E138 VanDerWaalsContact CZ-CD 3.47Å; F90-E138 HydrophobicContact CZ-CG 4.34Å; F90-E138 WeakPolarHBondContact CZ-OE2 3.14Å; E138-Q173 CarbonylContact C-O 3.05Å; E138-Q173 WeakPolarHBondContact CA-O 3.29Å; E138-Q173 HydrophobicContact CG-CG 3.85Å; E138-Q173 PolarHBondContact OE1-NE2 2.98Å; E138-H175 HydrophobicContact CB-CB 4.04Å; E138-H175 IonicContact OE2-CE1 2.63Å; E138-H175 IonicContact OE2-CG 2.99Å; E138-H175 IonicContact OE2-ND1 3.72Å; E138-H175 PolarHBondContact OE2-ND1 3.46Å
139	V	98.8	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.8	-169.4	-179.5	0	0	0	0	110.3	V34 V122 V137 A148 A152 Q173 H175 W183	V34-V139 HydrophobicContact CB-CG1 4.46Å; V34-V139 HydrophobicContact CB-CG2 4.42Å; V34-V139 HydrophobicContact CG2-CG2 4.49Å; V122-V139 HydrophobicContact CG1-CG1 3.53Å; V122-V139 HydrophobicContact CG2-CG1 4.3Å; V137-V139 HydrophobicContact CG1-CG2 3.8Å; V139-A148 HydrophobicContact CG1-CB 4.32Å; V139-A152 HydrophobicContact CG2-CB 4.47Å; V139-Q173 PolarHBondContact N-O 2.82Å; V139-H175 PolarHBondContact O-N 3.46Å; V139-W183 HydrophobicContact CB-CH2 3.64Å; V139-W183 HydrophobicContact CB-CZ3 3.73Å; V139-W183 HydrophobicContact CG1-CH2 3.96Å; V139-W183 HydrophobicContact CG1-CZ3 3.73Å; V139-W183 HydrophobicContact CG2-CH2 3.95Å
140	D	98.5	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.			trans	-52.5	136.1	167.4	179.4	2.1	0	0	0	112.2	V34 L35 G36 T50 A52 C142 A148	V34-D140 WeakPolarHBondContact O-CB 3.28Å; V34-D140 PolarHBondContact O-N 2.99Å; L35-D140 HydrophobicContact CD2-CB 4.24Å; G36-D140 PolarHBondContact N-OD2 2.88Å; T50-D140 WeakPolarHBondContact CB-OD2 3.25Å; T50-D140 WeakPolarHBondContact CG2-OD2 3.18Å; T50-D140 PolarHBondContact OG1-OD2 3.32Å; A52-D140 HydrophobicContact CB-CB 4.21Å; A52-D140 WeakPolarHBondContact CB-OD1 3.41Å; D140-C142 PolarHBondContact O-N 2.88Å; D140-C142 PolarHBondContact O-SG 3.11Å; D140-C142 VanDerWaalsContact O-SG 3.33Å; D140-C142 PolarHBondContact OD1-N 2.74Å; D140-A148 WeakPolarHBondContact O-CB 3.36Å
141	D	97.2	Very high	97.8	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	15%	0.147	C	C	.	.			trans	-63.4	-20.8	175	58.7	57	0	0	0	113.3	G143 D144 A145 L174	D141-G143 PolarHBondContact O-N 2.96Å; D141-G143 VanDerWaalsContact O-N 3.12Å; D141-G143 PolarHBondContact OD1-N 3.36Å; D141-D144 CarbonylContact O-C 3.55Å; D141-D144 PolarHBondContact O-N 3.03Å; D141-A145 HydrophobicContact CB-CB 3.7Å; D141-A145 PolarHBondContact O-N 2.92Å; D141-L174 HydrophobicContact CB-CD1 4Å
142	C	97.2	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	22.4	-179.2	-55.8	0	0	0	0	113.8	L98 I118 D140 D144	L98-C142 HydrophobicContact CD1-CB 3.77Å; L98-C142 HydrophobicContact CD2-CB 4.04Å; I118-C142 HydrophobicContact CD1-CB 4.15Å; I118-C142 WeakPolarHBondContact CD1-O 3.38Å; I118-C142 HydrophobicContact CG1-CB 3.91Å; I118-C142 HydrophobicContact CG2-CB 3.85Å; D140-C142 PolarHBondContact O-N 2.88Å; D140-C142 PolarHBondContact O-SG 3.11Å; D140-C142 VanDerWaalsContact O-SG 3.33Å; D140-C142 PolarHBondContact OD1-N 2.74Å; C142-D144 VanDerWaalsContact C-N 3.33Å
143	G	95.2	Very high	97.9	Very high	61 Å²	61	19.7 Å²	19.7	63%	0.629	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.8	-171.4	0	0	0	0	0	115.3	D141	D141-G143 PolarHBondContact O-N 2.96Å; D141-G143 VanDerWaalsContact O-N 3.12Å; D141-G143 PolarHBondContact OD1-N 3.36Å
144	D	97.6	Very high	98.1	Very high	35 Å²	35	12.5 Å²	12.5	19%	0.187	8%	0.08	C	C	.	.			trans	-157.7	81.3	175.5	-161.8	-72.2	0	0	0	111.1	K115 I118 D141 C142 K146 S147 A148	K115-D144 IonicContact NZ-OD1 2.69Å; K115-D144 PolarHBondContact NZ-OD1 3.2Å; K115-D144 IonicContact NZ-OD2 2.81Å; K115-D144 PolarHBondContact NZ-OD2 2.86Å; I118-D144 HydrophobicContact CD1-CB 3.69Å; D141-D144 CarbonylContact O-C 3.55Å; D141-D144 PolarHBondContact O-N 3.03Å; C142-D144 VanDerWaalsContact C-N 3.33Å; D144-K146 PolarHBondContact O-N 3.12Å; D144-K146 VanDerWaalsContact O-N 3.09Å; D144-S147 VanDerWaalsContact CG-OG 3.25Å; D144-S147 PolarHBondContact O-N 3.14Å; D144-S147 VanDerWaalsContact OD1-CB 3.22Å; D144-S147 WeakPolarHBondContact OD1-CB 3.35Å; D144-S147 PolarHBondContact OD1-N 3.19Å; D144-S147 PolarHBondContact OD1-OG 3.45Å; D144-A148 PolarHBondContact O-N 2.84Å
145	A	98.4	Very high	98.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-60.4	-27.6	-171.9	0	0	0	0	0	113.5	D141 A149 L174 D179 W183	D141-A145 HydrophobicContact CB-CB 3.7Å; D141-A145 PolarHBondContact O-N 2.92Å; A145-A149 VanDerWaalsContact O-CB 3.29Å; A145-A149 WeakPolarHBondContact O-CB 3.38Å; A145-A149 PolarHBondContact O-N 3.2Å; A145-L174 HydrophobicContact CB-CD1 4.34Å; A145-D179 HydrophobicContact CB-CB 3.78Å; A145-D179 WeakPolarHBondContact CB-O 3.41Å; A145-D179 WeakPolarHBondContact CB-OD2 3.28Å; A145-W183 HydrophobicContact CB-CB 4.15Å
146	K	98.6	Very high	98.3	Very high	17 Å²	17	11.9 Å²	11.9	7%	0.074	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-49.9	171.1	-166.9	-153	175.8	-158.9	0	110.9	D144 A149 E150 G182 G186 E507	D144-K146 PolarHBondContact O-N 3.12Å; D144-K146 VanDerWaalsContact O-N 3.09Å; K146-A149 PolarHBondContact O-N 2.95Å; K146-E150 IonicContact NZ-OE1 3.41Å; K146-E150 WeakPolarHBondContact O-CB 3.16Å; K146-E150 WeakPolarHBondContact O-CG 3.44Å; K146-E150 PolarHBondContact O-N 3.46Å; K146-G182 VanDerWaalsContact CA-O 3.25Å; K146-G182 WeakPolarHBondContact CA-O 3.4Å; K146-G186 WeakPolarHBondContact O-CA 3.35Å; K146-E507 IonicContact NZ-OE2 2.75Å; K146-E507 PolarHBondContact NZ-OE2 3.19Å
147	S	98.7	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.2	-32.6	-178.5	-54.8	0	0	0	0	112.2	K115 R119 D144 G151	K115-S147 WeakPolarHBondContact CB-OG 3.18Å; K115-S147 WeakPolarHBondContact CG-OG 3.39Å; R119-S147 VanDerWaalsContact CG-O 3.29Å; R119-S147 WeakPolarHBondContact CG-O 3.16Å; D144-S147 VanDerWaalsContact CG-OG 3.25Å; D144-S147 PolarHBondContact O-N 3.14Å; D144-S147 VanDerWaalsContact OD1-CB 3.22Å; D144-S147 WeakPolarHBondContact OD1-CB 3.35Å; D144-S147 PolarHBondContact OD1-N 3.19Å; D144-S147 PolarHBondContact OD1-OG 3.45Å; S147-G151 PolarHBondContact O-N 3.32Å
148	A	98.8	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.9	-48.7	172.6	0	0	0	0	0	111.6	I118 V122 V139 D140 D144 E150 G151 A152 W183	I118-A148 HydrophobicContact CG2-CB 3.99Å; V122-A148 WeakPolarHBondContact CG1-O 3.27Å; V122-A148 HydrophobicContact CG2-CB 4.19Å; V139-A148 HydrophobicContact CG1-CB 4.32Å; D140-A148 WeakPolarHBondContact O-CB 3.36Å; D144-A148 PolarHBondContact O-N 2.84Å; A148-E150 PolarHBondContact O-N 3.44Å; A148-G151 PolarHBondContact O-N 2.9Å; A148-A152 PolarHBondContact O-N 3.1Å; A148-W183 HydrophobicContact CB-CZ3 4.21Å
149	A	98.9	Very high	98.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-42.7	174.1	0	0	0	0	0	112.3	A145 K146 G151 A152 I153 W183 V187	A145-A149 VanDerWaalsContact O-CB 3.29Å; A145-A149 WeakPolarHBondContact O-CB 3.38Å; A145-A149 PolarHBondContact O-N 3.2Å; K146-A149 PolarHBondContact O-N 2.95Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 3.33Å; A149-A152 PolarHBondContact O-N 3.23Å; A149-I153 WeakPolarHBondContact O-CB 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.44Å; A149-I153 PolarHBondContact O-N 2.95Å; A149-W183 HydrophobicContact CB-CD2 3.7Å; A149-W183 HydrophobicContact CB-CE3 3.65Å; A149-W183 HydrophobicContact CB-CG 4.23Å; A149-W183 HydrophobicContact CB-CH2 4.18Å; A149-W183 HydrophobicContact CB-CZ2 4.24Å; A149-W183 HydrophobicContact CB-CZ3 3.89Å; A149-W183 WeakPolarHBondContact CB-O 3.31Å; A149-V187 HydrophobicContact CB-CG2 4Å
150	E	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-45.2	173.9	-76.7	175.2	136.5	0	0	111.4	R119 K146 A148 L154 R503	R119-E150 HydrophobicContact CG-CB 4.08Å; R119-E150 IonicContact CZ-OE2 3.38Å; R119-E150 IonicContact NE-OE2 3.95Å; R119-E150 PolarHBondContact NE-OE2 2.73Å; R119-E150 IonicContact NH2-OE1 3.3Å; R119-E150 IonicContact NH2-OE2 2.63Å; R119-E150 PolarHBondContact NH2-OE2 3.33Å; K146-E150 IonicContact NZ-OE1 3.41Å; K146-E150 WeakPolarHBondContact O-CB 3.16Å; K146-E150 WeakPolarHBondContact O-CG 3.44Å; K146-E150 PolarHBondContact O-N 3.46Å; A148-E150 PolarHBondContact O-N 3.44Å; E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 WeakPolarHBondContact O-CG 3.14Å; E150-L154 PolarHBondContact O-N 2.82Å; E150-R503 VanDerWaalsContact CD-NH1 3.32Å; E150-R503 WeakPolarHBondContact OE1-CD 3.28Å; E150-R503 IonicContact OE1-CZ 2.68Å; E150-R503 IonicContact OE1-NE 3.76Å; E150-R503 IonicContact OE1-NH1 3.57Å; E150-R503 PolarHBondContact OE1-NH1 2.94Å; E150-R503 IonicContact OE2-NH1 2.65Å
151	G	98.9	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-46.7	176.1	0	0	0	0	0	113.7	R119 S123 S147 A148 A149 G155	R119-G151 VanDerWaalsContact O-CA 3.28Å; R119-G151 WeakPolarHBondContact O-CA 3.46Å; S123-G151 WeakPolarHBondContact CA-O 3.45Å; S123-G151 WeakPolarHBondContact CB-O 3.24Å; S147-G151 PolarHBondContact O-N 3.32Å; A148-G151 PolarHBondContact O-N 2.9Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 3.33Å; G151-G155 WeakPolarHBondContact O-CA 3.32Å; G151-G155 PolarHBondContact O-N 2.92Å
152	A	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-53.1	-179.8	0	0	0	0	0	111.8	V122 V139 A148 A149 G155 L156 W183	V122-A152 HydrophobicContact CG1-CB 3.92Å; V139-A152 HydrophobicContact CG2-CB 4.47Å; A148-A152 PolarHBondContact O-N 3.1Å; A149-A152 PolarHBondContact O-N 3.23Å; A152-G155 PolarHBondContact O-N 3.32Å; A152-L156 WeakPolarHBondContact O-CB 3.33Å; A152-L156 WeakPolarHBondContact O-CD1 3.39Å; A152-L156 VanDerWaalsContact O-CG 3.27Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.27Å; A152-W183 HydrophobicContact CB-CH2 4.21Å
153	I	98.9	Very high	98.1	Very high	19 Å²	19	29.8 Å²	29.8	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-73.4	-40.1	-171.6	-62.3	-66.4	0	0	0	112.2	A149 S172 V187 A190 E191 N194	A149-I153 WeakPolarHBondContact O-CB 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.44Å; A149-I153 PolarHBondContact O-N 2.95Å; I153-S172 WeakPolarHBondContact CD1-OG 3.43Å; I153-V187 HydrophobicContact CG1-CG1 4.44Å; I153-V187 HydrophobicContact CG1-CG2 4.16Å; I153-A190 HydrophobicContact CB-CB 3.59Å; I153-A190 HydrophobicContact CG2-CB 3.46Å; I153-A190 VanDerWaalsContact CG2-CB 3.46Å; I153-E191 HydrophobicContact CG2-CG 3.89Å; I153-E191 WeakPolarHBondContact CG2-OE1 3.4Å; I153-N194 WeakPolarHBondContact CG2-ND2 3.46Å; I153-N194 PolarHBondContact O-ND2 3.1Å; I153-N194 VanDerWaalsContact O-ND2 3.14Å
154	L	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.8	-37.5	173.2	-64.5	176.1	0	0	0	111.6	E150 A190 Q193 R197 Y492 L493	E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 WeakPolarHBondContact O-CG 3.14Å; E150-L154 PolarHBondContact O-N 2.82Å; L154-A190 HydrophobicContact CD2-CB 3.99Å; L154-A190 HydrophobicContact CG-CB 3.85Å; L154-Q193 HydrophobicContact CD2-CB 3.92Å; L154-Q193 HydrophobicContact CD2-CG 3.89Å; L154-R197 PolarHBondContact O-NH1 3.09Å; L154-Y492 CarbonylContact C-O 3.59Å; L154-Y492 HydrophobicContact CB-CD2 4.24Å; L154-Y492 HydrophobicContact CD1-CD2 3.62Å; L154-Y492 HydrophobicContact CD1-CE2 3.81Å; L154-L493 HydrophobicContact CB-CD2 4.22Å; L154-L493 HydrophobicContact CD2-CD2 4.28Å
155	G	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-36.7	-176.8	0	0	0	0	0	114.5	S123 R127 G151 A152 Y492	S123-G155 WeakPolarHBondContact OG-CA 3.45Å; R127-G155 WeakPolarHBondContact CG-O 3.42Å; R127-G155 PolarHBondContact NE-O 3.46Å; G151-G155 WeakPolarHBondContact O-CA 3.32Å; G151-G155 PolarHBondContact O-N 2.92Å; A152-G155 PolarHBondContact O-N 3.32Å; G155-Y492 VanDerWaalsContact CA-O 3.25Å; G155-Y492 WeakPolarHBondContact CA-O 3.36Å; G155-Y492 PolarHBondContact N-O 2.95Å
156	L	98.8	Very high	98.1	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-82.9	-25.5	-178.4	-75.1	168.3	0	0	0	114.2	C126 Q130 A152 V170 R494	C126-L156 HydrophobicContact CB-CD1 4.04Å; C126-L156 HydrophobicContact CB-CD2 3.98Å; C126-L156 HydrophobicContact CB-CG 3.86Å; Q130-L156 HydrophobicContact CB-CD2 4.07Å; A152-L156 WeakPolarHBondContact O-CB 3.33Å; A152-L156 WeakPolarHBondContact O-CD1 3.39Å; A152-L156 VanDerWaalsContact O-CG 3.27Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.27Å; L156-V170 HydrophobicContact CD1-CB 3.9Å; L156-V170 HydrophobicContact CD1-CG1 3.81Å; L156-V170 HydrophobicContact CD2-CB 3.88Å; L156-V170 HydrophobicContact CD2-CG1 4.22Å; L156-V170 HydrophobicContact CD2-CG2 3.9Å; L156-V170 HydrophobicContact CG-CB 4.48Å; L156-R494 PolarHBondContact O-NH1 3.45Å
157	F	98.6	Very high	97.9	Very high	38 Å²	38	49.5 Å²	49.5	17%	0.167	25%	0.245	C	C	.	.			trans	-53.7	142.7	-179.3	179.5	-87.5	0	0	0	113	N194 R197 F198 R494	F157-N194 WeakPolarHBondContact CB-OD1 3.29Å; F157-N194 HydrophobicContact CD2-CB 3.57Å; F157-N194 VanDerWaalsContact CD2-CG 3.41Å; F157-N194 HydrophobicContact CE2-CB 3.81Å; F157-N194 WeakPolarHBondContact CE2-O 3.42Å; F157-N194 HydrophobicContact CG-CB 4.35Å; F157-R197 HydrophobicContact CD1-CB 4.5Å; F157-R197 HydrophobicContact CE1-CB 3.76Å; F157-R197 HydrophobicContact CZ-CB 3.77Å; F157-F198 HydrophobicContact CE2-CB 4.42Å; F157-F198 HydrophobicContact CZ-CB 4.24Å; F157-R494 WeakPolarHBondContact O-CD 3.42Å; F157-R494 PolarHBondContact O-NH1 2.99Å; F157-R494 VanDerWaalsContact O-NH1 3.12Å
158	S	97.2	Very high	97.8	Very high	40 Å²	40	51.6 Å²	51.6	28%	0.28	26%	0.258	S	S	.	.			trans	-161	131.7	165.7	49.4	0	0	0	0	110.4	D160	S158-D160 PolarHBondContact O-N 3.36Å; S158-D160 VanDerWaalsContact O-N 3.13Å
159	Y	97.8	Very high	97.6	Very high	37 Å²	37	62.2 Å²	62.2	15%	0.145	30%	0.298	C	S	.	.			trans	-73.4	103.3	168.4	-170.8	-100	0	0	0	109.9	E161 L162 K163 F198 E201 A202	Y159-E161 HydrophobicContact CE2-CB 4.35Å; Y159-E161 HydrophobicContact CE2-CG 4.33Å; Y159-L162 HydrophobicContact CE1-CD1 4.2Å; Y159-L162 HydrophobicContact CE1-CG 4.2Å; Y159-K163 PolarHBondContact O-NZ 3.4Å; Y159-F198 AromaticContact CD2-CD2 3.92Å; Y159-F198 HydrophobicContact CD2-CD2 3.92Å; Y159-F198 HydrophobicContact CD2-CE2 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4Å; Y159-F198 AromaticContact CE2-CE2 3.82Å; Y159-F198 HydrophobicContact CE2-CE2 3.82Å; Y159-F198 HydrophobicContact CE2-CZ 4.45Å; Y159-E201 HydrophobicContact CD1-CG 4.03Å; Y159-E201 HydrophobicContact CG-CB 4.28Å; Y159-E201 HydrophobicContact CG-CG 3.88Å; Y159-A202 HydrophobicContact CE2-CB 3.77Å; Y159-A202 WeakPolarHBondContact OH-CB 3.46Å
160	D	97.4	Very high	97.6	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.118	30%	0.304	C	S	.	.			trans	-129.2	15.5	173.3	67.4	13.3	0	0	0	113.8	S158 L162 K163 K166 K167	S158-D160 PolarHBondContact O-N 3.36Å; S158-D160 VanDerWaalsContact O-N 3.13Å; D160-L162 PolarHBondContact O-N 3.3Å; D160-L162 VanDerWaalsContact O-N 3.14Å; D160-K163 HydrophobicContact CB-CB 4.24Å; D160-K163 HydrophobicContact CB-CD 3.81Å; D160-K163 HydrophobicContact CB-CG 4.34Å; D160-K163 WeakPolarHBondContact O-CB 3.38Å; D160-K163 PolarHBondContact O-N 2.89Å; D160-K166 HydrophobicContact CB-CG 4.34Å; D160-K166 VanDerWaalsContact O-CE 3.29Å; D160-K166 WeakPolarHBondContact O-CE 3.4Å; D160-K166 WeakPolarHBondContact OD1-CD 3.45Å; D160-K166 VanDerWaalsContact OD2-CA 3.25Å; D160-K166 WeakPolarHBondContact OD2-CA 3.28Å; D160-K166 WeakPolarHBondContact OD2-CB 3.25Å; D160-K167 PolarHBondContact OD2-N 2.74Å
161	E	96.7	Very high	97.5	Very high	111 Å²	111	66.5 Å²	66.5	52%	0.519	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.1	-177.9	-65	-59.9	171.9	0	0	114	Y159 K163 K166 F198	Y159-E161 HydrophobicContact CE2-CB 4.35Å; Y159-E161 HydrophobicContact CE2-CG 4.33Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.99Å; E161-K166 IonicContact OE2-NZ 3.96Å; E161-K166 PolarHBondContact OE2-NZ 3.35Å; E161-F198 HydrophobicContact CG-CE2 4.29Å
162	L	97.5	Very high	97.4	Very high	107 Å²	107	67.3 Å²	67.3	56%	0.56	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	13.6	178.9	-52.5	-178.8	0	0	0	113.5	Y159 D160 P203	Y159-L162 HydrophobicContact CE1-CD1 4.2Å; Y159-L162 HydrophobicContact CE1-CG 4.2Å; D160-L162 PolarHBondContact O-N 3.3Å; D160-L162 VanDerWaalsContact O-N 3.14Å; L162-P203 HydrophobicContact CD1-CG 3.77Å
163	K	97.6	Very high	97.3	Very high	121 Å²	121	71.8 Å²	71.8	53%	0.526	35%	0.351	S	S	.	.			trans	-115.1	128.8	-177.5	-58.7	175.4	-173.7	142.4	0	111	Y159 D160 E161 K165 K166	Y159-K163 PolarHBondContact O-NZ 3.4Å; D160-K163 HydrophobicContact CB-CB 4.24Å; D160-K163 HydrophobicContact CB-CD 3.81Å; D160-K163 HydrophobicContact CB-CG 4.34Å; D160-K163 WeakPolarHBondContact O-CB 3.38Å; D160-K163 PolarHBondContact O-N 2.89Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.99Å; K163-K165 PolarHBondContact O-N 2.86Å; K163-K166 WeakPolarHBondContact O-CG 3.45Å
164	S	97.9	Very high	97.3	Very high	136 Å²	136	71.7 Å²	71.7	95%	0.951	35%	0.351	S	S	*	.	S	Bend	trans	-66.6	-24.9	175.2	-38.3	0	0	0	0	113.2
165	K	97	Very high	97.2	Very high	197 Å²	197	73.6 Å²	73.6	86%	0.857	36%	0.359	S	S	*	.	S	Bend	trans	-105.3	94.2	172.4	-68.1	-179.2	-179.6	176.9	0	108.7	K163	K163-K165 PolarHBondContact O-N 2.86Å
166	K	96.1	Very high	96.9	Very high	107 Å²	107	76.1 Å²	76.1	47%	0.465	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-86.4	160.2	174.2	-61.6	-165.5	177	-176.7	0	111.8	D160 E161 K163	D160-K166 HydrophobicContact CB-CG 4.34Å; D160-K166 VanDerWaalsContact O-CE 3.29Å; D160-K166 WeakPolarHBondContact O-CE 3.4Å; D160-K166 WeakPolarHBondContact OD1-CD 3.45Å; D160-K166 VanDerWaalsContact OD2-CA 3.25Å; D160-K166 WeakPolarHBondContact OD2-CA 3.28Å; D160-K166 WeakPolarHBondContact OD2-CB 3.25Å; E161-K166 IonicContact OE2-NZ 3.96Å; E161-K166 PolarHBondContact OE2-NZ 3.35Å; K163-K166 WeakPolarHBondContact O-CG 3.45Å
167	K	94.6	Very high	96.2	Very high	89 Å²	89	80.1 Å²	80.1	39%	0.387	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-72.9	158.2	168.6	-81.1	174.5	163.9	-73.9	0	110.7	D160 R169	D160-K167 PolarHBondContact OD2-N 2.74Å; K167-R169 PolarHBondContact O-N 2.71Å
168	T	95.6	Very high	95.6	Very high	44 Å²	44	81.8 Å²	81.8	27%	0.27	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-58.7	120.7	167.8	-63.9	0	0	0	0	108.9	Q130 V170	Q130-T168 WeakPolarHBondContact CG-O 3.38Å; Q130-T168 PolarHBondContact NE2-O 2.99Å; T168-V170 PolarHBondContact O-N 2.79Å
169	R	95.5	Very high	95.5	Very high	223 Å²	223	83.1 Å²	83.1	84%	0.842	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.6	129.5	171.2	-173.3	175.3	-177.3	169.8	1.6	108.3	K167	K167-R169 PolarHBondContact O-N 2.71Å
170	V	97.3	Very high	95.4	Very high	19 Å²	19	84.1 Å²	84.1	12%	0.115	45%	0.45	C	S	.	.			trans	-115.7	125.6	179.4	-176.8	0	0	0	0	108.6	Q130 V134 S135 V137 L156 T168	Q130-V170 HydrophobicContact CB-CG2 3.77Å; Q130-V170 HydrophobicContact CG-CG2 3.68Å; V134-V170 WeakPolarHBondContact O-CG2 3.35Å; S135-V170 WeakPolarHBondContact O-CA 3.29Å; V137-V170 HydrophobicContact CB-CG1 4.08Å; V137-V170 HydrophobicContact CG2-CG1 3.54Å; L156-V170 HydrophobicContact CD1-CB 3.9Å; L156-V170 HydrophobicContact CD1-CG1 3.81Å; L156-V170 HydrophobicContact CD2-CB 3.88Å; L156-V170 HydrophobicContact CD2-CG1 4.22Å; L156-V170 HydrophobicContact CD2-CG2 3.9Å; L156-V170 HydrophobicContact CG-CB 4.48Å; T168-V170 PolarHBondContact O-N 2.79Å
171	T	97.1	Very high	95.4	Very high	71 Å²	71	88.2 Å²	88.2	44%	0.436	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.4	166.2	-55.1	0	0	0	0	107.5	S135 H136 V137	S135-T171 PolarHBondContact O-N 3Å; H136-T171 WeakPolarHBondContact CA-O 3.4Å; V137-T171 PolarHBondContact N-O 2.91Å
172	S	97.3	Very high	95.4	Very high	17 Å²	17	83.5 Å²	83.5	12%	0.119	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.4	176.8	59.1	0	0	0	0	111	V137 I153	V137-S172 VanDerWaalsContact O-CA 3.3Å; V137-S172 WeakPolarHBondContact O-CA 3.4Å; I153-S172 WeakPolarHBondContact CD1-OG 3.43Å
173	Q	97.4	Very high	95.5	Very high	93 Å²	93	79.4 Å²	79.4	44%	0.435	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158	179.4	69.9	-174.9	20.1	0	0	111	V137 E138 V139	V137-Q173 PolarHBondContact O-N 3.19Å; E138-Q173 CarbonylContact C-O 3.05Å; E138-Q173 WeakPolarHBondContact CA-O 3.29Å; E138-Q173 HydrophobicContact CG-CG 3.85Å; E138-Q173 PolarHBondContact OE1-NE2 2.98Å; V139-Q173 PolarHBondContact N-O 2.82Å
174	L	98.1	Very high	95.5	Very high	18 Å²	18	79 Å²	79	9%	0.094	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.2	172.1	-177.7	65	0	0	0	110.4	D141 A145 V180 W183	D141-L174 HydrophobicContact CB-CD1 4Å; A145-L174 HydrophobicContact CB-CD1 4.34Å; L174-V180 HydrophobicContact CD2-CG2 3.96Å; L174-W183 HydrophobicContact CB-CB 4.22Å; L174-W183 HydrophobicContact CB-CD2 3.79Å; L174-W183 HydrophobicContact CB-CE3 4.06Å; L174-W183 HydrophobicContact CB-CG 3.82Å; L174-W183 HydrophobicContact CD1-CD2 4.46Å; L174-W183 HydrophobicContact CD1-CE3 3.99Å; L174-W183 HydrophobicContact CD2-CB 4.32Å
175	H	97.4	Very high	95.5	Very high	39 Å²	39	76 Å²	76	18%	0.181	40%	0.398	C	S	.	.	S	Bend	trans	-84.7	123.5	167.4	-173.6	58.3	0	0	0	109.8	L33 E138 V139	L33-H175 HydrophobicContact CD1-CB 3.97Å; E138-H175 HydrophobicContact CB-CB 4.04Å; E138-H175 IonicContact OE2-CE1 2.63Å; E138-H175 IonicContact OE2-CG 2.99Å; E138-H175 IonicContact OE2-ND1 3.72Å; E138-H175 PolarHBondContact OE2-ND1 3.46Å; V139-H175 PolarHBondContact O-N 3.46Å
176	G	91.5	Very high	95.6	Very high	54 Å²	54	66.7 Å²	66.7	56%	0.557	36%	0.358	S	S	*	.	S	Bend	trans	73.4	-154.9	-170.8	0	0	0	0	0	112.7
177	S	84.8	Confident	95.8	Very high	99 Å²	99	63.4 Å²	63.4	69%	0.692	35%	0.346	S	S	*	.	S	Bend	trans	-145.9	25.7	-167.3	69.2	0	0	0	0	114.9
178	A	86.2	Confident	96	Very high	74 Å²	74	61 Å²	61	61%	0.612	34%	0.339	S	S	*	.	S	Bend	trans	-72	-59.3	-175.4	0	0	0	0	0	112.6
179	D	93.9	Very high	96.1	Very high	67 Å²	67	58.9 Å²	58.9	36%	0.358	33%	0.326	S	S	.	.	S	Bend	trans	-118.9	67.5	179.2	-177.1	20	0	0	0	111.8	A145 D181 G182 W183	A145-D179 HydrophobicContact CB-CB 3.78Å; A145-D179 WeakPolarHBondContact CB-O 3.41Å; A145-D179 WeakPolarHBondContact CB-OD2 3.28Å; D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 3.4Å; D179-G182 VanDerWaalsContact OD1-CA 3.27Å; D179-G182 WeakPolarHBondContact OD1-CA 3.17Å; D179-G182 PolarHBondContact OD1-N 3.37Å; D179-G182 WeakPolarHBondContact OD2-CA 3.49Å; D179-W183 WeakPolarHBondContact O-CB 3.45Å; D179-W183 PolarHBondContact O-N 3.31Å
180	V	96.4	Very high	96.3	Very high	58 Å²	58	48.3 Å²	48.3	35%	0.352	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-33.5	179.7	174.3	0	0	0	0	111.9	L174 K184	L174-V180 HydrophobicContact CD2-CG2 3.96Å; V180-K184 HydrophobicContact CG1-CD 4.49Å; V180-K184 VanDerWaalsContact O-CG 3.29Å; V180-K184 WeakPolarHBondContact O-CG 3.46Å; V180-K184 PolarHBondContact O-N 3.05Å
181	D	96.9	Very high	96.4	Very high	109 Å²	109	51.9 Å²	51.9	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-86.1	-32.7	-176	-71.3	-20.9	0	0	0	112.8	D179 K184 K185	D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 3.4Å; D181-K184 PolarHBondContact O-N 3.12Å; D181-K184 WeakPolarHBondContact OD1-CD 3.31Å; D181-K184 WeakPolarHBondContact OD1-CE 3.4Å; D181-K184 IonicContact OD1-NZ 2.67Å; D181-K184 PolarHBondContact OD1-NZ 3.44Å; D181-K185 WeakPolarHBondContact O-CB 3.45Å; D181-K185 PolarHBondContact O-N 3.17Å
182	G	97.9	Very high	96.4	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-42.6	165.2	0	0	0	0	0	112	K146 D179 K185 G186	K146-G182 VanDerWaalsContact CA-O 3.25Å; K146-G182 WeakPolarHBondContact CA-O 3.4Å; D179-G182 VanDerWaalsContact OD1-CA 3.27Å; D179-G182 WeakPolarHBondContact OD1-CA 3.17Å; D179-G182 PolarHBondContact OD1-N 3.37Å; D179-G182 WeakPolarHBondContact OD2-CA 3.49Å; G182-K185 PolarHBondContact O-N 3.15Å; G182-G186 PolarHBondContact O-N 3.23Å
183	W	98.6	Very high	96.5	Very high	21 Å²	21	47.9 Å²	47.9	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-56	-53.2	170.9	179.6	-89.4	0	0	0	111.5	V139 A145 A148 A149 A152 L174 D179 K185 G186 V187	V139-W183 HydrophobicContact CB-CH2 3.64Å; V139-W183 HydrophobicContact CB-CZ3 3.73Å; V139-W183 HydrophobicContact CG1-CH2 3.96Å; V139-W183 HydrophobicContact CG1-CZ3 3.73Å; V139-W183 HydrophobicContact CG2-CH2 3.95Å; A145-W183 HydrophobicContact CB-CB 4.15Å; A148-W183 HydrophobicContact CB-CZ3 4.21Å; A149-W183 HydrophobicContact CB-CD2 3.7Å; A149-W183 HydrophobicContact CB-CE3 3.65Å; A149-W183 HydrophobicContact CB-CG 4.23Å; A149-W183 HydrophobicContact CB-CH2 4.18Å; A149-W183 HydrophobicContact CB-CZ2 4.24Å; A149-W183 HydrophobicContact CB-CZ3 3.89Å; A149-W183 WeakPolarHBondContact CB-O 3.31Å; A152-W183 HydrophobicContact CB-CH2 4.21Å; L174-W183 HydrophobicContact CB-CB 4.22Å; L174-W183 HydrophobicContact CB-CD2 3.79Å; L174-W183 HydrophobicContact CB-CE3 4.06Å; L174-W183 HydrophobicContact CB-CG 3.82Å; L174-W183 HydrophobicContact CD1-CD2 4.46Å; L174-W183 HydrophobicContact CD1-CE3 3.99Å; L174-W183 HydrophobicContact CD2-CB 4.32Å; D179-W183 WeakPolarHBondContact O-CB 3.45Å; D179-W183 PolarHBondContact O-N 3.31Å; W183-K185 VanDerWaalsContact C-N 3.33Å; W183-K185 PolarHBondContact O-N 3.22Å; W183-G186 PolarHBondContact O-N 2.89Å; W183-G186 VanDerWaalsContact O-N 3.09Å; W183-V187 HydrophobicContact CZ2-CG2 4.46Å; W183-V187 WeakPolarHBondContact O-CG2 3.47Å; W183-V187 PolarHBondContact O-N 3.26Å
184	K	98.4	Very high	96.6	Very high	112 Å²	112	43.8 Å²	43.8	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-55.5	-45.2	176.1	-72.3	167.8	-165.5	155.9	0	112.1	V180 D181 G186 V187 V188	V180-K184 HydrophobicContact CG1-CD 4.49Å; V180-K184 VanDerWaalsContact O-CG 3.29Å; V180-K184 WeakPolarHBondContact O-CG 3.46Å; V180-K184 PolarHBondContact O-N 3.05Å; D181-K184 PolarHBondContact O-N 3.12Å; D181-K184 WeakPolarHBondContact OD1-CD 3.31Å; D181-K184 WeakPolarHBondContact OD1-CE 3.4Å; D181-K184 IonicContact OD1-NZ 2.67Å; D181-K184 PolarHBondContact OD1-NZ 3.44Å; K184-G186 VanDerWaalsContact C-N 3.32Å; K184-G186 PolarHBondContact O-N 3.48Å; K184-V187 PolarHBondContact O-N 3.12Å; K184-V188 WeakPolarHBondContact O-CG2 3.39Å; K184-V188 PolarHBondContact O-N 2.85Å
185	K	98.4	Very high	96.6	Very high	74 Å²	74	43.7 Å²	43.7	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176.9	-173.5	179.1	177.4	-170.4	0	110.5	D181 G182 W183 V188 Y189 L319 E507	D181-K185 WeakPolarHBondContact O-CB 3.45Å; D181-K185 PolarHBondContact O-N 3.17Å; G182-K185 PolarHBondContact O-N 3.15Å; W183-K185 VanDerWaalsContact C-N 3.33Å; W183-K185 PolarHBondContact O-N 3.22Å; K185-V188 PolarHBondContact O-N 3.13Å; K185-Y189 HydrophobicContact CD-CE2 4.3Å; K185-Y189 VanDerWaalsContact CE-CE2 3.46Å; K185-Y189 HydrophobicContact CG-CD2 3.93Å; K185-Y189 HydrophobicContact CG-CE2 3.82Å; K185-Y189 WeakPolarHBondContact O-CD2 3.4Å; K185-Y189 PolarHBondContact O-N 2.72Å; K185-L319 HydrophobicContact CG-CD2 4.29Å; K185-E507 IonicContact NZ-OE1 3.83Å; K185-E507 PolarHBondContact NZ-OE1 3.4Å
186	G	98.8	Very high	96.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-41.1	177.3	0	0	0	0	0	113.6	K146 G182 W183 K184 Y189 A190	K146-G186 WeakPolarHBondContact O-CA 3.35Å; G182-G186 PolarHBondContact O-N 3.23Å; W183-G186 PolarHBondContact O-N 2.89Å; W183-G186 VanDerWaalsContact O-N 3.09Å; K184-G186 VanDerWaalsContact C-N 3.32Å; K184-G186 PolarHBondContact O-N 3.48Å; G186-Y189 PolarHBondContact O-N 3.22Å; G186-A190 WeakPolarHBondContact O-CB 3.27Å; G186-A190 PolarHBondContact O-N 3.08Å
187	V	98.9	Very high	97.1	Very high	38 Å²	38	39.5 Å²	39.5	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-48.2	173.1	175.1	0	0	0	0	110.8	A149 I153 W183 K184 Y189 A190 E191	A149-V187 HydrophobicContact CB-CG2 4Å; I153-V187 HydrophobicContact CG1-CG1 4.44Å; I153-V187 HydrophobicContact CG1-CG2 4.16Å; W183-V187 HydrophobicContact CZ2-CG2 4.46Å; W183-V187 WeakPolarHBondContact O-CG2 3.47Å; W183-V187 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.12Å; V187-Y189 PolarHBondContact O-N 3.29Å; V187-A190 PolarHBondContact O-N 3.38Å; V187-E191 HydrophobicContact CG1-CG 4.2Å; V187-E191 PolarHBondContact O-N 3.18Å
188	V	98.9	Very high	97.7	Very high	39 Å²	39	38 Å²	38	24%	0.236	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-37.4	-179.1	178.6	0	0	0	0	112.2	K184 K185 G192 A315 A318 L319	K184-V188 WeakPolarHBondContact O-CG2 3.39Å; K184-V188 PolarHBondContact O-N 2.85Å; K185-V188 PolarHBondContact O-N 3.13Å; V188-G192 PolarHBondContact O-N 3.39Å; V188-A315 HydrophobicContact CG1-CB 4.01Å; V188-A318 HydrophobicContact CG1-CB 3.92Å; V188-L319 HydrophobicContact CB-CD2 4.05Å; V188-L319 HydrophobicContact CB-CG 4.29Å; V188-L319 HydrophobicContact CG1-CD1 4.28Å; V188-L319 HydrophobicContact CG1-CD2 4.09Å; V188-L319 HydrophobicContact CG1-CG 3.78Å; V188-L319 HydrophobicContact CG2-CD2 4.37Å
189	Y	98.9	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-45	172.7	-92.5	-115.1	0	0	0	111.9	K185 G186 V187 Q193 L319 R503 L506 E507	K185-Y189 HydrophobicContact CD-CE2 4.3Å; K185-Y189 VanDerWaalsContact CE-CE2 3.46Å; K185-Y189 HydrophobicContact CG-CD2 3.93Å; K185-Y189 HydrophobicContact CG-CE2 3.82Å; K185-Y189 WeakPolarHBondContact O-CD2 3.4Å; K185-Y189 PolarHBondContact O-N 2.72Å; G186-Y189 PolarHBondContact O-N 3.22Å; V187-Y189 PolarHBondContact O-N 3.29Å; Y189-Q193 PolarHBondContact O-N 2.96Å; Y189-L319 HydrophobicContact CD2-CD1 3.93Å; Y189-L319 HydrophobicContact CE2-CD1 3.48Å; Y189-L319 VanDerWaalsContact CE2-CD1 3.48Å; Y189-R503 HydrophobicContact CD1-CB 4.11Å; Y189-R503 HydrophobicContact CD1-CG 4.22Å; Y189-R503 WeakPolarHBondContact O-CG 3.23Å; Y189-L506 HydrophobicContact CD1-CD2 3.96Å; Y189-L506 HydrophobicContact CD2-CD2 3.52Å; Y189-L506 HydrophobicContact CD2-CG 4.39Å; Y189-L506 HydrophobicContact CE1-CB 4.25Å; Y189-L506 HydrophobicContact CE1-CD2 3.94Å; Y189-L506 HydrophobicContact CE1-CG 4.07Å; Y189-L506 HydrophobicContact CE2-CD2 3.52Å; Y189-L506 HydrophobicContact CE2-CG 3.9Å; Y189-L506 HydrophobicContact CG-CD2 3.74Å; Y189-E507 HydrophobicContact CE1-CB 3.99Å; Y189-E507 VanDerWaalsContact CE1-OE2 3.25Å; Y189-E507 WeakPolarHBondContact CE1-OE2 3.49Å; Y189-E507 VanDerWaalsContact OH-CA 3.3Å; Y189-E507 WeakPolarHBondContact OH-CA 3.33Å; Y189-E507 PolarHBondContact OH-N 3.36Å; Y189-E507 PolarHBondContact OH-OE1 2.67Å; Y189-E507 PolarHBondContact OH-OE2 2.76Å
190	A	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-74.7	-38.3	-178.6	0	0	0	0	0	113.3	I153 L154 G186 V187 G192 Q193 N194	I153-A190 HydrophobicContact CB-CB 3.59Å; I153-A190 HydrophobicContact CG2-CB 3.46Å; I153-A190 VanDerWaalsContact CG2-CB 3.46Å; L154-A190 HydrophobicContact CD2-CB 3.99Å; L154-A190 HydrophobicContact CG-CB 3.85Å; G186-A190 WeakPolarHBondContact O-CB 3.27Å; G186-A190 PolarHBondContact O-N 3.08Å; V187-A190 PolarHBondContact O-N 3.38Å; A190-G192 VanDerWaalsContact C-N 3.34Å; A190-Q193 PolarHBondContact O-N 3.49Å; A190-N194 WeakPolarHBondContact O-CB 3.25Å; A190-N194 PolarHBondContact O-N 2.78Å
191	E	98.9	Very high	98.7	Very high	95 Å²	95	30.1 Å²	30.1	44%	0.444	15%	0.15	S	C	.	.	H	α-helix	trans	-70.1	-30.5	175.1	-68.9	-61	-176.6	0	0	112.6	I153 V187 N194 L195	I153-E191 HydrophobicContact CG2-CG 3.89Å; I153-E191 WeakPolarHBondContact CG2-OE1 3.4Å; V187-E191 HydrophobicContact CG1-CG 4.2Å; V187-E191 PolarHBondContact O-N 3.18Å; E191-N194 PolarHBondContact O-N 3.03Å; E191-N194 WeakPolarHBondContact OE2-CB 3.44Å; E191-N194 PolarHBondContact OE2-ND2 3.34Å; E191-N194 VanDerWaalsContact OE2-ND2 3.15Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 PolarHBondContact O-N 3.4Å
192	G	98.9	Very high	98.8	Very high	4 Å²	4	25 Å²	25	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-50.8	166.6	0	0	0	0	0	111.6	V188 A190 N194 L195 A196 A311	V188-G192 PolarHBondContact O-N 3.39Å; A190-G192 VanDerWaalsContact C-N 3.34Å; G192-N194 PolarHBondContact O-N 3.25Å; G192-L195 PolarHBondContact O-N 3.11Å; G192-A196 PolarHBondContact O-N 2.64Å; G192-A311 VanDerWaalsContact O-CB 3.27Å; G192-A311 WeakPolarHBondContact O-CB 3.43Å
193	Q	98.9	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-36.3	175.8	178.4	163.5	10.5	0	0	112.6	L154 Y189 A190 A196 R197 S498 R503	L154-Q193 HydrophobicContact CD2-CB 3.92Å; L154-Q193 HydrophobicContact CD2-CG 3.89Å; Y189-Q193 PolarHBondContact O-N 2.96Å; A190-Q193 PolarHBondContact O-N 3.49Å; Q193-A196 PolarHBondContact O-N 2.84Å; Q193-R197 HydrophobicContact CG-CG 4.47Å; Q193-R197 VanDerWaalsContact O-CG 3.22Å; Q193-R197 WeakPolarHBondContact O-CG 3.46Å; Q193-R197 PolarHBondContact O-N 3.16Å; Q193-S498 PolarHBondContact NE2-O 2.97Å; Q193-R503 HydrophobicContact CB-CG 4.14Å
194	N	98.9	Very high	98.8	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-32.6	175.1	-74.1	-16.5	0	0	0	113.2	I153 F157 A190 E191 G192 R197 F198	I153-N194 WeakPolarHBondContact CG2-ND2 3.46Å; I153-N194 PolarHBondContact O-ND2 3.1Å; I153-N194 VanDerWaalsContact O-ND2 3.14Å; F157-N194 WeakPolarHBondContact CB-OD1 3.29Å; F157-N194 HydrophobicContact CD2-CB 3.57Å; F157-N194 VanDerWaalsContact CD2-CG 3.41Å; F157-N194 HydrophobicContact CE2-CB 3.81Å; F157-N194 WeakPolarHBondContact CE2-O 3.42Å; F157-N194 HydrophobicContact CG-CB 4.35Å; A190-N194 WeakPolarHBondContact O-CB 3.25Å; A190-N194 PolarHBondContact O-N 2.78Å; E191-N194 PolarHBondContact O-N 3.03Å; E191-N194 WeakPolarHBondContact OE2-CB 3.44Å; E191-N194 PolarHBondContact OE2-ND2 3.34Å; E191-N194 VanDerWaalsContact OE2-ND2 3.15Å; G192-N194 PolarHBondContact O-N 3.25Å; N194-R197 PolarHBondContact O-N 2.88Å; N194-R197 PolarHBondContact OD1-NH1 3.27Å; N194-F198 WeakPolarHBondContact O-CB 3.38Å; N194-F198 PolarHBondContact O-N 2.87Å
195	L	98.9	Very high	98.8	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.089	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-45.1	171.6	176.1	59.9	0	0	0	111	E191 G192 R197 F198 L199 I216 K219 A311 V314	E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 PolarHBondContact O-N 3.4Å; G192-L195 PolarHBondContact O-N 3.11Å; L195-R197 VanDerWaalsContact C-N 3.35Å; L195-R197 PolarHBondContact O-N 3.44Å; L195-F198 PolarHBondContact O-N 3.42Å; L195-L199 HydrophobicContact CD1-CD1 3.99Å; L195-L199 HydrophobicContact CD1-CG 4.26Å; L195-L199 HydrophobicContact CG-CD1 4.05Å; L195-L199 WeakPolarHBondContact O-CD1 3.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.06Å; L195-I216 HydrophobicContact CD2-CD1 4.41Å; L195-K219 HydrophobicContact CD1-CG 4.1Å; L195-K219 HydrophobicContact CD2-CB 4.21Å; L195-K219 HydrophobicContact CD2-CG 3.94Å; L195-A311 HydrophobicContact CB-CB 4.08Å; L195-A311 HydrophobicContact CD2-CB 3.98Å; L195-A311 HydrophobicContact CG-CB 4.01Å; L195-V314 HydrophobicContact CD2-CB 4.16Å; L195-V314 HydrophobicContact CD2-CG1 4.08Å; L195-V314 HydrophobicContact CD2-CG2 3.96Å
196	A	98.9	Very high	98.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-44	173.1	0	0	0	0	0	111.7	G192 Q193 F198 L199 M200 A307 T308 A311 T502	G192-A196 PolarHBondContact O-N 2.64Å; Q193-A196 PolarHBondContact O-N 2.84Å; A196-F198 PolarHBondContact O-N 3.06Å; A196-L199 PolarHBondContact O-N 3.43Å; A196-M200 WeakPolarHBondContact O-CB 3.33Å; A196-M200 VanDerWaalsContact O-CG 3.24Å; A196-M200 WeakPolarHBondContact O-CG 3.47Å; A196-M200 PolarHBondContact O-N 2.98Å; A196-A307 HydrophobicContact CB-CB 4.25Å; A196-T308 HydrophobicContact CB-CG2 4.28Å; A196-A311 HydrophobicContact CB-CB 4.07Å; A196-T502 WeakPolarHBondContact CB-OG1 3.16Å
197	R	98.9	Very high	98.8	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174.7	-68.5	166.5	74.2	-168.5	8.5	112.5	L154 F157 Q193 N194 L195 M200 E201 M497 S498	L154-R197 PolarHBondContact O-NH1 3.09Å; F157-R197 HydrophobicContact CD1-CB 4.5Å; F157-R197 HydrophobicContact CE1-CB 3.76Å; F157-R197 HydrophobicContact CZ-CB 3.77Å; Q193-R197 HydrophobicContact CG-CG 4.47Å; Q193-R197 VanDerWaalsContact O-CG 3.22Å; Q193-R197 WeakPolarHBondContact O-CG 3.46Å; Q193-R197 PolarHBondContact O-N 3.16Å; N194-R197 PolarHBondContact O-N 2.88Å; N194-R197 PolarHBondContact OD1-NH1 3.27Å; L195-R197 VanDerWaalsContact C-N 3.35Å; L195-R197 PolarHBondContact O-N 3.44Å; R197-M200 PolarHBondContact O-N 3.11Å; R197-E201 WeakPolarHBondContact O-CB 3.38Å; R197-E201 PolarHBondContact O-N 2.82Å; R197-M497 WeakPolarHBondContact CG-O 3.46Å; R197-S498 WeakPolarHBondContact CD-O 3.4Å; R197-S498 VanDerWaalsContact CG-O 3.24Å; R197-S498 WeakPolarHBondContact CG-O 3.5Å
198	F	98.9	Very high	98.8	Very high	66 Å²	66	30.7 Å²	30.7	29%	0.289	15%	0.151	S	C	.	.	H	α-helix	trans	-61	-47.9	178.4	174.5	-87.5	0	0	0	111.4	F157 Y159 E161 N194 L195 A196 M200 E201 A202	F157-F198 HydrophobicContact CE2-CB 4.42Å; F157-F198 HydrophobicContact CZ-CB 4.24Å; Y159-F198 AromaticContact CD2-CD2 3.92Å; Y159-F198 HydrophobicContact CD2-CD2 3.92Å; Y159-F198 HydrophobicContact CD2-CE2 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4Å; Y159-F198 AromaticContact CE2-CE2 3.82Å; Y159-F198 HydrophobicContact CE2-CE2 3.82Å; Y159-F198 HydrophobicContact CE2-CZ 4.45Å; E161-F198 HydrophobicContact CG-CE2 4.29Å; N194-F198 WeakPolarHBondContact O-CB 3.38Å; N194-F198 PolarHBondContact O-N 2.87Å; L195-F198 PolarHBondContact O-N 3.42Å; A196-F198 PolarHBondContact O-N 3.06Å; F198-M200 VanDerWaalsContact C-N 3.35Å; F198-M200 PolarHBondContact O-N 3.46Å; F198-E201 PolarHBondContact O-N 2.87Å; F198-A202 WeakPolarHBondContact O-CB 3.39Å; F198-A202 PolarHBondContact O-N 2.92Å; F198-A202 VanDerWaalsContact O-N 3.16Å
199	L	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-38.2	-179.6	-67.6	163.5	0	0	0	111.9	L195 A196 I207 F212 T215 I216 M303 A307	L195-L199 HydrophobicContact CD1-CD1 3.99Å; L195-L199 HydrophobicContact CD1-CG 4.26Å; L195-L199 HydrophobicContact CG-CD1 4.05Å; L195-L199 WeakPolarHBondContact O-CD1 3.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.06Å; A196-L199 PolarHBondContact O-N 3.43Å; L199-I207 HydrophobicContact CD2-CD1 4.33Å; L199-I207 HydrophobicContact CD2-CG2 4.31Å; L199-F212 HydrophobicContact CB-CD2 4.37Å; L199-F212 HydrophobicContact CB-CE2 4.16Å; L199-F212 HydrophobicContact CD1-CD2 4.36Å; L199-F212 HydrophobicContact CD1-CE2 3.78Å; L199-F212 HydrophobicContact CD1-CZ 4.32Å; L199-F212 HydrophobicContact CD2-CD2 3.95Å; L199-F212 HydrophobicContact CD2-CE2 4.22Å; L199-F212 HydrophobicContact CG-CD2 4.46Å; L199-F212 HydrophobicContact CG-CE2 4.27Å; L199-T215 HydrophobicContact CD2-CG2 3.82Å; L199-I216 HydrophobicContact CD1-CD1 3.7Å; L199-M303 VanDerWaalsContact C-CE 3.43Å; L199-M303 HydrophobicContact CB-CE 3.63Å; L199-M303 VanDerWaalsContact O-CE 3.27Å; L199-M303 WeakPolarHBondContact O-CE 3.49Å; L199-A307 HydrophobicContact CB-CB 4.21Å
200	M	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-77.8	-33.3	178.7	-68.2	168.7	72.1	0	0	114	A196 R197 F198 A301 M303 A307 M484 M497	A196-M200 WeakPolarHBondContact O-CB 3.33Å; A196-M200 VanDerWaalsContact O-CG 3.24Å; A196-M200 WeakPolarHBondContact O-CG 3.47Å; A196-M200 PolarHBondContact O-N 2.98Å; R197-M200 PolarHBondContact O-N 3.11Å; F198-M200 VanDerWaalsContact C-N 3.35Å; F198-M200 PolarHBondContact O-N 3.46Å; M200-A301 HydrophobicContact CB-CB 3.87Å; M200-A301 HydrophobicContact CE-CB 4.06Å; M200-A301 HydrophobicContact CG-CB 4.34Å; M200-M303 HydrophobicContact CB-SD 4.3Å; M200-M303 HydrophobicContact CG-CE 4.21Å; M200-M303 HydrophobicContact CG-SD 3.83Å; M200-A307 HydrophobicContact CG-CB 3.83Å; M200-A307 HydrophobicContact SD-CB 4.28Å; M200-M484 HydrophobicContact CE-CB 4.5Å; M200-M484 HydrophobicContact CE-CG 3.71Å; M200-M484 WeakPolarHBondContact CE-O 3.42Å; M200-M497 HydrophobicContact CB-CB 3.7Å; M200-M497 HydrophobicContact CB-CG 3.96Å; M200-M497 HydrophobicContact CE-CB 4.46Å
201	E	98.8	Very high	98.8	Very high	35 Å²	35	32.8 Å²	32.8	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-82.6	-31	-175.4	-170.8	68.3	-92.6	0	0	112.6	Y159 R197 F198 R300 G496 M497	Y159-E201 HydrophobicContact CD1-CG 4.03Å; Y159-E201 HydrophobicContact CG-CB 4.28Å; Y159-E201 HydrophobicContact CG-CG 3.88Å; R197-E201 WeakPolarHBondContact O-CB 3.38Å; R197-E201 PolarHBondContact O-N 2.82Å; F198-E201 PolarHBondContact O-N 2.87Å; E201-R300 PolarHBondContact O-NE 3.1Å; E201-R300 IonicContact OE1-CZ 3.76Å; E201-R300 IonicContact OE1-NE 3.15Å; E201-R300 IonicContact OE1-NH2 2.74Å; E201-R300 PolarHBondContact OE1-NH2 3.48Å; E201-G496 WeakPolarHBondContact OE2-CA 3.47Å; E201-M497 HydrophobicContact CB-CB 4.22Å; E201-M497 HydrophobicContact CB-CG 4.18Å; E201-M497 PolarHBondContact OE2-N 3.01Å
202	A	98.4	Very high	98.8	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	15%	0.145	C	C	.	.	S	Bend	trans	-63.5	145.4	176.7	0	0	0	0	0	111.7	Y159 F198 I207	Y159-A202 HydrophobicContact CE2-CB 3.77Å; Y159-A202 WeakPolarHBondContact OH-CB 3.46Å; F198-A202 WeakPolarHBondContact O-CB 3.39Å; F198-A202 PolarHBondContact O-N 2.92Å; F198-A202 VanDerWaalsContact O-N 3.16Å; A202-I207 HydrophobicContact CB-CD1 4.35Å; A202-I207 HydrophobicContact CB-CG1 3.53Å
203	P	98.7	Very high	98.8	Very high	36 Å²	36	28 Å²	28	23%	0.234	14%	0.143	C	C	.	.			trans	-70.4	146.5	-177.9	30.2	-35.3	0	0	0	111.6	L162 N205 R206 I207	L162-P203 HydrophobicContact CD1-CG 3.77Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 2.79Å; P203-R206 HydrophobicContact CG-CB 4.25Å; P203-R206 HydrophobicContact CG-CG 3.91Å; P203-R206 WeakPolarHBondContact O-CA 3.37Å; P203-R206 WeakPolarHBondContact O-CB 3.45Å; P203-R206 PolarHBondContact O-N 2.75Å; P203-I207 PolarHBondContact O-N 3.41Å
204	A	98.6	Very high	98.8	Very high	12 Å²	12	30.7 Å²	30.7	10%	0.099	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.2	-176.1	0	0	0	0	0	113.8	R206 I207 T208 T282 F283 R300	A204-R206 PolarHBondContact O-N 2.94Å; A204-I207 CarbonylContact O-C 3.53Å; A204-I207 PolarHBondContact O-N 3.4Å; A204-T208 PolarHBondContact O-N 2.84Å; A204-T208 VanDerWaalsContact O-N 3.16Å; A204-T282 WeakPolarHBondContact CB-O 3.42Å; A204-F283 HydrophobicContact CB-CB 3.72Å; A204-F283 HydrophobicContact CB-CD2 4.12Å; A204-F283 HydrophobicContact CB-CG 4.26Å; A204-R300 HydrophobicContact CB-CB 4.46Å
205	N	98.5	Very high	98.8	Very high	125 Å²	125	31.4 Å²	31.4	67%	0.668	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	5.5	174.5	76.8	-23.4	0	0	0	114.7	P203	P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 2.79Å
206	R	98.4	Very high	98.8	Very high	165 Å²	165	30.6 Å²	30.6	62%	0.623	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-33.7	168.8	-61.8	-61.9	-173	167.5	1	112.1	P203 A204 A211	P203-R206 HydrophobicContact CG-CB 4.25Å; P203-R206 HydrophobicContact CG-CG 3.91Å; P203-R206 WeakPolarHBondContact O-CA 3.37Å; P203-R206 WeakPolarHBondContact O-CB 3.45Å; P203-R206 PolarHBondContact O-N 2.75Å; A204-R206 PolarHBondContact O-N 2.94Å; R206-A211 WeakPolarHBondContact O-CB 3.41Å
207	I	98.4	Very high	98.8	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.062	17%	0.173	C	C	.	.	S	Bend	trans	-107.4	68.7	172.1	-54.6	-59	0	0	0	109.2	L199 A202 P203 A204 F212 T282 M303	L199-I207 HydrophobicContact CD2-CD1 4.33Å; L199-I207 HydrophobicContact CD2-CG2 4.31Å; A202-I207 HydrophobicContact CB-CD1 4.35Å; A202-I207 HydrophobicContact CB-CG1 3.53Å; P203-I207 PolarHBondContact O-N 3.41Å; A204-I207 CarbonylContact O-C 3.53Å; A204-I207 PolarHBondContact O-N 3.4Å; I207-F212 HydrophobicContact CG2-CB 3.83Å; I207-F212 HydrophobicContact CG2-CD2 3.95Å; I207-F212 HydrophobicContact CG2-CG 4.41Å; I207-T282 WeakPolarHBondContact O-CB 3.47Å; I207-T282 WeakPolarHBondContact O-CG2 3.46Å; I207-M303 HydrophobicContact CG2-CE 4.48Å
208	T	98.9	Very high	98.8	Very high	26 Å²	26	39.8 Å²	39.8	16%	0.16	20%	0.201	C	C	.	.			trans	-73.8	170.8	168.1	88.6	0	0	0	0	110.3	A204 T210 A211 F212 E254	A204-T208 PolarHBondContact O-N 2.84Å; A204-T208 VanDerWaalsContact O-N 3.16Å; T208-T210 PolarHBondContact O-N 2.98Å; T208-T210 PolarHBondContact OG1-N 2.91Å; T208-A211 PolarHBondContact O-N 3.39Å; T208-F212 WeakPolarHBondContact O-CB 3.37Å; T208-F212 PolarHBondContact O-N 2.92Å; T208-E254 VanDerWaalsContact CB-CD 3.49Å; T208-E254 WeakPolarHBondContact CB-OE1 3.4Å; T208-E254 PolarHBondContact OG1-OE1 3.11Å
209	P	98.9	Very high	98.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-52	-41.1	178.4	-29.2	38.7	0	0	0	113.3	A213 E254 V257 T282 L331	P209-A213 WeakPolarHBondContact O-CB 3.47Å; P209-A213 PolarHBondContact O-N 3.14Å; P209-A213 VanDerWaalsContact O-N 3.15Å; P209-E254 VanDerWaalsContact CD-CG 3.43Å; P209-E254 HydrophobicContact CG-CG 4.12Å; P209-V257 HydrophobicContact CB-CB 4.25Å; P209-V257 HydrophobicContact CB-CG2 4.15Å; P209-T282 WeakPolarHBondContact CD-OG1 3.38Å; P209-T282 HydrophobicContact CG-CG2 4.2Å; P209-L331 HydrophobicContact CB-CB 3.7Å; P209-L331 HydrophobicContact CG-CB 4.41Å
210	T	98.9	Very high	98.8	Very high	56 Å²	56	41.7 Å²	41.7	34%	0.344	21%	0.209	S	C	.	.	H	α-helix	trans	-71.3	-43	177.4	-58.7	0	0	0	0	111.8	T208 A213 N214	T208-T210 PolarHBondContact O-N 2.98Å; T208-T210 PolarHBondContact OG1-N 2.91Å; T210-A213 PolarHBondContact O-N 2.84Å; T210-N214 WeakPolarHBondContact O-CB 3.25Å; T210-N214 PolarHBondContact O-N 3.12Å; T210-N214 PolarHBondContact O-OD1 3.17Å
211	A	98.9	Very high	98.7	Very high	26 Å²	26	44.8 Å²	44.8	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-36.5	179.9	0	0	0	0	0	112.7	R206 T208 T215	R206-A211 WeakPolarHBondContact O-CB 3.41Å; T208-A211 PolarHBondContact O-N 3.39Å; A211-T215 WeakPolarHBondContact O-CB 3.39Å; A211-T215 PolarHBondContact O-N 2.74Å; A211-T215 PolarHBondContact O-OG1 3.04Å
212	F	98.9	Very high	98.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-52.6	170.1	-179.2	-82.4	0	0	0	110.6	L199 I207 T208 N214 T215 I216 L259 M303 A306 A307 C310 L331	L199-F212 HydrophobicContact CB-CD2 4.37Å; L199-F212 HydrophobicContact CB-CE2 4.16Å; L199-F212 HydrophobicContact CD1-CD2 4.36Å; L199-F212 HydrophobicContact CD1-CE2 3.78Å; L199-F212 HydrophobicContact CD1-CZ 4.32Å; L199-F212 HydrophobicContact CD2-CD2 3.95Å; L199-F212 HydrophobicContact CD2-CE2 4.22Å; L199-F212 HydrophobicContact CG-CD2 4.46Å; L199-F212 HydrophobicContact CG-CE2 4.27Å; I207-F212 HydrophobicContact CG2-CB 3.83Å; I207-F212 HydrophobicContact CG2-CD2 3.95Å; I207-F212 HydrophobicContact CG2-CG 4.41Å; T208-F212 WeakPolarHBondContact O-CB 3.37Å; T208-F212 PolarHBondContact O-N 2.92Å; F212-N214 PolarHBondContact O-N 3.46Å; F212-T215 PolarHBondContact O-N 2.85Å; F212-I216 HydrophobicContact CD1-CG1 4.18Å; F212-I216 HydrophobicContact CE1-CG1 3.71Å; F212-I216 HydrophobicContact CZ-CD1 4.39Å; F212-I216 HydrophobicContact CZ-CG1 3.98Å; F212-I216 PolarHBondContact O-N 3Å; F212-L259 HydrophobicContact CD1-CD2 4.27Å; F212-L259 HydrophobicContact CE1-CD2 3.97Å; F212-M303 HydrophobicContact CD2-CE 3.7Å; F212-M303 HydrophobicContact CE2-CE 3.59Å; F212-A306 HydrophobicContact CE1-CB 4.09Å; F212-A306 HydrophobicContact CE2-CB 4.37Å; F212-A306 HydrophobicContact CZ-CB 3.74Å; F212-A307 HydrophobicContact CE2-CB 4.2Å; F212-C310 HydrophobicContact CE1-CB 4.47Å; F212-C310 HydrophobicContact CZ-CB 4.27Å; F212-L331 HydrophobicContact CB-CD2 4.22Å; F212-L331 HydrophobicContact CD1-CD1 3.65Å; F212-L331 HydrophobicContact CD1-CD2 3.46Å; F212-L331 VanDerWaalsContact CD1-CD2 3.46Å; F212-L331 HydrophobicContact CD1-CG 4.23Å; F212-L331 HydrophobicContact CD2-CD2 4.37Å; F212-L331 HydrophobicContact CE1-CD1 4.21Å; F212-L331 HydrophobicContact CE1-CD2 3.91Å; F212-L331 HydrophobicContact CG-CD2 3.75Å
213	A	98.9	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-42.1	-178.2	0	0	0	0	0	112.6	P209 T210 I216 E217 K231 V257 L259 L331	P209-A213 WeakPolarHBondContact O-CB 3.47Å; P209-A213 PolarHBondContact O-N 3.14Å; P209-A213 VanDerWaalsContact O-N 3.15Å; T210-A213 PolarHBondContact O-N 2.84Å; A213-I216 PolarHBondContact O-N 2.98Å; A213-E217 WeakPolarHBondContact O-CB 3.26Å; A213-E217 PolarHBondContact O-N 3.31Å; A213-K231 HydrophobicContact CB-CD 3.87Å; A213-K231 HydrophobicContact CB-CG 4.08Å; A213-V257 HydrophobicContact CB-CG1 4.02Å; A213-L259 HydrophobicContact CB-CD1 4.18Å; A213-L331 HydrophobicContact CB-CD1 4.49Å
214	N	98.9	Very high	98.5	Very high	55 Å²	55	50.6 Å²	50.6	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-43.6	173.9	-68.1	-10.7	0	0	0	111.8	T210 F212 I216 E217 E218 K231	T210-N214 WeakPolarHBondContact O-CB 3.25Å; T210-N214 PolarHBondContact O-N 3.12Å; T210-N214 PolarHBondContact O-OD1 3.17Å; F212-N214 PolarHBondContact O-N 3.46Å; N214-I216 VanDerWaalsContact C-N 3.3Å; N214-I216 PolarHBondContact O-N 3.46Å; N214-E217 WeakPolarHBondContact O-CB 3.3Å; N214-E217 PolarHBondContact O-N 3.41Å; N214-E217 VanDerWaalsContact O-N 3.16Å; N214-E218 WeakPolarHBondContact O-CG 3.35Å; N214-E218 PolarHBondContact O-N 2.99Å; N214-K231 PolarHBondContact OD1-NZ 2.54Å
215	T	98.9	Very high	98.4	Very high	21 Å²	21	55.9 Å²	55.9	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-39.2	178.5	-55.3	0	0	0	0	111.4	L199 A211 F212 K219	L199-T215 HydrophobicContact CD2-CG2 3.82Å; A211-T215 WeakPolarHBondContact O-CB 3.39Å; A211-T215 PolarHBondContact O-N 2.74Å; A211-T215 PolarHBondContact O-OG1 3.04Å; F212-T215 PolarHBondContact O-N 2.85Å; T215-K219 VanDerWaalsContact O-CG 3.26Å; T215-K219 WeakPolarHBondContact O-CG 3.4Å; T215-K219 PolarHBondContact O-N 2.7Å
216	I	98.9	Very high	98.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-40.7	175.2	-66.2	-56.6	0	0	0	111.7	L195 L199 F212 A213 N214 K219 L220 L259 L261 C310	L195-I216 HydrophobicContact CD2-CD1 4.41Å; L199-I216 HydrophobicContact CD1-CD1 3.7Å; F212-I216 HydrophobicContact CD1-CG1 4.18Å; F212-I216 HydrophobicContact CE1-CG1 3.71Å; F212-I216 HydrophobicContact CZ-CD1 4.39Å; F212-I216 HydrophobicContact CZ-CG1 3.98Å; F212-I216 PolarHBondContact O-N 3Å; A213-I216 PolarHBondContact O-N 2.98Å; N214-I216 VanDerWaalsContact C-N 3.3Å; N214-I216 PolarHBondContact O-N 3.46Å; I216-K219 PolarHBondContact O-N 2.88Å; I216-L220 HydrophobicContact CG2-CD1 3.63Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 VanDerWaalsContact O-CG 3.31Å; I216-L220 WeakPolarHBondContact O-CG 3.19Å; I216-L220 PolarHBondContact O-N 3.09Å; I216-L259 HydrophobicContact CB-CD2 4.23Å; I216-L259 HydrophobicContact CG1-CD2 4.44Å; I216-L259 HydrophobicContact CG2-CD2 4.13Å; I216-L261 HydrophobicContact CG2-CD1 3.98Å; I216-L261 HydrophobicContact CG2-CD2 4.12Å; I216-C310 HydrophobicContact CD1-CB 3.52Å; I216-C310 HydrophobicContact CG1-CB 3.74Å; I216-C310 HydrophobicContact CG2-CB 3.99Å
217	E	98.8	Very high	98.3	Very high	66 Å²	66	46.8 Å²	46.8	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-46.3	175.4	-169.7	177.1	-97.3	0	0	112.1	A213 N214 K219 L220 A221 V229 K231	A213-E217 WeakPolarHBondContact O-CB 3.26Å; A213-E217 PolarHBondContact O-N 3.31Å; N214-E217 WeakPolarHBondContact O-CB 3.3Å; N214-E217 PolarHBondContact O-N 3.41Å; N214-E217 VanDerWaalsContact O-N 3.16Å; E217-K219 VanDerWaalsContact C-N 3.29Å; E217-K219 PolarHBondContact O-N 3.3Å; E217-L220 CarbonylContact O-C 3.12Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.08Å; E217-A221 PolarHBondContact O-N 3Å; E217-V229 HydrophobicContact CB-CG1 4.1Å; E217-V229 HydrophobicContact CG-CB 4.27Å; E217-V229 HydrophobicContact CG-CG1 4.03Å; E217-V229 HydrophobicContact CG-CG2 4.44Å; E217-K231 WeakPolarHBondContact OE1-CD 3.3Å; E217-K231 WeakPolarHBondContact OE1-CE 3.44Å; E217-K231 IonicContact OE1-NZ 2.74Å; E217-K231 PolarHBondContact OE1-NZ 3.25Å; E217-K231 IonicContact OE2-NZ 3.62Å; E217-K231 PolarHBondContact OE2-NZ 3.19Å
218	E	98.8	Very high	98.3	Very high	132 Å²	132	49.9 Å²	49.9	62%	0.617	28%	0.278	S	S	*	.	H	α-helix	trans	-58.6	-36.7	174.9	-73.4	172.7	-158.1	0	0	113	N214 L220	N214-E218 WeakPolarHBondContact O-CG 3.35Å; N214-E218 PolarHBondContact O-N 2.99Å; E218-L220 VanDerWaalsContact C-N 3.35Å
219	K	98.7	Very high	98.3	Very high	104 Å²	104	50.2 Å²	50.2	45%	0.452	28%	0.28	S	S	.	.	H	α-helix	trans	-78.2	-18.3	177.4	-62.5	-62.6	173.9	-165.7	0	113.5	L195 T215 I216 E217 V314	L195-K219 HydrophobicContact CD1-CG 4.1Å; L195-K219 HydrophobicContact CD2-CB 4.21Å; L195-K219 HydrophobicContact CD2-CG 3.94Å; T215-K219 VanDerWaalsContact O-CG 3.26Å; T215-K219 WeakPolarHBondContact O-CG 3.4Å; T215-K219 PolarHBondContact O-N 2.7Å; I216-K219 PolarHBondContact O-N 2.88Å; E217-K219 VanDerWaalsContact C-N 3.29Å; E217-K219 PolarHBondContact O-N 3.3Å; K219-V314 HydrophobicContact CB-CG1 4.06Å; K219-V314 HydrophobicContact CB-CG2 3.88Å
220	L	98.6	Very high	98.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-97.6	-17.8	177.2	-68.2	170.1	0	0	0	113.2	I216 E217 E218 P222 H223 A224 V227 V229 L261 I313 V314	I216-L220 HydrophobicContact CG2-CD1 3.63Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 VanDerWaalsContact O-CG 3.31Å; I216-L220 WeakPolarHBondContact O-CG 3.19Å; I216-L220 PolarHBondContact O-N 3.09Å; E217-L220 CarbonylContact O-C 3.12Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.08Å; E218-L220 VanDerWaalsContact C-N 3.35Å; L220-P222 VanDerWaalsContact C-CD 3.4Å; L220-P222 VanDerWaalsContact C-N 3.33Å; L220-H223 CarbonylContact O-C 3.6Å; L220-H223 WeakPolarHBondContact O-CA 3.19Å; L220-H223 PolarHBondContact O-N 3.36Å; L220-A224 PolarHBondContact O-N 3.32Å; L220-V227 HydrophobicContact CB-CG1 3.97Å; L220-V227 HydrophobicContact CD1-CG1 3.98Å; L220-V227 HydrophobicContact CD2-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CG2 4.24Å; L220-V227 HydrophobicContact CG-CG1 4.24Å; L220-V229 HydrophobicContact CB-CG2 4.13Å; L220-V229 HydrophobicContact CD1-CG2 3.82Å; L220-L261 HydrophobicContact CD1-CD1 4.17Å; L220-L261 HydrophobicContact CD1-CD2 3.78Å; L220-I313 HydrophobicContact CD2-CG2 4.44Å; L220-V314 HydrophobicContact CD2-CB 4.21Å; L220-V314 HydrophobicContact CD2-CG2 3.59Å; L220-V314 HydrophobicContact CG-CG2 3.83Å
221	A	98.3	Very high	98.3	Very high	65 Å²	65	54.8 Å²	54.8	54%	0.537	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-52.6	-36.5	177.4	0	0	0	0	0	115	E217 H223 A224	E217-A221 PolarHBondContact O-N 3Å; A221-H223 PolarHBondContact O-N 3.17Å; A221-H223 VanDerWaalsContact O-N 3.09Å; A221-A224 PolarHBondContact O-N 3.31Å
222	P	98.3	Very high	98.3	Very high	93 Å²	93	56.5 Å²	56.5	60%	0.604	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-67.3	-2.6	173	-21.2	34.9	0	0	0	115.3	L220	L220-P222 VanDerWaalsContact C-CD 3.4Å; L220-P222 VanDerWaalsContact C-N 3.33Å
223	H	97.8	Very high	98.3	Very high	33 Å²	33	59.9 Å²	59.9	15%	0.153	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-129.6	19.1	-175.9	-54.7	-37.9	0	0	0	112.2	L220 A221 E225 R226 V227 A317 A318	L220-H223 CarbonylContact O-C 3.6Å; L220-H223 WeakPolarHBondContact O-CA 3.19Å; L220-H223 PolarHBondContact O-N 3.36Å; A221-H223 PolarHBondContact O-N 3.17Å; A221-H223 VanDerWaalsContact O-N 3.09Å; H223-E225 WeakPolarHBondContact CA-OE2 3.33Å; H223-E225 PolarHBondContact O-N 3.2Å; H223-R226 PolarHBondContact O-N 3.02Å; H223-V227 HydrophobicContact CB-CG2 3.94Å; H223-V227 WeakPolarHBondContact O-CB 3.4Å; H223-V227 WeakPolarHBondContact O-CG2 3.41Å; H223-V227 PolarHBondContact O-N 3.06Å; H223-A317 HydrophobicContact CB-CB 3.93Å; H223-A318 WeakPolarHBondContact NE2-CA 3.45Å
224	A	95.9	Very high	98.3	Very high	70 Å²	70	64.5 Å²	64.5	58%	0.579	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.6	-177	0	0	0	0	0	114.2	L220 A221 R226	L220-A224 PolarHBondContact O-N 3.32Å; A221-A224 PolarHBondContact O-N 3.31Å; A224-R226 PolarHBondContact O-N 3.35Å
225	E	96.2	Very high	98.3	Very high	122 Å²	122	64.2 Å²	64.2	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.7	172.2	88.2	-63	170.4	0	0	113.3	H223	H223-E225 WeakPolarHBondContact CA-OE2 3.33Å; H223-E225 PolarHBondContact O-N 3.2Å
226	R	96.4	Very high	98.3	Very high	89 Å²	89	64.2 Å²	64.2	34%	0.336	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-8.8	173.5	-61.6	-174.9	-172.7	-154.4	-3.1	114.2	H223 A224 Y263 S264	H223-R226 PolarHBondContact O-N 3.02Å; A224-R226 PolarHBondContact O-N 3.35Å; R226-Y263 HydrophobicContact CB-CD2 4.15Å; R226-Y263 HydrophobicContact CB-CE2 3.87Å; R226-S264 PolarHBondContact O-N 2.88Å
227	V	98	Very high	98.3	Very high	10 Å²	10	64.2 Å²	64.2	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.3	-174.6	-177.6	0	0	0	0	111.6	L220 H223 V229 H262 Y263 A317	L220-V227 HydrophobicContact CB-CG1 3.97Å; L220-V227 HydrophobicContact CD1-CG1 3.98Å; L220-V227 HydrophobicContact CD2-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CG2 4.24Å; L220-V227 HydrophobicContact CG-CG1 4.24Å; H223-V227 HydrophobicContact CB-CG2 3.94Å; H223-V227 WeakPolarHBondContact O-CB 3.4Å; H223-V227 WeakPolarHBondContact O-CG2 3.41Å; H223-V227 PolarHBondContact O-N 3.06Å; V227-V229 HydrophobicContact CG1-CG2 4.03Å; V227-H262 CarbonylContact C-O 3.58Å; V227-H262 VanDerWaalsContact CA-O 3.26Å; V227-H262 WeakPolarHBondContact CA-O 3.38Å; V227-Y263 HydrophobicContact CG2-CD2 3.78Å; V227-A317 HydrophobicContact CG2-CB 3.95Å
228	T	98.6	Very high	98.3	Very high	77 Å²	77	65.5 Å²	65.5	47%	0.472	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.3	164.4	-59	0	0	0	0	109.8	K230 H262	T228-K230 HydrophobicContact CG2-CG 4.13Å; T228-H262 PolarHBondContact N-O 2.66Å; T228-H262 PolarHBondContact O-N 2.97Å
229	V	98.8	Very high	98.3	Very high	34 Å²	34	65.8 Å²	65.8	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.3	174.8	-177.6	0	0	0	0	108.9	E217 L220 V227 K231 L259 L261	E217-V229 HydrophobicContact CB-CG1 4.1Å; E217-V229 HydrophobicContact CG-CB 4.27Å; E217-V229 HydrophobicContact CG-CG1 4.03Å; E217-V229 HydrophobicContact CG-CG2 4.44Å; L220-V229 HydrophobicContact CB-CG2 4.13Å; L220-V229 HydrophobicContact CD1-CG2 3.82Å; V227-V229 HydrophobicContact CG1-CG2 4.03Å; V229-K231 HydrophobicContact CG1-CG 4.35Å; V229-L259 HydrophobicContact CG1-CD1 3.91Å; V229-L261 HydrophobicContact CB-CD2 4.32Å; V229-L261 HydrophobicContact CG1-CD2 3.9Å; V229-L261 HydrophobicContact CG2-CD2 4.01Å
230	K	98.8	Very high	98.3	Very high	67 Å²	67	63.2 Å²	63.2	29%	0.291	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.3	174.4	-49.9	177.3	-153.2	158.6	0	109.2	T228 E260 H262	T228-K230 HydrophobicContact CG2-CG 4.13Å; K230-E260 HydrophobicContact CB-CB 4.25Å; K230-E260 WeakPolarHBondContact CD-OE1 3.4Å; K230-E260 WeakPolarHBondContact CE-OE1 3.49Å; K230-E260 PolarHBondContact N-O 3.42Å; K230-E260 IonicContact NZ-OE1 3.04Å; K230-E260 PolarHBondContact NZ-OE1 3.17Å; K230-E260 PolarHBondContact O-N 2.99Å; K230-H262 PolarHBondContact NZ-NE2 2.9Å
231	K	98.8	Very high	98.3	Very high	84 Å²	84	69.9 Å²	69.9	37%	0.365	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	95.3	176.7	-58.6	-178.9	-61.9	-162.8	0	108	A213 N214 E217 V229 V257 L259	A213-K231 HydrophobicContact CB-CD 3.87Å; A213-K231 HydrophobicContact CB-CG 4.08Å; N214-K231 PolarHBondContact OD1-NZ 2.54Å; E217-K231 WeakPolarHBondContact OE1-CD 3.3Å; E217-K231 WeakPolarHBondContact OE1-CE 3.44Å; E217-K231 IonicContact OE1-NZ 2.74Å; E217-K231 PolarHBondContact OE1-NZ 3.25Å; E217-K231 IonicContact OE2-NZ 3.62Å; E217-K231 PolarHBondContact OE2-NZ 3.19Å; V229-K231 HydrophobicContact CG1-CG 4.35Å; K231-V257 HydrophobicContact CB-CG1 4.2Å; K231-L259 HydrophobicContact CG-CD1 4.05Å
232	R	98.8	Very high	98.3	Very high	63 Å²	63	66.8 Å²	66.8	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.3	-174.4	-51.3	-67	-165.6	153.8	7.6	110.9	W236 F258 E260	R232-W236 HydrophobicContact CB-CB 4.21Å; R232-W236 HydrophobicContact CB-CD2 3.61Å; R232-W236 HydrophobicContact CB-CE3 3.35Å; R232-W236 HydrophobicContact CB-CG 4.01Å; R232-W236 HydrophobicContact CB-CZ3 3.93Å; R232-W236 HydrophobicContact CG-CD2 3.65Å; R232-W236 HydrophobicContact CG-CE3 3.6Å; R232-W236 HydrophobicContact CG-CG 4.28Å; R232-W236 HydrophobicContact CG-CH2 4.03Å; R232-W236 HydrophobicContact CG-CZ2 4.09Å; R232-W236 HydrophobicContact CG-CZ3 3.8Å; R232-F258 HydrophobicContact CB-CB 4.08Å; R232-F258 VanDerWaalsContact CB-O 3.25Å; R232-F258 WeakPolarHBondContact CB-O 3.27Å; R232-F258 HydrophobicContact CG-CD1 4.42Å; R232-F258 WeakPolarHBondContact CG-O 3.47Å; R232-F258 PolarHBondContact N-O 2.62Å; R232-F258 PolarHBondContact O-N 3.28Å; R232-E260 IonicContact CZ-OE2 2.75Å; R232-E260 IonicContact NE-OE2 2.71Å; R232-E260 PolarHBondContact NE-OE2 2.83Å; R232-E260 IonicContact NH2-OE1 2.67Å; R232-E260 IonicContact NH2-OE2 3.61Å; R232-E260 PolarHBondContact NH2-OE2 3.32Å
233	S	98.7	Very high	98.3	Very high	70 Å²	70	63.6 Å²	63.6	49%	0.49	33%	0.329	S	S	.	.			trans	-83.9	169.3	-179.6	64.4	0	0	0	0	112.7	A235 W236 M237	S233-A235 VanDerWaalsContact C-N 3.28Å; S233-A235 PolarHBondContact O-N 2.94Å; S233-W236 WeakPolarHBondContact O-CB 3.43Å; S233-W236 PolarHBondContact O-N 2.84Å; S233-W236 VanDerWaalsContact O-N 3.09Å; S233-M237 PolarHBondContact O-N 2.97Å
234	K	98.8	Very high	98.4	Very high	97 Å²	97	62 Å²	62	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-51.8	-42.7	174.1	-175.9	174.1	177.4	-78.3	0	113.2	W236 M237 E238 L246 P256	K234-W236 VanDerWaalsContact C-N 3.3Å; K234-W236 PolarHBondContact O-N 3.39Å; K234-M237 WeakPolarHBondContact O-CA 3.19Å; K234-M237 WeakPolarHBondContact O-CB 3.26Å; K234-M237 PolarHBondContact O-N 3.14Å; K234-E238 IonicContact NZ-OE1 2.81Å; K234-E238 PolarHBondContact NZ-OE1 2.94Å; K234-E238 IonicContact NZ-OE2 3.84Å; K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 3.32Å; K234-L246 HydrophobicContact CG-CD2 3.89Å; K234-P256 HydrophobicContact CB-CG 4.21Å; K234-P256 HydrophobicContact CD-CG 4.47Å; K234-P256 HydrophobicContact CG-CG 4.37Å
235	A	98.8	Very high	98.5	Very high	49 Å²	49	58.7 Å²	58.7	41%	0.405	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-40.1	178.1	0	0	0	0	0	112.3	S233 M237 E238 E239	S233-A235 VanDerWaalsContact C-N 3.28Å; S233-A235 PolarHBondContact O-N 2.94Å; A235-M237 VanDerWaalsContact C-N 3.33Å; A235-M237 PolarHBondContact O-N 2.9Å; A235-E238 WeakPolarHBondContact CA-OE2 3.49Å; A235-E238 WeakPolarHBondContact O-CB 3.32Å; A235-E238 PolarHBondContact O-N 2.83Å; A235-E239 WeakPolarHBondContact O-CG 3.22Å; A235-E239 PolarHBondContact O-N 3.32Å
236	W	98.8	Very high	98.6	Very high	22 Å²	22	54.1 Å²	54.1	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-32.5	174.8	179.8	84.5	0	0	0	112.6	R232 S233 K234 E238 Q240 M242 F258 Y374	R232-W236 HydrophobicContact CB-CB 4.21Å; R232-W236 HydrophobicContact CB-CD2 3.61Å; R232-W236 HydrophobicContact CB-CE3 3.35Å; R232-W236 HydrophobicContact CB-CG 4.01Å; R232-W236 HydrophobicContact CB-CZ3 3.93Å; R232-W236 HydrophobicContact CG-CD2 3.65Å; R232-W236 HydrophobicContact CG-CE3 3.6Å; R232-W236 HydrophobicContact CG-CG 4.28Å; R232-W236 HydrophobicContact CG-CH2 4.03Å; R232-W236 HydrophobicContact CG-CZ2 4.09Å; R232-W236 HydrophobicContact CG-CZ3 3.8Å; S233-W236 WeakPolarHBondContact O-CB 3.43Å; S233-W236 PolarHBondContact O-N 2.84Å; S233-W236 VanDerWaalsContact O-N 3.09Å; K234-W236 VanDerWaalsContact C-N 3.3Å; K234-W236 PolarHBondContact O-N 3.39Å; W236-E238 VanDerWaalsContact C-N 3.31Å; W236-Q240 HydrophobicContact CD2-CG 3.82Å; W236-Q240 HydrophobicContact CE3-CG 4.02Å; W236-Q240 HydrophobicContact CH2-CG 3.83Å; W236-Q240 HydrophobicContact CZ2-CG 3.57Å; W236-Q240 HydrophobicContact CZ3-CG 4.02Å; W236-Q240 VanDerWaalsContact O-CB 3.28Å; W236-Q240 WeakPolarHBondContact O-CB 3.43Å; W236-Q240 VanDerWaalsContact O-CG 3.23Å; W236-Q240 WeakPolarHBondContact O-CG 3.25Å; W236-Q240 PolarHBondContact O-N 3.12Å; W236-M242 HydrophobicContact CH2-CE 3.88Å; W236-M242 HydrophobicContact CZ3-CE 3.68Å; W236-M242 HydrophobicContact CZ3-SD 4.03Å; W236-F258 HydrophobicContact CE3-CB 4.4Å; W236-F258 AromaticContact CH2-CD1 3.85Å; W236-F258 HydrophobicContact CH2-CD1 3.85Å; W236-F258 HydrophobicContact CH2-CE1 4.02Å; W236-F258 HydrophobicContact CH2-CG 4.48Å; W236-F258 HydrophobicContact CZ3-CB 3.98Å; W236-F258 AromaticContact CZ3-CD1 3.56Å; W236-F258 HydrophobicContact CZ3-CD1 3.56Å; W236-F258 HydrophobicContact CZ3-CD2 4.47Å; W236-F258 HydrophobicContact CZ3-CE1 4.11Å; W236-F258 AromaticContact CZ3-CG 3.77Å; W236-F258 HydrophobicContact CZ3-CG 3.77Å; W236-Y374 HydrophobicContact CH2-CD1 4.11Å; W236-Y374 HydrophobicContact CH2-CD2 4.45Å; W236-Y374 AromaticContact CH2-CE1 3.71Å; W236-Y374 HydrophobicContact CH2-CE1 3.71Å; W236-Y374 HydrophobicContact CH2-CE2 4.1Å; W236-Y374 HydrophobicContact CH2-CG 4.47Å; W236-Y374 AromaticContact CH2-CZ 3.72Å; W236-Y374 HydrophobicContact CZ2-CE1 4.12Å; W236-Y374 AromaticContact CZ2-CE2 3.98Å; W236-Y374 HydrophobicContact CZ2-CE2 3.98Å; W236-Y374 AromaticContact CZ2-CZ 3.66Å
237	M	98.8	Very high	98.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-35.3	173.9	-54.5	167.8	-158	0	0	111.4	S233 K234 A235 Q240 Q241 M242 F245 L246 P256 V257 F258	S233-M237 PolarHBondContact O-N 2.97Å; K234-M237 WeakPolarHBondContact O-CA 3.19Å; K234-M237 WeakPolarHBondContact O-CB 3.26Å; K234-M237 PolarHBondContact O-N 3.14Å; A235-M237 VanDerWaalsContact C-N 3.33Å; A235-M237 PolarHBondContact O-N 2.9Å; M237-Q240 CarbonylContact O-C 3.44Å; M237-Q240 PolarHBondContact O-N 2.82Å; M237-Q241 PolarHBondContact O-N 3.05Å; M237-M242 HydrophobicContact CB-CB 4.28Å; M237-M242 HydrophobicContact CB-SD 4.3Å; M237-M242 HydrophobicContact CG-SD 4.37Å; M237-M242 PolarHBondContact O-N 3.25Å; M237-F245 HydrophobicContact CE-CE1 3.88Å; M237-F245 HydrophobicContact CE-CZ 4.31Å; M237-F245 HydrophobicContact CG-CD1 4.36Å; M237-F245 HydrophobicContact CG-CE1 4.16Å; M237-F245 HydrophobicContact SD-CD1 3.85Å; M237-F245 HydrophobicContact SD-CE1 3.35Å; M237-F245 WeakPolarHBondContact SD-CE1 3.45Å; M237-F245 HydrophobicContact SD-CZ 4.07Å; M237-L246 HydrophobicContact CB-CD1 4.28Å; M237-L246 HydrophobicContact CB-CD2 4.02Å; M237-L246 HydrophobicContact CB-CG 4.17Å; M237-L246 HydrophobicContact SD-CD2 4.25Å; M237-P256 HydrophobicContact CE-CB 3.9Å; M237-P256 HydrophobicContact CE-CG 4.1Å; M237-P256 VanDerWaalsContact CE-O 3.32Å; M237-P256 WeakPolarHBondContact CE-O 3.27Å; M237-P256 HydrophobicContact SD-CB 4.09Å; M237-P256 HydrophobicContact SD-CG 4.06Å; M237-V257 VanDerWaalsContact CE-C 3.49Å; M237-F258 HydrophobicContact CE-CB 4.01Å; M237-F258 VanDerWaalsContact CE-N 3.29Å; M237-F258 HydrophobicContact CG-CB 4.36Å
238	E	98.8	Very high	98.8	Very high	93 Å²	93	50 Å²	50	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-46.1	175.7	-68.3	166.6	150.5	0	0	110.6	K234 A235 W236 Q240 Q241 L246	K234-E238 IonicContact NZ-OE1 2.81Å; K234-E238 PolarHBondContact NZ-OE1 2.94Å; K234-E238 IonicContact NZ-OE2 3.84Å; K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 3.32Å; A235-E238 WeakPolarHBondContact CA-OE2 3.49Å; A235-E238 WeakPolarHBondContact O-CB 3.32Å; A235-E238 PolarHBondContact O-N 2.83Å; W236-E238 VanDerWaalsContact C-N 3.31Å; E238-Q240 VanDerWaalsContact C-N 3.27Å; E238-Q240 PolarHBondContact O-N 2.8Å; E238-Q241 PolarHBondContact O-N 3.43Å; E238-L246 HydrophobicContact CB-CD1 4.4Å; E238-L246 HydrophobicContact CG-CD1 3.57Å; E238-L246 HydrophobicContact CG-CD2 4.15Å
239	E	98.7	Very high	98.8	Very high	138 Å²	138	46.6 Å²	46.6	65%	0.645	24%	0.238	S	C	*	.	H	α-helix	trans	-56.5	-38.6	168.5	-70.4	166.2	-170.7	0	0	112.5	A235 Q241	A235-E239 WeakPolarHBondContact O-CG 3.22Å; A235-E239 PolarHBondContact O-N 3.32Å; E239-Q241 VanDerWaalsContact C-N 3.25Å; E239-Q241 PolarHBondContact O-N 2.8Å
240	Q	98.7	Very high	98.8	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.229	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.9	176.5	-71.1	-54.5	-54.3	0	0	114.1	W236 M237 E238 M242 K350	W236-Q240 HydrophobicContact CD2-CG 3.82Å; W236-Q240 HydrophobicContact CE3-CG 4.02Å; W236-Q240 HydrophobicContact CH2-CG 3.83Å; W236-Q240 HydrophobicContact CZ2-CG 3.57Å; W236-Q240 HydrophobicContact CZ3-CG 4.02Å; W236-Q240 VanDerWaalsContact O-CB 3.28Å; W236-Q240 WeakPolarHBondContact O-CB 3.43Å; W236-Q240 VanDerWaalsContact O-CG 3.23Å; W236-Q240 WeakPolarHBondContact O-CG 3.25Å; W236-Q240 PolarHBondContact O-N 3.12Å; M237-Q240 CarbonylContact O-C 3.44Å; M237-Q240 PolarHBondContact O-N 2.82Å; E238-Q240 VanDerWaalsContact C-N 3.27Å; E238-Q240 PolarHBondContact O-N 2.8Å; Q240-M242 HydrophobicContact CB-CE 4.03Å; Q240-M242 HydrophobicContact CB-CG 3.88Å; Q240-M242 HydrophobicContact CB-SD 4.29Å; Q240-M242 HydrophobicContact CG-CE 4.48Å; Q240-M242 PolarHBondContact O-N 2.74Å; Q240-K350 WeakPolarHBondContact O-CD 3.45Å; Q240-K350 WeakPolarHBondContact O-CG 3.34Å; Q240-K350 PolarHBondContact O-NZ 2.85Å
241	Q	98.8	Very high	98.8	Very high	143 Å²	143	46.5 Å²	46.5	67%	0.668	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	35.7	178	-53.7	179.4	-65.3	0	0	113.3	M237 E238 E239 G243	M237-Q241 PolarHBondContact O-N 3.05Å; E238-Q241 PolarHBondContact O-N 3.43Å; E239-Q241 VanDerWaalsContact C-N 3.25Å; E239-Q241 PolarHBondContact O-N 2.8Å; Q241-G243 PolarHBondContact O-N 3.04Å
242	M	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.			trans	-79.8	59.6	-179.8	-61.4	-175.5	164.7	0	0	111.7	W236 M237 Q240 A244 F245 L246 F258 K350 D370 Y374	W236-M242 HydrophobicContact CH2-CE 3.88Å; W236-M242 HydrophobicContact CZ3-CE 3.68Å; W236-M242 HydrophobicContact CZ3-SD 4.03Å; M237-M242 HydrophobicContact CB-CB 4.28Å; M237-M242 HydrophobicContact CB-SD 4.3Å; M237-M242 HydrophobicContact CG-SD 4.37Å; M237-M242 PolarHBondContact O-N 3.25Å; Q240-M242 HydrophobicContact CB-CE 4.03Å; Q240-M242 HydrophobicContact CB-CG 3.88Å; Q240-M242 HydrophobicContact CB-SD 4.29Å; Q240-M242 HydrophobicContact CG-CE 4.48Å; Q240-M242 PolarHBondContact O-N 2.74Å; M242-A244 VanDerWaalsContact C-N 3.33Å; M242-A244 PolarHBondContact O-N 2.74Å; M242-F245 HydrophobicContact CB-CB 4.29Å; M242-F245 PolarHBondContact O-N 3.41Å; M242-F245 HydrophobicContact SD-CD1 4.32Å; M242-L246 WeakPolarHBondContact O-CB 3.01Å; M242-L246 WeakPolarHBondContact O-CD1 3.45Å; M242-L246 WeakPolarHBondContact O-CG 3.24Å; M242-L246 PolarHBondContact O-N 2.91Å; M242-F258 HydrophobicContact CE-CD2 4.1Å; M242-F258 HydrophobicContact CE-CE1 4.47Å; M242-F258 HydrophobicContact CE-CE2 3.77Å; M242-F258 HydrophobicContact CE-CZ 3.98Å; M242-F258 HydrophobicContact SD-CD2 3.88Å; M242-F258 HydrophobicContact SD-CE2 4.04Å; M242-F258 HydrophobicContact SD-CG 4.5Å; M242-K350 HydrophobicContact CE-CD 4.31Å; M242-K350 HydrophobicContact CG-CD 4.34Å; M242-D370 WeakPolarHBondContact CA-OD2 3.49Å; M242-D370 HydrophobicContact CB-CB 3.92Å; M242-D370 HydrophobicContact CG-CB 3.98Å; M242-Y374 HydrophobicContact CE-CD1 4.3Å; M242-Y374 HydrophobicContact CE-CD2 4.44Å; M242-Y374 HydrophobicContact CE-CG 3.9Å
243	G	98.9	Very high	98.8	Very high	25 Å²	25	47.5 Å²	47.5	26%	0.258	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-30.5	-171.7	0	0	0	0	0	114.4	Q241 S247 T348 D370	Q241-G243 PolarHBondContact O-N 3.04Å; G243-S247 WeakPolarHBondContact O-CB 3.47Å; G243-S247 PolarHBondContact O-N 3.3Å; G243-T348 CarbonylContact C-O 3.59Å; G243-T348 VanDerWaalsContact CA-O 3.23Å; G243-T348 WeakPolarHBondContact CA-O 2.98Å; G243-D370 PolarHBondContact N-OD2 3.12Å
244	A	98.9	Very high	98.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-72.7	-44	178.1	0	0	0	0	0	110.8	M242 S247 V347 T348 A349 I355 L366 D370	M242-A244 VanDerWaalsContact C-N 3.33Å; M242-A244 PolarHBondContact O-N 2.74Å; A244-S247 PolarHBondContact O-N 2.81Å; A244-S247 PolarHBondContact O-OG 3.22Å; A244-V347 HydrophobicContact CB-CG2 4.27Å; A244-T348 PolarHBondContact N-O 2.81Å; A244-A349 HydrophobicContact CB-CB 4.3Å; A244-I355 HydrophobicContact CB-CD1 3.92Å; A244-L366 HydrophobicContact CB-CB 4.16Å; A244-L366 WeakPolarHBondContact CB-O 3.46Å; A244-D370 WeakPolarHBondContact CA-OD2 3.47Å; A244-D370 WeakPolarHBondContact CB-OD2 3.36Å; A244-D370 PolarHBondContact N-OD2 2.82Å
245	F	98.9	Very high	98.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-47.5	173.1	177.5	-151.1	0	0	0	111.8	M237 M242 S247 V248 A249 P256 F258 P330 C332 I367 D370	M237-F245 HydrophobicContact CE-CE1 3.88Å; M237-F245 HydrophobicContact CE-CZ 4.31Å; M237-F245 HydrophobicContact CG-CD1 4.36Å; M237-F245 HydrophobicContact CG-CE1 4.16Å; M237-F245 HydrophobicContact SD-CD1 3.85Å; M237-F245 HydrophobicContact SD-CE1 3.35Å; M237-F245 WeakPolarHBondContact SD-CE1 3.45Å; M237-F245 HydrophobicContact SD-CZ 4.07Å; M242-F245 HydrophobicContact CB-CB 4.29Å; M242-F245 PolarHBondContact O-N 3.41Å; M242-F245 HydrophobicContact SD-CD1 4.32Å; F245-S247 PolarHBondContact O-N 3.37Å; F245-V248 PolarHBondContact O-N 3.24Å; F245-A249 PolarHBondContact O-N 2.83Å; F245-A249 VanDerWaalsContact O-N 3.1Å; F245-P256 HydrophobicContact CZ-CB 4.13Å; F245-F258 HydrophobicContact CD1-CD2 4.24Å; F245-F258 HydrophobicContact CE1-CB 4.16Å; F245-F258 AromaticContact CE1-CD2 3.97Å; F245-F258 HydrophobicContact CE1-CD2 3.97Å; F245-P330 HydrophobicContact CD1-CB 3.97Å; F245-P330 HydrophobicContact CD2-CB 4Å; F245-P330 HydrophobicContact CE1-CB 3.72Å; F245-P330 HydrophobicContact CE2-CB 3.75Å; F245-P330 HydrophobicContact CG-CB 4.12Å; F245-P330 HydrophobicContact CZ-CB 3.61Å; F245-C332 HydrophobicContact CE2-CB 3.9Å; F245-I367 HydrophobicContact CB-CB 4.37Å; F245-I367 HydrophobicContact CD2-CB 3.69Å; F245-I367 HydrophobicContact CD2-CG2 3.61Å; F245-I367 HydrophobicContact CE2-CB 4.38Å; F245-I367 HydrophobicContact CE2-CG2 4.31Å; F245-I367 HydrophobicContact CG-CB 4.27Å; F245-I367 HydrophobicContact CG-CG2 4.49Å; F245-D370 HydrophobicContact CB-CB 4.32Å; F245-D370 PolarHBondContact N-OD2 2.91Å
246	L	98.9	Very high	98.8	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-32.4	177.8	-74.1	166.1	0	0	0	112.6	K234 M237 E238 M242 V248 R250	K234-L246 HydrophobicContact CG-CD2 3.89Å; M237-L246 HydrophobicContact CB-CD1 4.28Å; M237-L246 HydrophobicContact CB-CD2 4.02Å; M237-L246 HydrophobicContact CB-CG 4.17Å; M237-L246 HydrophobicContact SD-CD2 4.25Å; E238-L246 HydrophobicContact CB-CD1 4.4Å; E238-L246 HydrophobicContact CG-CD1 3.57Å; E238-L246 HydrophobicContact CG-CD2 4.15Å; M242-L246 WeakPolarHBondContact O-CB 3.01Å; M242-L246 WeakPolarHBondContact O-CD1 3.45Å; M242-L246 WeakPolarHBondContact O-CG 3.24Å; M242-L246 PolarHBondContact O-N 2.91Å; L246-V248 VanDerWaalsContact C-N 3.31Å; L246-V248 PolarHBondContact O-N 3.08Å; L246-R250 WeakPolarHBondContact O-CB 3.49Å; L246-R250 WeakPolarHBondContact O-CG 3.4Å; L246-R250 PolarHBondContact O-N 3.08Å
247	S	98.9	Very high	98.8	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-27.5	175.2	80.4	0	0	0	0	114	G243 A244 F245 R250 T341	G243-S247 WeakPolarHBondContact O-CB 3.47Å; G243-S247 PolarHBondContact O-N 3.3Å; A244-S247 PolarHBondContact O-N 2.81Å; A244-S247 PolarHBondContact O-OG 3.22Å; F245-S247 PolarHBondContact O-N 3.37Å; S247-R250 VanDerWaalsContact O-CG 3.29Å; S247-R250 WeakPolarHBondContact O-CG 3.3Å; S247-R250 PolarHBondContact O-NE 2.94Å; S247-T341 PolarHBondContact O-OG1 3.47Å
248	V	98.9	Very high	98.8	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-77.6	-55.1	173	-178.6	0	0	0	0	108.6	F245 L246 R250 G251 I281 N334 E363 L366 I367	F245-V248 PolarHBondContact O-N 3.24Å; L246-V248 VanDerWaalsContact C-N 3.31Å; L246-V248 PolarHBondContact O-N 3.08Å; V248-R250 VanDerWaalsContact C-N 3.26Å; V248-R250 PolarHBondContact O-N 3.33Å; V248-R250 VanDerWaalsContact O-N 3.14Å; V248-G251 PolarHBondContact O-N 3.2Å; V248-G251 VanDerWaalsContact O-N 3.12Å; V248-I281 HydrophobicContact CG1-CD1 4Å; V248-N334 HydrophobicContact CG1-CB 4.06Å; V248-E363 HydrophobicContact CB-CB 4.45Å; V248-E363 HydrophobicContact CG1-CB 3.76Å; V248-E363 HydrophobicContact CG1-CG 4.13Å; V248-E363 HydrophobicContact CG2-CB 3.78Å; V248-L366 HydrophobicContact CG2-CB 4.03Å; V248-L366 HydrophobicContact CG2-CD1 3.97Å; V248-I367 HydrophobicContact CB-CG2 3.95Å; V248-I367 HydrophobicContact CG1-CG2 4.27Å; V248-I367 HydrophobicContact CG2-CG2 3.75Å
249	A	98.9	Very high	98.8	Very high	6 Å²	6	39 Å²	39	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-32.8	-174.1	0	0	0	0	0	114.3	F245 G251 S252 P256 C332	F245-A249 PolarHBondContact O-N 2.83Å; F245-A249 VanDerWaalsContact O-N 3.1Å; A249-G251 PolarHBondContact O-N 2.78Å; A249-S252 PolarHBondContact O-N 3Å; A249-P256 HydrophobicContact CB-CB 3.67Å; A249-P256 HydrophobicContact CB-CG 3.79Å; A249-C332 HydrophobicContact CB-CB 3.65Å
250	R	98.6	Very high	98.8	Very high	96 Å²	96	32.4 Å²	32.4	36%	0.362	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.5	179	66.1	174.1	175.8	168	-1	114.5	L246 S247 V248 K339 T341 D345	L246-R250 WeakPolarHBondContact O-CB 3.49Å; L246-R250 WeakPolarHBondContact O-CG 3.4Å; L246-R250 PolarHBondContact O-N 3.08Å; S247-R250 VanDerWaalsContact O-CG 3.29Å; S247-R250 WeakPolarHBondContact O-CG 3.3Å; S247-R250 PolarHBondContact O-NE 2.94Å; V248-R250 VanDerWaalsContact C-N 3.26Å; V248-R250 PolarHBondContact O-N 3.33Å; V248-R250 VanDerWaalsContact O-N 3.14Å; R250-K339 WeakPolarHBondContact CD-O 3.3Å; R250-K339 WeakPolarHBondContact CG-O 3.48Å; R250-K339 WeakPolarHBondContact O-CD 3.25Å; R250-K339 WeakPolarHBondContact O-CE 3.17Å; R250-K339 VanDerWaalsContact O-CG 3.25Å; R250-K339 WeakPolarHBondContact O-CG 3.26Å; R250-T341 PolarHBondContact NE-OG1 3.47Å; R250-T341 PolarHBondContact NH2-OG1 3.15Å; R250-D345 IonicContact NH2-OD2 2.59Å; R250-D345 PolarHBondContact NH2-OD2 3.04Å
251	G	98.6	Very high	98.8	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.031	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-37.5	178.8	0	0	0	0	0	114.4	V248 A249 M335 S337	V248-G251 PolarHBondContact O-N 3.2Å; V248-G251 VanDerWaalsContact O-N 3.12Å; A249-G251 PolarHBondContact O-N 2.78Å; G251-M335 CarbonylContact C-O 3.57Å; G251-M335 WeakPolarHBondContact CA-O 2.96Å; G251-S337 VanDerWaalsContact O-CB 3.31Å; G251-S337 WeakPolarHBondContact O-CB 3.44Å; G251-S337 PolarHBondContact O-OG 3.06Å
252	S	98.8	Very high	98.8	Very high	17 Å²	17	25.1 Å²	25.1	12%	0.119	13%	0.134	C	C	.	.	S	Bend	trans	-93.8	168.5	-178.8	-166.3	0	0	0	0	113	A249 E254 E333 K339	A249-S252 PolarHBondContact O-N 3Å; S252-E254 PolarHBondContact OG-N 2.82Å; S252-E333 WeakPolarHBondContact CB-OE2 3.34Å; S252-E333 PolarHBondContact OG-OE2 3.02Å; S252-K339 VanDerWaalsContact O-CE 3.26Å; S252-K339 WeakPolarHBondContact O-CE 3.5Å; S252-K339 PolarHBondContact O-NZ 3.09Å
253	E	98.7	Very high	98.8	Very high	150 Å²	150	25.2 Å²	25.2	70%	0.701	13%	0.134	S	C	*	.	S	Bend	trans	-88.1	-16.7	163.3	-57.7	-52.2	146.8	0	0	112.6	P255 K339	E253-P255 WeakPolarHBondContact O-CD 3.17Å; E253-K339 WeakPolarHBondContact OE1-CE 3.35Å; E253-K339 IonicContact OE1-NZ 2.66Å; E253-K339 PolarHBondContact OE1-NZ 2.8Å; E253-K339 IonicContact OE2-NZ 2.88Å; E253-K339 PolarHBondContact OE2-NZ 2.64Å
254	E	98.8	Very high	98.8	Very high	53 Å²	53	27.2 Å²	27.2	25%	0.248	14%	0.144	C	C	.	.	S	Bend	trans	-69.4	125.3	176.8	179.8	60.6	-159.9	0	0	110.8	T208 P209 S252 E333	T208-E254 VanDerWaalsContact CB-CD 3.49Å; T208-E254 WeakPolarHBondContact CB-OE1 3.4Å; T208-E254 PolarHBondContact OG1-OE1 3.11Å; P209-E254 VanDerWaalsContact CD-CG 3.43Å; P209-E254 HydrophobicContact CG-CG 4.12Å; S252-E254 PolarHBondContact OG-N 2.82Å; E254-E333 HydrophobicContact CB-CG 4.43Å
255	P	98.7	Very high	98.6	Very high	73 Å²	73	27.4 Å²	27.4	47%	0.474	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-65.5	133.7	-175.5	-24.3	35.1	0	0	0	113.5	E253	E253-P255 WeakPolarHBondContact O-CD 3.17Å
256	P	98.9	Very high	98.4	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.078	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-72	149.5	173.3	31.6	-36.3	0	0	0	111.7	K234 M237 F245 A249 L331 C332	K234-P256 HydrophobicContact CB-CG 4.21Å; K234-P256 HydrophobicContact CD-CG 4.47Å; K234-P256 HydrophobicContact CG-CG 4.37Å; M237-P256 HydrophobicContact CE-CB 3.9Å; M237-P256 HydrophobicContact CE-CG 4.1Å; M237-P256 VanDerWaalsContact CE-O 3.32Å; M237-P256 WeakPolarHBondContact CE-O 3.27Å; M237-P256 HydrophobicContact SD-CB 4.09Å; M237-P256 HydrophobicContact SD-CG 4.06Å; F245-P256 HydrophobicContact CZ-CB 4.13Å; A249-P256 HydrophobicContact CB-CB 3.67Å; A249-P256 HydrophobicContact CB-CG 3.79Å; P256-L331 CarbonylContact C-O 3.53Å; P256-L331 VanDerWaalsContact CA-O 3.27Å; P256-L331 WeakPolarHBondContact CA-O 3.24Å; P256-C332 HydrophobicContact CB-CB 3.96Å
257	V	98.9	Very high	98.1	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.4	172.7	178.8	0	0	0	0	108.7	P209 A213 K231 M237 L331	P209-V257 HydrophobicContact CB-CB 4.25Å; P209-V257 HydrophobicContact CB-CG2 4.15Å; A213-V257 HydrophobicContact CB-CG1 4.02Å; K231-V257 HydrophobicContact CB-CG1 4.2Å; M237-V257 VanDerWaalsContact CE-C 3.49Å; V257-L331 PolarHBondContact N-O 3.35Å; V257-L331 WeakPolarHBondContact O-CA 3.47Å; V257-L331 WeakPolarHBondContact O-CB 3.18Å; V257-L331 PolarHBondContact O-N 2.94Å
258	F	98.9	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.4	166.3	-171.5	-80	0	0	0	107.4	R232 W236 M237 M242 F245 L328 P330 A371 Y374	R232-F258 HydrophobicContact CB-CB 4.08Å; R232-F258 VanDerWaalsContact CB-O 3.25Å; R232-F258 WeakPolarHBondContact CB-O 3.27Å; R232-F258 HydrophobicContact CG-CD1 4.42Å; R232-F258 WeakPolarHBondContact CG-O 3.47Å; R232-F258 PolarHBondContact N-O 2.62Å; R232-F258 PolarHBondContact O-N 3.28Å; W236-F258 HydrophobicContact CE3-CB 4.4Å; W236-F258 AromaticContact CH2-CD1 3.85Å; W236-F258 HydrophobicContact CH2-CD1 3.85Å; W236-F258 HydrophobicContact CH2-CE1 4.02Å; W236-F258 HydrophobicContact CH2-CG 4.48Å; W236-F258 HydrophobicContact CZ3-CB 3.98Å; W236-F258 AromaticContact CZ3-CD1 3.56Å; W236-F258 HydrophobicContact CZ3-CD1 3.56Å; W236-F258 HydrophobicContact CZ3-CD2 4.47Å; W236-F258 HydrophobicContact CZ3-CE1 4.11Å; W236-F258 AromaticContact CZ3-CG 3.77Å; W236-F258 HydrophobicContact CZ3-CG 3.77Å; M237-F258 HydrophobicContact CE-CB 4.01Å; M237-F258 VanDerWaalsContact CE-N 3.29Å; M237-F258 HydrophobicContact CG-CB 4.36Å; M242-F258 HydrophobicContact CE-CD2 4.1Å; M242-F258 HydrophobicContact CE-CE1 4.47Å; M242-F258 HydrophobicContact CE-CE2 3.77Å; M242-F258 HydrophobicContact CE-CZ 3.98Å; M242-F258 HydrophobicContact SD-CD2 3.88Å; M242-F258 HydrophobicContact SD-CE2 4.04Å; M242-F258 HydrophobicContact SD-CG 4.5Å; F245-F258 HydrophobicContact CD1-CD2 4.24Å; F245-F258 HydrophobicContact CE1-CB 4.16Å; F245-F258 AromaticContact CE1-CD2 3.97Å; F245-F258 HydrophobicContact CE1-CD2 3.97Å; F258-L328 HydrophobicContact CE1-CB 4.39Å; F258-L328 HydrophobicContact CE1-CD2 4.01Å; F258-L328 HydrophobicContact CZ-CB 4.11Å; F258-L328 HydrophobicContact CZ-CD1 4.33Å; F258-L328 HydrophobicContact CZ-CD2 4.35Å; F258-P330 HydrophobicContact CD2-CB 3.92Å; F258-P330 HydrophobicContact CE2-CB 4.16Å; F258-A371 HydrophobicContact CE2-CB 3.85Å; F258-A371 HydrophobicContact CZ-CB 4.21Å; F258-Y374 AromaticContact CE1-CD1 3.71Å; F258-Y374 HydrophobicContact CE1-CD1 3.71Å; F258-Y374 AromaticContact CE1-CE1 3.95Å; F258-Y374 HydrophobicContact CE1-CE1 3.95Å; F258-Y374 AromaticContact CZ-CD1 3.74Å; F258-Y374 HydrophobicContact CZ-CD1 3.74Å; F258-Y374 HydrophobicContact CZ-CE1 4.44Å
259	L	98.9	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.7	-178.3	179.4	66.1	0	0	0	109.5	F212 A213 I216 V229 K231 L261 L328 A329 L331	F212-L259 HydrophobicContact CD1-CD2 4.27Å; F212-L259 HydrophobicContact CE1-CD2 3.97Å; A213-L259 HydrophobicContact CB-CD1 4.18Å; I216-L259 HydrophobicContact CB-CD2 4.23Å; I216-L259 HydrophobicContact CG1-CD2 4.44Å; I216-L259 HydrophobicContact CG2-CD2 4.13Å; V229-L259 HydrophobicContact CG1-CD1 3.91Å; K231-L259 HydrophobicContact CG-CD1 4.05Å; L259-L261 HydrophobicContact CD1-CD2 3.85Å; L259-L261 HydrophobicContact CD2-CD2 4.27Å; L259-L261 HydrophobicContact CG-CD2 3.94Å; L259-L261 HydrophobicContact CG-CG 4.22Å; L259-L328 CarbonylContact O-C 3.6Å; L259-L328 WeakPolarHBondContact O-CA 3.44Å; L259-A329 HydrophobicContact CB-CB 4.25Å; L259-A329 PolarHBondContact N-O 2.99Å; L259-A329 PolarHBondContact O-N 3.07Å; L259-L331 HydrophobicContact CB-CD1 3.75Å; L259-L331 HydrophobicContact CD2-CD1 4.38Å
260	E	98.9	Very high	96.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.4	-179.4	177.8	-161	151.2	0	0	108.7	K230 R232 H262 G327 L328 Y374	K230-E260 HydrophobicContact CB-CB 4.25Å; K230-E260 WeakPolarHBondContact CD-OE1 3.4Å; K230-E260 WeakPolarHBondContact CE-OE1 3.49Å; K230-E260 PolarHBondContact N-O 3.42Å; K230-E260 IonicContact NZ-OE1 3.04Å; K230-E260 PolarHBondContact NZ-OE1 3.17Å; K230-E260 PolarHBondContact O-N 2.99Å; R232-E260 IonicContact CZ-OE2 2.75Å; R232-E260 IonicContact NE-OE2 2.71Å; R232-E260 PolarHBondContact NE-OE2 2.83Å; R232-E260 IonicContact NH2-OE1 2.67Å; R232-E260 IonicContact NH2-OE2 3.61Å; R232-E260 PolarHBondContact NH2-OE2 3.32Å; E260-H262 IonicContact OE1-CD2 2.79Å; E260-H262 IonicContact OE1-CE1 3.24Å; E260-H262 IonicContact OE1-NE2 3.07Å; E260-H262 PolarHBondContact OE1-NE2 3.38Å; E260-G327 WeakPolarHBondContact CA-O 3.49Å; E260-L328 HydrophobicContact CB-CD2 4.26Å; E260-L328 HydrophobicContact CG-CD2 3.95Å; E260-Y374 PolarHBondContact OE2-OH 3.49Å
261	L	98.9	Very high	96.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.5	-177.3	-53.1	178.9	0	0	0	109.4	I216 L220 V229 L259 C310 I313 V326 G327	I216-L261 HydrophobicContact CG2-CD1 3.98Å; I216-L261 HydrophobicContact CG2-CD2 4.12Å; L220-L261 HydrophobicContact CD1-CD1 4.17Å; L220-L261 HydrophobicContact CD1-CD2 3.78Å; V229-L261 HydrophobicContact CB-CD2 4.32Å; V229-L261 HydrophobicContact CG1-CD2 3.9Å; V229-L261 HydrophobicContact CG2-CD2 4.01Å; L259-L261 HydrophobicContact CD1-CD2 3.85Å; L259-L261 HydrophobicContact CD2-CD2 4.27Å; L259-L261 HydrophobicContact CG-CD2 3.94Å; L259-L261 HydrophobicContact CG-CG 4.22Å; L261-C310 HydrophobicContact CD1-CB 4.15Å; L261-I313 HydrophobicContact CB-CD1 4.47Å; L261-I313 HydrophobicContact CD1-CD1 4.07Å; L261-I313 HydrophobicContact CD1-CG2 4.44Å; L261-V326 CarbonylContact O-C 3.48Å; L261-V326 WeakPolarHBondContact O-CA 3.43Å; L261-G327 PolarHBondContact N-O 3.47Å; L261-G327 PolarHBondContact O-N 3.41Å
262	H	98.8	Very high	96.4	Very high	37 Å²	37	48.2 Å²	48.2	17%	0.171	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.5	171.3	-68.3	-105.7	0	0	0	108.6	V227 T228 K230 E260 F378	V227-H262 CarbonylContact C-O 3.58Å; V227-H262 VanDerWaalsContact CA-O 3.26Å; V227-H262 WeakPolarHBondContact CA-O 3.38Å; T228-H262 PolarHBondContact N-O 2.66Å; T228-H262 PolarHBondContact O-N 2.97Å; K230-H262 PolarHBondContact NZ-NE2 2.9Å; E260-H262 IonicContact OE1-CD2 2.79Å; E260-H262 IonicContact OE1-CE1 3.24Å; E260-H262 IonicContact OE1-NE2 3.07Å; E260-H262 PolarHBondContact OE1-NE2 3.38Å; H262-F378 AromaticContact CE1-CE1 3.55Å
263	Y	98.5	Very high	96.4	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.7	172	174.1	-117.1	0	0	0	110	R226 V227 G265 A316 A317 K320 L321 V323 N324 I325	R226-Y263 HydrophobicContact CB-CD2 4.15Å; R226-Y263 HydrophobicContact CB-CE2 3.87Å; V227-Y263 HydrophobicContact CG2-CD2 3.78Å; Y263-G265 VanDerWaalsContact CE1-CA 3.49Å; Y263-G265 VanDerWaalsContact CZ-CA 3.47Å; Y263-G265 PolarHBondContact O-N 2.91Å; Y263-A316 HydrophobicContact CE1-CB 4.49Å; Y263-A316 PolarHBondContact OH-O 2.8Å; Y263-A317 HydrophobicContact CD2-CB 3.96Å; Y263-A317 HydrophobicContact CE2-CB 3.78Å; Y263-K320 VanDerWaalsContact OH-C 3.24Å; Y263-K320 VanDerWaalsContact OH-CA 3.29Å; Y263-K320 WeakPolarHBondContact OH-CA 3.27Å; Y263-L321 WeakPolarHBondContact CE1-O 3.36Å; Y263-L321 PolarHBondContact OH-N 3.04Å; Y263-L321 PolarHBondContact OH-O 2.87Å; Y263-V323 WeakPolarHBondContact CD1-O 3.5Å; Y263-V323 WeakPolarHBondContact CE1-O 3.16Å; Y263-N324 WeakPolarHBondContact O-CA 3.26Å; Y263-I325 HydrophobicContact CD1-CB 4.39Å; Y263-I325 HydrophobicContact CD1-CD1 4.14Å; Y263-I325 HydrophobicContact CD1-CG1 4.14Å; Y263-I325 PolarHBondContact N-O 3.45Å; Y263-I325 PolarHBondContact O-N 3.42Å
264	S	97.4	Very high	96.4	Very high	66 Å²	66	41.1 Å²	41.1	46%	0.462	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	71.7	177.6	-59.7	0	0	0	0	109.8	R226	R226-S264 PolarHBondContact O-N 2.88Å
265	G	96.3	Very high	96.4	Very high	5 Å²	5	38.6 Å²	38.6	5%	0.052	24%	0.24	C	C	.	.			trans	-78.3	-29.2	179.1	0	0	0	0	0	114.1	Y263 L321 P322 V323 N324	Y263-G265 VanDerWaalsContact CE1-CA 3.49Å; Y263-G265 VanDerWaalsContact CZ-CA 3.47Å; Y263-G265 PolarHBondContact O-N 2.91Å; G265-L321 WeakPolarHBondContact CA-O 3.32Å; G265-P322 WeakPolarHBondContact O-CA 3.31Å; G265-V323 WeakPolarHBondContact CA-O 3.48Å; G265-V323 PolarHBondContact N-O 2.97Å; G265-N324 PolarHBondContact N-OD1 2.86Å
266	S	94.7	Very high	96.4	Very high	26 Å²	26	35.2 Å²	35.2	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-75.5	150.2	-175	-167.4	0	0	0	0	113.2	N268 Q271 N324	S266-N268 WeakPolarHBondContact CB-O 3.35Å; S266-N268 PolarHBondContact O-N 3.07Å; S266-N268 PolarHBondContact OG-N 3.43Å; S266-Q271 PolarHBondContact OG-OE1 3.43Å; S266-N324 WeakPolarHBondContact CB-OD1 3.18Å; S266-N324 PolarHBondContact N-OD1 3.3Å
267	A	92.1	Very high	96.4	Very high	115 Å²	115	34.7 Å²	34.7	95%	0.95	21%	0.214	S	C	*	.	S	Bend	trans	-66.6	-22.2	166.3	0	0	0	0	0	112.4
268	N	92.1	Very high	96.4	Very high	87 Å²	87	34 Å²	34	47%	0.465	21%	0.21	S	C	.	.			trans	-101.9	105.3	172.6	-178.2	3.8	0	0	0	110.2	S266 Q270 Q271 N324	S266-N268 WeakPolarHBondContact CB-O 3.35Å; S266-N268 PolarHBondContact O-N 3.07Å; S266-N268 PolarHBondContact OG-N 3.43Å; N268-Q270 PolarHBondContact O-N 2.95Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.46Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.46Å; N268-Q270 PolarHBondContact OD1-N 3.46Å; N268-Q271 HydrophobicContact CB-CB 4.29Å; N268-Q271 WeakPolarHBondContact O-CB 3.38Å; N268-Q271 PolarHBondContact O-N 3.37Å; N268-N324 PolarHBondContact O-ND2 3.47Å
269	S	87.6	Confident	96.4	Very high	89 Å²	89	34.1 Å²	34.1	62%	0.622	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	176.5	58.1	0	0	0	0	114
270	Q	90.3	Very high	96.4	Very high	156 Å²	156	34.1 Å²	34.1	73%	0.729	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.1	174.8	-53.7	-58.4	-47.4	0	0	113.2	N268 P272	N268-Q270 PolarHBondContact O-N 2.95Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.46Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.46Å; N268-Q270 PolarHBondContact OD1-N 3.46Å; Q270-P272 VanDerWaalsContact O-CD 3.31Å; Q270-P272 WeakPolarHBondContact O-CD 3.28Å
271	Q	92.6	Very high	96.4	Very high	39 Å²	39	34.1 Å²	34.1	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-63.2	122.9	173.2	-178.1	-174.7	12.7	0	0	109.3	S266 N268 N324	S266-Q271 PolarHBondContact OG-OE1 3.43Å; N268-Q271 HydrophobicContact CB-CB 4.29Å; N268-Q271 WeakPolarHBondContact O-CB 3.38Å; N268-Q271 PolarHBondContact O-N 3.37Å; Q271-N324 PolarHBondContact O-ND2 3.01Å
272	P	95.9	Very high	96.4	Very high	69 Å²	69	34 Å²	34	45%	0.448	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-55.3	125.5	179	-29.1	37.5	0	0	0	111.6	Q270 R381	Q270-P272 VanDerWaalsContact O-CD 3.31Å; Q270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-R381 HydrophobicContact CB-CB 4.22Å
273	P	97.8	Very high	96.4	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-71.8	156.6	-168.3	27.9	-35.1	0	0	0	112.4	N324 V326 F378 P380 R381	P273-N324 CarbonylContact C-O 3.57Å; P273-N324 WeakPolarHBondContact CA-O 3.37Å; P273-N324 HydrophobicContact CB-CB 4.2Å; P273-V326 HydrophobicContact CB-CG2 3.89Å; P273-V326 HydrophobicContact CG-CG2 3.91Å; P273-F378 HydrophobicContact CG-CB 4.31Å; P273-P380 HydrophobicContact CG-CB 4.4Å; P273-P380 CarbonylContact O-C 3.46Å; P273-P380 WeakPolarHBondContact O-CA 3.21Å; P273-P380 WeakPolarHBondContact O-CB 3.32Å; P273-R381 PolarHBondContact O-N 2.89Å
274	L	98.4	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.9	153.7	171.5	62.7	0	0	0	108	L276 N324 I325 V326 A382 V384 F508 A509 L512	L274-L276 HydrophobicContact CD1-CD2 4.18Å; L274-L276 HydrophobicContact CD2-CD2 3.95Å; L274-L276 HydrophobicContact CD2-CG 4.29Å; L274-L276 HydrophobicContact CG-CD2 3.94Å; L274-L276 HydrophobicContact CG-CG 4.21Å; L274-N324 PolarHBondContact N-O 3.36Å; L274-I325 HydrophobicContact CB-CG1 4.49Å; L274-I325 CarbonylContact O-C 3.37Å; L274-I325 VanDerWaalsContact O-CA 3.32Å; L274-I325 WeakPolarHBondContact O-CA 3.35Å; L274-I325 WeakPolarHBondContact O-CG2 3.33Å; L274-V326 PolarHBondContact O-N 3.04Å; L274-A382 HydrophobicContact CD1-CB 4.16Å; L274-V384 HydrophobicContact CD1-CG2 4.4Å; L274-F508 HydrophobicContact CD1-CE1 3.77Å; L274-F508 HydrophobicContact CD1-CZ 4.15Å; L274-F508 HydrophobicContact CD2-CD1 4.28Å; L274-F508 HydrophobicContact CD2-CE1 3.85Å; L274-F508 HydrophobicContact CG-CE1 4.48Å; L274-A509 HydrophobicContact CD2-CB 4.06Å; L274-L512 HydrophobicContact CD1-CD1 4.17Å; L274-L512 HydrophobicContact CD2-CD1 4.32Å
275	L	98.9	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124	172.9	-177.5	70.5	0	0	0	110.2	V277 V326 L328 G375 F378 P380 A382 I383 V384	L275-V277 HydrophobicContact CD1-CG2 4.41Å; L275-V277 HydrophobicContact CD2-CG2 3.94Å; L275-V277 HydrophobicContact CG-CG2 3.87Å; L275-V326 WeakPolarHBondContact CA-O 3.49Å; L275-V326 HydrophobicContact CD1-CB 3.81Å; L275-V326 HydrophobicContact CD1-CG1 3.69Å; L275-L328 HydrophobicContact CD1-CD1 3.83Å; L275-L328 HydrophobicContact CD1-CG 3.91Å; L275-G375 VanDerWaalsContact CD2-CA 3.4Å; L275-F378 HydrophobicContact CD1-CD2 4.33Å; L275-P380 HydrophobicContact CB-CB 3.65Å; L275-P380 HydrophobicContact CB-CG 3.93Å; L275-P380 HydrophobicContact CD2-CG 4.21Å; L275-A382 PolarHBondContact N-O 3.33Å; L275-I383 HydrophobicContact CB-CG1 4.24Å; L275-I383 HydrophobicContact CD2-CB 4.47Å; L275-I383 HydrophobicContact CD2-CD1 4.06Å; L275-I383 HydrophobicContact CD2-CG1 3.97Å; L275-I383 HydrophobicContact CD2-CG2 3.93Å; L275-I383 HydrophobicContact CG-CG2 4.4Å; L275-I383 CarbonylContact O-C 3.41Å; L275-I383 WeakPolarHBondContact O-CA 3.46Å; L275-V384 PolarHBondContact O-N 3.18Å
276	L	98.9	Very high	96.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	172.1	-59	-177.3	0	0	0	109.8	L274 V309 I313 I325 V326 G327 L328 V384	L274-L276 HydrophobicContact CD1-CD2 4.18Å; L274-L276 HydrophobicContact CD2-CD2 3.95Å; L274-L276 HydrophobicContact CD2-CG 4.29Å; L274-L276 HydrophobicContact CG-CD2 3.94Å; L274-L276 HydrophobicContact CG-CG 4.21Å; L276-V309 HydrophobicContact CB-CB 4.43Å; L276-V309 HydrophobicContact CB-CG1 3.56Å; L276-V309 HydrophobicContact CB-CG2 4.15Å; L276-I313 HydrophobicContact CD1-CD1 4.35Å; L276-I313 HydrophobicContact CD1-CG1 4.15Å; L276-I325 HydrophobicContact CD1-CG2 3.91Å; L276-I325 HydrophobicContact CG-CG2 4Å; L276-V326 PolarHBondContact N-O 2.98Å; L276-G327 CarbonylContact O-C 3.21Å; L276-G327 WeakPolarHBondContact O-CA 3.43Å; L276-L328 PolarHBondContact O-N 3.31Å; L276-V384 WeakPolarHBondContact CA-O 3.32Å; L276-V384 HydrophobicContact CD2-CB 3.89Å
277	V	98.9	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.1	-177.5	-172.6	0	0	0	0	111	L275 L328 L368 A371 L372 I383 V384 N385 V386	L275-V277 HydrophobicContact CD1-CG2 4.41Å; L275-V277 HydrophobicContact CD2-CG2 3.94Å; L275-V277 HydrophobicContact CG-CG2 3.87Å; V277-L328 CarbonylContact C-O 3.49Å; V277-L328 WeakPolarHBondContact CA-O 3.15Å; V277-L328 HydrophobicContact CG1-CB 4.29Å; V277-L328 HydrophobicContact CG2-CB 4.29Å; V277-L328 HydrophobicContact CG2-CD1 4.27Å; V277-L368 HydrophobicContact CG1-CD2 3.83Å; V277-A371 HydrophobicContact CG1-CB 3.71Å; V277-L372 HydrophobicContact CG2-CD2 4.48Å; V277-I383 HydrophobicContact CG2-CG2 4.49Å; V277-V384 PolarHBondContact N-O 3.4Å; V277-N385 HydrophobicContact CB-CB 3.84Å; V277-N385 CarbonylContact O-C 3.5Å; V277-N385 WeakPolarHBondContact O-CA 3.43Å; V277-N385 WeakPolarHBondContact O-CB 3.32Å; V277-V386 PolarHBondContact O-N 2.69Å
278	G	98.9	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	-175.7	0	0	0	0	0	114.2	G280 G305 L328 V386	G278-G280 PolarHBondContact O-N 3.48Å; G278-G305 WeakPolarHBondContact CA-O 3.32Å; G278-L328 PolarHBondContact N-O 3.22Å; G278-V386 WeakPolarHBondContact CA-O 3.1Å
279	K	98.9	Very high	97.4	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.013	14%	0.142	C	C	.	.			trans	-61.7	125.2	165.6	179.3	-173.9	170.4	-179.2	0	109.2	I281 D302 M303 G305 A306 E363 I367 L368 V386 A387 T388 L389	K279-I281 HydrophobicContact CD-CG1 4.49Å; K279-I281 VanDerWaalsContact CE-CG1 3.45Å; K279-I281 HydrophobicContact CG-CG1 4.18Å; K279-D302 VanDerWaalsContact CE-CG 3.44Å; K279-D302 WeakPolarHBondContact CE-OD1 3.47Å; K279-D302 WeakPolarHBondContact CE-OD2 3.47Å; K279-D302 IonicContact NZ-OD1 2.7Å; K279-D302 PolarHBondContact NZ-OD1 2.68Å; K279-D302 IonicContact NZ-OD2 3.15Å; K279-D302 PolarHBondContact NZ-OD2 3.17Å; K279-M303 CarbonylContact O-C 3.52Å; K279-M303 WeakPolarHBondContact O-CA 3.46Å; K279-G305 CarbonylContact O-C 3.16Å; K279-G305 WeakPolarHBondContact O-CA 3.33Å; K279-G305 PolarHBondContact O-N 3.25Å; K279-A306 PolarHBondContact O-N 3.45Å; K279-E363 WeakPolarHBondContact CE-OE1 3.48Å; K279-E363 IonicContact NZ-OE1 2.72Å; K279-E363 PolarHBondContact NZ-OE1 2.92Å; K279-I367 HydrophobicContact CG-CD1 4.07Å; K279-L368 HydrophobicContact CB-CD1 4.34Å; K279-V386 PolarHBondContact N-O 3.42Å; K279-A387 HydrophobicContact CB-CB 3.48Å; K279-A387 VanDerWaalsContact CB-CB 3.48Å; K279-A387 HydrophobicContact CD-CB 4.04Å; K279-A387 HydrophobicContact CG-CB 4.35Å; K279-T388 PolarHBondContact NZ-O 3.03Å; K279-L389 HydrophobicContact CD-CD1 4.45Å
280	G	98.9	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	36.7	-173.8	0	0	0	0	0	114.9	G278 T282 P330 L331 C332	G278-G280 PolarHBondContact O-N 3.48Å; G280-T282 PolarHBondContact O-N 3.16Å; G280-T282 VanDerWaalsContact O-N 3.1Å; G280-P330 VanDerWaalsContact CA-O 3.22Å; G280-P330 WeakPolarHBondContact CA-O 3.27Å; G280-P330 PolarHBondContact N-O 3.14Å; G280-L331 VanDerWaalsContact O-CA 3.3Å; G280-L331 WeakPolarHBondContact O-CA 3.3Å; G280-C332 PolarHBondContact O-N 3.11Å
281	I	98.9	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.8	177.8	-60.1	-64.4	0	0	0	109.6	V248 K279 F283 D284 D302 M303 C332 N334 E363 I367	V248-I281 HydrophobicContact CG1-CD1 4Å; K279-I281 HydrophobicContact CD-CG1 4.49Å; K279-I281 VanDerWaalsContact CE-CG1 3.45Å; K279-I281 HydrophobicContact CG-CG1 4.18Å; I281-F283 VanDerWaalsContact C-N 3.31Å; I281-F283 VanDerWaalsContact CG2-C 3.48Å; I281-F283 VanDerWaalsContact CG2-O 3.23Å; I281-F283 WeakPolarHBondContact CG2-O 3.32Å; I281-F283 PolarHBondContact O-N 2.88Å; I281-D284 HydrophobicContact CG2-CB 3.67Å; I281-D302 HydrophobicContact CB-CB 4.35Å; I281-D302 WeakPolarHBondContact CB-OD2 3.22Å; I281-D302 CarbonylContact O-C 3.48Å; I281-M303 WeakPolarHBondContact O-CB 3.3Å; I281-M303 PolarHBondContact O-N 3.08Å; I281-C332 CarbonylContact C-O 3.59Å; I281-C332 VanDerWaalsContact CA-O 3.27Å; I281-C332 WeakPolarHBondContact CA-O 3.28Å; I281-C332 VanDerWaalsContact CD1-SG 3.55Å; I281-N334 HydrophobicContact CG2-CB 4.28Å; I281-E363 HydrophobicContact CD1-CG 3.92Å; I281-E363 HydrophobicContact CG1-CG 3.95Å; I281-I367 HydrophobicContact CD1-CD1 3.77Å; I281-I367 HydrophobicContact CD1-CG2 4.19Å; I281-I367 HydrophobicContact CG1-CD1 3.99Å
282	T	98.9	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-23.7	-173.7	51.1	0	0	0	0	113.3	A204 I207 P209 G280 M303 L331 C332 E333	A204-T282 WeakPolarHBondContact CB-O 3.42Å; I207-T282 WeakPolarHBondContact O-CB 3.47Å; I207-T282 WeakPolarHBondContact O-CG2 3.46Å; P209-T282 WeakPolarHBondContact CD-OG1 3.38Å; P209-T282 HydrophobicContact CG-CG2 4.2Å; G280-T282 PolarHBondContact O-N 3.16Å; G280-T282 VanDerWaalsContact O-N 3.1Å; T282-M303 HydrophobicContact CG2-CB 4.32Å; T282-M303 HydrophobicContact CG2-CG 4.31Å; T282-L331 HydrophobicContact CG2-CD2 4.38Å; T282-C332 PolarHBondContact N-O 2.93Å; T282-C332 PolarHBondContact OG1-O 3.42Å; T282-E333 WeakPolarHBondContact OG1-CG 3.37Å
283	F	98.9	Very high	98.6	Very high	43 Å²	43	25.8 Å²	25.8	19%	0.189	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	132.6	160.5	-170.3	-107.3	0	0	0	110.2	A204 I281 M296 M299 E333 N334 M335	A204-F283 HydrophobicContact CB-CB 3.72Å; A204-F283 HydrophobicContact CB-CD2 4.12Å; A204-F283 HydrophobicContact CB-CG 4.26Å; I281-F283 VanDerWaalsContact C-N 3.31Å; I281-F283 VanDerWaalsContact CG2-C 3.48Å; I281-F283 VanDerWaalsContact CG2-O 3.23Å; I281-F283 WeakPolarHBondContact CG2-O 3.32Å; I281-F283 PolarHBondContact O-N 2.88Å; F283-M296 HydrophobicContact CE1-SD 4.48Å; F283-M296 HydrophobicContact CZ-CG 3.97Å; F283-M296 HydrophobicContact CZ-SD 4.16Å; F283-M299 HydrophobicContact CD2-CB 4.45Å; F283-M299 HydrophobicContact CE2-CB 4.22Å; F283-E333 HydrophobicContact CB-CG 4.38Å; F283-N334 PolarHBondContact O-N 3.42Å; F283-M335 HydrophobicContact CD1-SD 3.85Å; F283-M335 HydrophobicContact CE1-SD 4.35Å
284	D	98.8	Very high	98.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.1	176.7	-171.7	16.4	0	0	0	112	I281 G286 K291 M299 D302 N334	I281-D284 HydrophobicContact CG2-CB 3.67Å; D284-G286 WeakPolarHBondContact OD1-CA 3.21Å; D284-G286 PolarHBondContact OD1-N 2.8Å; D284-K291 WeakPolarHBondContact O-CE 3.38Å; D284-K291 IonicContact OD1-NZ 2.64Å; D284-K291 WeakPolarHBondContact OD2-CE 3.45Å; D284-K291 IonicContact OD2-NZ 3.5Å; D284-K291 PolarHBondContact OD2-NZ 3.28Å; D284-M299 HydrophobicContact CB-CB 4.14Å; D284-M299 WeakPolarHBondContact O-CB 3.47Å; D284-M299 VanDerWaalsContact O-CG 3.3Å; D284-M299 WeakPolarHBondContact O-CG 3.29Å; D284-D302 HydrophobicContact CB-CB 4.12Å; D284-D302 VanDerWaalsContact CB-OD2 3.31Å; D284-D302 WeakPolarHBondContact CB-OD2 3.29Å; D284-N334 WeakPolarHBondContact OD1-CB 3.28Å; D284-N334 PolarHBondContact OD1-ND2 3.26Å
285	S	98.8	Very high	98.3	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	21%	0.212	C	C	.	.			trans	-89.7	-9	170.5	67.5	0	0	0	0	113.4	G287 K291 N334 M335 P336	S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact OG-N 3.38Å; S285-K291 PolarHBondContact O-N 3.25Å; S285-N334 WeakPolarHBondContact CB-O 3.41Å; S285-N334 PolarHBondContact N-O 3.08Å; S285-N334 VanDerWaalsContact N-O 3.08Å; S285-N334 PolarHBondContact OG-O 3.48Å; S285-M335 WeakPolarHBondContact OG-CA 3.24Å; S285-P336 WeakPolarHBondContact OG-CD 3.46Å
286	G	98.6	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.			trans	82.9	-3.6	-166.5	0	0	0	0	0	114.8	D284 I288 S289 N334 T360 D361	D284-G286 WeakPolarHBondContact OD1-CA 3.21Å; D284-G286 PolarHBondContact OD1-N 2.8Å; G286-I288 PolarHBondContact O-N 3.12Å; G286-S289 CarbonylContact O-C 3.55Å; G286-S289 PolarHBondContact O-N 3.2Å; G286-N334 WeakPolarHBondContact CA-ND2 3.35Å; G286-T360 CarbonylContact O-C 3.59Å; G286-T360 WeakPolarHBondContact O-CB 3.29Å; G286-T360 PolarHBondContact O-OG1 2.62Å; G286-D361 WeakPolarHBondContact CA-OD1 3.46Å; G286-D361 PolarHBondContact O-N 2.66Å
287	G	98.7	Very high	98.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-129.9	-180	0	0	0	0	0	112.1	S285 P336	S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact OG-N 3.38Å; G287-P336 WeakPolarHBondContact O-CB 3.49Å
288	I	98.8	Very high	98.2	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.395	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-33.9	176.3	-62.8	-59.6	0	0	0	111.3	G286 L290 P336 A340 T341 P343 T360	G286-I288 PolarHBondContact O-N 3.12Å; I288-L290 PolarHBondContact O-N 3.35Å; I288-P336 HydrophobicContact CD1-CB 4.18Å; I288-A340 HydrophobicContact CD1-CB 4.25Å; I288-A340 HydrophobicContact CG1-CB 4.1Å; I288-T341 WeakPolarHBondContact CG1-O 3.15Å; I288-P343 HydrophobicContact CG2-CG 4.45Å; I288-T360 PolarHBondContact N-OG1 3.06Å
289	S	98.3	Very high	98.2	Very high	32 Å²	32	46.3 Å²	46.3	22%	0.224	26%	0.263	C	S	.	.	S	Bend	trans	-76.2	51.4	167.1	-57.1	0	0	0	0	111.8	G286 K291 N359 T360	G286-S289 CarbonylContact O-C 3.55Å; G286-S289 PolarHBondContact O-N 3.2Å; S289-K291 PolarHBondContact O-N 3.13Å; S289-N359 WeakPolarHBondContact CB-OD1 3.15Å; S289-N359 PolarHBondContact OG-OD1 3.24Å; S289-N359 VanDerWaalsContact OG-OD1 3.12Å; S289-T360 WeakPolarHBondContact CB-OG1 3.33Å; S289-T360 PolarHBondContact N-OG1 2.94Å; S289-T360 PolarHBondContact OG-N 2.78Å; S289-T360 PolarHBondContact OG-OG1 2.81Å
290	L	98.6	Very high	98.2	Very high	105 Å²	105	48.3 Å²	48.3	55%	0.55	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-52.4	128.9	-168.3	-171.3	74.3	0	0	0	113.9	I288 M296 P336	I288-L290 PolarHBondContact O-N 3.35Å; L290-M296 HydrophobicContact CD1-CE 4.43Å; L290-P336 HydrophobicContact CD1-CG 4.18Å
291	K	98.3	Very high	98.2	Very high	33 Å²	33	48.3 Å²	48.3	14%	0.143	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64	152.7	174.1	-61.2	-179.8	-158.2	-69.6	0	111.9	D284 S285 S289 M296 M299 D361	D284-K291 WeakPolarHBondContact O-CE 3.38Å; D284-K291 IonicContact OD1-NZ 2.64Å; D284-K291 WeakPolarHBondContact OD2-CE 3.45Å; D284-K291 IonicContact OD2-NZ 3.5Å; D284-K291 PolarHBondContact OD2-NZ 3.28Å; S285-K291 PolarHBondContact O-N 3.25Å; S289-K291 PolarHBondContact O-N 3.13Å; K291-M296 HydrophobicContact CB-CE 3.93Å; K291-M296 WeakPolarHBondContact O-CE 3.45Å; K291-M299 HydrophobicContact CD-CG 3.89Å; K291-M299 HydrophobicContact CD-SD 3.9Å; K291-M299 VanDerWaalsContact CE-SD 3.56Å; K291-D361 VanDerWaalsContact CE-OD1 3.24Å; K291-D361 WeakPolarHBondContact CE-OD1 3.38Å; K291-D361 WeakPolarHBondContact CG-OD1 3.37Å; K291-D361 VanDerWaalsContact NZ-CG 3.31Å; K291-D361 IonicContact NZ-OD1 2.97Å; K291-D361 PolarHBondContact NZ-OD1 3.47Å; K291-D361 IonicContact NZ-OD2 2.77Å; K291-D361 PolarHBondContact NZ-OD2 2.87Å
292	P	97.8	Very high	98.2	Very high	107 Å²	107	48.6 Å²	48.6	70%	0.695	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-58.4	147.3	166.2	-21.5	33.4	0	0	0	112	Q294	P292-Q294 PolarHBondContact O-N 3Å; P292-Q294 VanDerWaalsContact O-N 3.16Å
293	S	97.4	Very high	98.2	Very high	113 Å²	113	48.6 Å²	48.6	79%	0.79	27%	0.272	S	S	*	.	S	Bend	trans	-65.6	-18.2	-179	-43.1	0	0	0	0	114.4	S295	S293-S295 PolarHBondContact O-N 2.82Å
294	Q	96.9	Very high	98.2	Very high	174 Å²	174	46.6 Å²	46.6	81%	0.813	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	119.9	-179.8	-175.7	175.5	7.9	0	0	110.6	P292 M296	P292-Q294 PolarHBondContact O-N 3Å; P292-Q294 VanDerWaalsContact O-N 3.16Å; Q294-M296 PolarHBondContact O-N 3.16Å; Q294-M296 VanDerWaalsContact O-N 3.11Å
295	S	93.9	Very high	98.2	Very high	81 Å²	81	46.4 Å²	46.4	57%	0.566	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	14.9	179.8	-62.4	0	0	0	0	115.9	S293 D297 A298	S293-S295 PolarHBondContact O-N 2.82Å; S295-D297 PolarHBondContact O-N 2.61Å; S295-D297 VanDerWaalsContact O-N 3.15Å; S295-A298 WeakPolarHBondContact O-CB 3.25Å; S295-A298 PolarHBondContact O-N 2.92Å
296	M	98.4	Very high	98.2	Very high	38 Å²	38	46.2 Å²	46.2	19%	0.187	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23.8	171.9	-170.7	-166.8	-82.7	0	0	112	F283 L290 K291 Q294 A298 M299	F283-M296 HydrophobicContact CE1-SD 4.48Å; F283-M296 HydrophobicContact CZ-CG 3.97Å; F283-M296 HydrophobicContact CZ-SD 4.16Å; L290-M296 HydrophobicContact CD1-CE 4.43Å; K291-M296 HydrophobicContact CB-CE 3.93Å; K291-M296 WeakPolarHBondContact O-CE 3.45Å; Q294-M296 PolarHBondContact O-N 3.16Å; Q294-M296 VanDerWaalsContact O-N 3.11Å; M296-A298 PolarHBondContact O-N 3.38Å; M296-M299 VanDerWaalsContact O-CB 3.29Å; M296-M299 WeakPolarHBondContact O-CB 3.24Å; M296-M299 WeakPolarHBondContact O-CG 3.45Å; M296-M299 PolarHBondContact O-N 2.67Å
297	D	98.3	Very high	98.2	Very high	101 Å²	101	46.2 Å²	46.2	54%	0.54	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.5	174.4	76.9	-79.5	0	0	0	112.9	S295 M299 R300	S295-D297 PolarHBondContact O-N 2.61Å; S295-D297 VanDerWaalsContact O-N 3.15Å; D297-M299 PolarHBondContact O-N 3Å; D297-R300 VanDerWaalsContact C-NH1 3.26Å; D297-R300 WeakPolarHBondContact O-CG 3.34Å; D297-R300 PolarHBondContact O-N 2.85Å; D297-R300 PolarHBondContact O-NH1 2.93Å; D297-R300 IonicContact OD2-CZ 3.79Å; D297-R300 IonicContact OD2-NH1 2.84Å; D297-R300 PolarHBondContact OD2-NH1 2.97Å
298	A	97.9	Very high	98.3	Very high	20 Å²	20	46.1 Å²	46.1	17%	0.165	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-67.2	-19.4	179.7	0	0	0	0	0	112.8	S295 M296 R300 A301 M484 M497	S295-A298 WeakPolarHBondContact O-CB 3.25Å; S295-A298 PolarHBondContact O-N 2.92Å; M296-A298 PolarHBondContact O-N 3.38Å; A298-R300 PolarHBondContact O-N 3.02Å; A298-R300 VanDerWaalsContact O-N 3.11Å; A298-A301 WeakPolarHBondContact O-CB 3.41Å; A298-A301 PolarHBondContact O-N 3.49Å; A298-M484 HydrophobicContact CB-CE 4.09Å; A298-M497 HydrophobicContact CB-CE 4.19Å
299	M	98.7	Very high	98.3	Very high	37 Å²	37	42.5 Å²	42.5	18%	0.182	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.3	-2.8	179.5	-55.2	-66.7	88.8	0	0	113.7	F283 D284 K291 M296 D297 A301 D302 M484	F283-M299 HydrophobicContact CD2-CB 4.45Å; F283-M299 HydrophobicContact CE2-CB 4.22Å; D284-M299 HydrophobicContact CB-CB 4.14Å; D284-M299 WeakPolarHBondContact O-CB 3.47Å; D284-M299 VanDerWaalsContact O-CG 3.3Å; D284-M299 WeakPolarHBondContact O-CG 3.29Å; K291-M299 HydrophobicContact CD-CG 3.89Å; K291-M299 HydrophobicContact CD-SD 3.9Å; K291-M299 VanDerWaalsContact CE-SD 3.56Å; M296-M299 VanDerWaalsContact O-CB 3.29Å; M296-M299 WeakPolarHBondContact O-CB 3.24Å; M296-M299 WeakPolarHBondContact O-CG 3.45Å; M296-M299 PolarHBondContact O-N 2.67Å; D297-M299 PolarHBondContact O-N 3Å; M299-A301 PolarHBondContact O-N 2.99Å; M299-D302 WeakPolarHBondContact O-CB 3.45Å; M299-D302 PolarHBondContact O-N 3.04Å; M299-M484 HydrophobicContact CE-CE 4.12Å
300	R	98.8	Very high	98.3	Very high	44 Å²	44	41 Å²	41	17%	0.166	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.4	-24.2	160.8	71	-176.2	177.6	-86.1	4.2	113.3	E201 A204 D297 A298 M303 M497	E201-R300 PolarHBondContact O-NE 3.1Å; E201-R300 IonicContact OE1-CZ 3.76Å; E201-R300 IonicContact OE1-NE 3.15Å; E201-R300 IonicContact OE1-NH2 2.74Å; E201-R300 PolarHBondContact OE1-NH2 3.48Å; A204-R300 HydrophobicContact CB-CB 4.46Å; D297-R300 VanDerWaalsContact C-NH1 3.26Å; D297-R300 WeakPolarHBondContact O-CG 3.34Å; D297-R300 PolarHBondContact O-N 2.85Å; D297-R300 PolarHBondContact O-NH1 2.93Å; D297-R300 IonicContact OD2-CZ 3.79Å; D297-R300 IonicContact OD2-NH1 2.84Å; D297-R300 PolarHBondContact OD2-NH1 2.97Å; A298-R300 PolarHBondContact O-N 3.02Å; A298-R300 VanDerWaalsContact O-N 3.11Å; R300-M303 WeakPolarHBondContact O-CG 3.38Å; R300-M303 VanDerWaalsContact O-SD 3.41Å; R300-M497 HydrophobicContact CG-CE 4.48Å
301	A	98.8	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-93.8	8.4	-180	0	0	0	0	0	113.6	M200 A298 M299 M303 G304 M484 M497	M200-A301 HydrophobicContact CB-CB 3.87Å; M200-A301 HydrophobicContact CE-CB 4.06Å; M200-A301 HydrophobicContact CG-CB 4.34Å; A298-A301 WeakPolarHBondContact O-CB 3.41Å; A298-A301 PolarHBondContact O-N 3.49Å; M299-A301 PolarHBondContact O-N 2.99Å; A301-M303 PolarHBondContact O-N 3.3Å; A301-M303 VanDerWaalsContact O-N 3.16Å; A301-G304 WeakPolarHBondContact O-CA 3.32Å; A301-G304 PolarHBondContact O-N 3.31Å; A301-M484 HydrophobicContact CB-CG 3.91Å; A301-M484 HydrophobicContact CB-SD 3.78Å; A301-M497 HydrophobicContact CB-CE 3.6Å; A301-M497 HydrophobicContact CB-CG 3.99Å; A301-M497 HydrophobicContact CB-SD 3.57Å; A301-M497 VanDerWaalsContact CB-SD 3.57Å
302	D	98.9	Very high	98.3	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.8	-178.2	-165	42.6	0	0	0	114	K279 I281 D284 M299 G304 T388	K279-D302 VanDerWaalsContact CE-CG 3.44Å; K279-D302 WeakPolarHBondContact CE-OD1 3.47Å; K279-D302 WeakPolarHBondContact CE-OD2 3.47Å; K279-D302 IonicContact NZ-OD1 2.7Å; K279-D302 PolarHBondContact NZ-OD1 2.68Å; K279-D302 IonicContact NZ-OD2 3.15Å; K279-D302 PolarHBondContact NZ-OD2 3.17Å; I281-D302 HydrophobicContact CB-CB 4.35Å; I281-D302 WeakPolarHBondContact CB-OD2 3.22Å; I281-D302 CarbonylContact O-C 3.48Å; D284-D302 HydrophobicContact CB-CB 4.12Å; D284-D302 VanDerWaalsContact CB-OD2 3.31Å; D284-D302 WeakPolarHBondContact CB-OD2 3.29Å; M299-D302 WeakPolarHBondContact O-CB 3.45Å; M299-D302 PolarHBondContact O-N 3.04Å; D302-G304 VanDerWaalsContact C-N 3.32Å; D302-T388 WeakPolarHBondContact CA-OG1 3.29Å; D302-T388 PolarHBondContact O-OG1 3.05Å; D302-T388 VanDerWaalsContact O-OG1 3.06Å; D302-T388 VanDerWaalsContact OD1-CB 3.28Å; D302-T388 WeakPolarHBondContact OD1-CB 3.45Å; D302-T388 VanDerWaalsContact OD1-O 3.05Å; D302-T388 PolarHBondContact OD1-OG1 3.48Å
303	M	98.9	Very high	98.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.4	165.2	43.5	55.5	79.3	0	0	112.1	L199 M200 I207 F212 K279 I281 T282 R300 A301 G305 A306 A307	L199-M303 VanDerWaalsContact C-CE 3.43Å; L199-M303 HydrophobicContact CB-CE 3.63Å; L199-M303 VanDerWaalsContact O-CE 3.27Å; L199-M303 WeakPolarHBondContact O-CE 3.49Å; M200-M303 HydrophobicContact CB-SD 4.3Å; M200-M303 HydrophobicContact CG-CE 4.21Å; M200-M303 HydrophobicContact CG-SD 3.83Å; I207-M303 HydrophobicContact CG2-CE 4.48Å; F212-M303 HydrophobicContact CD2-CE 3.7Å; F212-M303 HydrophobicContact CE2-CE 3.59Å; K279-M303 CarbonylContact O-C 3.52Å; K279-M303 WeakPolarHBondContact O-CA 3.46Å; I281-M303 WeakPolarHBondContact O-CB 3.3Å; I281-M303 PolarHBondContact O-N 3.08Å; T282-M303 HydrophobicContact CG2-CB 4.32Å; T282-M303 HydrophobicContact CG2-CG 4.31Å; R300-M303 WeakPolarHBondContact O-CG 3.38Å; R300-M303 VanDerWaalsContact O-SD 3.41Å; A301-M303 PolarHBondContact O-N 3.3Å; A301-M303 VanDerWaalsContact O-N 3.16Å; M303-G305 PolarHBondContact O-N 2.81Å; M303-G305 VanDerWaalsContact O-N 3.17Å; M303-A306 WeakPolarHBondContact O-CB 3.3Å; M303-A306 PolarHBondContact O-N 3.15Å; M303-A307 HydrophobicContact CE-CB 3.74Å; M303-A307 PolarHBondContact O-N 3.02Å
304	G	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-27.2	-177.9	0	0	0	0	0	113.9	A301 D302 A307 T308	A301-G304 WeakPolarHBondContact O-CA 3.32Å; A301-G304 PolarHBondContact O-N 3.31Å; D302-G304 VanDerWaalsContact C-N 3.32Å; G304-A307 PolarHBondContact O-N 2.91Å; G304-T308 WeakPolarHBondContact O-CB 3.49Å; G304-T308 VanDerWaalsContact O-CG2 3.28Å; G304-T308 WeakPolarHBondContact O-CG2 3.46Å; G304-T308 PolarHBondContact O-N 2.79Å; G304-T308 PolarHBondContact O-OG1 3.14Å
305	G	98.9	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-51.8	170.5	0	0	0	0	0	112.1	G278 K279 M303 T308 V309 V386	G278-G305 WeakPolarHBondContact CA-O 3.32Å; K279-G305 CarbonylContact O-C 3.16Å; K279-G305 WeakPolarHBondContact O-CA 3.33Å; K279-G305 PolarHBondContact O-N 3.25Å; M303-G305 PolarHBondContact O-N 2.81Å; M303-G305 VanDerWaalsContact O-N 3.17Å; G305-T308 PolarHBondContact O-OG1 3.32Å; G305-T308 VanDerWaalsContact O-OG1 3.13Å; G305-V309 WeakPolarHBondContact O-CB 3.22Å; G305-V309 WeakPolarHBondContact O-CG2 3.43Å; G305-V309 PolarHBondContact O-N 3.37Å; G305-V309 VanDerWaalsContact O-N 3.15Å; G305-V386 WeakPolarHBondContact CA-O 3.49Å
306	A	99	Very high	98.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63	-42.5	174.1	0	0	0	0	0	111.7	F212 K279 M303 T308 V309 C310 A329 L331	F212-A306 HydrophobicContact CE1-CB 4.09Å; F212-A306 HydrophobicContact CE2-CB 4.37Å; F212-A306 HydrophobicContact CZ-CB 3.74Å; K279-A306 PolarHBondContact O-N 3.45Å; M303-A306 WeakPolarHBondContact O-CB 3.3Å; M303-A306 PolarHBondContact O-N 3.15Å; A306-T308 PolarHBondContact O-N 3.01Å; A306-V309 PolarHBondContact O-N 3.28Å; A306-C310 VanDerWaalsContact O-CB 3.29Å; A306-C310 WeakPolarHBondContact O-CB 3.3Å; A306-C310 PolarHBondContact O-N 3.19Å; A306-C310 PolarHBondContact O-SG 3.07Å; A306-A329 HydrophobicContact CB-CB 3.65Å; A306-L331 HydrophobicContact CB-CD2 4.12Å
307	A	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-49.7	-179.7	0	0	0	0	0	112.1	A196 L199 M200 F212 M303 G304 A311	A196-A307 HydrophobicContact CB-CB 4.25Å; L199-A307 HydrophobicContact CB-CB 4.21Å; M200-A307 HydrophobicContact CG-CB 3.83Å; M200-A307 HydrophobicContact SD-CB 4.28Å; F212-A307 HydrophobicContact CE2-CB 4.2Å; M303-A307 HydrophobicContact CE-CB 3.74Å; M303-A307 PolarHBondContact O-N 3.02Å; G304-A307 PolarHBondContact O-N 2.91Å; A307-A311 WeakPolarHBondContact O-CB 3.41Å; A307-A311 PolarHBondContact O-N 3.15Å
308	T	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.7	-41.9	-179.3	53.2	0	0	0	0	112.2	A196 G304 G305 A306 S312 I480 R500 T502	A196-T308 HydrophobicContact CB-CG2 4.28Å; G304-T308 WeakPolarHBondContact O-CB 3.49Å; G304-T308 VanDerWaalsContact O-CG2 3.28Å; G304-T308 WeakPolarHBondContact O-CG2 3.46Å; G304-T308 PolarHBondContact O-N 2.79Å; G304-T308 PolarHBondContact O-OG1 3.14Å; G305-T308 PolarHBondContact O-OG1 3.32Å; G305-T308 VanDerWaalsContact O-OG1 3.13Å; A306-T308 PolarHBondContact O-N 3.01Å; T308-S312 WeakPolarHBondContact O-CB 3.49Å; T308-S312 PolarHBondContact O-N 2.89Å; T308-S312 PolarHBondContact O-OG 3.31Å; T308-I480 HydrophobicContact CG2-CD1 4.41Å; T308-R500 WeakPolarHBondContact CG2-O 3.19Å; T308-T502 WeakPolarHBondContact CA-OG1 3.31Å; T308-T502 WeakPolarHBondContact CG2-OG1 3.26Å
309	V	98.9	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-53.8	174.9	163.3	0	0	0	0	111.7	L276 G305 A306 A311 S312 I313 V386	L276-V309 HydrophobicContact CB-CB 4.43Å; L276-V309 HydrophobicContact CB-CG1 3.56Å; L276-V309 HydrophobicContact CB-CG2 4.15Å; G305-V309 WeakPolarHBondContact O-CB 3.22Å; G305-V309 WeakPolarHBondContact O-CG2 3.43Å; G305-V309 PolarHBondContact O-N 3.37Å; G305-V309 VanDerWaalsContact O-N 3.15Å; A306-V309 PolarHBondContact O-N 3.28Å; V309-A311 PolarHBondContact O-N 2.78Å; V309-S312 WeakPolarHBondContact O-CB 3.46Å; V309-S312 PolarHBondContact O-N 3.13Å; V309-I313 HydrophobicContact CG1-CD1 4.22Å; V309-I313 PolarHBondContact O-N 3.41Å; V309-I313 VanDerWaalsContact O-N 3.17Å; V309-V386 HydrophobicContact CG2-CB 4.07Å; V309-V386 HydrophobicContact CG2-CG2 3.72Å
310	C	98.9	Very high	98.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-39.3	-174.7	-61.7	0	0	0	0	111.7	F212 I216 L261 A306 S312 I313 V314	F212-C310 HydrophobicContact CE1-CB 4.47Å; F212-C310 HydrophobicContact CZ-CB 4.27Å; I216-C310 HydrophobicContact CD1-CB 3.52Å; I216-C310 HydrophobicContact CG1-CB 3.74Å; I216-C310 HydrophobicContact CG2-CB 3.99Å; L261-C310 HydrophobicContact CD1-CB 4.15Å; A306-C310 VanDerWaalsContact O-CB 3.29Å; A306-C310 WeakPolarHBondContact O-CB 3.3Å; A306-C310 PolarHBondContact O-N 3.19Å; A306-C310 PolarHBondContact O-SG 3.07Å; C310-S312 VanDerWaalsContact C-N 3.33Å; C310-S312 PolarHBondContact O-N 2.82Å; C310-I313 PolarHBondContact O-N 3.16Å; C310-V314 WeakPolarHBondContact O-CG2 3.48Å; C310-V314 PolarHBondContact O-N 2.91Å
311	A	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.6	-29.6	176.6	0	0	0	0	0	113.2	G192 L195 A196 A307 V309 I313 V314 A315 T502	G192-A311 VanDerWaalsContact O-CB 3.27Å; G192-A311 WeakPolarHBondContact O-CB 3.43Å; L195-A311 HydrophobicContact CB-CB 4.08Å; L195-A311 HydrophobicContact CD2-CB 3.98Å; L195-A311 HydrophobicContact CG-CB 4.01Å; A196-A311 HydrophobicContact CB-CB 4.07Å; A307-A311 WeakPolarHBondContact O-CB 3.41Å; A307-A311 PolarHBondContact O-N 3.15Å; V309-A311 PolarHBondContact O-N 2.78Å; A311-I313 VanDerWaalsContact C-N 3.33Å; A311-V314 PolarHBondContact O-N 2.73Å; A311-A315 PolarHBondContact O-N 2.8Å; A311-T502 HydrophobicContact CB-CG2 4.25Å
312	S	98.9	Very high	98.6	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-39	169.9	-57.8	0	0	0	0	111.5	T308 V309 C310 A315 A316 T502 L505	T308-S312 WeakPolarHBondContact O-CB 3.49Å; T308-S312 PolarHBondContact O-N 2.89Å; T308-S312 PolarHBondContact O-OG 3.31Å; V309-S312 WeakPolarHBondContact O-CB 3.46Å; V309-S312 PolarHBondContact O-N 3.13Å; C310-S312 VanDerWaalsContact C-N 3.33Å; C310-S312 PolarHBondContact O-N 2.82Å; S312-A315 PolarHBondContact O-N 3.11Å; S312-A316 VanDerWaalsContact O-CB 3.32Å; S312-A316 WeakPolarHBondContact O-CB 3.35Å; S312-A316 PolarHBondContact O-N 2.92Å; S312-T502 PolarHBondContact OG-O 3.47Å; S312-L505 WeakPolarHBondContact OG-CB 3.43Å
313	I	98.9	Very high	98.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-69.8	-40.2	177.4	-66.9	167.4	0	0	0	111.3	L220 L261 L276 V309 C310 A311 A315 A316 A317 I325 G327	L220-I313 HydrophobicContact CD2-CG2 4.44Å; L261-I313 HydrophobicContact CB-CD1 4.47Å; L261-I313 HydrophobicContact CD1-CD1 4.07Å; L261-I313 HydrophobicContact CD1-CG2 4.44Å; L276-I313 HydrophobicContact CD1-CD1 4.35Å; L276-I313 HydrophobicContact CD1-CG1 4.15Å; V309-I313 HydrophobicContact CG1-CD1 4.22Å; V309-I313 PolarHBondContact O-N 3.41Å; V309-I313 VanDerWaalsContact O-N 3.17Å; C310-I313 PolarHBondContact O-N 3.16Å; A311-I313 VanDerWaalsContact C-N 3.33Å; I313-A315 VanDerWaalsContact C-N 3.34Å; I313-A315 PolarHBondContact O-N 2.84Å; I313-A316 PolarHBondContact O-N 3.19Å; I313-A317 WeakPolarHBondContact O-CB 3.11Å; I313-A317 PolarHBondContact O-N 3.26Å; I313-I325 HydrophobicContact CD1-CG2 4.07Å; I313-I325 HydrophobicContact CG1-CG2 3.95Å; I313-G327 VanDerWaalsContact CD1-CA 3.45Å
314	V	98.9	Very high	98.4	Very high	19 Å²	19	15.9 Å²	15.9	12%	0.115	9%	0.09	C	C	.	.	H	α-helix	trans	-55.7	-49.2	171.1	170.8	0	0	0	0	110.9	L195 K219 L220 C310 A311 A317 A318	L195-V314 HydrophobicContact CD2-CB 4.16Å; L195-V314 HydrophobicContact CD2-CG1 4.08Å; L195-V314 HydrophobicContact CD2-CG2 3.96Å; K219-V314 HydrophobicContact CB-CG1 4.06Å; K219-V314 HydrophobicContact CB-CG2 3.88Å; L220-V314 HydrophobicContact CD2-CB 4.21Å; L220-V314 HydrophobicContact CD2-CG2 3.59Å; L220-V314 HydrophobicContact CG-CG2 3.83Å; C310-V314 WeakPolarHBondContact O-CG2 3.48Å; C310-V314 PolarHBondContact O-N 2.91Å; A311-V314 PolarHBondContact O-N 2.73Å; V314-A317 PolarHBondContact O-N 3.31Å; V314-A318 WeakPolarHBondContact O-CB 3.35Å; V314-A318 PolarHBondContact O-N 3.19Å
315	A	98.8	Very high	98.4	Very high	3 Å²	3	16 Å²	16	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-68.9	-34.6	179.7	0	0	0	0	0	113	V188 A311 S312 I313 A318 L319 L506	V188-A315 HydrophobicContact CG1-CB 4.01Å; A311-A315 PolarHBondContact O-N 2.8Å; S312-A315 PolarHBondContact O-N 3.11Å; I313-A315 VanDerWaalsContact C-N 3.34Å; I313-A315 PolarHBondContact O-N 2.84Å; A315-A318 PolarHBondContact O-N 2.85Å; A315-L319 WeakPolarHBondContact O-CB 3.42Å; A315-L319 VanDerWaalsContact O-CG 3.3Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.15Å; A315-L506 HydrophobicContact CB-CD1 3.94Å; A315-L506 HydrophobicContact CB-CD2 3.52Å; A315-L506 HydrophobicContact CB-CG 4.36Å
316	A	98.6	Very high	98.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-41.4	174.1	0	0	0	0	0	112.1	Y263 S312 I313 L319 K320 L321 I325 L506	Y263-A316 HydrophobicContact CE1-CB 4.49Å; Y263-A316 PolarHBondContact OH-O 2.8Å; S312-A316 VanDerWaalsContact O-CB 3.32Å; S312-A316 WeakPolarHBondContact O-CB 3.35Å; S312-A316 PolarHBondContact O-N 2.92Å; I313-A316 PolarHBondContact O-N 3.19Å; A316-L319 PolarHBondContact O-N 3.01Å; A316-K320 PolarHBondContact O-N 3.21Å; A316-L321 HydrophobicContact CB-CD1 3.81Å; A316-L321 HydrophobicContact CB-CG 4.32Å; A316-L321 PolarHBondContact O-N 3.11Å; A316-L321 VanDerWaalsContact O-N 3.15Å; A316-I325 HydrophobicContact CB-CD1 3.96Å; A316-L506 HydrophobicContact CB-CD1 3.93Å
317	A	98.5	Very high	98.4	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-65.1	-45.1	175.1	0	0	0	0	0	111.9	H223 V227 Y263 I313 V314 L319 K320	H223-A317 HydrophobicContact CB-CB 3.93Å; V227-A317 HydrophobicContact CG2-CB 3.95Å; Y263-A317 HydrophobicContact CD2-CB 3.96Å; Y263-A317 HydrophobicContact CE2-CB 3.78Å; I313-A317 WeakPolarHBondContact O-CB 3.11Å; I313-A317 PolarHBondContact O-N 3.26Å; V314-A317 PolarHBondContact O-N 3.31Å; A317-L319 VanDerWaalsContact C-N 3.33Å; A317-L319 PolarHBondContact O-N 3.02Å; A317-K320 WeakPolarHBondContact O-CG 3.3Å; A317-K320 PolarHBondContact O-N 3.18Å
318	A	98.4	Very high	98.4	Very high	40 Å²	40	16.4 Å²	16.4	33%	0.331	9%	0.093	S	C	.	.	H	α-helix	trans	-61.4	-37.4	175.9	0	0	0	0	0	113.2	V188 H223 V314 A315 K320	V188-A318 HydrophobicContact CG1-CB 3.92Å; H223-A318 WeakPolarHBondContact NE2-CA 3.45Å; V314-A318 WeakPolarHBondContact O-CB 3.35Å; V314-A318 PolarHBondContact O-N 3.19Å; A315-A318 PolarHBondContact O-N 2.85Å; A318-K320 VanDerWaalsContact C-N 3.29Å
319	L	97.9	Very high	98.4	Very high	45 Å²	45	16.4 Å²	16.4	24%	0.236	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.3	173.7	-68.5	173.2	0	0	0	114.1	K185 V188 Y189 A315 A316 A317 L321 L506	K185-L319 HydrophobicContact CG-CD2 4.29Å; V188-L319 HydrophobicContact CB-CD2 4.05Å; V188-L319 HydrophobicContact CB-CG 4.29Å; V188-L319 HydrophobicContact CG1-CD1 4.28Å; V188-L319 HydrophobicContact CG1-CD2 4.09Å; V188-L319 HydrophobicContact CG1-CG 3.78Å; V188-L319 HydrophobicContact CG2-CD2 4.37Å; Y189-L319 HydrophobicContact CD2-CD1 3.93Å; Y189-L319 HydrophobicContact CE2-CD1 3.48Å; Y189-L319 VanDerWaalsContact CE2-CD1 3.48Å; A315-L319 WeakPolarHBondContact O-CB 3.42Å; A315-L319 VanDerWaalsContact O-CG 3.3Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.15Å; A316-L319 PolarHBondContact O-N 3.01Å; A317-L319 VanDerWaalsContact C-N 3.33Å; A317-L319 PolarHBondContact O-N 3.02Å; L319-L321 VanDerWaalsContact C-N 3.27Å; L319-L321 HydrophobicContact CB-CD2 3.87Å; L319-L321 HydrophobicContact CB-CG 4.01Å; L319-L321 HydrophobicContact CD1-CD2 4.43Å; L319-L321 PolarHBondContact O-N 2.8Å; L319-L506 HydrophobicContact CD1-CD1 4.27Å; L319-L506 HydrophobicContact CD1-CD2 4.07Å; L319-L506 HydrophobicContact CD1-CG 4.37Å
320	K	97.6	Very high	98.4	Very high	117 Å²	117	16.4 Å²	16.4	51%	0.509	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	38.7	-178.2	-58.3	-177.4	-179.7	-177.2	0	113.5	Y263 A316 A317 A318	Y263-K320 VanDerWaalsContact OH-C 3.24Å; Y263-K320 VanDerWaalsContact OH-CA 3.29Å; Y263-K320 WeakPolarHBondContact OH-CA 3.27Å; A316-K320 PolarHBondContact O-N 3.21Å; A317-K320 WeakPolarHBondContact O-CG 3.3Å; A317-K320 PolarHBondContact O-N 3.18Å; A318-K320 VanDerWaalsContact C-N 3.29Å
321	L	97.4	Very high	98.4	Very high	18 Å²	18	16.3 Å²	16.3	9%	0.094	9%	0.093	C	C	.	.			trans	-57.3	133.3	-176	-61.7	-175.8	0	0	0	111.8	Y263 G265 A316 L319 V323 L506 A510	Y263-L321 WeakPolarHBondContact CE1-O 3.36Å; Y263-L321 PolarHBondContact OH-N 3.04Å; Y263-L321 PolarHBondContact OH-O 2.87Å; G265-L321 WeakPolarHBondContact CA-O 3.32Å; A316-L321 HydrophobicContact CB-CD1 3.81Å; A316-L321 HydrophobicContact CB-CG 4.32Å; A316-L321 PolarHBondContact O-N 3.11Å; A316-L321 VanDerWaalsContact O-N 3.15Å; L319-L321 VanDerWaalsContact C-N 3.27Å; L319-L321 HydrophobicContact CB-CD2 3.87Å; L319-L321 HydrophobicContact CB-CG 4.01Å; L319-L321 HydrophobicContact CD1-CD2 4.43Å; L319-L321 PolarHBondContact O-N 2.8Å; L321-V323 HydrophobicContact CB-CG1 4.13Å; L321-V323 PolarHBondContact O-N 2.85Å; L321-L506 HydrophobicContact CD1-CD1 3.94Å; L321-A510 HydrophobicContact CD1-CB 4.02Å; L321-A510 HydrophobicContact CD2-CB 4.09Å
322	P	96.4	Very high	98.4	Very high	69 Å²	69	16.3 Å²	16.3	45%	0.448	9%	0.093	S	C	.	.	S	Bend	trans	-80.5	58.5	-174.3	31.2	-32.6	0	0	0	113	G265 A513	G265-P322 WeakPolarHBondContact O-CA 3.31Å; P322-A513 HydrophobicContact CG-CB 3.95Å
323	V	96.8	Very high	98.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	-145.7	142	-179.1	61.1	0	0	0	0	110.9	Y263 G265 L321 I325 A513	Y263-V323 WeakPolarHBondContact CD1-O 3.5Å; Y263-V323 WeakPolarHBondContact CE1-O 3.16Å; G265-V323 WeakPolarHBondContact CA-O 3.48Å; G265-V323 PolarHBondContact N-O 2.97Å; L321-V323 HydrophobicContact CB-CG1 4.13Å; L321-V323 PolarHBondContact O-N 2.85Å; V323-I325 HydrophobicContact CG1-CD1 4.11Å; V323-I325 HydrophobicContact CG1-CG1 4.07Å; V323-A513 HydrophobicContact CB-CB 3.89Å; V323-A513 HydrophobicContact CG1-CB 4.12Å
324	N	98.2	Very high	98.4	Very high	12 Å²	12	17.9 Å²	17.9	6%	0.064	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.7	172.8	-64.6	-18.2	0	0	0	110.1	Y263 G265 S266 N268 Q271 P273 L274	Y263-N324 WeakPolarHBondContact O-CA 3.26Å; G265-N324 PolarHBondContact N-OD1 2.86Å; S266-N324 WeakPolarHBondContact CB-OD1 3.18Å; S266-N324 PolarHBondContact N-OD1 3.3Å; N268-N324 PolarHBondContact O-ND2 3.47Å; Q271-N324 PolarHBondContact O-ND2 3.01Å; P273-N324 CarbonylContact C-O 3.57Å; P273-N324 WeakPolarHBondContact CA-O 3.37Å; P273-N324 HydrophobicContact CB-CB 4.2Å; L274-N324 PolarHBondContact N-O 3.36Å
325	I	98.7	Very high	98.4	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.8	178.7	-49.2	175.4	0	0	0	109.5	Y263 L274 L276 I313 A316 V323 A509	Y263-I325 HydrophobicContact CD1-CB 4.39Å; Y263-I325 HydrophobicContact CD1-CD1 4.14Å; Y263-I325 HydrophobicContact CD1-CG1 4.14Å; Y263-I325 PolarHBondContact N-O 3.45Å; Y263-I325 PolarHBondContact O-N 3.42Å; L274-I325 HydrophobicContact CB-CG1 4.49Å; L274-I325 CarbonylContact O-C 3.37Å; L274-I325 VanDerWaalsContact O-CA 3.32Å; L274-I325 WeakPolarHBondContact O-CA 3.35Å; L274-I325 WeakPolarHBondContact O-CG2 3.33Å; L276-I325 HydrophobicContact CD1-CG2 3.91Å; L276-I325 HydrophobicContact CG-CG2 4Å; I313-I325 HydrophobicContact CD1-CG2 4.07Å; I313-I325 HydrophobicContact CG1-CG2 3.95Å; A316-I325 HydrophobicContact CB-CD1 3.96Å; V323-I325 HydrophobicContact CG1-CD1 4.11Å; V323-I325 HydrophobicContact CG1-CG1 4.07Å; I325-A509 HydrophobicContact CD1-CB 4.1Å
326	V	98.9	Very high	98.4	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.2	166	177.3	0	0	0	0	108.3	L261 P273 L274 L275 L276 L328 F378	L261-V326 CarbonylContact O-C 3.48Å; L261-V326 WeakPolarHBondContact O-CA 3.43Å; P273-V326 HydrophobicContact CB-CG2 3.89Å; P273-V326 HydrophobicContact CG-CG2 3.91Å; L274-V326 PolarHBondContact O-N 3.04Å; L275-V326 WeakPolarHBondContact CA-O 3.49Å; L275-V326 HydrophobicContact CD1-CB 3.81Å; L275-V326 HydrophobicContact CD1-CG1 3.69Å; L276-V326 PolarHBondContact N-O 2.98Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; V326-L328 HydrophobicContact CG1-CG 4.35Å; V326-F378 HydrophobicContact CG1-CD2 3.96Å; V326-F378 HydrophobicContact CG1-CE2 3.97Å; V326-F378 HydrophobicContact CG1-CG 4.31Å; V326-F378 HydrophobicContact CG1-CZ 4.33Å; V326-F378 HydrophobicContact CG2-CG 4.41Å
327	G	98.9	Very high	98.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	176.8	0	0	0	0	0	111.2	E260 L261 L276 I313	E260-G327 WeakPolarHBondContact CA-O 3.49Å; L261-G327 PolarHBondContact N-O 3.47Å; L261-G327 PolarHBondContact O-N 3.41Å; L276-G327 CarbonylContact O-C 3.21Å; L276-G327 WeakPolarHBondContact O-CA 3.43Å; I313-G327 VanDerWaalsContact CD1-CA 3.45Å
328	L	99	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.3	176.6	-52.5	179.2	0	0	0	110.3	F258 L259 E260 L275 L276 V277 G278 V326 Y374 F378	F258-L328 HydrophobicContact CE1-CB 4.39Å; F258-L328 HydrophobicContact CE1-CD2 4.01Å; F258-L328 HydrophobicContact CZ-CB 4.11Å; F258-L328 HydrophobicContact CZ-CD1 4.33Å; F258-L328 HydrophobicContact CZ-CD2 4.35Å; L259-L328 CarbonylContact O-C 3.6Å; L259-L328 WeakPolarHBondContact O-CA 3.44Å; E260-L328 HydrophobicContact CB-CD2 4.26Å; E260-L328 HydrophobicContact CG-CD2 3.95Å; L275-L328 HydrophobicContact CD1-CD1 3.83Å; L275-L328 HydrophobicContact CD1-CG 3.91Å; L276-L328 PolarHBondContact O-N 3.31Å; V277-L328 CarbonylContact C-O 3.49Å; V277-L328 WeakPolarHBondContact CA-O 3.15Å; V277-L328 HydrophobicContact CG1-CB 4.29Å; V277-L328 HydrophobicContact CG2-CB 4.29Å; V277-L328 HydrophobicContact CG2-CD1 4.27Å; G278-L328 PolarHBondContact N-O 3.22Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; V326-L328 HydrophobicContact CG1-CG 4.35Å; L328-Y374 HydrophobicContact CD1-CD1 4.09Å; L328-Y374 HydrophobicContact CD2-CD1 4.27Å; L328-Y374 HydrophobicContact CD2-CE1 4.21Å; L328-F378 HydrophobicContact CD1-CE2 4.28Å; L328-F378 HydrophobicContact CD2-CE2 4.01Å
329	A	98.9	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	100.9	172.6	0	0	0	0	0	110.8	L259 A306 L331	L259-A329 HydrophobicContact CB-CB 4.25Å; L259-A329 PolarHBondContact N-O 2.99Å; L259-A329 PolarHBondContact O-N 3.07Å; A306-A329 HydrophobicContact CB-CB 3.65Å; A329-L331 HydrophobicContact CB-CD1 4.32Å; A329-L331 HydrophobicContact CB-CG 4.27Å; A329-L331 PolarHBondContact O-N 3.02Å
330	P	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119.4	161.6	28.4	-35.6	0	0	0	109.4	F245 F258 G280 I367 A371	F245-P330 HydrophobicContact CD1-CB 3.97Å; F245-P330 HydrophobicContact CD2-CB 4Å; F245-P330 HydrophobicContact CE1-CB 3.72Å; F245-P330 HydrophobicContact CE2-CB 3.75Å; F245-P330 HydrophobicContact CG-CB 4.12Å; F245-P330 HydrophobicContact CZ-CB 3.61Å; F258-P330 HydrophobicContact CD2-CB 3.92Å; F258-P330 HydrophobicContact CE2-CB 4.16Å; G280-P330 VanDerWaalsContact CA-O 3.22Å; G280-P330 WeakPolarHBondContact CA-O 3.27Å; G280-P330 PolarHBondContact N-O 3.14Å; P330-I367 HydrophobicContact CB-CB 4.12Å; P330-I367 HydrophobicContact CB-CD1 4.17Å; P330-I367 HydrophobicContact CB-CG1 4.24Å; P330-I367 HydrophobicContact CG-CB 4.09Å; P330-I367 HydrophobicContact CG-CD1 3.84Å; P330-I367 HydrophobicContact CG-CG1 3.76Å; P330-I367 WeakPolarHBondContact O-CD1 3.45Å; P330-A371 HydrophobicContact CG-CB 3.88Å
331	L	99	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.9	-177.1	-61.4	143.7	0	0	0	110.8	P209 F212 A213 P256 V257 L259 G280 T282 A306 A329	P209-L331 HydrophobicContact CB-CB 3.7Å; P209-L331 HydrophobicContact CG-CB 4.41Å; F212-L331 HydrophobicContact CB-CD2 4.22Å; F212-L331 HydrophobicContact CD1-CD1 3.65Å; F212-L331 HydrophobicContact CD1-CD2 3.46Å; F212-L331 VanDerWaalsContact CD1-CD2 3.46Å; F212-L331 HydrophobicContact CD1-CG 4.23Å; F212-L331 HydrophobicContact CD2-CD2 4.37Å; F212-L331 HydrophobicContact CE1-CD1 4.21Å; F212-L331 HydrophobicContact CE1-CD2 3.91Å; F212-L331 HydrophobicContact CG-CD2 3.75Å; A213-L331 HydrophobicContact CB-CD1 4.49Å; P256-L331 CarbonylContact C-O 3.53Å; P256-L331 VanDerWaalsContact CA-O 3.27Å; P256-L331 WeakPolarHBondContact CA-O 3.24Å; V257-L331 PolarHBondContact N-O 3.35Å; V257-L331 WeakPolarHBondContact O-CA 3.47Å; V257-L331 WeakPolarHBondContact O-CB 3.18Å; V257-L331 PolarHBondContact O-N 2.94Å; L259-L331 HydrophobicContact CB-CD1 3.75Å; L259-L331 HydrophobicContact CD2-CD1 4.38Å; G280-L331 VanDerWaalsContact O-CA 3.3Å; G280-L331 WeakPolarHBondContact O-CA 3.3Å; T282-L331 HydrophobicContact CG2-CD2 4.38Å; A306-L331 HydrophobicContact CB-CD2 4.12Å; A329-L331 HydrophobicContact CB-CD1 4.32Å; A329-L331 HydrophobicContact CB-CG 4.27Å; A329-L331 PolarHBondContact O-N 3.02Å
332	C	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	179.7	171.9	69.1	0	0	0	0	110.5	F245 A249 P256 G280 I281 T282	F245-C332 HydrophobicContact CE2-CB 3.9Å; A249-C332 HydrophobicContact CB-CB 3.65Å; P256-C332 HydrophobicContact CB-CB 3.96Å; G280-C332 PolarHBondContact O-N 3.11Å; I281-C332 CarbonylContact C-O 3.59Å; I281-C332 VanDerWaalsContact CA-O 3.27Å; I281-C332 WeakPolarHBondContact CA-O 3.28Å; I281-C332 VanDerWaalsContact CD1-SG 3.55Å; T282-C332 PolarHBondContact N-O 2.93Å; T282-C332 PolarHBondContact OG1-O 3.42Å
333	E	98.9	Very high	98.7	Very high	27 Å²	27	28 Å²	28	13%	0.126	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	157.8	163.7	-60.3	-179	144.5	0	0	110.6	S252 E254 T282 F283 M335	S252-E333 WeakPolarHBondContact CB-OE2 3.34Å; S252-E333 PolarHBondContact OG-OE2 3.02Å; E254-E333 HydrophobicContact CB-CG 4.43Å; T282-E333 WeakPolarHBondContact OG1-CG 3.37Å; F283-E333 HydrophobicContact CB-CG 4.38Å; E333-M335 HydrophobicContact CB-CG 3.92Å
334	N	98.9	Very high	98.8	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.7	169.1	-175.4	27.4	0	0	0	109.3	V248 I281 F283 D284 S285 G286 T360 E363	V248-N334 HydrophobicContact CG1-CB 4.06Å; I281-N334 HydrophobicContact CG2-CB 4.28Å; F283-N334 PolarHBondContact O-N 3.42Å; D284-N334 WeakPolarHBondContact OD1-CB 3.28Å; D284-N334 PolarHBondContact OD1-ND2 3.26Å; S285-N334 WeakPolarHBondContact CB-O 3.41Å; S285-N334 PolarHBondContact N-O 3.08Å; S285-N334 VanDerWaalsContact N-O 3.08Å; S285-N334 PolarHBondContact OG-O 3.48Å; G286-N334 WeakPolarHBondContact CA-ND2 3.35Å; N334-T360 PolarHBondContact ND2-O 3.28Å; N334-E363 HydrophobicContact CB-CG 4.01Å
335	M	98.9	Very high	98.8	Very high	57 Å²	57	30.3 Å²	30.3	28%	0.281	19%	0.193	S	C	.	.			trans	-137.5	139	-166.7	-69	-63	-74.8	0	0	112.9	G251 F283 S285 E333 A340	G251-M335 CarbonylContact C-O 3.57Å; G251-M335 WeakPolarHBondContact CA-O 2.96Å; F283-M335 HydrophobicContact CD1-SD 3.85Å; F283-M335 HydrophobicContact CE1-SD 4.35Å; S285-M335 WeakPolarHBondContact OG-CA 3.24Å; E333-M335 HydrophobicContact CB-CG 3.92Å; M335-A340 WeakPolarHBondContact O-CB 3.18Å
336	P	98.8	Very high	98.8	Very high	59 Å²	59	33.3 Å²	33.3	38%	0.383	21%	0.212	S	C	.	.			trans	-71.4	133.8	170.1	29.5	-35.8	0	0	0	111.3	S285 G287 I288 L290	S285-P336 WeakPolarHBondContact OG-CD 3.46Å; G287-P336 WeakPolarHBondContact O-CB 3.49Å; I288-P336 HydrophobicContact CD1-CB 4.18Å; L290-P336 HydrophobicContact CD1-CG 4.18Å
337	S	98.8	Very high	98.8	Very high	42 Å²	42	33.7 Å²	33.7	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	-163.8	173.2	171.2	66.2	0	0	0	0	109.8	G251 K339 A340	G251-S337 VanDerWaalsContact O-CB 3.31Å; G251-S337 WeakPolarHBondContact O-CB 3.44Å; G251-S337 PolarHBondContact O-OG 3.06Å; S337-K339 PolarHBondContact O-N 3.32Å; S337-K339 WeakPolarHBondContact OG-CG 3.45Å; S337-K339 PolarHBondContact OG-N 2.9Å; S337-A340 WeakPolarHBondContact O-CB 3.24Å; S337-A340 PolarHBondContact O-N 3.17Å; S337-A340 VanDerWaalsContact O-N 3.16Å; S337-A340 PolarHBondContact OG-N 3.26Å
338	G	98.7	Very high	98.8	Very high	97 Å²	97	37.3 Å²	37.3	100%	1	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-5.5	174.6	0	0	0	0	0	115.2
339	K	98.6	Very high	98.8	Very high	82 Å²	82	37.5 Å²	37.5	36%	0.357	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	1.2	178.6	57.3	170.8	-170.1	177.6	0	113.6	R250 S252 E253 S337	R250-K339 WeakPolarHBondContact CD-O 3.3Å; R250-K339 WeakPolarHBondContact CG-O 3.48Å; R250-K339 WeakPolarHBondContact O-CD 3.25Å; R250-K339 WeakPolarHBondContact O-CE 3.17Å; R250-K339 VanDerWaalsContact O-CG 3.25Å; R250-K339 WeakPolarHBondContact O-CG 3.26Å; S252-K339 VanDerWaalsContact O-CE 3.26Å; S252-K339 WeakPolarHBondContact O-CE 3.5Å; S252-K339 PolarHBondContact O-NZ 3.09Å; E253-K339 WeakPolarHBondContact OE1-CE 3.35Å; E253-K339 IonicContact OE1-NZ 2.66Å; E253-K339 PolarHBondContact OE1-NZ 2.8Å; E253-K339 IonicContact OE2-NZ 2.88Å; E253-K339 PolarHBondContact OE2-NZ 2.64Å; S337-K339 PolarHBondContact O-N 3.32Å; S337-K339 WeakPolarHBondContact OG-CG 3.45Å; S337-K339 PolarHBondContact OG-N 2.9Å
340	A	98.8	Very high	98.8	Very high	9 Å²	9	39.7 Å²	39.7	7%	0.074	25%	0.247	C	C	.	.	S	Bend	trans	-67.2	161.5	178.3	0	0	0	0	0	112.5	I288 M335 S337	I288-A340 HydrophobicContact CD1-CB 4.25Å; I288-A340 HydrophobicContact CG1-CB 4.1Å; M335-A340 WeakPolarHBondContact O-CB 3.18Å; S337-A340 WeakPolarHBondContact O-CB 3.24Å; S337-A340 PolarHBondContact O-N 3.17Å; S337-A340 VanDerWaalsContact O-N 3.16Å; S337-A340 PolarHBondContact OG-N 3.26Å
341	T	98.7	Very high	98.7	Very high	10 Å²	10	43 Å²	43	6%	0.061	27%	0.265	C	S	.	.			trans	-66.5	147.6	169	-65.3	0	0	0	0	110.5	S247 R250 I288 D345 V357 T360	S247-T341 PolarHBondContact O-OG1 3.47Å; R250-T341 PolarHBondContact NE-OG1 3.47Å; R250-T341 PolarHBondContact NH2-OG1 3.15Å; I288-T341 WeakPolarHBondContact CG1-O 3.15Å; T341-D345 HydrophobicContact CG2-CB 3.91Å; T341-V357 HydrophobicContact CG2-CB 4.08Å; T341-V357 HydrophobicContact CG2-CG1 3.79Å; T341-V357 HydrophobicContact CG2-CG2 4.43Å; T341-T360 HydrophobicContact CG2-CG2 4.08Å; T341-T360 WeakPolarHBondContact O-CG2 3.13Å
342	K	98.8	Very high	98.7	Very high	103 Å²	103	45.4 Å²	45.4	45%	0.448	29%	0.289	S	S	.	.			trans	-118.1	147.9	-177.5	-55.2	170.2	-52	-52	0	109.4	G344 D345	K342-G344 PolarHBondContact O-N 3.19Å; K342-D345 WeakPolarHBondContact CE-OD1 3.31Å; K342-D345 PolarHBondContact N-OD2 3.05Å; K342-D345 IonicContact NZ-OD1 2.73Å; K342-D345 PolarHBondContact NZ-OD1 3.47Å; K342-D345 IonicContact NZ-OD2 2.64Å; K342-D345 PolarHBondContact NZ-OD2 3.02Å; K342-D345 WeakPolarHBondContact O-CB 2.95Å; K342-D345 PolarHBondContact O-N 3.48Å
343	P	98.7	Very high	98.7	Very high	68 Å²	68	48.2 Å²	48.2	44%	0.442	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	127.2	166.4	-30.7	38	0	0	0	111.9	I288 V357	I288-P343 HydrophobicContact CG2-CG 4.45Å; P343-V357 CarbonylContact C-O 3.6Å; P343-V357 VanDerWaalsContact CA-O 3.27Å; P343-V357 WeakPolarHBondContact CA-O 3.38Å
344	G	98	Very high	98.7	Very high	29 Å²	29	48.7 Å²	48.7	30%	0.299	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-1.8	-177.3	0	0	0	0	0	115.7	K342 V357	K342-G344 PolarHBondContact O-N 3.19Å; G344-V357 PolarHBondContact N-O 3.28Å
345	D	98.8	Very high	98.7	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.2	167.4	-84.3	-21.4	0	0	0	110	R250 T341 K342 V357	R250-D345 IonicContact NH2-OD2 2.59Å; R250-D345 PolarHBondContact NH2-OD2 3.04Å; T341-D345 HydrophobicContact CG2-CB 3.91Å; K342-D345 WeakPolarHBondContact CE-OD1 3.31Å; K342-D345 PolarHBondContact N-OD2 3.05Å; K342-D345 IonicContact NZ-OD1 2.73Å; K342-D345 PolarHBondContact NZ-OD1 3.47Å; K342-D345 IonicContact NZ-OD2 2.64Å; K342-D345 PolarHBondContact NZ-OD2 3.02Å; K342-D345 WeakPolarHBondContact O-CB 2.95Å; K342-D345 PolarHBondContact O-N 3.48Å; D345-V357 PolarHBondContact O-N 3.2Å
346	V	98.9	Very high	98.7	Very high	67 Å²	67	46.1 Å²	46.1	41%	0.406	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.1	169.7	178.6	0	0	0	0	109.7	T354 I355 Q356 L444 A445	V346-T354 HydrophobicContact CG1-CG2 4.43Å; V346-I355 CarbonylContact C-O 3.51Å; V346-I355 WeakPolarHBondContact CA-O 3.24Å; V346-Q356 HydrophobicContact CG2-CB 4.45Å; V346-L444 HydrophobicContact CG2-CB 3.71Å; V346-L444 HydrophobicContact CG2-CD1 4.42Å; V346-A445 HydrophobicContact CG1-CB 3.94Å; V346-A445 HydrophobicContact CG2-CB 4.34Å
347	V	98.8	Very high	98.7	Very high	14 Å²	14	43.3 Å²	43.3	9%	0.085	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.2	-178.6	-55.3	0	0	0	0	111	A244 T354 I355 V357	A244-V347 HydrophobicContact CB-CG2 4.27Å; V347-T354 CarbonylContact O-C 3.59Å; V347-T354 WeakPolarHBondContact O-CA 2.96Å; V347-I355 HydrophobicContact CG2-CB 4.01Å; V347-I355 HydrophobicContact CG2-CD1 4.38Å; V347-I355 PolarHBondContact N-O 3.49Å; V347-I355 PolarHBondContact O-N 2.97Å; V347-V357 HydrophobicContact CG1-CG2 4.31Å; V347-V357 HydrophobicContact CG2-CG2 3.9Å
348	T	98.9	Very high	98.7	Very high	77 Å²	77	43.9 Å²	43.9	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127	178.2	-48	0	0	0	0	110.2	G243 A244	G243-T348 CarbonylContact C-O 3.59Å; G243-T348 VanDerWaalsContact CA-O 3.23Å; G243-T348 WeakPolarHBondContact CA-O 2.98Å; A244-T348 PolarHBondContact N-O 2.81Å
349	A	98.9	Very high	98.6	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	24%	0.239	C	C	.	.			trans	-84	165.9	172.7	0	0	0	0	0	111.9	A244 N351 G352 K353 I355 D370 F469	A244-A349 HydrophobicContact CB-CB 4.3Å; A349-N351 PolarHBondContact O-N 3.31Å; A349-G352 WeakPolarHBondContact O-CA 3.33Å; A349-G352 PolarHBondContact O-N 3.13Å; A349-K353 PolarHBondContact N-O 3.17Å; A349-I355 HydrophobicContact CB-CD1 4.02Å; A349-D370 WeakPolarHBondContact CA-OD1 3.33Å; A349-F469 HydrophobicContact CB-CD1 4.3Å; A349-F469 HydrophobicContact CB-CE1 3.61Å; A349-F469 HydrophobicContact CB-CZ 4.41Å
350	K	98.6	Very high	98.6	Very high	47 Å²	47	37.9 Å²	37.9	20%	0.204	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.6	-177.1	179.4	168.1	-177.4	58.1	0	115.3	Q240 M242 G352 D370 C373	Q240-K350 WeakPolarHBondContact O-CD 3.45Å; Q240-K350 WeakPolarHBondContact O-CG 3.34Å; Q240-K350 PolarHBondContact O-NZ 2.85Å; M242-K350 HydrophobicContact CE-CD 4.31Å; M242-K350 HydrophobicContact CG-CD 4.34Å; K350-G352 VanDerWaalsContact C-N 3.33Å; K350-D370 HydrophobicContact CB-CB 4.46Å; K350-D370 WeakPolarHBondContact CB-OD1 3.47Å; K350-D370 PolarHBondContact N-OD1 2.93Å; K350-C373 HydrophobicContact CB-CB 3.97Å; K350-C373 HydrophobicContact CD-CB 4.34Å; K350-C373 HydrophobicContact CG-CB 4.17Å
351	N	98.3	Very high	98.6	Very high	70 Å²	70	40 Å²	40	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.6	174.2	66.9	-7.3	0	0	0	114	A349 K353 F469	A349-N351 PolarHBondContact O-N 3.31Å; N351-K353 VanDerWaalsContact C-N 3.31Å; N351-K353 PolarHBondContact O-N 2.97Å; N351-K353 WeakPolarHBondContact OD1-CB 3.09Å; N351-K353 PolarHBondContact OD1-N 3.43Å; N351-K353 VanDerWaalsContact OD1-N 3.16Å; N351-F469 WeakPolarHBondContact ND2-CD1 3.13Å
352	G	98.6	Very high	98.6	Very high	49 Å²	49	39.9 Å²	39.9	51%	0.505	23%	0.233	S	C	.	.	S	Bend	trans	85	-11.1	-178.1	0	0	0	0	0	115.2	A349 K350	A349-G352 WeakPolarHBondContact O-CA 3.33Å; A349-G352 PolarHBondContact O-N 3.13Å; K350-G352 VanDerWaalsContact C-N 3.33Å
353	K	98.8	Very high	98.6	Very high	60 Å²	60	35.2 Å²	35.2	26%	0.261	21%	0.213	S	C	.	.			trans	-64.9	138.4	175.2	-73.9	-171.8	174.8	171.9	0	110.7	A349 N351 L447 E468 F469	A349-K353 PolarHBondContact N-O 3.17Å; N351-K353 VanDerWaalsContact C-N 3.31Å; N351-K353 PolarHBondContact O-N 2.97Å; N351-K353 WeakPolarHBondContact OD1-CB 3.09Å; N351-K353 PolarHBondContact OD1-N 3.43Å; N351-K353 VanDerWaalsContact OD1-N 3.16Å; K353-L447 HydrophobicContact CD-CD1 4.06Å; K353-E468 PolarHBondContact NZ-O 2.83Å; K353-E468 IonicContact NZ-OE2 3.55Å; K353-E468 PolarHBondContact NZ-OE2 2.84Å; K353-F469 HydrophobicContact CB-CE1 4.19Å; K353-F469 HydrophobicContact CD-CE1 4.49Å
354	T	98.9	Very high	98.6	Very high	37 Å²	37	32 Å²	32	23%	0.227	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144	173	58.5	0	0	0	0	111.1	V346 V347 A445 D446 L447	V346-T354 HydrophobicContact CG1-CG2 4.43Å; V347-T354 CarbonylContact O-C 3.59Å; V347-T354 WeakPolarHBondContact O-CA 2.96Å; T354-A445 WeakPolarHBondContact OG1-CA 3.41Å; T354-A445 WeakPolarHBondContact OG1-CB 3.42Å; T354-D446 WeakPolarHBondContact CB-OD2 3.45Å; T354-D446 PolarHBondContact N-OD2 3.12Å; T354-D446 PolarHBondContact O-N 3.47Å; T354-D446 PolarHBondContact OG1-N 2.97Å; T354-D446 PolarHBondContact OG1-OD2 3.47Å; T354-L447 PolarHBondContact O-N 2.89Å; T354-L447 VanDerWaalsContact O-N 3.14Å
355	I	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.2	-178.9	-57.6	153.5	0	0	0	108.6	A244 V346 V347 A349 V357 L366 L447 N449 F465 F469	A244-I355 HydrophobicContact CB-CD1 3.92Å; V346-I355 CarbonylContact C-O 3.51Å; V346-I355 WeakPolarHBondContact CA-O 3.24Å; V347-I355 HydrophobicContact CG2-CB 4.01Å; V347-I355 HydrophobicContact CG2-CD1 4.38Å; V347-I355 PolarHBondContact N-O 3.49Å; V347-I355 PolarHBondContact O-N 2.97Å; A349-I355 HydrophobicContact CB-CD1 4.02Å; I355-V357 HydrophobicContact CG2-CG2 4.33Å; I355-L366 HydrophobicContact CD1-CD2 4.14Å; I355-L366 HydrophobicContact CG2-CD2 3.7Å; I355-L447 HydrophobicContact CG1-CB 4.42Å; I355-L447 HydrophobicContact CG1-CD1 4.45Å; I355-N449 HydrophobicContact CG2-CB 3.93Å; I355-F465 HydrophobicContact CD1-CZ 3.88Å; I355-F465 HydrophobicContact CG1-CE2 4.27Å; I355-F465 HydrophobicContact CG1-CZ 3.94Å; I355-F465 HydrophobicContact CG2-CE2 3.8Å; I355-F465 HydrophobicContact CG2-CZ 3.84Å; I355-F469 HydrophobicContact CD1-CE1 4.4Å; I355-F469 HydrophobicContact CD1-CZ 3.82Å; I355-F469 HydrophobicContact CG1-CZ 4.05Å
356	Q	98.8	Very high	98.6	Very high	12 Å²	12	30 Å²	30	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122	165.3	179.2	176.7	-16.2	0	0	108.9	V346 D358 S442 Q443 L444 A445 L447 N449	V346-Q356 HydrophobicContact CG2-CB 4.45Å; Q356-D358 WeakPolarHBondContact CG-OD1 3.3Å; Q356-D358 VanDerWaalsContact NE2-CG 3.28Å; Q356-D358 PolarHBondContact NE2-OD1 3.47Å; Q356-D358 PolarHBondContact NE2-OD2 2.85Å; Q356-D358 VanDerWaalsContact NE2-OD2 3.08Å; Q356-S442 PolarHBondContact OE1-OG 3.3Å; Q356-Q443 VanDerWaalsContact OE1-N 3.14Å; Q356-L444 HydrophobicContact CG-CB 4.38Å; Q356-L444 HydrophobicContact CG-CD1 4.33Å; Q356-A445 HydrophobicContact CB-CB 3.97Å; Q356-L447 PolarHBondContact N-O 3.44Å; Q356-N449 PolarHBondContact O-N 2.89Å
357	V	98.8	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	83.2	-178.7	-174.7	0	0	0	0	109.2	T341 P343 G344 D345 V347 I355 T360 L366 N449	T341-V357 HydrophobicContact CG2-CB 4.08Å; T341-V357 HydrophobicContact CG2-CG1 3.79Å; T341-V357 HydrophobicContact CG2-CG2 4.43Å; P343-V357 CarbonylContact C-O 3.6Å; P343-V357 VanDerWaalsContact CA-O 3.27Å; P343-V357 WeakPolarHBondContact CA-O 3.38Å; G344-V357 PolarHBondContact N-O 3.28Å; D345-V357 PolarHBondContact O-N 3.2Å; V347-V357 HydrophobicContact CG1-CG2 4.31Å; V347-V357 HydrophobicContact CG2-CG2 3.9Å; I355-V357 HydrophobicContact CG2-CG2 4.33Å; V357-T360 HydrophobicContact CG1-CG2 4.15Å; V357-L366 HydrophobicContact CG1-CD1 4.07Å; V357-L366 HydrophobicContact CG2-CD1 3.9Å; V357-L366 HydrophobicContact CG2-CD2 4.3Å; V357-N449 WeakPolarHBondContact CA-OD1 3.49Å
358	D	97.9	Very high	98.6	Very high	55 Å²	55	26.1 Å²	26.1	29%	0.294	15%	0.15	S	C	.	.	S	Bend	trans	-80.5	-20.3	179.3	-79.7	-10.7	0	0	0	113.2	Q356 N448 N449 I450	Q356-D358 WeakPolarHBondContact CG-OD1 3.3Å; Q356-D358 VanDerWaalsContact NE2-CG 3.28Å; Q356-D358 PolarHBondContact NE2-OD1 3.47Å; Q356-D358 PolarHBondContact NE2-OD2 2.85Å; Q356-D358 VanDerWaalsContact NE2-OD2 3.08Å; D358-N448 PolarHBondContact OD2-ND2 3.11Å; D358-N449 PolarHBondContact N-OD1 3.4Å; D358-N449 VanDerWaalsContact N-OD1 3.09Å; D358-I450 HydrophobicContact CB-CD1 3.92Å; D358-I450 HydrophobicContact CB-CG1 4.02Å
359	N	98.2	Very high	98.6	Very high	47 Å²	47	22.4 Å²	22.4	25%	0.251	13%	0.127	S	C	.	.			trans	-135.8	120.5	175.5	-173.8	-1.9	0	0	0	110.6	S289 D361 A362 N449 I450	S289-N359 WeakPolarHBondContact CB-OD1 3.15Å; S289-N359 PolarHBondContact OG-OD1 3.24Å; S289-N359 VanDerWaalsContact OG-OD1 3.12Å; N359-D361 PolarHBondContact O-N 2.68Å; N359-D361 WeakPolarHBondContact OD1-CB 3.29Å; N359-D361 PolarHBondContact OD1-N 2.96Å; N359-A362 PolarHBondContact O-N 3.16Å; N359-N449 PolarHBondContact N-OD1 3.09Å; N359-N449 PolarHBondContact O-ND2 2.92Å; N359-I450 HydrophobicContact CB-CD1 4.42Å; N359-I450 HydrophobicContact CB-CG2 3.66Å
360	T	98.7	Very high	98.6	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.031	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.1	178.5	64	0	0	0	0	113.5	G286 I288 S289 N334 T341 V357 A362	G286-T360 CarbonylContact O-C 3.59Å; G286-T360 WeakPolarHBondContact O-CB 3.29Å; G286-T360 PolarHBondContact O-OG1 2.62Å; I288-T360 PolarHBondContact N-OG1 3.06Å; S289-T360 WeakPolarHBondContact CB-OG1 3.33Å; S289-T360 PolarHBondContact N-OG1 2.94Å; S289-T360 PolarHBondContact OG-N 2.78Å; S289-T360 PolarHBondContact OG-OG1 2.81Å; N334-T360 PolarHBondContact ND2-O 3.28Å; T341-T360 HydrophobicContact CG2-CG2 4.08Å; T341-T360 WeakPolarHBondContact O-CG2 3.13Å; V357-T360 HydrophobicContact CG1-CG2 4.15Å; T360-A362 PolarHBondContact O-N 2.87Å
361	D	98.3	Very high	98.7	Very high	55 Å²	55	20 Å²	20	29%	0.294	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.9	166.7	-153.7	64	0	0	0	112.4	G286 K291 N359	G286-D361 WeakPolarHBondContact CA-OD1 3.46Å; G286-D361 PolarHBondContact O-N 2.66Å; K291-D361 VanDerWaalsContact CE-OD1 3.24Å; K291-D361 WeakPolarHBondContact CE-OD1 3.38Å; K291-D361 WeakPolarHBondContact CG-OD1 3.37Å; K291-D361 VanDerWaalsContact NZ-CG 3.31Å; K291-D361 IonicContact NZ-OD1 2.97Å; K291-D361 PolarHBondContact NZ-OD1 3.47Å; K291-D361 IonicContact NZ-OD2 2.77Å; K291-D361 PolarHBondContact NZ-OD2 2.87Å; N359-D361 PolarHBondContact O-N 2.68Å; N359-D361 WeakPolarHBondContact OD1-CB 3.29Å; N359-D361 PolarHBondContact OD1-N 2.96Å
362	A	98.1	Very high	98.7	Very high	6 Å²	6	16.7 Å²	16.7	5%	0.05	10%	0.099	C	C	.	.			trans	-124.9	42.9	172.1	0	0	0	0	0	110	N359 T360 R365 N449 I450	N359-A362 PolarHBondContact O-N 3.16Å; T360-A362 PolarHBondContact O-N 2.87Å; A362-R365 WeakPolarHBondContact O-CG 3.33Å; A362-N449 WeakPolarHBondContact CB-ND2 3.08Å; A362-N449 PolarHBondContact O-ND2 3.44Å; A362-I450 HydrophobicContact CB-CG2 4.02Å
363	E	98.8	Very high	98.7	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.023	8%	0.08	C	C	.	.			trans	-71.7	-37.6	-179.2	77.1	-50.1	119.7	0	0	113.7	V248 K279 I281 N334 R365 L366 I367	V248-E363 HydrophobicContact CB-CB 4.45Å; V248-E363 HydrophobicContact CG1-CB 3.76Å; V248-E363 HydrophobicContact CG1-CG 4.13Å; V248-E363 HydrophobicContact CG2-CB 3.78Å; K279-E363 WeakPolarHBondContact CE-OE1 3.48Å; K279-E363 IonicContact NZ-OE1 2.72Å; K279-E363 PolarHBondContact NZ-OE1 2.92Å; I281-E363 HydrophobicContact CD1-CG 3.92Å; I281-E363 HydrophobicContact CG1-CG 3.95Å; N334-E363 HydrophobicContact CB-CG 4.01Å; E363-R365 PolarHBondContact O-N 3.48Å; E363-R365 VanDerWaalsContact O-N 3.16Å; E363-L366 WeakPolarHBondContact O-CA 3.32Å; E363-L366 WeakPolarHBondContact O-CB 3.31Å; E363-L366 PolarHBondContact O-N 3.45Å; E363-I367 PolarHBondContact O-N 3.03Å; E363-I367 VanDerWaalsContact O-N 3.13Å
364	G	98.8	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.9	-27.2	-167.8	0	0	0	0	0	112.4	I367 L368	G364-I367 WeakPolarHBondContact O-CG1 3.36Å; G364-L368 VanDerWaalsContact O-CB 3.32Å; G364-L368 WeakPolarHBondContact O-CB 3.36Å; G364-L368 VanDerWaalsContact O-CD1 3.26Å; G364-L368 WeakPolarHBondContact O-CD1 3.21Å; G364-L368 WeakPolarHBondContact O-CG 3.21Å; G364-L368 PolarHBondContact O-N 3.39Å
365	R	98.7	Very high	98.7	Very high	17 Å²	17	11.6 Å²	11.6	6%	0.064	6%	0.061	C	C	.	.	H	α-helix	trans	-76.9	-27.2	172.5	73.5	-170	75.8	-171.2	-4.8	112.7	A362 E363 A369 L389 N449 F465 L466	A362-R365 WeakPolarHBondContact O-CG 3.33Å; E363-R365 PolarHBondContact O-N 3.48Å; E363-R365 VanDerWaalsContact O-N 3.16Å; R365-A369 WeakPolarHBondContact O-CB 3.48Å; R365-A369 PolarHBondContact O-N 3.47Å; R365-L389 HydrophobicContact CB-CD1 4.35Å; R365-N449 WeakPolarHBondContact CD-O 3.11Å; R365-N449 PolarHBondContact NE-O 2.88Å; R365-N449 PolarHBondContact NH1-O 2.91Å; R365-F465 HydrophobicContact CB-CD1 3.63Å; R365-F465 HydrophobicContact CB-CE1 3.84Å; R365-F465 HydrophobicContact CG-CD1 3.59Å; R365-F465 HydrophobicContact CG-CE1 3.57Å; R365-F465 HydrophobicContact CG-CG 4.21Å; R365-F465 HydrophobicContact CG-CZ 4.18Å; R365-L466 HydrophobicContact CB-CD2 4.02Å
366	L	98.9	Very high	98.7	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-68.7	-47.5	174.1	-52.6	179.4	0	0	0	110.5	A244 V248 I355 V357 E363 L368 A369 N449 F465	A244-L366 HydrophobicContact CB-CB 4.16Å; A244-L366 WeakPolarHBondContact CB-O 3.46Å; V248-L366 HydrophobicContact CG2-CB 4.03Å; V248-L366 HydrophobicContact CG2-CD1 3.97Å; I355-L366 HydrophobicContact CD1-CD2 4.14Å; I355-L366 HydrophobicContact CG2-CD2 3.7Å; V357-L366 HydrophobicContact CG1-CD1 4.07Å; V357-L366 HydrophobicContact CG2-CD1 3.9Å; V357-L366 HydrophobicContact CG2-CD2 4.3Å; E363-L366 WeakPolarHBondContact O-CA 3.32Å; E363-L366 WeakPolarHBondContact O-CB 3.31Å; E363-L366 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.05Å; L366-A369 WeakPolarHBondContact O-CB 3.32Å; L366-A369 PolarHBondContact O-N 3.37Å; L366-N449 HydrophobicContact CD2-CB 3.86Å; L366-F465 HydrophobicContact CD2-CZ 4.05Å
367	I	98.9	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.3	-34.7	178.6	84	173.6	0	0	0	111.7	F245 V248 K279 I281 P330 E363 G364 A371	F245-I367 HydrophobicContact CB-CB 4.37Å; F245-I367 HydrophobicContact CD2-CB 3.69Å; F245-I367 HydrophobicContact CD2-CG2 3.61Å; F245-I367 HydrophobicContact CE2-CB 4.38Å; F245-I367 HydrophobicContact CE2-CG2 4.31Å; F245-I367 HydrophobicContact CG-CB 4.27Å; F245-I367 HydrophobicContact CG-CG2 4.49Å; V248-I367 HydrophobicContact CB-CG2 3.95Å; V248-I367 HydrophobicContact CG1-CG2 4.27Å; V248-I367 HydrophobicContact CG2-CG2 3.75Å; K279-I367 HydrophobicContact CG-CD1 4.07Å; I281-I367 HydrophobicContact CD1-CD1 3.77Å; I281-I367 HydrophobicContact CD1-CG2 4.19Å; I281-I367 HydrophobicContact CG1-CD1 3.99Å; P330-I367 HydrophobicContact CB-CB 4.12Å; P330-I367 HydrophobicContact CB-CD1 4.17Å; P330-I367 HydrophobicContact CB-CG1 4.24Å; P330-I367 HydrophobicContact CG-CB 4.09Å; P330-I367 HydrophobicContact CG-CD1 3.84Å; P330-I367 HydrophobicContact CG-CG1 3.76Å; P330-I367 WeakPolarHBondContact O-CD1 3.45Å; E363-I367 PolarHBondContact O-N 3.03Å; E363-I367 VanDerWaalsContact O-N 3.13Å; G364-I367 WeakPolarHBondContact O-CG1 3.36Å; I367-A371 PolarHBondContact O-N 3.38Å
368	L	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.2	-31.3	176.5	-74	169.2	0	0	0	112.8	V277 K279 G364 L366 D370 A371 L372 A387 L389 L466	V277-L368 HydrophobicContact CG1-CD2 3.83Å; K279-L368 HydrophobicContact CB-CD1 4.34Å; G364-L368 VanDerWaalsContact O-CB 3.32Å; G364-L368 WeakPolarHBondContact O-CB 3.36Å; G364-L368 VanDerWaalsContact O-CD1 3.26Å; G364-L368 WeakPolarHBondContact O-CD1 3.21Å; G364-L368 WeakPolarHBondContact O-CG 3.21Å; G364-L368 PolarHBondContact O-N 3.39Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.05Å; L368-D370 PolarHBondContact O-N 3.47Å; L368-A371 PolarHBondContact O-N 3.29Å; L368-L372 VanDerWaalsContact O-CB 3.26Å; L368-L372 WeakPolarHBondContact O-CB 3.5Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 2.82Å; L368-A387 HydrophobicContact CD1-CB 3.82Å; L368-L389 HydrophobicContact CD1-CD1 4.24Å; L368-L466 HydrophobicContact CB-CD2 3.57Å; L368-L466 HydrophobicContact CD1-CD1 4.19Å; L368-L466 HydrophobicContact CD1-CD2 4.09Å; L368-L466 HydrophobicContact CG-CD2 4.49Å
369	A	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.9	-50.1	177.2	0	0	0	0	0	111.5	R365 L366 C373 F465 F469	R365-A369 WeakPolarHBondContact O-CB 3.48Å; R365-A369 PolarHBondContact O-N 3.47Å; L366-A369 WeakPolarHBondContact O-CB 3.32Å; L366-A369 PolarHBondContact O-N 3.37Å; A369-C373 WeakPolarHBondContact O-CB 3.35Å; A369-C373 PolarHBondContact O-N 2.65Å; A369-C373 PolarHBondContact O-SG 3Å; A369-F465 HydrophobicContact CB-CE1 4.43Å; A369-F469 HydrophobicContact CB-CB 4.43Å; A369-F469 HydrophobicContact CB-CD1 3.68Å; A369-F469 HydrophobicContact CB-CD2 3.6Å; A369-F469 HydrophobicContact CB-CE1 3.77Å; A369-F469 HydrophobicContact CB-CE2 3.69Å; A369-F469 HydrophobicContact CB-CG 3.59Å; A369-F469 HydrophobicContact CB-CZ 3.77Å
370	D	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.2	-37.9	178.7	-71.8	-29.6	0	0	0	112.8	M242 G243 A244 F245 A349 K350 L368 C373 Y374	M242-D370 WeakPolarHBondContact CA-OD2 3.49Å; M242-D370 HydrophobicContact CB-CB 3.92Å; M242-D370 HydrophobicContact CG-CB 3.98Å; G243-D370 PolarHBondContact N-OD2 3.12Å; A244-D370 WeakPolarHBondContact CA-OD2 3.47Å; A244-D370 WeakPolarHBondContact CB-OD2 3.36Å; A244-D370 PolarHBondContact N-OD2 2.82Å; F245-D370 HydrophobicContact CB-CB 4.32Å; F245-D370 PolarHBondContact N-OD2 2.91Å; A349-D370 WeakPolarHBondContact CA-OD1 3.33Å; K350-D370 HydrophobicContact CB-CB 4.46Å; K350-D370 WeakPolarHBondContact CB-OD1 3.47Å; K350-D370 PolarHBondContact N-OD1 2.93Å; L368-D370 PolarHBondContact O-N 3.47Å; D370-C373 PolarHBondContact O-N 3.3Å; D370-Y374 WeakPolarHBondContact O-CB 3.43Å; D370-Y374 PolarHBondContact O-N 3.11Å
371	A	98.9	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.7	0	0	0	0	0	112.8	F258 V277 P330 I367 L368 G375	F258-A371 HydrophobicContact CE2-CB 3.85Å; F258-A371 HydrophobicContact CZ-CB 4.21Å; V277-A371 HydrophobicContact CG1-CB 3.71Å; P330-A371 HydrophobicContact CG-CB 3.88Å; I367-A371 PolarHBondContact O-N 3.38Å; L368-A371 PolarHBondContact O-N 3.29Å; A371-G375 PolarHBondContact O-N 2.89Å
372	L	98.9	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-46.4	172.2	-73.3	167.4	0	0	0	110.5	V277 L368 Y374 G375 H376 I383 N385 L466 F469 V470	V277-L372 HydrophobicContact CG2-CD2 4.48Å; L368-L372 VanDerWaalsContact O-CB 3.26Å; L368-L372 WeakPolarHBondContact O-CB 3.5Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 2.82Å; L372-Y374 PolarHBondContact O-N 3.16Å; L372-G375 WeakPolarHBondContact O-CA 3.26Å; L372-G375 PolarHBondContact O-N 2.63Å; L372-G375 VanDerWaalsContact O-N 3.11Å; L372-H376 PolarHBondContact O-N 3.47Å; L372-H376 PolarHBondContact O-ND1 3.28Å; L372-I383 HydrophobicContact CD2-CG2 3.86Å; L372-N385 HydrophobicContact CD2-CB 4.16Å; L372-L466 HydrophobicContact CD1-CB 4.26Å; L372-L466 HydrophobicContact CD1-CD2 3.99Å; L372-F469 HydrophobicContact CB-CB 4.36Å; L372-V470 HydrophobicContact CB-CG2 4.34Å; L372-V470 HydrophobicContact CD1-CG2 3.98Å; L372-V470 HydrophobicContact CD2-CG2 4.09Å; L372-V470 HydrophobicContact CG-CG2 4.37Å
373	C	98.8	Very high	98.5	Very high	18 Å²	18	20.9 Å²	20.9	12%	0.122	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-47.5	176	-70.6	0	0	0	0	112.3	K350 A369 D370 G375 H376	K350-C373 HydrophobicContact CB-CB 3.97Å; K350-C373 HydrophobicContact CD-CB 4.34Å; K350-C373 HydrophobicContact CG-CB 4.17Å; A369-C373 WeakPolarHBondContact O-CB 3.35Å; A369-C373 PolarHBondContact O-N 2.65Å; A369-C373 PolarHBondContact O-SG 3Å; D370-C373 PolarHBondContact O-N 3.3Å; C373-G375 VanDerWaalsContact C-N 3.29Å; C373-G375 PolarHBondContact O-N 3.33Å; C373-H376 PolarHBondContact O-N 2.86Å
374	Y	98.9	Very high	98.5	Very high	20 Å²	20	20.7 Å²	20.7	8%	0.078	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-38.3	174.5	-178.2	-117.8	0	0	0	111.8	W236 M242 F258 E260 L328 D370 L372 H376 T377 F378	W236-Y374 HydrophobicContact CH2-CD1 4.11Å; W236-Y374 HydrophobicContact CH2-CD2 4.45Å; W236-Y374 AromaticContact CH2-CE1 3.71Å; W236-Y374 HydrophobicContact CH2-CE1 3.71Å; W236-Y374 HydrophobicContact CH2-CE2 4.1Å; W236-Y374 HydrophobicContact CH2-CG 4.47Å; W236-Y374 AromaticContact CH2-CZ 3.72Å; W236-Y374 HydrophobicContact CZ2-CE1 4.12Å; W236-Y374 AromaticContact CZ2-CE2 3.98Å; W236-Y374 HydrophobicContact CZ2-CE2 3.98Å; W236-Y374 AromaticContact CZ2-CZ 3.66Å; M242-Y374 HydrophobicContact CE-CD1 4.3Å; M242-Y374 HydrophobicContact CE-CD2 4.44Å; M242-Y374 HydrophobicContact CE-CG 3.9Å; F258-Y374 AromaticContact CE1-CD1 3.71Å; F258-Y374 HydrophobicContact CE1-CD1 3.71Å; F258-Y374 AromaticContact CE1-CE1 3.95Å; F258-Y374 HydrophobicContact CE1-CE1 3.95Å; F258-Y374 AromaticContact CZ-CD1 3.74Å; F258-Y374 HydrophobicContact CZ-CD1 3.74Å; F258-Y374 HydrophobicContact CZ-CE1 4.44Å; E260-Y374 PolarHBondContact OE2-OH 3.49Å; L328-Y374 HydrophobicContact CD1-CD1 4.09Å; L328-Y374 HydrophobicContact CD2-CD1 4.27Å; L328-Y374 HydrophobicContact CD2-CE1 4.21Å; D370-Y374 WeakPolarHBondContact O-CB 3.43Å; D370-Y374 PolarHBondContact O-N 3.11Å; L372-Y374 PolarHBondContact O-N 3.16Å; Y374-H376 VanDerWaalsContact C-N 3.26Å; Y374-H376 PolarHBondContact O-N 3.41Å; Y374-T377 HydrophobicContact CD2-CG2 4.46Å; Y374-T377 WeakPolarHBondContact O-CB 3.46Å; Y374-T377 WeakPolarHBondContact O-CG2 3.42Å; Y374-T377 PolarHBondContact O-N 3.04Å; Y374-T377 PolarHBondContact O-OG1 2.75Å; Y374-F378 HydrophobicContact CD1-CE2 4.06Å; Y374-F378 HydrophobicContact CD1-CZ 4.47Å; Y374-F378 AromaticContact CE1-CE2 3.67Å; Y374-F378 HydrophobicContact CE1-CE2 3.67Å; Y374-F378 AromaticContact CE1-CZ 3.63Å; Y374-F378 HydrophobicContact CE1-CZ 3.63Å; Y374-F378 AromaticContact CZ-CZ 3.71Å
375	G	98.6	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-54.3	-34	177.5	0	0	0	0	0	115.6	L275 A371 L372 C373 T377 F378	L275-G375 VanDerWaalsContact CD2-CA 3.4Å; A371-G375 PolarHBondContact O-N 2.89Å; L372-G375 WeakPolarHBondContact O-CA 3.26Å; L372-G375 PolarHBondContact O-N 2.63Å; L372-G375 VanDerWaalsContact O-N 3.11Å; C373-G375 VanDerWaalsContact C-N 3.29Å; C373-G375 PolarHBondContact O-N 3.33Å; G375-T377 PolarHBondContact O-N 3.17Å; G375-F378 PolarHBondContact O-N 2.75Å
376	H	98.6	Very high	98.5	Very high	38 Å²	38	19.9 Å²	19.9	18%	0.176	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.6	178.8	-70.2	70.6	0	0	0	112.7	L372 C373 Y374 F378 N379 T471 A472	L372-H376 PolarHBondContact O-N 3.47Å; L372-H376 PolarHBondContact O-ND1 3.28Å; C373-H376 PolarHBondContact O-N 2.86Å; Y374-H376 VanDerWaalsContact C-N 3.26Å; Y374-H376 PolarHBondContact O-N 3.41Å; H376-F378 PolarHBondContact O-N 3Å; H376-F378 VanDerWaalsContact O-N 3.16Å; H376-N379 PolarHBondContact O-N 3.14Å; H376-N379 VanDerWaalsContact O-N 3.09Å; H376-T471 PolarHBondContact CD2-OG1 3.44Å; H376-T471 PolarHBondContact NE2-N 2.68Å; H376-A472 PolarHBondContact NE2-N 3.05Å
377	T	98.3	Very high	98.5	Very high	80 Å²	80	19.7 Å²	19.7	49%	0.491	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18	177.7	66.8	0	0	0	0	113.8	Y374 G375	Y374-T377 HydrophobicContact CD2-CG2 4.46Å; Y374-T377 WeakPolarHBondContact O-CB 3.46Å; Y374-T377 WeakPolarHBondContact O-CG2 3.42Å; Y374-T377 PolarHBondContact O-N 3.04Å; Y374-T377 PolarHBondContact O-OG1 2.75Å; G375-T377 PolarHBondContact O-N 3.17Å
378	F	98.2	Very high	98.5	Very high	42 Å²	42	20 Å²	20	18%	0.184	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-87.7	1.3	176.5	-57.4	-67.8	0	0	0	114.1	H262 P273 L275 V326 L328 Y374 G375 H376	H262-F378 AromaticContact CE1-CE1 3.55Å; P273-F378 HydrophobicContact CG-CB 4.31Å; L275-F378 HydrophobicContact CD1-CD2 4.33Å; V326-F378 HydrophobicContact CG1-CD2 3.96Å; V326-F378 HydrophobicContact CG1-CE2 3.97Å; V326-F378 HydrophobicContact CG1-CG 4.31Å; V326-F378 HydrophobicContact CG1-CZ 4.33Å; V326-F378 HydrophobicContact CG2-CG 4.41Å; L328-F378 HydrophobicContact CD1-CE2 4.28Å; L328-F378 HydrophobicContact CD2-CE2 4.01Å; Y374-F378 HydrophobicContact CD1-CE2 4.06Å; Y374-F378 HydrophobicContact CD1-CZ 4.47Å; Y374-F378 AromaticContact CE1-CE2 3.67Å; Y374-F378 HydrophobicContact CE1-CE2 3.67Å; Y374-F378 AromaticContact CE1-CZ 3.63Å; Y374-F378 HydrophobicContact CE1-CZ 3.63Å; Y374-F378 AromaticContact CZ-CZ 3.71Å; G375-F378 PolarHBondContact O-N 2.75Å; H376-F378 PolarHBondContact O-N 3Å; H376-F378 VanDerWaalsContact O-N 3.16Å
379	N	97.7	Very high	98.4	Very high	130 Å²	130	20.9 Å²	20.9	70%	0.695	11%	0.108	S	C	*	.			trans	44.8	52.8	-175.9	-58.9	-72.6	0	0	0	113.9	H376	H376-N379 PolarHBondContact O-N 3.14Å; H376-N379 VanDerWaalsContact O-N 3.09Å
380	P	97.6	Very high	98.3	Very high	22 Å²	22	21.6 Å²	21.6	14%	0.143	11%	0.112	C	C	.	.			trans	-72.5	150.6	-168.9	31.2	-37.3	0	0	0	114	P273 L275 A382 I383	P273-P380 HydrophobicContact CG-CB 4.4Å; P273-P380 CarbonylContact O-C 3.46Å; P273-P380 WeakPolarHBondContact O-CA 3.21Å; P273-P380 WeakPolarHBondContact O-CB 3.32Å; L275-P380 HydrophobicContact CB-CB 3.65Å; L275-P380 HydrophobicContact CB-CG 3.93Å; L275-P380 HydrophobicContact CD2-CG 4.21Å; P380-A382 VanDerWaalsContact C-N 3.28Å; P380-A382 PolarHBondContact O-N 2.62Å; P380-I383 HydrophobicContact CB-CG1 4.49Å; P380-I383 HydrophobicContact CG-CD1 4Å; P380-I383 HydrophobicContact CG-CG1 3.65Å
381	R	95.5	Very high	98.1	Very high	63 Å²	63	24.3 Å²	24.3	24%	0.238	14%	0.14	C	C	.	.	S	Bend	trans	-67.6	-28.3	175.2	76	-174.8	-69.9	-159.4	2.1	113	P272 P273 L512 S515	P272-R381 HydrophobicContact CB-CB 4.22Å; P273-R381 PolarHBondContact O-N 2.89Å; R381-L512 PolarHBondContact NH1-O 3.45Å; R381-S515 PolarHBondContact NH2-O 2.73Å
382	A	97.9	Very high	98.1	Very high	1 Å²	1	26 Å²	26	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	152.3	175	0	0	0	0	0	110	L274 L275 P380 W410 L411 H474	L274-A382 HydrophobicContact CD1-CB 4.16Å; L275-A382 PolarHBondContact N-O 3.33Å; P380-A382 VanDerWaalsContact C-N 3.28Å; P380-A382 PolarHBondContact O-N 2.62Å; A382-W410 HydrophobicContact CB-CH2 4.49Å; A382-W410 HydrophobicContact CB-CZ3 4.19Å; A382-L411 HydrophobicContact CB-CD1 4.47Å; A382-H474 CarbonylContact C-O 3.56Å; A382-H474 VanDerWaalsContact CA-O 3.29Å; A382-H474 WeakPolarHBondContact CA-O 3.39Å; A382-H474 HydrophobicContact CB-CB 4.1Å
383	I	98.9	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	175.1	-53.1	-176.1	0	0	0	109.1	L275 V277 L372 P380 A472 H474 W475 A476	L275-I383 HydrophobicContact CB-CG1 4.24Å; L275-I383 HydrophobicContact CD2-CB 4.47Å; L275-I383 HydrophobicContact CD2-CD1 4.06Å; L275-I383 HydrophobicContact CD2-CG1 3.97Å; L275-I383 HydrophobicContact CD2-CG2 3.93Å; L275-I383 HydrophobicContact CG-CG2 4.4Å; L275-I383 CarbonylContact O-C 3.41Å; L275-I383 WeakPolarHBondContact O-CA 3.46Å; V277-I383 HydrophobicContact CG2-CG2 4.49Å; L372-I383 HydrophobicContact CD2-CG2 3.86Å; P380-I383 HydrophobicContact CB-CG1 4.49Å; P380-I383 HydrophobicContact CG-CD1 4Å; P380-I383 HydrophobicContact CG-CG1 3.65Å; I383-A472 HydrophobicContact CD1-CB 3.64Å; I383-A472 HydrophobicContact CG1-CB 4.08Å; I383-H474 PolarHBondContact N-O 3.36Å; I383-W475 HydrophobicContact CB-CB 4.4Å; I383-W475 CarbonylContact O-C 3.54Å; I383-W475 VanDerWaalsContact O-CA 3.24Å; I383-W475 WeakPolarHBondContact O-CA 3.41Å; I383-A476 PolarHBondContact O-N 3.19Å
384	V	98.9	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.9	171.1	-177.6	0	0	0	0	109	L274 L275 L276 V277 V386 L411 A476 L478 L505 F508	L274-V384 HydrophobicContact CD1-CG2 4.4Å; L275-V384 PolarHBondContact O-N 3.18Å; L276-V384 WeakPolarHBondContact CA-O 3.32Å; L276-V384 HydrophobicContact CD2-CB 3.89Å; V277-V384 PolarHBondContact N-O 3.4Å; V384-V386 HydrophobicContact CG1-CG2 4.47Å; V384-L411 HydrophobicContact CG2-CD1 4.17Å; V384-L411 HydrophobicContact CG2-CD2 4.46Å; V384-A476 CarbonylContact C-O 3.55Å; V384-A476 WeakPolarHBondContact CA-O 3.49Å; V384-A476 HydrophobicContact CG2-CB 4.44Å; V384-L478 HydrophobicContact CG1-CD1 3.82Å; V384-L478 HydrophobicContact CG1-CD2 4.31Å; V384-L505 HydrophobicContact CG1-CD2 4.22Å; V384-F508 HydrophobicContact CG2-CE1 3.76Å; V384-F508 HydrophobicContact CG2-CZ 4.07Å
385	N	98.9	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.7	175	83.5	-90.6	0	0	0	112.4	V277 L372 W475 A476 H477 L478	V277-N385 HydrophobicContact CB-CB 3.84Å; V277-N385 CarbonylContact O-C 3.5Å; V277-N385 WeakPolarHBondContact O-CA 3.43Å; V277-N385 WeakPolarHBondContact O-CB 3.32Å; L372-N385 HydrophobicContact CD2-CB 4.16Å; N385-W475 PolarHBondContact OD1-NE1 3.07Å; N385-A476 PolarHBondContact N-O 2.72Å; N385-H477 PolarHBondContact ND2-ND1 2.94Å; N385-H477 CarbonylContact O-C 3.55Å; N385-H477 WeakPolarHBondContact O-CA 3.44Å; N385-H477 PolarHBondContact O-ND1 3.17Å; N385-H477 WeakPolarHBondContact OD1-CB 3.44Å; N385-L478 PolarHBondContact O-N 3.42Å
386	V	98.9	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.2	-173	-165.1	0	0	0	0	109.2	V277 G278 K279 G305 V309 V384 L478 I480 L505	V277-V386 PolarHBondContact O-N 2.69Å; G278-V386 WeakPolarHBondContact CA-O 3.1Å; K279-V386 PolarHBondContact N-O 3.42Å; G305-V386 WeakPolarHBondContact CA-O 3.49Å; V309-V386 HydrophobicContact CG2-CB 4.07Å; V309-V386 HydrophobicContact CG2-CG2 3.72Å; V384-V386 HydrophobicContact CG1-CG2 4.47Å; V386-L478 WeakPolarHBondContact CA-O 3.39Å; V386-L478 HydrophobicContact CB-CB 4.45Å; V386-L478 HydrophobicContact CG1-CB 4.1Å; V386-L478 HydrophobicContact CG2-CB 4.31Å; V386-L478 HydrophobicContact CG2-CD2 4.15Å; V386-I480 HydrophobicContact CG1-CD1 3.98Å; V386-I480 HydrophobicContact CG1-CG1 4.1Å; V386-I480 HydrophobicContact CG1-CG2 3.6Å; V386-L505 HydrophobicContact CG2-CD1 4.08Å; V386-L505 HydrophobicContact CG2-CD2 4.14Å
387	A	98.9	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	141.6	-177.9	0	0	0	0	0	112.7	K279 L368 L389 L478 D479 I480	K279-A387 HydrophobicContact CB-CB 3.48Å; K279-A387 VanDerWaalsContact CB-CB 3.48Å; K279-A387 HydrophobicContact CD-CB 4.04Å; K279-A387 HydrophobicContact CG-CB 4.35Å; L368-A387 HydrophobicContact CD1-CB 3.82Å; A387-L389 HydrophobicContact CB-CB 3.91Å; A387-L389 HydrophobicContact CB-CD1 4.19Å; A387-L389 PolarHBondContact O-N 2.86Å; A387-L478 PolarHBondContact N-O 3Å; A387-D479 CarbonylContact O-C 3.53Å; A387-D479 WeakPolarHBondContact O-CA 3.49Å; A387-I480 VanDerWaalsContact C-CG1 3.41Å; A387-I480 WeakPolarHBondContact O-CG1 3.45Å; A387-I480 PolarHBondContact O-N 3.06Å
388	T	98.4	Very high	98	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.043	22%	0.215	C	C	.	.			trans	-72.4	79.8	157	39.8	0	0	0	0	107.4	K279 D302 I480 M484	K279-T388 PolarHBondContact NZ-O 3.03Å; D302-T388 WeakPolarHBondContact CA-OG1 3.29Å; D302-T388 PolarHBondContact O-OG1 3.05Å; D302-T388 VanDerWaalsContact O-OG1 3.06Å; D302-T388 VanDerWaalsContact OD1-CB 3.28Å; D302-T388 WeakPolarHBondContact OD1-CB 3.45Å; D302-T388 VanDerWaalsContact OD1-O 3.05Å; D302-T388 PolarHBondContact OD1-OG1 3.48Å; T388-I480 HydrophobicContact CG2-CD1 4.07Å; T388-I480 HydrophobicContact CG2-CG1 3.9Å; T388-M484 HydrophobicContact CG2-CB 4.09Å; T388-M484 HydrophobicContact CG2-CG 3.88Å; T388-M484 HydrophobicContact CG2-SD 3.84Å
389	L	97.8	Very high	98	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.094	21%	0.214	C	C	.	.			trans	-99.2	-37.6	-162.2	-161.7	64.5	0	0	0	113.8	K279 R365 L368 A387 A462 L466 H477 D479	K279-L389 HydrophobicContact CD-CD1 4.45Å; R365-L389 HydrophobicContact CB-CD1 4.35Å; L368-L389 HydrophobicContact CD1-CD1 4.24Å; A387-L389 HydrophobicContact CB-CB 3.91Å; A387-L389 HydrophobicContact CB-CD1 4.19Å; A387-L389 PolarHBondContact O-N 2.86Å; L389-A462 HydrophobicContact CD2-CB 3.8Å; L389-A462 HydrophobicContact CG-CB 4.3Å; L389-L466 HydrophobicContact CD2-CD1 3.7Å; L389-L466 HydrophobicContact CD2-CG 4.44Å; L389-H477 VanDerWaalsContact CD2-NE2 3.28Å; L389-H477 WeakPolarHBondContact CD2-NE2 3.45Å; L389-D479 PolarHBondContact N-OD1 3.12Å
390	T	96.5	Very high	98	Very high	14 Å²	14	30 Å²	30	9%	0.086	20%	0.201	C	C	.	.			trans	-144	134.8	-177.4	69	0	0	0	0	114.3	A392 M393 A459 A462 D479 A481	T390-A392 PolarHBondContact O-N 3.34Å; T390-M393 WeakPolarHBondContact O-CB 3.38Å; T390-M393 PolarHBondContact O-N 3.08Å; T390-M393 PolarHBondContact OG1-N 3.25Å; T390-A459 WeakPolarHBondContact OG1-CB 3.43Å; T390-A462 HydrophobicContact CG2-CB 3.6Å; T390-D479 WeakPolarHBondContact CB-OD2 3.25Å; T390-D479 PolarHBondContact N-OD1 3.14Å; T390-D479 PolarHBondContact N-OD2 3.16Å; T390-D479 PolarHBondContact OG1-OD2 3.17Å; T390-A481 WeakPolarHBondContact O-CB 3.26Å
391	G	95.8	Very high	98.1	Very high	57 Å²	57	29.4 Å²	29.4	59%	0.588	20%	0.199	S	C	*	.	H	α-helix	trans	-60.7	-19.8	164.4	0	0	0	0	0	113	M393 D394 V395	G391-M393 PolarHBondContact O-N 2.9Å; G391-D394 PolarHBondContact O-N 2.91Å; G391-V395 WeakPolarHBondContact O-CG2 3.5Å; G391-V395 PolarHBondContact O-N 2.82Å; G391-V395 VanDerWaalsContact O-N 3.09Å
392	A	97.6	Very high	98.2	Very high	35 Å²	35	26.4 Å²	26.4	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-63.7	-26.2	171.1	0	0	0	0	0	113.2	T390 A396 A459	T390-A392 PolarHBondContact O-N 3.34Å; A392-A396 VanDerWaalsContact O-CB 3.27Å; A392-A396 WeakPolarHBondContact O-CB 3.22Å; A392-A396 PolarHBondContact O-N 2.94Å; A392-A396 VanDerWaalsContact O-N 3.12Å; A392-A459 HydrophobicContact CB-CB 4.26Å
393	M	98.6	Very high	98.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-75.3	-39.2	174.4	-172	55	67.7	0	0	112.3	T390 G391 V395 A396 L397 F405 M429 A459 D479	T390-M393 WeakPolarHBondContact O-CB 3.38Å; T390-M393 PolarHBondContact O-N 3.08Å; T390-M393 PolarHBondContact OG1-N 3.25Å; G391-M393 PolarHBondContact O-N 2.9Å; M393-V395 VanDerWaalsContact C-N 3.35Å; M393-A396 PolarHBondContact O-N 3.31Å; M393-A396 VanDerWaalsContact O-N 3.14Å; M393-L397 PolarHBondContact O-N 3.42Å; M393-L397 HydrophobicContact SD-CD1 3.71Å; M393-L397 HydrophobicContact SD-CG 4.08Å; M393-F405 HydrophobicContact CE-CE2 3.59Å; M393-F405 HydrophobicContact CE-CZ 3.92Å; M393-M429 HydrophobicContact CE-CE 4.08Å; M393-M429 HydrophobicContact CE-CG 4Å; M393-M429 HydrophobicContact SD-CE 4.35Å; M393-A459 HydrophobicContact CE-CB 3.73Å; M393-D479 HydrophobicContact CB-CB 4.16Å; M393-D479 WeakPolarHBondContact CB-OD2 3.23Å; M393-D479 HydrophobicContact CE-CB 3.84Å; M393-D479 HydrophobicContact CG-CB 3.94Å
394	D	97.9	Very high	98.3	Very high	87 Å²	87	26.4 Å²	26.4	47%	0.465	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-44.1	172.2	-177.5	59.4	0	0	0	111.2	G391 A396 G398 G482	G391-D394 PolarHBondContact O-N 2.91Å; D394-A396 VanDerWaalsContact C-N 3.26Å; D394-A396 PolarHBondContact O-N 3.3Å; D394-G398 WeakPolarHBondContact O-CA 3.35Å; D394-G398 PolarHBondContact O-N 2.83Å; D394-G482 WeakPolarHBondContact OD1-CA 3.2Å
395	V	98.3	Very high	98.3	Very high	131 Å²	131	26.4 Å²	26.4	79%	0.794	19%	0.187	S	C	*	.	H	α-helix	trans	-64.5	-28.3	174	175.3	0	0	0	0	113	G391 M393	G391-V395 WeakPolarHBondContact O-CG2 3.5Å; G391-V395 PolarHBondContact O-N 2.82Å; G391-V395 VanDerWaalsContact O-N 3.09Å; M393-V395 VanDerWaalsContact C-N 3.35Å
396	A	98.4	Very high	98.3	Very high	55 Å²	55	26.7 Å²	26.7	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-85.3	-41.6	-176.7	0	0	0	0	0	114.4	A392 M393 D394 M429	A392-A396 VanDerWaalsContact O-CB 3.27Å; A392-A396 WeakPolarHBondContact O-CB 3.22Å; A392-A396 PolarHBondContact O-N 2.94Å; A392-A396 VanDerWaalsContact O-N 3.12Å; M393-A396 PolarHBondContact O-N 3.31Å; M393-A396 VanDerWaalsContact O-N 3.14Å; D394-A396 VanDerWaalsContact C-N 3.26Å; D394-A396 PolarHBondContact O-N 3.3Å; A396-M429 HydrophobicContact CB-CE 4.3Å
397	L	98.6	Very high	98.3	Very high	42 Å²	42	30 Å²	30	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-130.1	-13.1	-173.3	-61.1	179.7	0	0	0	113.9	M393 A400 W427 M429	M393-L397 PolarHBondContact O-N 3.42Å; M393-L397 HydrophobicContact SD-CD1 3.71Å; M393-L397 HydrophobicContact SD-CG 4.08Å; L397-A400 WeakPolarHBondContact O-CB 3.27Å; L397-A400 PolarHBondContact O-N 2.67Å; L397-W427 HydrophobicContact CD1-CB 3.93Å; L397-W427 HydrophobicContact CD1-CG 4.45Å; L397-W427 HydrophobicContact CD2-CG 4.32Å; L397-M429 HydrophobicContact CD1-SD 4.14Å
398	G	98.4	Very high	98.3	Very high	20 Å²	20	30.5 Å²	30.5	21%	0.206	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-139.6	-170.2	0	0	0	0	0	112.3	D394 A400 G482	D394-G398 WeakPolarHBondContact O-CA 3.35Å; D394-G398 PolarHBondContact O-N 2.83Å; G398-A400 VanDerWaalsContact C-N 3.31Å; G398-A400 PolarHBondContact O-N 2.86Å; G398-G482 CarbonylContact C-O 3.46Å; G398-G482 CarbonylContact O-C 3.56Å; G398-G482 VanDerWaalsContact O-CA 3.32Å; G398-G482 WeakPolarHBondContact O-CA 3.43Å
399	S	98.4	Very high	98.3	Very high	23 Å²	23	34.8 Å²	34.8	16%	0.161	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6.7	177.6	57.2	0	0	0	0	114.2	G482 E489 R500	S399-G482 VanDerWaalsContact CA-O 3.24Å; S399-G482 WeakPolarHBondContact CA-O 3.39Å; S399-G482 WeakPolarHBondContact CB-O 3.27Å; S399-G482 PolarHBondContact N-O 3.11Å; S399-E489 WeakPolarHBondContact OG-CG 3.3Å; S399-E489 PolarHBondContact OG-OE1 2.84Å; S399-R500 PolarHBondContact O-NH1 2.77Å
400	A	98.2	Very high	98.3	Very high	52 Å²	52	37.7 Å²	37.7	43%	0.43	24%	0.243	S	C	.	.	S	Bend	trans	-69.4	-40.1	-173.8	0	0	0	0	0	113.6	L397 G398 R425	L397-A400 WeakPolarHBondContact O-CB 3.27Å; L397-A400 PolarHBondContact O-N 2.67Å; G398-A400 VanDerWaalsContact C-N 3.31Å; G398-A400 PolarHBondContact O-N 2.86Å; A400-R425 PolarHBondContact O-NE 2.85Å
401	A	98.8	Very high	98.3	Very high	10 Å²	10	37 Å²	37	8%	0.083	24%	0.239	C	C	.	.			trans	-158.5	156.5	-179	0	0	0	0	0	111.6	R425 W427	A401-R425 CarbonylContact C-O 3.5Å; A401-R425 VanDerWaalsContact CA-O 3.3Å; A401-R425 WeakPolarHBondContact CA-O 3.39Å; A401-R425 HydrophobicContact CB-CB 3.86Å; A401-W427 HydrophobicContact CB-CB 3.97Å
402	T	98.9	Very high	98.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.3	168.1	-64.3	0	0	0	0	110.5	R425 V426 W427 L478 I480 P501	T402-R425 PolarHBondContact N-O 3.44Å; T402-V426 CarbonylContact O-C 3.58Å; T402-V426 WeakPolarHBondContact O-CA 3.41Å; T402-W427 PolarHBondContact O-N 3.38Å; T402-L478 HydrophobicContact CG2-CB 3.7Å; T402-L478 HydrophobicContact CG2-CD2 4.19Å; T402-L478 HydrophobicContact CG2-CG 3.71Å; T402-I480 HydrophobicContact CG2-CG2 3.59Å; T402-P501 HydrophobicContact CG2-CG 4.4Å
403	G	98.9	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.5	175.8	0	0	0	0	0	112.2	L478 D479	G403-L478 WeakPolarHBondContact O-CA 3.27Å; G403-D479 PolarHBondContact N-O 2.92Å; G403-D479 PolarHBondContact O-N 2.85Å
404	V	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.9	-176.6	178.6	0	0	0	0	111.3	T406 W412 L415 V426 W427 R428 M429 A476 H477 L478	V404-T406 HydrophobicContact CG1-CG2 4.37Å; V404-W412 HydrophobicContact CB-CE3 4.11Å; V404-W412 HydrophobicContact CB-CZ3 4.02Å; V404-W412 HydrophobicContact CG1-CE3 4.05Å; V404-W412 HydrophobicContact CG1-CZ3 4.45Å; V404-W412 HydrophobicContact CG2-CZ3 4.34Å; V404-L415 HydrophobicContact CG1-CD1 4.13Å; V404-V426 HydrophobicContact CG2-CB 3.67Å; V404-V426 HydrophobicContact CG2-CG1 3.91Å; V404-V426 HydrophobicContact CG2-CG2 4.44Å; V404-W427 PolarHBondContact N-O 2.9Å; V404-R428 WeakPolarHBondContact O-CA 3.47Å; V404-M429 PolarHBondContact O-N 2.95Å; V404-A476 HydrophobicContact CG1-CB 4.31Å; V404-H477 WeakPolarHBondContact CA-O 3.46Å; V404-L478 HydrophobicContact CG1-CD1 4.22Å; V404-L478 HydrophobicContact CG2-CD1 3.86Å; V404-L478 HydrophobicContact CG2-CG 3.96Å
405	F	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.2	167	-58.5	-93.1	0	0	0	108.8	M393 M429 L431 A459 C460 A463 A476 H477	M393-F405 HydrophobicContact CE-CE2 3.59Å; M393-F405 HydrophobicContact CE-CZ 3.92Å; F405-M429 HydrophobicContact CD1-CB 3.6Å; F405-M429 HydrophobicContact CD2-CB 4.11Å; F405-M429 HydrophobicContact CE1-CB 3.29Å; F405-M429 HydrophobicContact CE1-CG 4.44Å; F405-M429 HydrophobicContact CE2-CB 3.85Å; F405-M429 HydrophobicContact CE2-CG 4.35Å; F405-M429 HydrophobicContact CG-CB 4Å; F405-M429 HydrophobicContact CZ-CB 3.43Å; F405-M429 VanDerWaalsContact CZ-CB 3.43Å; F405-M429 HydrophobicContact CZ-CG 4.14Å; F405-L431 HydrophobicContact CB-CD1 4.4Å; F405-A459 HydrophobicContact CE2-CB 4.36Å; F405-A459 HydrophobicContact CZ-CB 3.93Å; F405-A459 WeakPolarHBondContact CZ-O 3.41Å; F405-C460 HydrophobicContact CE1-CB 3.97Å; F405-C460 HydrophobicContact CZ-CB 4.47Å; F405-A463 HydrophobicContact CB-CB 3.79Å; F405-A463 HydrophobicContact CD1-CB 3.49Å; F405-A463 VanDerWaalsContact CD1-CB 3.49Å; F405-A463 HydrophobicContact CD2-CB 3.58Å; F405-A463 HydrophobicContact CE1-CB 3.86Å; F405-A463 HydrophobicContact CE2-CB 3.94Å; F405-A463 HydrophobicContact CG-CB 3.33Å; F405-A463 HydrophobicContact CZ-CB 4.07Å; F405-A476 CarbonylContact O-C 3.56Å; F405-A476 VanDerWaalsContact O-CA 3.25Å; F405-A476 WeakPolarHBondContact O-CA 3.48Å; F405-H477 HydrophobicContact CB-CB 4.45Å; F405-H477 AromaticContact CD2-CD2 3.84Å; F405-H477 PolarHBondContact N-O 3.46Å; F405-H477 PolarHBondContact O-N 2.93Å
406	T	98.9	Very high	98.5	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	148.6	177.8	-180	0	0	0	0	112.9	V404 S408 W412 W475	V404-T406 HydrophobicContact CG1-CG2 4.37Å; T406-S408 VanDerWaalsContact C-N 3.35Å; T406-S408 WeakPolarHBondContact CG2-O 3.5Å; T406-S408 PolarHBondContact OG1-N 2.8Å; T406-S408 VanDerWaalsContact OG1-N 3.09Å; T406-S408 PolarHBondContact OG1-O 3.32Å; T406-W412 HydrophobicContact CG2-CB 3.76Å; T406-W475 VanDerWaalsContact CA-O 3.26Å; T406-W475 WeakPolarHBondContact CA-O 3.39Å; T406-W475 VanDerWaalsContact CB-O 3.24Å; T406-W475 WeakPolarHBondContact CB-O 3.37Å; T406-W475 PolarHBondContact OG1-O 3.01Å
407	N	98.6	Very high	98.5	Very high	70 Å²	70	34.3 Å²	34.3	37%	0.374	18%	0.183	S	C	.	.	S	Bend	trans	-87.2	2.2	171.7	67.7	-7.5	0	0	0	113.8	L431 A472 P473 W475	N407-L431 HydrophobicContact CB-CD2 4.27Å; N407-A472 PolarHBondContact ND2-O 3.37Å; N407-P473 PolarHBondContact OD1-O 2.94Å; N407-W475 PolarHBondContact N-O 3.39Å; N407-W475 PolarHBondContact OD1-N 3.32Å; N407-W475 PolarHBondContact OD1-O 2.97Å; N407-W475 VanDerWaalsContact OD1-O 3.11Å
408	S	98.6	Very high	98.5	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	18%	0.175	C	C	.	.			trans	-132.1	120.8	-175.9	173.1	0	0	0	0	111.6	T406 L411 W412 H474	T406-S408 VanDerWaalsContact C-N 3.35Å; T406-S408 WeakPolarHBondContact CG2-O 3.5Å; T406-S408 PolarHBondContact OG1-N 2.8Å; T406-S408 VanDerWaalsContact OG1-N 3.09Å; T406-S408 PolarHBondContact OG1-O 3.32Å; S408-L411 PolarHBondContact O-N 2.88Å; S408-L411 PolarHBondContact OG-N 3.45Å; S408-W412 PolarHBondContact O-N 3.14Å; S408-W412 VanDerWaalsContact O-N 3.08Å; S408-H474 PolarHBondContact OG-ND1 2.82Å
409	D	98.4	Very high	98.5	Very high	97 Å²	97	31.8 Å²	31.8	52%	0.519	17%	0.165	S	C	.	.	H	α-helix	trans	-65	-39.8	175.9	-63.9	-47.3	0	0	0	111.5	L411 W412 E413 R428	D409-L411 VanDerWaalsContact C-N 3.32Å; D409-L411 PolarHBondContact O-N 3Å; D409-W412 WeakPolarHBondContact O-CB 3.4Å; D409-W412 PolarHBondContact O-N 3.23Å; D409-E413 WeakPolarHBondContact O-CG 3.48Å; D409-E413 PolarHBondContact O-N 3.18Å; D409-R428 IonicContact OD1-CZ 3.67Å; D409-R428 IonicContact OD1-NH1 3.61Å; D409-R428 PolarHBondContact OD1-NH1 3.04Å; D409-R428 IonicContact OD1-NH2 2.67Å; D409-R428 PolarHBondContact OD1-NH2 2.61Å
410	W	97.7	Very high	98.5	Very high	79 Å²	79	31.9 Å²	31.9	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-55.2	-46.1	171.7	167.4	81.7	0	0	0	111.9	A382 W412 E413 Q414 H474 L512	A382-W410 HydrophobicContact CB-CH2 4.49Å; A382-W410 HydrophobicContact CB-CZ3 4.19Å; W410-W412 VanDerWaalsContact C-N 3.35Å; W410-W412 PolarHBondContact O-N 2.98Å; W410-E413 PolarHBondContact O-N 3.44Å; W410-Q414 HydrophobicContact CD2-CG 4.27Å; W410-Q414 HydrophobicContact CZ2-CG 4.09Å; W410-Q414 VanDerWaalsContact O-CG 3.31Å; W410-Q414 WeakPolarHBondContact O-CG 3.45Å; W410-Q414 PolarHBondContact O-N 2.84Å; W410-H474 HydrophobicContact CE3-CB 4.41Å; W410-H474 AromaticContact CE3-CD2 3.75Å; W410-H474 AromaticContact CE3-CG 3.95Å; W410-H474 HydrophobicContact CZ3-CB 4.13Å; W410-H474 AromaticContact CZ3-CD2 3.69Å; W410-H474 AromaticContact CZ3-CG 4Å; W410-L512 HydrophobicContact CH2-CD1 4.48Å; W410-L512 HydrophobicContact CH2-CD2 3.66Å; W410-L512 HydrophobicContact CZ2-CD2 3.43Å; W410-L512 VanDerWaalsContact CZ2-CD2 3.43Å
411	L	97.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-35	-178.9	-174	54.6	0	0	0	111.9	A382 V384 S408 D409 L415 H474 W475 A476 F508	A382-L411 HydrophobicContact CB-CD1 4.47Å; V384-L411 HydrophobicContact CG2-CD1 4.17Å; V384-L411 HydrophobicContact CG2-CD2 4.46Å; S408-L411 PolarHBondContact O-N 2.88Å; S408-L411 PolarHBondContact OG-N 3.45Å; D409-L411 VanDerWaalsContact C-N 3.32Å; D409-L411 PolarHBondContact O-N 3Å; L411-L415 HydrophobicContact CD1-CD1 4.38Å; L411-L415 HydrophobicContact CG-CD1 4.29Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.18Å; L411-L415 PolarHBondContact O-N 3.31Å; L411-H474 HydrophobicContact CD2-CB 4.4Å; L411-W475 VanDerWaalsContact CD2-C 3.46Å; L411-A476 HydrophobicContact CD2-CB 3.66Å; L411-A476 HydrophobicContact CG-CB 3.98Å; L411-F508 HydrophobicContact CD1-CE2 3.69Å; L411-F508 HydrophobicContact CD1-CZ 3.43Å; L411-F508 VanDerWaalsContact CD1-CZ 3.43Å
412	W	98.7	Very high	98.5	Very high	28 Å²	28	31.5 Å²	31.5	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-49.4	168.7	162.9	-106.1	0	0	0	111.8	V404 T406 S408 D409 W410 Q414 L415 Q416 V426 R428	V404-W412 HydrophobicContact CB-CE3 4.11Å; V404-W412 HydrophobicContact CB-CZ3 4.02Å; V404-W412 HydrophobicContact CG1-CE3 4.05Å; V404-W412 HydrophobicContact CG1-CZ3 4.45Å; V404-W412 HydrophobicContact CG2-CZ3 4.34Å; T406-W412 HydrophobicContact CG2-CB 3.76Å; S408-W412 PolarHBondContact O-N 3.14Å; S408-W412 VanDerWaalsContact O-N 3.08Å; D409-W412 WeakPolarHBondContact O-CB 3.4Å; D409-W412 PolarHBondContact O-N 3.23Å; W410-W412 VanDerWaalsContact C-N 3.35Å; W410-W412 PolarHBondContact O-N 2.98Å; W412-Q414 PolarHBondContact O-N 2.83Å; W412-L415 PolarHBondContact O-N 3.35Å; W412-Q416 HydrophobicContact CH2-CB 4.35Å; W412-Q416 HydrophobicContact CH2-CG 4.37Å; W412-Q416 HydrophobicContact CZ2-CB 4.06Å; W412-Q416 VanDerWaalsContact CZ2-CD 3.47Å; W412-Q416 HydrophobicContact CZ2-CG 4Å; W412-Q416 WeakPolarHBondContact O-CB 3.47Å; W412-Q416 PolarHBondContact O-N 2.84Å; W412-V426 HydrophobicContact CH2-CG2 3.94Å; W412-V426 HydrophobicContact CZ3-CB 4.19Å; W412-V426 HydrophobicContact CZ3-CG2 3.67Å; W412-R428 HydrophobicContact CD2-CB 3.88Å; W412-R428 HydrophobicContact CD2-CG 3.96Å; W412-R428 HydrophobicContact CE3-CB 3.74Å; W412-R428 HydrophobicContact CE3-CG 3.91Å; W412-R428 HydrophobicContact CG-CG 4.4Å; W412-R428 HydrophobicContact CH2-CB 3.82Å; W412-R428 VanDerWaalsContact CH2-N 3.32Å; W412-R428 HydrophobicContact CZ2-CB 3.92Å; W412-R428 HydrophobicContact CZ3-CB 3.72Å; W412-R428 HydrophobicContact CZ3-CG 4.37Å
413	E	98.3	Very high	98.5	Very high	97 Å²	97	31.7 Å²	31.7	45%	0.453	16%	0.158	S	C	.	.	H	α-helix	trans	-61.9	-44.5	-178.5	-73.9	173.5	-175.3	0	0	112.2	D409 W410 L415 Q416 Q417	D409-E413 WeakPolarHBondContact O-CG 3.48Å; D409-E413 PolarHBondContact O-N 3.18Å; W410-E413 PolarHBondContact O-N 3.44Å; E413-L415 PolarHBondContact O-N 2.85Å; E413-Q416 PolarHBondContact O-N 3.16Å; E413-Q417 WeakPolarHBondContact O-CB 3.46Å; E413-Q417 WeakPolarHBondContact O-CG 3.15Å; E413-Q417 PolarHBondContact O-N 3.08Å
414	Q	98.2	Very high	98.5	Very high	27 Å²	27	31.8 Å²	31.8	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-43.6	177.3	-67.8	-61.6	-68.4	0	0	112	W410 W412 A418 F508 L512	W410-Q414 HydrophobicContact CD2-CG 4.27Å; W410-Q414 HydrophobicContact CZ2-CG 4.09Å; W410-Q414 VanDerWaalsContact O-CG 3.31Å; W410-Q414 WeakPolarHBondContact O-CG 3.45Å; W410-Q414 PolarHBondContact O-N 2.84Å; W412-Q414 PolarHBondContact O-N 2.83Å; Q414-A418 WeakPolarHBondContact O-CB 3.44Å; Q414-A418 PolarHBondContact O-N 3.02Å; Q414-A418 VanDerWaalsContact O-N 3.11Å; Q414-F508 HydrophobicContact CB-CD2 3.81Å; Q414-F508 HydrophobicContact CB-CE2 3.7Å; Q414-L512 HydrophobicContact CG-CD2 4.38Å
415	L	98.7	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-38.8	175.2	-72	167.8	0	0	0	112.1	V404 L411 W412 E413 S419 V426 A476 L478 F508	V404-L415 HydrophobicContact CG1-CD1 4.13Å; L411-L415 HydrophobicContact CD1-CD1 4.38Å; L411-L415 HydrophobicContact CG-CD1 4.29Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.18Å; L411-L415 PolarHBondContact O-N 3.31Å; W412-L415 PolarHBondContact O-N 3.35Å; E413-L415 PolarHBondContact O-N 2.85Å; L415-S419 WeakPolarHBondContact O-CB 3.5Å; L415-S419 PolarHBondContact O-N 3.22Å; L415-V426 HydrophobicContact CB-CG2 4.49Å; L415-A476 HydrophobicContact CD1-CB 3.85Å; L415-L478 HydrophobicContact CD1-CD1 4.13Å; L415-F508 HydrophobicContact CD2-CB 4.19Å; L415-F508 HydrophobicContact CD2-CD1 3.93Å; L415-F508 HydrophobicContact CD2-CD2 3.99Å; L415-F508 HydrophobicContact CD2-CE1 4.29Å; L415-F508 HydrophobicContact CD2-CE2 4.35Å; L415-F508 HydrophobicContact CD2-CG 3.76Å; L415-F508 HydrophobicContact CD2-CZ 4.48Å; L415-F508 HydrophobicContact CG-CD2 4.24Å; L415-F508 HydrophobicContact CG-CE2 4.34Å
416	Q	98.5	Very high	98.5	Very high	50 Å²	50	34.3 Å²	34.3	23%	0.234	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-48	177.1	-171.3	177	38	0	0	111.3	W412 E413 A418 S419 V420 V426	W412-Q416 HydrophobicContact CH2-CB 4.35Å; W412-Q416 HydrophobicContact CH2-CG 4.37Å; W412-Q416 HydrophobicContact CZ2-CB 4.06Å; W412-Q416 VanDerWaalsContact CZ2-CD 3.47Å; W412-Q416 HydrophobicContact CZ2-CG 4Å; W412-Q416 WeakPolarHBondContact O-CB 3.47Å; W412-Q416 PolarHBondContact O-N 2.84Å; E413-Q416 PolarHBondContact O-N 3.16Å; Q416-A418 PolarHBondContact O-N 3.16Å; Q416-S419 WeakPolarHBondContact O-CB 3.41Å; Q416-S419 PolarHBondContact O-N 2.87Å; Q416-S419 VanDerWaalsContact O-N 3.1Å; Q416-S419 PolarHBondContact O-OG 2.79Å; Q416-V420 WeakPolarHBondContact O-CG2 3.47Å; Q416-V420 PolarHBondContact O-N 2.76Å; Q416-V426 HydrophobicContact CB-CG2 4.34Å
417	Q	98.2	Very high	98.5	Very high	108 Å²	108	40.4 Å²	40.4	51%	0.505	19%	0.191	S	C	.	.	H	α-helix	trans	-58.9	-45.8	177.6	-71.8	169.3	21.2	0	0	111.6	E413 S419 V420 V421	E413-Q417 WeakPolarHBondContact O-CB 3.46Å; E413-Q417 WeakPolarHBondContact O-CG 3.15Å; E413-Q417 PolarHBondContact O-N 3.08Å; Q417-S419 VanDerWaalsContact C-N 3.3Å; Q417-S419 PolarHBondContact O-N 2.78Å; Q417-V420 PolarHBondContact O-N 3.37Å; Q417-V421 PolarHBondContact O-N 3.28Å
418	A	98.6	Very high	98.5	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-43.3	173.2	0	0	0	0	0	112	Q414 Q416 V420 V421 T422 T504 E507 F508	Q414-A418 WeakPolarHBondContact O-CB 3.44Å; Q414-A418 PolarHBondContact O-N 3.02Å; Q414-A418 VanDerWaalsContact O-N 3.11Å; Q416-A418 PolarHBondContact O-N 3.16Å; A418-V420 VanDerWaalsContact C-N 3.33Å; A418-V420 PolarHBondContact O-N 3.1Å; A418-V421 PolarHBondContact O-N 2.87Å; A418-T422 WeakPolarHBondContact O-CG2 3.45Å; A418-T422 PolarHBondContact O-N 3.41Å; A418-T422 PolarHBondContact O-OG1 3.09Å; A418-T504 HydrophobicContact CB-CG2 3.99Å; A418-E507 HydrophobicContact CB-CB 4.15Å; A418-F508 HydrophobicContact CB-CB 3.83Å
419	S	98.7	Very high	98.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-31	180	84.1	0	0	0	0	113.6	L415 Q416 Q417 V421 T422 G423 D424	L415-S419 WeakPolarHBondContact O-CB 3.5Å; L415-S419 PolarHBondContact O-N 3.22Å; Q416-S419 WeakPolarHBondContact O-CB 3.41Å; Q416-S419 PolarHBondContact O-N 2.87Å; Q416-S419 VanDerWaalsContact O-N 3.1Å; Q416-S419 PolarHBondContact O-OG 2.79Å; Q417-S419 VanDerWaalsContact C-N 3.3Å; Q417-S419 PolarHBondContact O-N 2.78Å; S419-V421 VanDerWaalsContact C-N 3.33Å; S419-V421 PolarHBondContact O-N 3.27Å; S419-T422 PolarHBondContact O-OG1 2.89Å; S419-G423 WeakPolarHBondContact O-CA 3.36Å; S419-G423 PolarHBondContact O-N 3.04Å; S419-D424 WeakPolarHBondContact CB-O 3.22Å
420	V	98.6	Very high	98.5	Very high	26 Å²	26	39.3 Å²	39.3	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-37.3	176.6	170.7	0	0	0	0	111.1	V105 K110 N112 Q416 Q417 A418	V105-V420 HydrophobicContact CG1-CG1 3.82Å; V105-V420 HydrophobicContact CG2-CG1 4.08Å; K110-V420 WeakPolarHBondContact O-CG2 3.44Å; N112-V420 PolarHBondContact N-O 2.91Å; Q416-V420 WeakPolarHBondContact O-CG2 3.47Å; Q416-V420 PolarHBondContact O-N 2.76Å; Q417-V420 PolarHBondContact O-N 3.37Å; A418-V420 VanDerWaalsContact C-N 3.33Å; A418-V420 PolarHBondContact O-N 3.1Å
421	V	98.1	Very high	98.5	Very high	53 Å²	53	36.8 Å²	36.8	32%	0.321	17%	0.172	S	C	.	.	H	α-helix	trans	-74.3	-39.4	179.7	175.7	0	0	0	0	111.9	K115 R119 Q417 A418 S419 E507	K115-V421 WeakPolarHBondContact CD-O 3.33Å; R119-V421 PolarHBondContact NH2-O 3.5Å; Q417-V421 PolarHBondContact O-N 3.28Å; A418-V421 PolarHBondContact O-N 2.87Å; S419-V421 VanDerWaalsContact C-N 3.33Å; S419-V421 PolarHBondContact O-N 3.27Å; V421-E507 HydrophobicContact CB-CG 4.35Å; V421-E507 HydrophobicContact CG1-CG 4.14Å
422	T	98.8	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-85.5	-21.3	-176.2	61.3	0	0	0	0	113.5	R119 A418 S419 D424 R503 T504 E507	R119-T422 VanDerWaalsContact CZ-O 3.26Å; R119-T422 VanDerWaalsContact NH1-C 3.33Å; R119-T422 PolarHBondContact NH1-O 3.37Å; A418-T422 WeakPolarHBondContact O-CG2 3.45Å; A418-T422 PolarHBondContact O-N 3.41Å; A418-T422 PolarHBondContact O-OG1 3.09Å; S419-T422 PolarHBondContact O-OG1 2.89Å; T422-D424 PolarHBondContact O-N 2.79Å; T422-D424 PolarHBondContact OG1-N 2.87Å; T422-R503 HydrophobicContact CG2-CB 4Å; T422-R503 WeakPolarHBondContact CG2-O 3.26Å; T422-R503 VanDerWaalsContact O-CZ 3.27Å; T422-R503 PolarHBondContact O-NH1 3.03Å; T422-R503 PolarHBondContact O-NH2 2.87Å; T422-T504 PolarHBondContact OG1-OG1 3.06Å; T422-E507 HydrophobicContact CG2-CB 3.9Å; T422-E507 HydrophobicContact CG2-CG 4.5Å
423	G	98.5	Very high	98.5	Very high	5 Å²	5	46.1 Å²	46.1	5%	0.052	22%	0.215	C	C	.	.	S	Bend	trans	75.5	-6.2	-169.6	0	0	0	0	0	113.7	S419 R425	S419-G423 WeakPolarHBondContact O-CA 3.36Å; S419-G423 PolarHBondContact O-N 3.04Å; G423-R425 PolarHBondContact O-N 2.94Å
424	D	98.8	Very high	98.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	22%	0.219	C	C	.	.			trans	-93	82	-178.5	-160	-9.6	0	0	0	110	S419 T422 R500 P501 T504	S419-D424 WeakPolarHBondContact CB-O 3.22Å; T422-D424 PolarHBondContact O-N 2.79Å; T422-D424 PolarHBondContact OG1-N 2.87Å; D424-R500 IonicContact OD1-CZ 3.19Å; D424-R500 VanDerWaalsContact OD1-CZ 3.24Å; D424-R500 IonicContact OD1-NE 2.81Å; D424-R500 PolarHBondContact OD1-NE 2.78Å; D424-R500 IonicContact OD1-NH2 2.58Å; D424-R500 PolarHBondContact OD1-NH2 3.1Å; D424-R500 WeakPolarHBondContact OD2-CB 3.29Å; D424-R500 VanDerWaalsContact OD2-CG 3.25Å; D424-R500 WeakPolarHBondContact OD2-CG 3.25Å; D424-R500 IonicContact OD2-NE 2.72Å; D424-P501 WeakPolarHBondContact OD2-CA 3.41Å; D424-T504 PolarHBondContact O-OG1 2.59Å
425	R	98.8	Very high	98.5	Very high	49 Å²	49	47.6 Å²	47.6	19%	0.185	22%	0.22	C	C	.	.			trans	-62.8	148.1	-161.3	-62.5	-173.8	-70	-156	-6.1	114.8	E109 W111 A400 A401 T402 G423	E109-R425 WeakPolarHBondContact O-CD 3.36Å; E109-R425 PolarHBondContact O-NH1 2.77Å; E109-R425 IonicContact OE2-CZ 3.28Å; E109-R425 IonicContact OE2-NH1 3.37Å; E109-R425 PolarHBondContact OE2-NH1 3.25Å; W111-R425 HydrophobicContact CE3-CG 4.31Å; A400-R425 PolarHBondContact O-NE 2.85Å; A401-R425 CarbonylContact C-O 3.5Å; A401-R425 VanDerWaalsContact CA-O 3.3Å; A401-R425 WeakPolarHBondContact CA-O 3.39Å; A401-R425 HydrophobicContact CB-CB 3.86Å; T402-R425 PolarHBondContact N-O 3.44Å; G423-R425 PolarHBondContact O-N 2.94Å
426	V	98.9	Very high	98.5	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.5	165.8	-61	0	0	0	0	111.1	T402 V404 W412 L415 Q416 T504	T402-V426 CarbonylContact O-C 3.58Å; T402-V426 WeakPolarHBondContact O-CA 3.41Å; V404-V426 HydrophobicContact CG2-CB 3.67Å; V404-V426 HydrophobicContact CG2-CG1 3.91Å; V404-V426 HydrophobicContact CG2-CG2 4.44Å; W412-V426 HydrophobicContact CH2-CG2 3.94Å; W412-V426 HydrophobicContact CZ3-CB 4.19Å; W412-V426 HydrophobicContact CZ3-CG2 3.67Å; L415-V426 HydrophobicContact CB-CG2 4.49Å; Q416-V426 HydrophobicContact CB-CG2 4.34Å; V426-T504 HydrophobicContact CG1-CG2 4.3Å
427	W	98.8	Very high	98.5	Very high	134 Å²	134	49.5 Å²	49.5	51%	0.508	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.8	175.7	-166.5	-96	0	0	0	110.9	L397 A401 T402 V404	L397-W427 HydrophobicContact CD1-CB 3.93Å; L397-W427 HydrophobicContact CD1-CG 4.45Å; L397-W427 HydrophobicContact CD2-CG 4.32Å; A401-W427 HydrophobicContact CB-CB 3.97Å; T402-W427 PolarHBondContact O-N 3.38Å; V404-W427 PolarHBondContact N-O 2.9Å
428	R	98.8	Very high	98.4	Very high	88 Å²	88	44.9 Å²	44.9	33%	0.332	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.2	-174	-159.2	176.3	-176.6	176.1	-2	111.6	V404 D409 W412	V404-R428 WeakPolarHBondContact O-CA 3.47Å; D409-R428 IonicContact OD1-CZ 3.67Å; D409-R428 IonicContact OD1-NH1 3.61Å; D409-R428 PolarHBondContact OD1-NH1 3.04Å; D409-R428 IonicContact OD1-NH2 2.67Å; D409-R428 PolarHBondContact OD1-NH2 2.61Å; W412-R428 HydrophobicContact CD2-CB 3.88Å; W412-R428 HydrophobicContact CD2-CG 3.96Å; W412-R428 HydrophobicContact CE3-CB 3.74Å; W412-R428 HydrophobicContact CE3-CG 3.91Å; W412-R428 HydrophobicContact CG-CG 4.4Å; W412-R428 HydrophobicContact CH2-CB 3.82Å; W412-R428 VanDerWaalsContact CH2-N 3.32Å; W412-R428 HydrophobicContact CZ2-CB 3.92Å; W412-R428 HydrophobicContact CZ3-CB 3.72Å; W412-R428 HydrophobicContact CZ3-CG 4.37Å
429	M	98.9	Very high	98.4	Very high	29 Å²	29	44.6 Å²	44.6	14%	0.143	21%	0.208	C	C	.	.			trans	-120.8	148.4	-179.5	-60.6	-63.9	-76.7	0	0	110.6	M393 A396 L397 V404 F405	M393-M429 HydrophobicContact CE-CE 4.08Å; M393-M429 HydrophobicContact CE-CG 4Å; M393-M429 HydrophobicContact SD-CE 4.35Å; A396-M429 HydrophobicContact CB-CE 4.3Å; L397-M429 HydrophobicContact CD1-SD 4.14Å; V404-M429 PolarHBondContact O-N 2.95Å; F405-M429 HydrophobicContact CD1-CB 3.6Å; F405-M429 HydrophobicContact CD2-CB 4.11Å; F405-M429 HydrophobicContact CE1-CB 3.29Å; F405-M429 HydrophobicContact CE1-CG 4.44Å; F405-M429 HydrophobicContact CE2-CB 3.85Å; F405-M429 HydrophobicContact CE2-CG 4.35Å; F405-M429 HydrophobicContact CG-CB 4Å; F405-M429 HydrophobicContact CZ-CB 3.43Å; F405-M429 VanDerWaalsContact CZ-CB 3.43Å; F405-M429 HydrophobicContact CZ-CG 4.14Å
430	P	98.5	Very high	98.3	Very high	37 Å²	37	47.2 Å²	47.2	24%	0.24	22%	0.224	C	C	.	.			trans	-79.2	128.1	-166.5	29.8	-35.2	0	0	0	113.7	F432 Y435	P430-F432 HydrophobicContact CB-CD1 4.15Å; P430-F432 HydrophobicContact CB-CD2 3.75Å; P430-F432 HydrophobicContact CB-CE1 3.9Å; P430-F432 HydrophobicContact CB-CE2 3.48Å; P430-F432 VanDerWaalsContact CB-CE2 3.48Å; P430-F432 HydrophobicContact CB-CG 4.08Å; P430-F432 HydrophobicContact CB-CZ 3.56Å; P430-F432 HydrophobicContact CG-CE2 4.43Å; P430-Y435 HydrophobicContact CB-CE2 4.19Å; P430-Y435 HydrophobicContact CG-CE2 3.93Å
431	L	98.2	Very high	98.1	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	24%	0.239	C	C	.	.			trans	-104.6	55.9	177.4	-170.2	65.7	0	0	0	111.1	F405 N407 A463 R467 W475	F405-L431 HydrophobicContact CB-CD1 4.4Å; N407-L431 HydrophobicContact CB-CD2 4.27Å; L431-A463 HydrophobicContact CD1-CB 4.13Å; L431-R467 HydrophobicContact CD1-CB 4.43Å; L431-W475 HydrophobicContact CD1-CH2 4.44Å; L431-W475 HydrophobicContact CD1-CZ3 4.2Å; L431-W475 HydrophobicContact CD2-CE3 4.31Å; L431-W475 HydrophobicContact CD2-CZ3 3.77Å
432	F	98.6	Very high	98	Very high	127 Å²	127	49 Å²	49	56%	0.557	23%	0.233	S	C	*	.			trans	-87.5	149.7	-172.9	-57.1	-26.8	0	0	0	113.8	P430 H434 Y435	P430-F432 HydrophobicContact CB-CD1 4.15Å; P430-F432 HydrophobicContact CB-CD2 3.75Å; P430-F432 HydrophobicContact CB-CE1 3.9Å; P430-F432 HydrophobicContact CB-CE2 3.48Å; P430-F432 VanDerWaalsContact CB-CE2 3.48Å; P430-F432 HydrophobicContact CB-CG 4.08Å; P430-F432 HydrophobicContact CB-CZ 3.56Å; P430-F432 HydrophobicContact CG-CE2 4.43Å; F432-H434 HydrophobicContact CB-CB 4.36Å; F432-H434 PolarHBondContact O-N 2.63Å; F432-H434 VanDerWaalsContact O-N 3.11Å; F432-Y435 HydrophobicContact CB-CD2 3.98Å; F432-Y435 HydrophobicContact CB-CE2 4.09Å; F432-Y435 HydrophobicContact CD2-CE2 4.04Å; F432-Y435 HydrophobicContact CG-CE2 4.35Å; F432-Y435 PolarHBondContact O-N 2.85Å
433	Q	98.2	Very high	97.9	Very high	97 Å²	97	56.6 Å²	56.6	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-56.1	-28.4	174.2	-167.5	60	34.6	0	0	113.1	Y435 T436 N437	Q433-Y435 PolarHBondContact O-N 3.37Å; Q433-Y435 VanDerWaalsContact O-N 3.16Å; Q433-T436 PolarHBondContact O-N 3.21Å; Q433-T436 VanDerWaalsContact O-N 3.14Å; Q433-N437 PolarHBondContact NE2-OD1 3.5Å; Q433-N437 VanDerWaalsContact O-CG 3.32Å; Q433-N437 PolarHBondContact O-N 3.17Å; Q433-N437 PolarHBondContact O-OD1 3.09Å
434	H	97.8	Very high	97.9	Very high	116 Å²	116	61.3 Å²	61.3	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-52.6	-31.5	171.6	171.8	79.4	0	0	0	113.7	F432 Q438	F432-H434 HydrophobicContact CB-CB 4.36Å; F432-H434 PolarHBondContact O-N 2.63Å; F432-H434 VanDerWaalsContact O-N 3.11Å; H434-Q438 PolarHBondContact CD2-NE2 3.19Å; H434-Q438 PolarHBondContact NE2-NE2 3.28Å; H434-Q438 VanDerWaalsContact NE2-NE2 3.14Å; H434-Q438 WeakPolarHBondContact O-CG 3.43Å; H434-Q438 PolarHBondContact O-NE2 3.08Å
435	Y	98.3	Very high	97.8	Very high	40 Å²	40	62.2 Å²	62.2	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-88.9	-35.1	176.7	-55.5	-66.3	0	0	0	112.3	P430 F432 Q433 N437 Q438 C460 T461	P430-Y435 HydrophobicContact CB-CE2 4.19Å; P430-Y435 HydrophobicContact CG-CE2 3.93Å; F432-Y435 HydrophobicContact CB-CD2 3.98Å; F432-Y435 HydrophobicContact CB-CE2 4.09Å; F432-Y435 HydrophobicContact CD2-CE2 4.04Å; F432-Y435 HydrophobicContact CG-CE2 4.35Å; F432-Y435 PolarHBondContact O-N 2.85Å; Q433-Y435 PolarHBondContact O-N 3.37Å; Q433-Y435 VanDerWaalsContact O-N 3.16Å; Y435-N437 VanDerWaalsContact C-N 3.33Å; Y435-N437 PolarHBondContact O-N 2.98Å; Y435-Q438 WeakPolarHBondContact O-CB 3.41Å; Y435-Q438 PolarHBondContact O-N 3.47Å; Y435-Q438 VanDerWaalsContact O-N 3.11Å; Y435-C460 HydrophobicContact CD1-CB 3.59Å; Y435-C460 HydrophobicContact CD2-CB 3.57Å; Y435-C460 HydrophobicContact CE1-CB 3.62Å; Y435-C460 HydrophobicContact CE2-CB 3.6Å; Y435-C460 HydrophobicContact CG-CB 3.56Å; Y435-T461 HydrophobicContact CD1-CG2 4.06Å
436	T	98.3	Very high	97.8	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-46.7	172.4	-63	0	0	0	0	110.7	Q433 Q438 V439 T440 E468	Q433-T436 PolarHBondContact O-N 3.21Å; Q433-T436 VanDerWaalsContact O-N 3.14Å; T436-Q438 PolarHBondContact O-N 3.04Å; T436-V439 WeakPolarHBondContact O-CG2 3.36Å; T436-V439 PolarHBondContact O-N 2.91Å; T436-T440 HydrophobicContact CG2-CG2 3.82Å; T436-T440 PolarHBondContact O-N 3.04Å; T436-T440 PolarHBondContact O-OG1 3.41Å; T436-E468 VanDerWaalsContact CG2-OE1 3.3Å; T436-E468 WeakPolarHBondContact CG2-OE1 3.47Å
437	N	97.6	Very high	97.8	Very high	87 Å²	87	64 Å²	64	47%	0.465	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.5	177.8	-68.2	12.8	0	0	0	113.6	Q433 Y435 D441	Q433-N437 PolarHBondContact NE2-OD1 3.5Å; Q433-N437 VanDerWaalsContact O-CG 3.32Å; Q433-N437 PolarHBondContact O-N 3.17Å; Q433-N437 PolarHBondContact O-OD1 3.09Å; Y435-N437 VanDerWaalsContact C-N 3.33Å; Y435-N437 PolarHBondContact O-N 2.98Å; N437-D441 WeakPolarHBondContact O-CB 3.42Å
438	Q	97.5	Very high	97.8	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.051	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.5	176.9	-66.5	173.3	50.5	0	0	113.6	H434 Y435 T436 G451 K452 Y453 T461	H434-Q438 PolarHBondContact CD2-NE2 3.19Å; H434-Q438 PolarHBondContact NE2-NE2 3.28Å; H434-Q438 VanDerWaalsContact NE2-NE2 3.14Å; H434-Q438 WeakPolarHBondContact O-CG 3.43Å; H434-Q438 PolarHBondContact O-NE2 3.08Å; Y435-Q438 WeakPolarHBondContact O-CB 3.41Å; Y435-Q438 PolarHBondContact O-N 3.47Å; Y435-Q438 VanDerWaalsContact O-N 3.11Å; T436-Q438 PolarHBondContact O-N 3.04Å; Q438-G451 CarbonylContact O-C 3.18Å; Q438-G451 WeakPolarHBondContact O-CA 3.49Å; Q438-K452 HydrophobicContact CB-CB 4.45Å; Q438-K452 PolarHBondContact O-N 3.16Å; Q438-Y453 HydrophobicContact CG-CD2 4.02Å; Q438-Y453 HydrophobicContact CG-CE2 4.12Å; Q438-T461 HydrophobicContact CB-CG2 4.06Å
439	V	97.6	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-18.9	178.6	-65	0	0	0	0	112.8	T436 L447 N448 A464 F465	T436-V439 WeakPolarHBondContact O-CG2 3.36Å; T436-V439 PolarHBondContact O-N 2.91Å; V439-L447 CarbonylContact O-C 3.55Å; V439-L447 VanDerWaalsContact O-CA 3.3Å; V439-L447 WeakPolarHBondContact O-CA 3.31Å; V439-N448 PolarHBondContact O-N 3.24Å; V439-A464 HydrophobicContact CG2-CB 4.42Å; V439-F465 HydrophobicContact CG1-CB 4.47Å; V439-F465 HydrophobicContact CG2-CB 4.38Å
440	T	97.4	Very high	97.6	Very high	57 Å²	57	54.8 Å²	54.8	35%	0.35	28%	0.28	S	S	.	.	S	Bend	trans	-85.8	-15.8	169.2	59.9	0	0	0	0	113.2	T436 S442 L447	T436-T440 HydrophobicContact CG2-CG2 3.82Å; T436-T440 PolarHBondContact O-N 3.04Å; T436-T440 PolarHBondContact O-OG1 3.41Å; T440-S442 VanDerWaalsContact C-N 3.26Å; T440-S442 PolarHBondContact O-N 3.21Å; T440-S442 VanDerWaalsContact O-N 3.07Å; T440-L447 HydrophobicContact CG2-CD2 3.79Å
441	D	94.8	Very high	97.3	Very high	88 Å²	88	53.3 Å²	53.3	47%	0.471	27%	0.271	S	S	.	.			trans	-82.4	75	172.8	-173.8	-13.2	0	0	0	108.5	N437 K452	N437-D441 WeakPolarHBondContact O-CB 3.42Å; D441-K452 HydrophobicContact CB-CD 4.36Å; D441-K452 IonicContact OD1-NZ 3.91Å; D441-K452 PolarHBondContact OD1-NZ 2.76Å; D441-K452 VanDerWaalsContact OD2-CD 3.27Å; D441-K452 WeakPolarHBondContact OD2-CD 3.45Å; D441-K452 WeakPolarHBondContact OD2-CE 3.38Å; D441-K452 IonicContact OD2-NZ 3.57Å; D441-K452 PolarHBondContact OD2-NZ 2.88Å
442	S	95.5	Very high	96.9	Very high	27 Å²	27	57.5 Å²	57.5	19%	0.189	29%	0.289	C	S	.	.			trans	-115.7	151.4	-172.9	-173.3	0	0	0	0	111.2	Q356 T440 A445 L447	Q356-S442 PolarHBondContact OE1-OG 3.3Å; T440-S442 VanDerWaalsContact C-N 3.26Å; T440-S442 PolarHBondContact O-N 3.21Å; T440-S442 VanDerWaalsContact O-N 3.07Å; S442-A445 WeakPolarHBondContact CB-O 3.45Å; S442-L447 VanDerWaalsContact CB-C 3.47Å; S442-L447 VanDerWaalsContact OG-C 3.27Å; S442-L447 PolarHBondContact OG-O 2.87Å
443	Q	96.3	Very high	96.2	Very high	160 Å²	160	58.2 Å²	58.2	75%	0.748	29%	0.288	S	S	*	.	S	Bend	trans	-91.9	-28.1	-169.9	-178.8	59.1	90.4	0	0	113	Q356	Q356-Q443 VanDerWaalsContact OE1-N 3.14Å
444	L	97.8	Very high	94.8	Very high	105 Å²	105	57.5 Å²	57.5	55%	0.55	29%	0.294	S	S	.	.	S	Bend	trans	-125.9	-4.9	-170.1	-57	176.8	0	0	0	114.4	V346 Q356	V346-L444 HydrophobicContact CG2-CB 3.71Å; V346-L444 HydrophobicContact CG2-CD1 4.42Å; Q356-L444 HydrophobicContact CG-CB 4.38Å; Q356-L444 HydrophobicContact CG-CD1 4.33Å
445	A	98.4	Very high	93.9	Very high	22 Å²	22	62.8 Å²	62.8	18%	0.182	31%	0.31	C	S	.	.	S	Bend	trans	-157	172.9	-166.4	0	0	0	0	0	111.9	V346 T354 Q356 S442 L447	V346-A445 HydrophobicContact CG1-CB 3.94Å; V346-A445 HydrophobicContact CG2-CB 4.34Å; T354-A445 WeakPolarHBondContact OG1-CA 3.41Å; T354-A445 WeakPolarHBondContact OG1-CB 3.42Å; Q356-A445 HydrophobicContact CB-CB 3.97Å; S442-A445 WeakPolarHBondContact CB-O 3.45Å; A445-L447 PolarHBondContact O-N 3.44Å
446	D	98.6	Very high	93.7	Very high	88 Å²	88	64.9 Å²	64.9	47%	0.471	33%	0.33	S	S	.	.	S	Bend	trans	-63.1	-28.4	175	-54.6	-72	0	0	0	112.5	T354	T354-D446 WeakPolarHBondContact CB-OD2 3.45Å; T354-D446 PolarHBondContact N-OD2 3.12Å; T354-D446 PolarHBondContact O-N 3.47Å; T354-D446 PolarHBondContact OG1-N 2.97Å; T354-D446 PolarHBondContact OG1-OD2 3.47Å
447	L	98.1	Very high	93.5	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.6	-176.8	-62.4	171.3	0	0	0	111.7	K353 T354 I355 Q356 V439 T440 S442 A445 F465 E468 F469	K353-L447 HydrophobicContact CD-CD1 4.06Å; T354-L447 PolarHBondContact O-N 2.89Å; T354-L447 VanDerWaalsContact O-N 3.14Å; I355-L447 HydrophobicContact CG1-CB 4.42Å; I355-L447 HydrophobicContact CG1-CD1 4.45Å; Q356-L447 PolarHBondContact N-O 3.44Å; V439-L447 CarbonylContact O-C 3.55Å; V439-L447 VanDerWaalsContact O-CA 3.3Å; V439-L447 WeakPolarHBondContact O-CA 3.31Å; T440-L447 HydrophobicContact CG2-CD2 3.79Å; S442-L447 VanDerWaalsContact CB-C 3.47Å; S442-L447 VanDerWaalsContact OG-C 3.27Å; S442-L447 PolarHBondContact OG-O 2.87Å; A445-L447 PolarHBondContact O-N 3.44Å; L447-F465 HydrophobicContact CB-CD2 4.46Å; L447-F465 HydrophobicContact CB-CE2 4.05Å; L447-F465 HydrophobicContact CD1-CE2 4.24Å; L447-E468 HydrophobicContact CD1-CB 3.88Å; L447-E468 HydrophobicContact CD1-CG 4.48Å; L447-E468 HydrophobicContact CD2-CB 4.12Å; L447-E468 HydrophobicContact CD2-CG 3.8Å; L447-F469 HydrophobicContact CD1-CE1 4.34Å; L447-F469 HydrophobicContact CD1-CE2 3.64Å; L447-F469 HydrophobicContact CD1-CZ 3.38Å
448	N	98.4	Very high	93.5	Very high	14 Å²	14	62.7 Å²	62.7	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.5	164.5	-164.7	-56.2	0	0	0	108.9	D358 V439 I450 F465	D358-N448 PolarHBondContact OD2-ND2 3.11Å; V439-N448 PolarHBondContact O-N 3.24Å; N448-I450 PolarHBondContact O-N 3.01Å; N448-I450 VanDerWaalsContact OD1-CG1 3.24Å; N448-I450 WeakPolarHBondContact OD1-CG1 3.45Å; N448-I450 PolarHBondContact OD1-N 2.88Å; N448-I450 PolarHBondContact OD1-O 2.64Å; N448-F465 VanDerWaalsContact O-CD2 3.31Å; N448-F465 WeakPolarHBondContact O-CD2 3.22Å
449	N	98.1	Very high	93.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-74.1	-8.9	-179.6	91.6	-41.2	0	0	0	113.7	I355 Q356 V357 D358 N359 A362 R365 L366 F465	I355-N449 HydrophobicContact CG2-CB 3.93Å; Q356-N449 PolarHBondContact O-N 2.89Å; V357-N449 WeakPolarHBondContact CA-OD1 3.49Å; D358-N449 PolarHBondContact N-OD1 3.4Å; D358-N449 VanDerWaalsContact N-OD1 3.09Å; N359-N449 PolarHBondContact N-OD1 3.09Å; N359-N449 PolarHBondContact O-ND2 2.92Å; A362-N449 WeakPolarHBondContact CB-ND2 3.08Å; A362-N449 PolarHBondContact O-ND2 3.44Å; R365-N449 WeakPolarHBondContact CD-O 3.11Å; R365-N449 PolarHBondContact NE-O 2.88Å; R365-N449 PolarHBondContact NH1-O 2.91Å; L366-N449 HydrophobicContact CD2-CB 3.86Å; N449-F465 HydrophobicContact CB-CE2 4.2Å
450	I	96.6	Very high	93.6	Very high	44 Å²	44	62.9 Å²	62.9	23%	0.226	33%	0.331	C	S	.	.	S	Bend	trans	-119.3	155.2	165.8	56.3	170.1	0	0	0	111.4	D358 N359 A362 N448	D358-I450 HydrophobicContact CB-CD1 3.92Å; D358-I450 HydrophobicContact CB-CG1 4.02Å; N359-I450 HydrophobicContact CB-CD1 4.42Å; N359-I450 HydrophobicContact CB-CG2 3.66Å; A362-I450 HydrophobicContact CB-CG2 4.02Å; N448-I450 PolarHBondContact O-N 3.01Å; N448-I450 VanDerWaalsContact OD1-CG1 3.24Å; N448-I450 WeakPolarHBondContact OD1-CG1 3.45Å; N448-I450 PolarHBondContact OD1-N 2.88Å; N448-I450 PolarHBondContact OD1-O 2.64Å
451	G	92.3	Very high	93.7	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.316	C	S	.	.			trans	-75.8	143.5	174.2	0	0	0	0	0	111.6	Q438 Y453 S454	Q438-G451 CarbonylContact O-C 3.18Å; Q438-G451 WeakPolarHBondContact O-CA 3.49Å; G451-Y453 PolarHBondContact O-N 3.16Å; G451-S454 VanDerWaalsContact O-CA 3.32Å; G451-S454 WeakPolarHBondContact O-CA 3.4Å; G451-S454 PolarHBondContact O-N 2.76Å
452	K	88.7	Confident	93.8	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-33.5	180	-171.4	164.4	-173.2	158	0	115.4	Q438 D441	Q438-K452 HydrophobicContact CB-CB 4.45Å; Q438-K452 PolarHBondContact O-N 3.16Å; D441-K452 HydrophobicContact CB-CD 4.36Å; D441-K452 IonicContact OD1-NZ 3.91Å; D441-K452 PolarHBondContact OD1-NZ 2.76Å; D441-K452 VanDerWaalsContact OD2-CD 3.27Å; D441-K452 WeakPolarHBondContact OD2-CD 3.45Å; D441-K452 WeakPolarHBondContact OD2-CE 3.38Å; D441-K452 IonicContact OD2-NZ 3.57Å; D441-K452 PolarHBondContact OD2-NZ 2.88Å
453	Y	84.6	Confident	94	Very high	141 Å²	141	54.9 Å²	54.9	55%	0.553	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	13.7	178.2	-55.2	-54.9	0	0	0	114.6	Q438 G451 R455 S456	Q438-Y453 HydrophobicContact CG-CD2 4.02Å; Q438-Y453 HydrophobicContact CG-CE2 4.12Å; G451-Y453 PolarHBondContact O-N 3.16Å; Y453-R455 VanDerWaalsContact C-N 3.27Å; Y453-R455 PolarHBondContact O-N 3.35Å; Y453-S456 PolarHBondContact O-N 2.88Å
454	S	68.1	Low	94.1	Very high	83 Å²	83	47.3 Å²	47.3	58%	0.58	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	-59.3	173.7	62.7	0	0	0	0	118.3	G451	G451-S454 VanDerWaalsContact O-CA 3.32Å; G451-S454 WeakPolarHBondContact O-CA 3.4Å; G451-S454 PolarHBondContact O-N 2.76Å
455	R	79.4	Confident	94.2	Very high	227 Å²	227	42.3 Å²	42.3	86%	0.857	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-37.9	-178.8	-61.9	-179.2	177.5	-174.8	-2	112.6	Y453 G457	Y453-R455 VanDerWaalsContact C-N 3.27Å; Y453-R455 PolarHBondContact O-N 3.35Å; R455-G457 PolarHBondContact O-N 2.89Å
456	S	93.3	Very high	94.2	Very high	83 Å²	83	41.2 Å²	41.2	58%	0.58	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	118.8	-173.7	-66.1	0	0	0	0	111.6	Y453 G458	Y453-S456 PolarHBondContact O-N 2.88Å; S456-G458 VanDerWaalsContact C-N 3.34Å; S456-G458 PolarHBondContact O-N 2.79Å
457	G	95.5	Very high	94.2	Very high	32 Å²	32	41 Å²	41	33%	0.33	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	27.9	176	0	0	0	0	0	114.9	R455 A459 C460 T461	R455-G457 PolarHBondContact O-N 2.89Å; G457-A459 VanDerWaalsContact C-N 3.28Å; G457-A459 PolarHBondContact O-N 3.06Å; G457-A459 VanDerWaalsContact O-N 3.12Å; G457-C460 WeakPolarHBondContact O-CA 3.33Å; G457-C460 WeakPolarHBondContact O-CB 3.27Å; G457-C460 PolarHBondContact O-N 3.33Å; G457-T461 PolarHBondContact O-N 3.08Å
458	G	97	Very high	94.2	Very high	12 Å²	12	43.1 Å²	43.1	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-51.5	-36.2	-171.9	0	0	0	0	0	116.1	S456 T461 A462	S456-G458 VanDerWaalsContact C-N 3.34Å; S456-G458 PolarHBondContact O-N 2.79Å; G458-T461 WeakPolarHBondContact CA-OG1 3.43Å; G458-T461 PolarHBondContact O-OG1 2.94Å; G458-A462 WeakPolarHBondContact O-CB 3.39Å; G458-A462 PolarHBondContact O-N 3.37Å
459	A	98.3	Very high	94.2	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-40.2	173.6	0	0	0	0	0	112.4	T390 A392 M393 F405 G457 A462 A463	T390-A459 WeakPolarHBondContact OG1-CB 3.43Å; A392-A459 HydrophobicContact CB-CB 4.26Å; M393-A459 HydrophobicContact CE-CB 3.73Å; F405-A459 HydrophobicContact CE2-CB 4.36Å; F405-A459 HydrophobicContact CZ-CB 3.93Å; F405-A459 WeakPolarHBondContact CZ-O 3.41Å; G457-A459 VanDerWaalsContact C-N 3.28Å; G457-A459 PolarHBondContact O-N 3.06Å; G457-A459 VanDerWaalsContact O-N 3.12Å; A459-A462 PolarHBondContact O-N 2.81Å; A459-A463 WeakPolarHBondContact O-CB 3.33Å; A459-A463 PolarHBondContact O-N 3.13Å
460	C	98.7	Very high	94.2	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-72	-35.3	-179.7	-47.4	0	0	0	0	111.9	F405 Y435 G457 A464	F405-C460 HydrophobicContact CE1-CB 3.97Å; F405-C460 HydrophobicContact CZ-CB 4.47Å; Y435-C460 HydrophobicContact CD1-CB 3.59Å; Y435-C460 HydrophobicContact CD2-CB 3.57Å; Y435-C460 HydrophobicContact CE1-CB 3.62Å; Y435-C460 HydrophobicContact CE2-CB 3.6Å; Y435-C460 HydrophobicContact CG-CB 3.56Å; G457-C460 WeakPolarHBondContact O-CA 3.33Å; G457-C460 WeakPolarHBondContact O-CB 3.27Å; G457-C460 PolarHBondContact O-N 3.33Å; C460-A464 VanDerWaalsContact O-CB 3.27Å; C460-A464 WeakPolarHBondContact O-CB 3.48Å; C460-A464 PolarHBondContact O-N 2.8Å
461	T	98.4	Very high	94.2	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-73.2	-32	172.3	54.7	0	0	0	0	112.2	Y435 Q438 G457 G458 A464 F465	Y435-T461 HydrophobicContact CD1-CG2 4.06Å; Q438-T461 HydrophobicContact CB-CG2 4.06Å; G457-T461 PolarHBondContact O-N 3.08Å; G458-T461 WeakPolarHBondContact CA-OG1 3.43Å; G458-T461 PolarHBondContact O-OG1 2.94Å; T461-A464 PolarHBondContact O-N 3.43Å; T461-F465 WeakPolarHBondContact O-CB 3.43Å; T461-F465 PolarHBondContact O-N 3.37Å
462	A	98.6	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-45.6	169.2	0	0	0	0	0	112.2	L389 T390 G458 A459 A464 F465 L466	L389-A462 HydrophobicContact CD2-CB 3.8Å; L389-A462 HydrophobicContact CG-CB 4.3Å; T390-A462 HydrophobicContact CG2-CB 3.6Å; G458-A462 WeakPolarHBondContact O-CB 3.39Å; G458-A462 PolarHBondContact O-N 3.37Å; A459-A462 PolarHBondContact O-N 2.81Å; A462-A464 VanDerWaalsContact C-N 3.35Å; A462-F465 WeakPolarHBondContact O-CB 3.39Å; A462-F465 PolarHBondContact O-N 2.81Å; A462-L466 WeakPolarHBondContact O-CG 3.19Å; A462-L466 PolarHBondContact O-N 2.91Å
463	A	98.8	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-40.7	173.7	0	0	0	0	0	112.2	F405 L431 A459 L466 R467 W475	F405-A463 HydrophobicContact CB-CB 3.79Å; F405-A463 HydrophobicContact CD1-CB 3.49Å; F405-A463 VanDerWaalsContact CD1-CB 3.49Å; F405-A463 HydrophobicContact CD2-CB 3.58Å; F405-A463 HydrophobicContact CE1-CB 3.86Å; F405-A463 HydrophobicContact CE2-CB 3.94Å; F405-A463 HydrophobicContact CG-CB 3.33Å; F405-A463 HydrophobicContact CZ-CB 4.07Å; L431-A463 HydrophobicContact CD1-CB 4.13Å; A459-A463 WeakPolarHBondContact O-CB 3.33Å; A459-A463 PolarHBondContact O-N 3.13Å; A463-L466 PolarHBondContact O-N 3.16Å; A463-R467 PolarHBondContact O-N 3.01Å; A463-W475 WeakPolarHBondContact O-CH2 3.4Å
464	A	98.7	Very high	95.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-35.5	176.4	0	0	0	0	0	112.9	V439 C460 T461 A462 R467	V439-A464 HydrophobicContact CG2-CB 4.42Å; C460-A464 VanDerWaalsContact O-CB 3.27Å; C460-A464 WeakPolarHBondContact O-CB 3.48Å; C460-A464 PolarHBondContact O-N 2.8Å; T461-A464 PolarHBondContact O-N 3.43Å; A462-A464 VanDerWaalsContact C-N 3.35Å; A464-R467 WeakPolarHBondContact O-CB 3.15Å; A464-R467 PolarHBondContact O-N 3.23Å
465	F	98.8	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-45.8	170.5	179.3	-80.7	0	0	0	111.3	I355 R365 L366 A369 V439 L447 N448 N449 T461 A462 R467 E468 F469	I355-F465 HydrophobicContact CD1-CZ 3.88Å; I355-F465 HydrophobicContact CG1-CE2 4.27Å; I355-F465 HydrophobicContact CG1-CZ 3.94Å; I355-F465 HydrophobicContact CG2-CE2 3.8Å; I355-F465 HydrophobicContact CG2-CZ 3.84Å; R365-F465 HydrophobicContact CB-CD1 3.63Å; R365-F465 HydrophobicContact CB-CE1 3.84Å; R365-F465 HydrophobicContact CG-CD1 3.59Å; R365-F465 HydrophobicContact CG-CE1 3.57Å; R365-F465 HydrophobicContact CG-CG 4.21Å; R365-F465 HydrophobicContact CG-CZ 4.18Å; L366-F465 HydrophobicContact CD2-CZ 4.05Å; A369-F465 HydrophobicContact CB-CE1 4.43Å; V439-F465 HydrophobicContact CG1-CB 4.47Å; V439-F465 HydrophobicContact CG2-CB 4.38Å; L447-F465 HydrophobicContact CB-CD2 4.46Å; L447-F465 HydrophobicContact CB-CE2 4.05Å; L447-F465 HydrophobicContact CD1-CE2 4.24Å; N448-F465 VanDerWaalsContact O-CD2 3.31Å; N448-F465 WeakPolarHBondContact O-CD2 3.22Å; N449-F465 HydrophobicContact CB-CE2 4.2Å; T461-F465 WeakPolarHBondContact O-CB 3.43Å; T461-F465 PolarHBondContact O-N 3.37Å; A462-F465 WeakPolarHBondContact O-CB 3.39Å; A462-F465 PolarHBondContact O-N 2.81Å; F465-R467 VanDerWaalsContact C-N 3.28Å; F465-R467 PolarHBondContact O-N 3.35Å; F465-E468 WeakPolarHBondContact O-CB 3.41Å; F465-E468 PolarHBondContact O-N 2.89Å; F465-F469 HydrophobicContact CD1-CD2 4.44Å; F465-F469 AromaticContact CD1-CE2 3.9Å; F465-F469 HydrophobicContact CD1-CE2 3.9Å; F465-F469 HydrophobicContact CE1-CD2 4.21Å; F465-F469 AromaticContact CE1-CE2 3.44Å; F465-F469 HydrophobicContact CE1-CE2 3.44Å; F465-F469 VanDerWaalsContact CE1-CE2 3.44Å; F465-F469 HydrophobicContact CE1-CZ 4.2Å; F465-F469 HydrophobicContact CE2-CE2 4.38Å; F465-F469 AromaticContact CZ-CE2 3.72Å; F465-F469 HydrophobicContact CZ-CE2 3.72Å; F465-F469 HydrophobicContact CZ-CZ 4.09Å; F465-F469 VanDerWaalsContact O-CD2 3.3Å; F465-F469 WeakPolarHBondContact O-CD2 3.36Å; F465-F469 WeakPolarHBondContact O-CE2 3.05Å
466	L	98.9	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-35.2	178.1	-69.4	177.7	0	0	0	112.7	R365 L368 L372 L389 A462 A463 E468 F469 W475 H477	R365-L466 HydrophobicContact CB-CD2 4.02Å; L368-L466 HydrophobicContact CB-CD2 3.57Å; L368-L466 HydrophobicContact CD1-CD1 4.19Å; L368-L466 HydrophobicContact CD1-CD2 4.09Å; L368-L466 HydrophobicContact CG-CD2 4.49Å; L372-L466 HydrophobicContact CD1-CB 4.26Å; L372-L466 HydrophobicContact CD1-CD2 3.99Å; L389-L466 HydrophobicContact CD2-CD1 3.7Å; L389-L466 HydrophobicContact CD2-CG 4.44Å; A462-L466 WeakPolarHBondContact O-CG 3.19Å; A462-L466 PolarHBondContact O-N 2.91Å; A463-L466 PolarHBondContact O-N 3.16Å; L466-E468 PolarHBondContact O-N 3.25Å; L466-F469 PolarHBondContact O-N 2.92Å; L466-F469 VanDerWaalsContact O-N 3.11Å; L466-W475 HydrophobicContact CB-CH2 4.01Å; L466-W475 HydrophobicContact CB-CZ2 3.77Å; L466-H477 HydrophobicContact CD1-CB 4.34Å
467	R	98.6	Very high	98.1	Very high	84 Å²	84	24.8 Å²	24.8	32%	0.317	15%	0.146	S	C	.	.	H	α-helix	trans	-56.3	-32.4	176.5	-172.3	-177.3	175.3	-152.7	-4.5	112.5	L431 A463 A464 F465 F469 V470 W475	L431-R467 HydrophobicContact CD1-CB 4.43Å; A463-R467 PolarHBondContact O-N 3.01Å; A464-R467 WeakPolarHBondContact O-CB 3.15Å; A464-R467 PolarHBondContact O-N 3.23Å; F465-R467 VanDerWaalsContact C-N 3.28Å; F465-R467 PolarHBondContact O-N 3.35Å; R467-F469 PolarHBondContact O-N 3.44Å; R467-F469 VanDerWaalsContact O-N 3.11Å; R467-V470 PolarHBondContact O-N 3.01Å; R467-W475 HydrophobicContact CB-CH2 3.9Å; R467-W475 HydrophobicContact CB-CZ3 3.63Å; R467-W475 HydrophobicContact CG-CZ3 3.91Å
468	E	98.8	Very high	98.3	Very high	46 Å²	46	23.3 Å²	23.3	22%	0.215	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.6	-178.6	-66.9	-60.3	131.8	0	0	114.1	K353 T436 L447 F465 L466	K353-E468 PolarHBondContact NZ-O 2.83Å; K353-E468 IonicContact NZ-OE2 3.55Å; K353-E468 PolarHBondContact NZ-OE2 2.84Å; T436-E468 VanDerWaalsContact CG2-OE1 3.3Å; T436-E468 WeakPolarHBondContact CG2-OE1 3.47Å; L447-E468 HydrophobicContact CD1-CB 3.88Å; L447-E468 HydrophobicContact CD1-CG 4.48Å; L447-E468 HydrophobicContact CD2-CB 4.12Å; L447-E468 HydrophobicContact CD2-CG 3.8Å; F465-E468 WeakPolarHBondContact O-CB 3.41Å; F465-E468 PolarHBondContact O-N 2.89Å; L466-E468 PolarHBondContact O-N 3.25Å
469	F	98.8	Very high	98.4	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.026	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	15.2	174.7	-56	-80.9	0	0	0	112.5	A349 N351 K353 I355 A369 L372 L447 F465 L466 R467	A349-F469 HydrophobicContact CB-CD1 4.3Å; A349-F469 HydrophobicContact CB-CE1 3.61Å; A349-F469 HydrophobicContact CB-CZ 4.41Å; N351-F469 WeakPolarHBondContact ND2-CD1 3.13Å; K353-F469 HydrophobicContact CB-CE1 4.19Å; K353-F469 HydrophobicContact CD-CE1 4.49Å; I355-F469 HydrophobicContact CD1-CE1 4.4Å; I355-F469 HydrophobicContact CD1-CZ 3.82Å; I355-F469 HydrophobicContact CG1-CZ 4.05Å; A369-F469 HydrophobicContact CB-CB 4.43Å; A369-F469 HydrophobicContact CB-CD1 3.68Å; A369-F469 HydrophobicContact CB-CD2 3.6Å; A369-F469 HydrophobicContact CB-CE1 3.77Å; A369-F469 HydrophobicContact CB-CE2 3.69Å; A369-F469 HydrophobicContact CB-CG 3.59Å; A369-F469 HydrophobicContact CB-CZ 3.77Å; L372-F469 HydrophobicContact CB-CB 4.36Å; L447-F469 HydrophobicContact CD1-CE1 4.34Å; L447-F469 HydrophobicContact CD1-CE2 3.64Å; L447-F469 HydrophobicContact CD1-CZ 3.38Å; F465-F469 HydrophobicContact CD1-CD2 4.44Å; F465-F469 AromaticContact CD1-CE2 3.9Å; F465-F469 HydrophobicContact CD1-CE2 3.9Å; F465-F469 HydrophobicContact CE1-CD2 4.21Å; F465-F469 AromaticContact CE1-CE2 3.44Å; F465-F469 HydrophobicContact CE1-CE2 3.44Å; F465-F469 VanDerWaalsContact CE1-CE2 3.44Å; F465-F469 HydrophobicContact CE1-CZ 4.2Å; F465-F469 HydrophobicContact CE2-CE2 4.38Å; F465-F469 AromaticContact CZ-CE2 3.72Å; F465-F469 HydrophobicContact CZ-CE2 3.72Å; F465-F469 HydrophobicContact CZ-CZ 4.09Å; F465-F469 VanDerWaalsContact O-CD2 3.3Å; F465-F469 WeakPolarHBondContact O-CD2 3.36Å; F465-F469 WeakPolarHBondContact O-CE2 3.05Å; L466-F469 PolarHBondContact O-N 2.92Å; L466-F469 VanDerWaalsContact O-N 3.11Å; R467-F469 PolarHBondContact O-N 3.44Å; R467-F469 VanDerWaalsContact O-N 3.11Å
470	V	98.3	Very high	98.4	Very high	19 Å²	19	22.5 Å²	22.5	12%	0.115	12%	0.123	C	C	.	.			trans	-131.4	126.1	-177	-178.8	0	0	0	0	112.2	L372 R467 A472 W475	L372-V470 HydrophobicContact CB-CG2 4.34Å; L372-V470 HydrophobicContact CD1-CG2 3.98Å; L372-V470 HydrophobicContact CD2-CG2 4.09Å; L372-V470 HydrophobicContact CG-CG2 4.37Å; R467-V470 PolarHBondContact O-N 3.01Å; V470-A472 HydrophobicContact CG1-CB 4.19Å; V470-W475 HydrophobicContact CB-CD2 4.22Å; V470-W475 HydrophobicContact CB-CE3 4.34Å; V470-W475 HydrophobicContact CB-CG 4.41Å; V470-W475 HydrophobicContact CG1-CB 3.65Å; V470-W475 HydrophobicContact CG1-CD2 3.95Å; V470-W475 HydrophobicContact CG1-CE3 4.21Å; V470-W475 HydrophobicContact CG1-CG 3.7Å; V470-W475 HydrophobicContact CG2-CD2 3.94Å; V470-W475 HydrophobicContact CG2-CE3 4.43Å; V470-W475 HydrophobicContact CG2-CG 4.14Å; V470-W475 HydrophobicContact CG2-CZ2 4.42Å
471	T	96.9	Very high	98.4	Very high	129 Å²	129	23 Å²	23	79%	0.791	13%	0.128	S	C	*	.			trans	-112.4	-10.5	170.4	57.4	0	0	0	0	113.1	H376	H376-T471 PolarHBondContact CD2-OG1 3.44Å; H376-T471 PolarHBondContact NE2-N 2.68Å
472	A	96.6	Very high	98.4	Very high	10 Å²	10	23 Å²	23	8%	0.083	13%	0.129	C	C	.	.			trans	-61.8	136.7	-180	0	0	0	0	0	112.9	H376 I383 N407 V470 H474	H376-A472 PolarHBondContact NE2-N 3.05Å; I383-A472 HydrophobicContact CD1-CB 3.64Å; I383-A472 HydrophobicContact CG1-CB 4.08Å; N407-A472 PolarHBondContact ND2-O 3.37Å; V470-A472 HydrophobicContact CG1-CB 4.19Å; A472-H474 PolarHBondContact O-N 3.15Å
473	P	95.7	Very high	98.4	Very high	97 Å²	97	23.1 Å²	23.1	63%	0.63	13%	0.129	S	C	*	.	S	Bend	trans	-72.1	-14.8	-176.9	30.5	-36.9	0	0	0	113.6	N407	N407-P473 PolarHBondContact OD1-O 2.94Å
474	H	98.3	Very high	98.4	Very high	64 Å²	64	24.1 Å²	24.1	30%	0.296	13%	0.134	S	C	.	.	S	Bend	trans	-129.6	86.7	-179.8	-62.4	-16.5	0	0	0	109.4	A382 I383 S408 W410 L411 A472	A382-H474 CarbonylContact C-O 3.56Å; A382-H474 VanDerWaalsContact CA-O 3.29Å; A382-H474 WeakPolarHBondContact CA-O 3.39Å; A382-H474 HydrophobicContact CB-CB 4.1Å; I383-H474 PolarHBondContact N-O 3.36Å; S408-H474 PolarHBondContact OG-ND1 2.82Å; W410-H474 HydrophobicContact CE3-CB 4.41Å; W410-H474 AromaticContact CE3-CD2 3.75Å; W410-H474 AromaticContact CE3-CG 3.95Å; W410-H474 HydrophobicContact CZ3-CB 4.13Å; W410-H474 AromaticContact CZ3-CD2 3.69Å; W410-H474 AromaticContact CZ3-CG 4Å; L411-H474 HydrophobicContact CD2-CB 4.4Å; A472-H474 PolarHBondContact O-N 3.15Å
475	W	98.9	Very high	98.4	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.9	177.6	165.3	62.1	0	0	0	111.8	I383 N385 T406 N407 L411 L431 A463 L466 R467 V470 H477	I383-W475 HydrophobicContact CB-CB 4.4Å; I383-W475 CarbonylContact O-C 3.54Å; I383-W475 VanDerWaalsContact O-CA 3.24Å; I383-W475 WeakPolarHBondContact O-CA 3.41Å; N385-W475 PolarHBondContact OD1-NE1 3.07Å; T406-W475 VanDerWaalsContact CA-O 3.26Å; T406-W475 WeakPolarHBondContact CA-O 3.39Å; T406-W475 VanDerWaalsContact CB-O 3.24Å; T406-W475 WeakPolarHBondContact CB-O 3.37Å; T406-W475 PolarHBondContact OG1-O 3.01Å; N407-W475 PolarHBondContact N-O 3.39Å; N407-W475 PolarHBondContact OD1-N 3.32Å; N407-W475 PolarHBondContact OD1-O 2.97Å; N407-W475 VanDerWaalsContact OD1-O 3.11Å; L411-W475 VanDerWaalsContact CD2-C 3.46Å; L431-W475 HydrophobicContact CD1-CH2 4.44Å; L431-W475 HydrophobicContact CD1-CZ3 4.2Å; L431-W475 HydrophobicContact CD2-CE3 4.31Å; L431-W475 HydrophobicContact CD2-CZ3 3.77Å; A463-W475 WeakPolarHBondContact O-CH2 3.4Å; L466-W475 HydrophobicContact CB-CH2 4.01Å; L466-W475 HydrophobicContact CB-CZ2 3.77Å; R467-W475 HydrophobicContact CB-CH2 3.9Å; R467-W475 HydrophobicContact CB-CZ3 3.63Å; R467-W475 HydrophobicContact CG-CZ3 3.91Å; V470-W475 HydrophobicContact CB-CD2 4.22Å; V470-W475 HydrophobicContact CB-CE3 4.34Å; V470-W475 HydrophobicContact CB-CG 4.41Å; V470-W475 HydrophobicContact CG1-CB 3.65Å; V470-W475 HydrophobicContact CG1-CD2 3.95Å; V470-W475 HydrophobicContact CG1-CE3 4.21Å; V470-W475 HydrophobicContact CG1-CG 3.7Å; V470-W475 HydrophobicContact CG2-CD2 3.94Å; V470-W475 HydrophobicContact CG2-CE3 4.43Å; V470-W475 HydrophobicContact CG2-CG 4.14Å; V470-W475 HydrophobicContact CG2-CZ2 4.42Å; W475-H477 HydrophobicContact CH2-CB 4.4Å; W475-H477 HydrophobicContact CZ2-CB 3.69Å
476	A	98.9	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	170	0	0	0	0	0	111.7	I383 V384 N385 V404 F405 L411 L415 L478	I383-A476 PolarHBondContact O-N 3.19Å; V384-A476 CarbonylContact C-O 3.55Å; V384-A476 WeakPolarHBondContact CA-O 3.49Å; V384-A476 HydrophobicContact CG2-CB 4.44Å; N385-A476 PolarHBondContact N-O 2.72Å; V404-A476 HydrophobicContact CG1-CB 4.31Å; F405-A476 CarbonylContact O-C 3.56Å; F405-A476 VanDerWaalsContact O-CA 3.25Å; F405-A476 WeakPolarHBondContact O-CA 3.48Å; L411-A476 HydrophobicContact CD2-CB 3.66Å; L411-A476 HydrophobicContact CG-CB 3.98Å; L415-A476 HydrophobicContact CD1-CB 3.85Å; A476-L478 HydrophobicContact CB-CD1 4.26Å
477	H	98.9	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.7	165.6	168.5	37.1	0	0	0	109.8	N385 L389 V404 F405 L466 W475 D479	N385-H477 PolarHBondContact ND2-ND1 2.94Å; N385-H477 CarbonylContact O-C 3.55Å; N385-H477 WeakPolarHBondContact O-CA 3.44Å; N385-H477 PolarHBondContact O-ND1 3.17Å; N385-H477 WeakPolarHBondContact OD1-CB 3.44Å; L389-H477 VanDerWaalsContact CD2-NE2 3.28Å; L389-H477 WeakPolarHBondContact CD2-NE2 3.45Å; V404-H477 WeakPolarHBondContact CA-O 3.46Å; F405-H477 HydrophobicContact CB-CB 4.45Å; F405-H477 AromaticContact CD2-CD2 3.84Å; F405-H477 PolarHBondContact N-O 3.46Å; F405-H477 PolarHBondContact O-N 2.93Å; L466-H477 HydrophobicContact CD1-CB 4.34Å; W475-H477 HydrophobicContact CH2-CB 4.4Å; W475-H477 HydrophobicContact CZ2-CB 3.69Å; H477-D479 PolarHBondContact CE1-N 3.29Å
478	L	98.9	Very high	98.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.3	170.8	-82.1	55.9	0	0	0	108.9	V384 N385 V386 A387 T402 G403 V404 L415 A476 I480 P501 L505	V384-L478 HydrophobicContact CG1-CD1 3.82Å; V384-L478 HydrophobicContact CG1-CD2 4.31Å; N385-L478 PolarHBondContact O-N 3.42Å; V386-L478 WeakPolarHBondContact CA-O 3.39Å; V386-L478 HydrophobicContact CB-CB 4.45Å; V386-L478 HydrophobicContact CG1-CB 4.1Å; V386-L478 HydrophobicContact CG2-CB 4.31Å; V386-L478 HydrophobicContact CG2-CD2 4.15Å; A387-L478 PolarHBondContact N-O 3Å; T402-L478 HydrophobicContact CG2-CB 3.7Å; T402-L478 HydrophobicContact CG2-CD2 4.19Å; T402-L478 HydrophobicContact CG2-CG 3.71Å; G403-L478 WeakPolarHBondContact O-CA 3.27Å; V404-L478 HydrophobicContact CG1-CD1 4.22Å; V404-L478 HydrophobicContact CG2-CD1 3.86Å; V404-L478 HydrophobicContact CG2-CG 3.96Å; L415-L478 HydrophobicContact CD1-CD1 4.13Å; A476-L478 HydrophobicContact CB-CD1 4.26Å; L478-I480 HydrophobicContact CB-CG2 4.27Å; L478-P501 HydrophobicContact CD2-CG 4.06Å; L478-L505 HydrophobicContact CD2-CD2 3.88Å
479	D	98.9	Very high	98.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.1	164.2	-167.3	-13.2	0	0	0	108.5	A387 L389 T390 M393 G403 H477 A481	A387-D479 CarbonylContact O-C 3.53Å; A387-D479 WeakPolarHBondContact O-CA 3.49Å; L389-D479 PolarHBondContact N-OD1 3.12Å; T390-D479 WeakPolarHBondContact CB-OD2 3.25Å; T390-D479 PolarHBondContact N-OD1 3.14Å; T390-D479 PolarHBondContact N-OD2 3.16Å; T390-D479 PolarHBondContact OG1-OD2 3.17Å; M393-D479 HydrophobicContact CB-CB 4.16Å; M393-D479 WeakPolarHBondContact CB-OD2 3.23Å; M393-D479 HydrophobicContact CE-CB 3.84Å; M393-D479 HydrophobicContact CG-CB 3.94Å; G403-D479 PolarHBondContact N-O 2.92Å; G403-D479 PolarHBondContact O-N 2.85Å; H477-D479 PolarHBondContact CE1-N 3.29Å; D479-A481 WeakPolarHBondContact OD1-CB 3.34Å; D479-A481 PolarHBondContact OD1-N 3.29Å; D479-A481 VanDerWaalsContact OD1-N 3.1Å
480	I	98.9	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.			trans	-107.1	8.1	-173.8	62.3	156	0	0	0	112.7	T308 V386 A387 T388 T402 L478 G482 V483 M484 P501	T308-I480 HydrophobicContact CG2-CD1 4.41Å; V386-I480 HydrophobicContact CG1-CD1 3.98Å; V386-I480 HydrophobicContact CG1-CG1 4.1Å; V386-I480 HydrophobicContact CG1-CG2 3.6Å; A387-I480 VanDerWaalsContact C-CG1 3.41Å; A387-I480 WeakPolarHBondContact O-CG1 3.45Å; A387-I480 PolarHBondContact O-N 3.06Å; T388-I480 HydrophobicContact CG2-CD1 4.07Å; T388-I480 HydrophobicContact CG2-CG1 3.9Å; T402-I480 HydrophobicContact CG2-CG2 3.59Å; L478-I480 HydrophobicContact CB-CG2 4.27Å; I480-G482 PolarHBondContact O-N 2.59Å; I480-V483 HydrophobicContact CB-CG2 3.71Å; I480-V483 HydrophobicContact CG2-CG2 4.2Å; I480-V483 CarbonylContact O-C 3.6Å; I480-V483 VanDerWaalsContact O-CG2 3.26Å; I480-V483 WeakPolarHBondContact O-CG2 3.22Å; I480-V483 PolarHBondContact O-N 2.94Å; I480-M484 PolarHBondContact O-N 3.45Å; I480-P501 HydrophobicContact CG2-CG 4.3Å
481	A	98.6	Very high	98.3	Very high	20 Å²	20	37.6 Å²	37.6	17%	0.165	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-54	-48	-176	0	0	0	0	0	113	T390 D479 V483 M484	T390-A481 WeakPolarHBondContact O-CB 3.26Å; D479-A481 WeakPolarHBondContact OD1-CB 3.34Å; D479-A481 PolarHBondContact OD1-N 3.29Å; D479-A481 VanDerWaalsContact OD1-N 3.1Å; A481-V483 VanDerWaalsContact C-N 3.3Å; A481-V483 PolarHBondContact O-N 2.66Å; A481-M484 WeakPolarHBondContact O-CB 3.38Å; A481-M484 PolarHBondContact O-N 2.85Å
482	G	98.5	Very high	98.4	Very high	5 Å²	5	31.7 Å²	31.7	5%	0.052	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-66.8	-25.3	178.3	0	0	0	0	0	114.9	D394 G398 S399 I480	D394-G482 WeakPolarHBondContact OD1-CA 3.2Å; G398-G482 CarbonylContact C-O 3.46Å; G398-G482 CarbonylContact O-C 3.56Å; G398-G482 VanDerWaalsContact O-CA 3.32Å; G398-G482 WeakPolarHBondContact O-CA 3.43Å; S399-G482 VanDerWaalsContact CA-O 3.24Å; S399-G482 WeakPolarHBondContact CA-O 3.39Å; S399-G482 WeakPolarHBondContact CB-O 3.27Å; S399-G482 PolarHBondContact N-O 3.11Å; I480-G482 PolarHBondContact O-N 2.59Å
483	V	98.9	Very high	98.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-94.5	1.1	175.5	-57.7	0	0	0	0	113.4	I480 A481 S485 S498 R500	I480-V483 HydrophobicContact CB-CG2 3.71Å; I480-V483 HydrophobicContact CG2-CG2 4.2Å; I480-V483 CarbonylContact O-C 3.6Å; I480-V483 VanDerWaalsContact O-CG2 3.26Å; I480-V483 WeakPolarHBondContact O-CG2 3.22Å; I480-V483 PolarHBondContact O-N 2.94Å; A481-V483 VanDerWaalsContact C-N 3.3Å; A481-V483 PolarHBondContact O-N 2.66Å; V483-S485 PolarHBondContact O-N 3.06Å; V483-S498 VanDerWaalsContact O-CB 3.26Å; V483-S498 WeakPolarHBondContact O-CB 3.45Å; V483-S498 PolarHBondContact O-OG 2.93Å; V483-R500 HydrophobicContact CB-CB 4.19Å; V483-R500 HydrophobicContact CG2-CB 4.05Å
484	M	98.8	Very high	98.6	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.103	15%	0.149	C	C	.	.	S	Bend	trans	-55	-38	-174.5	-176.7	-177.5	74.6	0	0	113.2	M200 A298 M299 A301 T388 I480 A481 M497 S498	M200-M484 HydrophobicContact CE-CB 4.5Å; M200-M484 HydrophobicContact CE-CG 3.71Å; M200-M484 WeakPolarHBondContact CE-O 3.42Å; A298-M484 HydrophobicContact CB-CE 4.09Å; M299-M484 HydrophobicContact CE-CE 4.12Å; A301-M484 HydrophobicContact CB-CG 3.91Å; A301-M484 HydrophobicContact CB-SD 3.78Å; T388-M484 HydrophobicContact CG2-CB 4.09Å; T388-M484 HydrophobicContact CG2-CG 3.88Å; T388-M484 HydrophobicContact CG2-SD 3.84Å; I480-M484 PolarHBondContact O-N 3.45Å; A481-M484 WeakPolarHBondContact O-CB 3.38Å; A481-M484 PolarHBondContact O-N 2.85Å; M484-M497 HydrophobicContact CG-SD 4.3Å; M484-S498 PolarHBondContact O-N 3.43Å; M484-S498 PolarHBondContact O-OG 3.02Å
485	S	98.4	Very high	98.6	Very high	45 Å²	45	33.9 Å²	33.9	32%	0.315	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	166.9	180	74.8	0	0	0	0	112.4	V483 G496	V483-S485 PolarHBondContact O-N 3.06Å; S485-G496 CarbonylContact C-O 3.59Å; S485-G496 WeakPolarHBondContact CA-O 3.45Å
486	N	98.8	Very high	98.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.9	173	177.5	82.8	0	0	0	108.5	V490 L493 R494 K495 G496	N486-V490 WeakPolarHBondContact OD1-CB 3.35Å; N486-V490 PolarHBondContact OD1-N 2.77Å; N486-L493 HydrophobicContact CB-CB 4.21Å; N486-L493 HydrophobicContact CB-CD1 4.32Å; N486-R494 PolarHBondContact ND2-O 2.77Å; N486-K495 CarbonylContact O-C 3.11Å; N486-K495 VanDerWaalsContact O-CA 3.25Å; N486-K495 WeakPolarHBondContact O-CA 3.32Å; N486-G496 PolarHBondContact N-O 3.39Å; N486-G496 PolarHBondContact O-N 3.07Å
487	K	98.1	Very high	98.6	Very high	123 Å²	123	35.1 Å²	35.1	54%	0.535	18%	0.182	S	C	.	.	S	Bend	trans	-109.1	-62.3	171.5	-50.9	174.4	-159	95.1	0	107.7	E489	K487-E489 WeakPolarHBondContact CA-OE2 3.32Å; K487-E489 WeakPolarHBondContact CB-OE2 3.35Å; K487-E489 PolarHBondContact N-OE2 2.7Å; K487-E489 IonicContact NZ-OE1 3.21Å; K487-E489 PolarHBondContact NZ-OE1 3.5Å
488	D	97.5	Very high	98.6	Very high	127 Å²	127	35.1 Å²	35.1	68%	0.679	18%	0.182	S	C	*	.	S	Bend	trans	-157	-3.9	-176.5	58.2	-25.7	0	0	0	112.9	V490	D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 2.75Å
489	E	98.6	Very high	98.6	Very high	74 Å²	74	35.1 Å²	35.1	35%	0.346	18%	0.182	S	C	.	.	S	Bend	trans	-64.9	-31.6	-173.8	-53.3	95.6	141	0	0	113.1	S399 K487	S399-E489 WeakPolarHBondContact OG-CG 3.3Å; S399-E489 PolarHBondContact OG-OE1 2.84Å; K487-E489 WeakPolarHBondContact CA-OE2 3.32Å; K487-E489 WeakPolarHBondContact CB-OE2 3.35Å; K487-E489 PolarHBondContact N-OE2 2.7Å; K487-E489 IonicContact NZ-OE1 3.21Å; K487-E489 PolarHBondContact NZ-OE1 3.5Å
490	V	98.6	Very high	98.6	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.097	18%	0.183	C	C	.	.	S	Bend	trans	-107.8	103.4	169.2	-175.4	0	0	0	0	108.6	N486 D488 Y492 L493	N486-V490 WeakPolarHBondContact OD1-CB 3.35Å; N486-V490 PolarHBondContact OD1-N 2.77Å; D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 2.75Å; V490-Y492 VanDerWaalsContact C-N 3.27Å; V490-Y492 HydrophobicContact CG1-CD1 4.17Å; V490-Y492 HydrophobicContact CG1-CD2 3.82Å; V490-Y492 HydrophobicContact CG1-CE1 3.82Å; V490-Y492 HydrophobicContact CG1-CE2 3.43Å; V490-Y492 VanDerWaalsContact CG1-CE2 3.43Å; V490-Y492 HydrophobicContact CG1-CG 4.17Å; V490-Y492 VanDerWaalsContact CG1-CZ 3.44Å; V490-Y492 PolarHBondContact O-N 2.71Å; V490-Y492 VanDerWaalsContact O-N 3.1Å; V490-L493 HydrophobicContact CB-CB 4.21Å; V490-L493 HydrophobicContact CB-CD1 3.96Å; V490-L493 HydrophobicContact CB-CG 4.07Å; V490-L493 HydrophobicContact CG1-CB 4.34Å; V490-L493 HydrophobicContact CG1-CD1 3.97Å; V490-L493 HydrophobicContact CG1-CG 3.81Å; V490-L493 HydrophobicContact CG2-CD1 4.31Å; V490-L493 PolarHBondContact O-N 2.84Å
491	P	98.4	Very high	98.6	Very high	51 Å²	51	35.5 Å²	35.5	33%	0.331	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.3	-168.3	-29.9	36.8	0	0	0	115.4	Q120 R127	Q120-P491 HydrophobicContact CB-CB 4.24Å; Q120-P491 HydrophobicContact CG-CB 3.74Å; Q120-P491 HydrophobicContact CG-CG 4.27Å; R127-P491 PolarHBondContact NH1-O 3.31Å; R127-P491 PolarHBondContact NH2-O 2.93Å; R127-P491 VanDerWaalsContact NH2-O 3.1Å
492	Y	98.7	Very high	98.6	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.02	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.5	178	51.1	-95.6	0	0	0	114.4	E116 R119 S123 R127 L154 G155 V490 R503	E116-Y492 VanDerWaalsContact CD-OH 3.27Å; E116-Y492 PolarHBondContact OE1-OH 3.19Å; E116-Y492 WeakPolarHBondContact OE2-CE1 3.01Å; E116-Y492 PolarHBondContact OE2-OH 2.9Å; R119-Y492 HydrophobicContact CB-CD1 3.51Å; R119-Y492 HydrophobicContact CB-CE1 3.8Å; R119-Y492 HydrophobicContact CB-CG 3.93Å; S123-Y492 WeakPolarHBondContact OG-CA 3.43Å; R127-Y492 PolarHBondContact NH2-O 3.27Å; L154-Y492 CarbonylContact C-O 3.59Å; L154-Y492 HydrophobicContact CB-CD2 4.24Å; L154-Y492 HydrophobicContact CD1-CD2 3.62Å; L154-Y492 HydrophobicContact CD1-CE2 3.81Å; G155-Y492 VanDerWaalsContact CA-O 3.25Å; G155-Y492 WeakPolarHBondContact CA-O 3.36Å; G155-Y492 PolarHBondContact N-O 2.95Å; V490-Y492 VanDerWaalsContact C-N 3.27Å; V490-Y492 HydrophobicContact CG1-CD1 4.17Å; V490-Y492 HydrophobicContact CG1-CD2 3.82Å; V490-Y492 HydrophobicContact CG1-CE1 3.82Å; V490-Y492 HydrophobicContact CG1-CE2 3.43Å; V490-Y492 VanDerWaalsContact CG1-CE2 3.43Å; V490-Y492 HydrophobicContact CG1-CG 4.17Å; V490-Y492 VanDerWaalsContact CG1-CZ 3.44Å; V490-Y492 PolarHBondContact O-N 2.71Å; V490-Y492 VanDerWaalsContact O-N 3.1Å; Y492-R503 PolarHBondContact OH-NH2 2.79Å
493	L	98.9	Very high	98.6	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.173	C	C	.	.	S	Bend	trans	-90.4	156.4	162.7	-60.2	-180	0	0	0	110	R127 L154 N486 V490 R500	R127-L493 PolarHBondContact NH2-O 2.92Å; L154-L493 HydrophobicContact CB-CD2 4.22Å; L154-L493 HydrophobicContact CD2-CD2 4.28Å; N486-L493 HydrophobicContact CB-CB 4.21Å; N486-L493 HydrophobicContact CB-CD1 4.32Å; V490-L493 HydrophobicContact CB-CB 4.21Å; V490-L493 HydrophobicContact CB-CD1 3.96Å; V490-L493 HydrophobicContact CB-CG 4.07Å; V490-L493 HydrophobicContact CG1-CB 4.34Å; V490-L493 HydrophobicContact CG1-CD1 3.97Å; V490-L493 HydrophobicContact CG1-CG 3.81Å; V490-L493 HydrophobicContact CG2-CD1 4.31Å; V490-L493 PolarHBondContact O-N 2.84Å; L493-R500 HydrophobicContact CD1-CG 4.22Å
494	R	98.6	Very high	98.6	Very high	37 Å²	37	34.4 Å²	34.4	14%	0.14	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-96.1	167.5	170	-76.1	-170.2	169	138.5	-6.8	109.5	L156 F157 N486 G496	L156-R494 PolarHBondContact O-NH1 3.45Å; F157-R494 WeakPolarHBondContact O-CD 3.42Å; F157-R494 PolarHBondContact O-NH1 2.99Å; F157-R494 VanDerWaalsContact O-NH1 3.12Å; N486-R494 PolarHBondContact ND2-O 2.77Å; R494-G496 PolarHBondContact O-N 2.99Å
495	K	98.6	Very high	98.6	Very high	178 Å²	178	33.4 Å²	33.4	77%	0.774	17%	0.169	S	C	*	.	S	Bend	trans	-57.4	128.2	168.4	-177.9	170.2	-179.3	176.6	0	110.2	N486	N486-K495 CarbonylContact O-C 3.11Å; N486-K495 VanDerWaalsContact O-CA 3.25Å; N486-K495 WeakPolarHBondContact O-CA 3.32Å
496	G	98.6	Very high	98.7	Very high	17 Å²	17	31.3 Å²	31.3	18%	0.175	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-165.5	-175.2	0	0	0	0	0	112.2	E201 S485 N486 R494	E201-G496 WeakPolarHBondContact OE2-CA 3.47Å; S485-G496 CarbonylContact C-O 3.59Å; S485-G496 WeakPolarHBondContact CA-O 3.45Å; N486-G496 PolarHBondContact N-O 3.39Å; N486-G496 PolarHBondContact O-N 3.07Å; R494-G496 PolarHBondContact O-N 2.99Å
497	M	98.8	Very high	98.7	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	146.6	173.7	-57.9	-54.8	177.3	0	0	111.4	R197 M200 E201 A298 R300 A301 M484	R197-M497 WeakPolarHBondContact CG-O 3.46Å; M200-M497 HydrophobicContact CB-CB 3.7Å; M200-M497 HydrophobicContact CB-CG 3.96Å; M200-M497 HydrophobicContact CE-CB 4.46Å; E201-M497 HydrophobicContact CB-CB 4.22Å; E201-M497 HydrophobicContact CB-CG 4.18Å; E201-M497 PolarHBondContact OE2-N 3.01Å; A298-M497 HydrophobicContact CB-CE 4.19Å; R300-M497 HydrophobicContact CG-CE 4.48Å; A301-M497 HydrophobicContact CB-CE 3.6Å; A301-M497 HydrophobicContact CB-CG 3.99Å; A301-M497 HydrophobicContact CB-SD 3.57Å; A301-M497 VanDerWaalsContact CB-SD 3.57Å; M484-M497 HydrophobicContact CG-SD 4.3Å
498	S	98.9	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-98.3	-28.7	-162.9	79.9	0	0	0	0	114.6	Q193 R197 V483 M484 R500	Q193-S498 PolarHBondContact NE2-O 2.97Å; R197-S498 WeakPolarHBondContact CD-O 3.4Å; R197-S498 VanDerWaalsContact CG-O 3.24Å; R197-S498 WeakPolarHBondContact CG-O 3.5Å; V483-S498 VanDerWaalsContact O-CB 3.26Å; V483-S498 WeakPolarHBondContact O-CB 3.45Å; V483-S498 PolarHBondContact O-OG 2.93Å; M484-S498 PolarHBondContact O-N 3.43Å; M484-S498 PolarHBondContact O-OG 3.02Å; S498-R500 PolarHBondContact O-N 2.67Å; S498-R500 WeakPolarHBondContact OG-CB 3.08Å; S498-R500 VanDerWaalsContact OG-CG 3.3Å; S498-R500 WeakPolarHBondContact OG-CG 3.44Å; S498-R500 PolarHBondContact OG-N 3.07Å; S498-R500 VanDerWaalsContact OG-N 3.08Å
499	G	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.			trans	61.7	19.7	-170.9	0	0	0	0	0	114.2	T502	G499-T502 VanDerWaalsContact O-CB 3.3Å; G499-T502 WeakPolarHBondContact O-CB 3.48Å; G499-T502 PolarHBondContact O-N 3.03Å; G499-T502 PolarHBondContact O-OG1 3.48Å
500	R	98.9	Very high	98.6	Very high	9 Å²	9	17.7 Å²	17.7	3%	0.034	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	140.3	-177.9	-60.7	174.9	62.9	-162	-7.4	110.5	T308 S399 D424 V483 L493 S498	T308-R500 WeakPolarHBondContact CG2-O 3.19Å; S399-R500 PolarHBondContact O-NH1 2.77Å; D424-R500 IonicContact OD1-CZ 3.19Å; D424-R500 VanDerWaalsContact OD1-CZ 3.24Å; D424-R500 IonicContact OD1-NE 2.81Å; D424-R500 PolarHBondContact OD1-NE 2.78Å; D424-R500 IonicContact OD1-NH2 2.58Å; D424-R500 PolarHBondContact OD1-NH2 3.1Å; D424-R500 WeakPolarHBondContact OD2-CB 3.29Å; D424-R500 VanDerWaalsContact OD2-CG 3.25Å; D424-R500 WeakPolarHBondContact OD2-CG 3.25Å; D424-R500 IonicContact OD2-NE 2.72Å; V483-R500 HydrophobicContact CB-CB 4.19Å; V483-R500 HydrophobicContact CG2-CB 4.05Å; L493-R500 HydrophobicContact CD1-CG 4.22Å; S498-R500 PolarHBondContact O-N 2.67Å; S498-R500 WeakPolarHBondContact OG-CB 3.08Å; S498-R500 VanDerWaalsContact OG-CG 3.3Å; S498-R500 WeakPolarHBondContact OG-CG 3.44Å; S498-R500 PolarHBondContact OG-N 3.07Å; S498-R500 VanDerWaalsContact OG-N 3.08Å
501	P	98.8	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	cis	-107.9	50	7.4	41.5	-36.5	0	0	0	113.8	T402 D424 L478 I480 R503 T504 L505	T402-P501 HydrophobicContact CG2-CG 4.4Å; D424-P501 WeakPolarHBondContact OD2-CA 3.41Å; L478-P501 HydrophobicContact CD2-CG 4.06Å; I480-P501 HydrophobicContact CG2-CG 4.3Å; P501-R503 VanDerWaalsContact C-N 3.29Å; P501-R503 PolarHBondContact O-N 3.27Å; P501-R503 VanDerWaalsContact O-N 3.13Å; P501-T504 WeakPolarHBondContact O-CB 3.47Å; P501-T504 PolarHBondContact O-N 3.04Å; P501-L505 HydrophobicContact CG-CG 4.5Å; P501-L505 PolarHBondContact O-N 3.43Å; P501-L505 VanDerWaalsContact O-N 3.12Å
502	T	98.9	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-48.6	-43.3	-174.4	-59.3	0	0	0	0	114.1	A196 T308 A311 S312 G499 T504 L505 L506	A196-T502 WeakPolarHBondContact CB-OG1 3.16Å; T308-T502 WeakPolarHBondContact CA-OG1 3.31Å; T308-T502 WeakPolarHBondContact CG2-OG1 3.26Å; A311-T502 HydrophobicContact CB-CG2 4.25Å; S312-T502 PolarHBondContact OG-O 3.47Å; G499-T502 VanDerWaalsContact O-CB 3.3Å; G499-T502 WeakPolarHBondContact O-CB 3.48Å; G499-T502 PolarHBondContact O-N 3.03Å; G499-T502 PolarHBondContact O-OG1 3.48Å; T502-T504 VanDerWaalsContact C-N 3.32Å; T502-T504 PolarHBondContact O-N 2.64Å; T502-L505 PolarHBondContact O-N 3.03Å; T502-L506 WeakPolarHBondContact O-CB 3.45Å; T502-L506 PolarHBondContact O-N 3.35Å
503	R	98.9	Very high	97.2	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-34.7	-180	-67.4	-172.8	-58.3	113.9	7.6	112.7	E150 Y189 Q193 T422 Y492 P501 L506 E507	E150-R503 VanDerWaalsContact CD-NH1 3.32Å; E150-R503 WeakPolarHBondContact OE1-CD 3.28Å; E150-R503 IonicContact OE1-CZ 2.68Å; E150-R503 IonicContact OE1-NE 3.76Å; E150-R503 IonicContact OE1-NH1 3.57Å; E150-R503 PolarHBondContact OE1-NH1 2.94Å; E150-R503 IonicContact OE2-NH1 2.65Å; Y189-R503 HydrophobicContact CD1-CB 4.11Å; Y189-R503 HydrophobicContact CD1-CG 4.22Å; Y189-R503 WeakPolarHBondContact O-CG 3.23Å; Q193-R503 HydrophobicContact CB-CG 4.14Å; T422-R503 HydrophobicContact CG2-CB 4Å; T422-R503 WeakPolarHBondContact CG2-O 3.26Å; T422-R503 VanDerWaalsContact O-CZ 3.27Å; T422-R503 PolarHBondContact O-NH1 3.03Å; T422-R503 PolarHBondContact O-NH2 2.87Å; Y492-R503 PolarHBondContact OH-NH2 2.79Å; P501-R503 VanDerWaalsContact C-N 3.29Å; P501-R503 PolarHBondContact O-N 3.27Å; P501-R503 VanDerWaalsContact O-N 3.13Å; R503-L506 PolarHBondContact O-N 2.63Å; R503-E507 PolarHBondContact O-N 3.03Å
504	T	98.9	Very high	95.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-71.7	-40	177.6	-61	0	0	0	0	111.5	A418 T422 D424 V426 P501 T502 L506 E507 F508	A418-T504 HydrophobicContact CB-CG2 3.99Å; T422-T504 PolarHBondContact OG1-OG1 3.06Å; D424-T504 PolarHBondContact O-OG1 2.59Å; V426-T504 HydrophobicContact CG1-CG2 4.3Å; P501-T504 WeakPolarHBondContact O-CB 3.47Å; P501-T504 PolarHBondContact O-N 3.04Å; T502-T504 VanDerWaalsContact C-N 3.32Å; T502-T504 PolarHBondContact O-N 2.64Å; T504-L506 VanDerWaalsContact C-N 3.28Å; T504-L506 PolarHBondContact O-N 3.16Å; T504-E507 PolarHBondContact O-N 2.78Å; T504-F508 WeakPolarHBondContact O-CB 3.48Å; T504-F508 PolarHBondContact O-N 3.44Å
505	L	98.9	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-40.1	172.1	-66	171.4	0	0	0	111.6	S312 V384 V386 L478 P501 T502 A509	S312-L505 WeakPolarHBondContact OG-CB 3.43Å; V384-L505 HydrophobicContact CG1-CD2 4.22Å; V386-L505 HydrophobicContact CG2-CD1 4.08Å; V386-L505 HydrophobicContact CG2-CD2 4.14Å; L478-L505 HydrophobicContact CD2-CD2 3.88Å; P501-L505 HydrophobicContact CG-CG 4.5Å; P501-L505 PolarHBondContact O-N 3.43Å; P501-L505 VanDerWaalsContact O-N 3.12Å; T502-L505 PolarHBondContact O-N 3.03Å; L505-A509 WeakPolarHBondContact O-CB 3.04Å; L505-A509 PolarHBondContact O-N 3.36Å
506	L	98.7	Very high	91.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-44	177.9	-176	63.3	0	0	0	113.4	Y189 A315 A316 L319 L321 T502 R503 T504 F508 A509 A510	Y189-L506 HydrophobicContact CD1-CD2 3.96Å; Y189-L506 HydrophobicContact CD2-CD2 3.52Å; Y189-L506 HydrophobicContact CD2-CG 4.39Å; Y189-L506 HydrophobicContact CE1-CB 4.25Å; Y189-L506 HydrophobicContact CE1-CD2 3.94Å; Y189-L506 HydrophobicContact CE1-CG 4.07Å; Y189-L506 HydrophobicContact CE2-CD2 3.52Å; Y189-L506 HydrophobicContact CE2-CG 3.9Å; Y189-L506 HydrophobicContact CG-CD2 3.74Å; A315-L506 HydrophobicContact CB-CD1 3.94Å; A315-L506 HydrophobicContact CB-CD2 3.52Å; A315-L506 HydrophobicContact CB-CG 4.36Å; A316-L506 HydrophobicContact CB-CD1 3.93Å; L319-L506 HydrophobicContact CD1-CD1 4.27Å; L319-L506 HydrophobicContact CD1-CD2 4.07Å; L319-L506 HydrophobicContact CD1-CG 4.37Å; L321-L506 HydrophobicContact CD1-CD1 3.94Å; T502-L506 WeakPolarHBondContact O-CB 3.45Å; T502-L506 PolarHBondContact O-N 3.35Å; R503-L506 PolarHBondContact O-N 2.63Å; T504-L506 VanDerWaalsContact C-N 3.28Å; T504-L506 PolarHBondContact O-N 3.16Å; L506-F508 VanDerWaalsContact C-N 3.33Å; L506-A509 PolarHBondContact O-N 3.37Å; L506-A510 WeakPolarHBondContact O-CB 3.36Å; L506-A510 PolarHBondContact O-N 2.87Å
507	E	98.7	Very high	91.2	Very high	29 Å²	29	22.7 Å²	22.7	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-33.9	176	-155.8	84	-117.4	0	0	111.2	K146 K185 Y189 A418 V421 T422 R503 T504 A510 G511	K146-E507 IonicContact NZ-OE2 2.75Å; K146-E507 PolarHBondContact NZ-OE2 3.19Å; K185-E507 IonicContact NZ-OE1 3.83Å; K185-E507 PolarHBondContact NZ-OE1 3.4Å; Y189-E507 HydrophobicContact CE1-CB 3.99Å; Y189-E507 VanDerWaalsContact CE1-OE2 3.25Å; Y189-E507 WeakPolarHBondContact CE1-OE2 3.49Å; Y189-E507 VanDerWaalsContact OH-CA 3.3Å; Y189-E507 WeakPolarHBondContact OH-CA 3.33Å; Y189-E507 PolarHBondContact OH-N 3.36Å; Y189-E507 PolarHBondContact OH-OE1 2.67Å; Y189-E507 PolarHBondContact OH-OE2 2.76Å; A418-E507 HydrophobicContact CB-CB 4.15Å; V421-E507 HydrophobicContact CB-CG 4.35Å; V421-E507 HydrophobicContact CG1-CG 4.14Å; T422-E507 HydrophobicContact CG2-CB 3.9Å; T422-E507 HydrophobicContact CG2-CG 4.5Å; R503-E507 PolarHBondContact O-N 3.03Å; T504-E507 PolarHBondContact O-N 2.78Å; E507-A510 PolarHBondContact O-N 2.89Å; E507-G511 PolarHBondContact O-N 3.22Å
508	F	98.5	Very high	90.8	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-48.8	171.5	164.3	-111.6	0	0	0	111.9	L274 V384 L411 Q414 L415 A418 T504 L506 A510 G511 L512	L274-F508 HydrophobicContact CD1-CE1 3.77Å; L274-F508 HydrophobicContact CD1-CZ 4.15Å; L274-F508 HydrophobicContact CD2-CD1 4.28Å; L274-F508 HydrophobicContact CD2-CE1 3.85Å; L274-F508 HydrophobicContact CG-CE1 4.48Å; V384-F508 HydrophobicContact CG2-CE1 3.76Å; V384-F508 HydrophobicContact CG2-CZ 4.07Å; L411-F508 HydrophobicContact CD1-CE2 3.69Å; L411-F508 HydrophobicContact CD1-CZ 3.43Å; L411-F508 VanDerWaalsContact CD1-CZ 3.43Å; Q414-F508 HydrophobicContact CB-CD2 3.81Å; Q414-F508 HydrophobicContact CB-CE2 3.7Å; L415-F508 HydrophobicContact CD2-CB 4.19Å; L415-F508 HydrophobicContact CD2-CD1 3.93Å; L415-F508 HydrophobicContact CD2-CD2 3.99Å; L415-F508 HydrophobicContact CD2-CE1 4.29Å; L415-F508 HydrophobicContact CD2-CE2 4.35Å; L415-F508 HydrophobicContact CD2-CG 3.76Å; L415-F508 HydrophobicContact CD2-CZ 4.48Å; L415-F508 HydrophobicContact CG-CD2 4.24Å; L415-F508 HydrophobicContact CG-CE2 4.34Å; A418-F508 HydrophobicContact CB-CB 3.83Å; T504-F508 WeakPolarHBondContact O-CB 3.48Å; T504-F508 PolarHBondContact O-N 3.44Å; L506-F508 VanDerWaalsContact C-N 3.33Å; F508-A510 VanDerWaalsContact C-N 3.27Å; F508-A510 PolarHBondContact O-N 3.01Å; F508-G511 PolarHBondContact O-N 3.07Å; F508-G511 VanDerWaalsContact O-N 3.17Å; F508-L512 HydrophobicContact CD2-CG 4.31Å; F508-L512 HydrophobicContact CE1-CD1 4.07Å; F508-L512 HydrophobicContact CE2-CD1 3.8Å; F508-L512 HydrophobicContact CE2-CD2 4.14Å; F508-L512 HydrophobicContact CE2-CG 3.87Å; F508-L512 HydrophobicContact CZ-CD1 3.52Å; F508-L512 HydrophobicContact CZ-CG 4.11Å; F508-L512 PolarHBondContact O-N 3.01Å
509	A	97.9	Very high	90.4	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-36.6	175.1	0	0	0	0	0	112.1	L274 I325 L505 L506 A513	L274-A509 HydrophobicContact CD2-CB 4.06Å; I325-A509 HydrophobicContact CD1-CB 4.1Å; L505-A509 WeakPolarHBondContact O-CB 3.04Å; L505-A509 PolarHBondContact O-N 3.36Å; L506-A509 PolarHBondContact O-N 3.37Å; A509-A513 PolarHBondContact O-N 3.24Å
510	A	96.8	Very high	89.9	Confident	6 Å²	6	26.1 Å²	26.1	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-40.4	173.4	0	0	0	0	0	112.5	L321 L506 E507 F508 A513 H514	L321-A510 HydrophobicContact CD1-CB 4.02Å; L321-A510 HydrophobicContact CD2-CB 4.09Å; L506-A510 WeakPolarHBondContact O-CB 3.36Å; L506-A510 PolarHBondContact O-N 2.87Å; E507-A510 PolarHBondContact O-N 2.89Å; F508-A510 VanDerWaalsContact C-N 3.27Å; F508-A510 PolarHBondContact O-N 3.01Å; A510-A513 WeakPolarHBondContact O-CB 3.48Å; A510-A513 PolarHBondContact O-N 3.34Å; A510-H514 PolarHBondContact O-ND1 3.3Å
511	G	95.1	Very high	89.3	Confident	27 Å²	27	27.1 Å²	27.1	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-48.5	174.6	0	0	0	0	0	112.3	E507 F508 A513 H514 S515	E507-G511 PolarHBondContact O-N 3.22Å; F508-G511 PolarHBondContact O-N 3.07Å; F508-G511 VanDerWaalsContact O-N 3.17Å; G511-A513 PolarHBondContact O-N 3.09Å; G511-A513 VanDerWaalsContact O-N 3.08Å; G511-H514 PolarHBondContact O-N 3.01Å; G511-S515 PolarHBondContact O-N 2.59Å; G511-S515 VanDerWaalsContact O-N 3.08Å
512	L	90.6	Very high	88.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-19.3	176.1	-69.3	-166.6	0	0	0	114.5	L274 R381 W410 Q414 F508	L274-L512 HydrophobicContact CD1-CD1 4.17Å; L274-L512 HydrophobicContact CD2-CD1 4.32Å; R381-L512 PolarHBondContact NH1-O 3.45Å; W410-L512 HydrophobicContact CH2-CD1 4.48Å; W410-L512 HydrophobicContact CH2-CD2 3.66Å; W410-L512 HydrophobicContact CZ2-CD2 3.43Å; W410-L512 VanDerWaalsContact CZ2-CD2 3.43Å; Q414-L512 HydrophobicContact CG-CD2 4.38Å; F508-L512 HydrophobicContact CD2-CG 4.31Å; F508-L512 HydrophobicContact CE1-CD1 4.07Å; F508-L512 HydrophobicContact CE2-CD1 3.8Å; F508-L512 HydrophobicContact CE2-CD2 4.14Å; F508-L512 HydrophobicContact CE2-CG 3.87Å; F508-L512 HydrophobicContact CZ-CD1 3.52Å; F508-L512 HydrophobicContact CZ-CG 4.11Å; F508-L512 PolarHBondContact O-N 3.01Å
513	A	80.6	Confident	88	Confident	20 Å²	20	31 Å²	31	17%	0.165	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.6	175.4	0	0	0	0	0	113.4	P322 V323 A509 A510 G511	P322-A513 HydrophobicContact CG-CB 3.95Å; V323-A513 HydrophobicContact CB-CB 3.89Å; V323-A513 HydrophobicContact CG1-CB 4.12Å; A509-A513 PolarHBondContact O-N 3.24Å; A510-A513 WeakPolarHBondContact O-CB 3.48Å; A510-A513 PolarHBondContact O-N 3.34Å; G511-A513 PolarHBondContact O-N 3.09Å; G511-A513 VanDerWaalsContact O-N 3.08Å
514	H	72.1	Confident	87.1	Confident	154 Å²	154	33.3 Å²	33.3	71%	0.713	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-19.7	174.5	-60.1	78.6	0	0	0	112.3	A510 G511 G516	A510-H514 PolarHBondContact O-ND1 3.3Å; G511-H514 PolarHBondContact O-N 3.01Å; H514-G516 PolarHBondContact O-N 2.81Å
515	S	59.4	Low	86.1	Confident	63 Å²	63	35.9 Å²	35.9	44%	0.441	26%	0.259	S	S	.	.			trans	-94.5	64.1	170.4	-52.9	0	0	0	0	111	R381 G511	R381-S515 PolarHBondContact NH2-O 2.73Å; G511-S515 PolarHBondContact O-N 2.59Å; G511-S515 VanDerWaalsContact O-N 3.08Å
516	G	46.4	Very low	85	Confident	124 Å²	124	39.1 Å²	39.1	100%	1.278	28%	0.282	S	S	*	.			trans	-106.5	0	179.1	0	0	0	0	0	112.4	H514	H514-G516 PolarHBondContact O-N 2.81Å

Retrieved 516 of 516 residues in 724 ms (Link to these results)

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