A0A087XPV0_POEFO Loading...

Cystein proteinase inhibitor protein salarin

Inhibits papain and ficin (cysteine proteinases) but not trypsin (a serine proteinase).

AlphaFold DB , UniProt , Accession A0A087XPV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	41.5	Very low	231 Å²	231	139.7 Å²	139.7	100%	1.138	82%	0.82	S	S	*	*				0	87.3	0	-72.4	-157.7	-83.6	0	0	109.1
2	L	41.8	Very low	41.7	Very low	178 Å²	178	138.5 Å²	138.5	93%	0.932	82%	0.815	S	S	*	*			trans	179	51.8	167.6	-108.3	134.5	0	0	0	111.6
3	S	42.4	Very low	41.7	Very low	124 Å²	124	135.5 Å²	135.5	87%	0.867	81%	0.805	S	S	*	*	S	Bend	trans	-151.1	32.5	175.3	-81	0	0	0	0	114.5
4	C	43.7	Very low	41.6	Very low	118 Å²	118	133.1 Å²	133.1	80%	0.797	81%	0.808	S	S	*	*	S	Bend	trans	-134.8	9.7	176.7	-90.4	0	0	0	0	115.3
5	V	43.3	Very low	42.1	Very low	117 Å²	117	135.4 Å²	135.4	71%	0.709	81%	0.813	S	S	*	*	S	Bend	trans	-104.6	-14	-175.1	-175.6	0	0	0	0	113.6
6	C	42.3	Very low	42.5	Very low	111 Å²	111	133.2 Å²	133.2	75%	0.75	81%	0.806	S	S	*	*	S	Bend	trans	-91.7	-2.4	-174	-69.7	0	0	0	0	116.2
7	V	40.1	Very low	42.8	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	81%	0.805	S	S	*	*	S	Bend	trans	-97.5	-7.9	-178.1	-175	0	0	0	0	112.8
8	L	38.5	Very low	43.5	Very low	147 Å²	147	131.1 Å²	131.1	77%	0.77	78%	0.776	S	S	*	*	S	Bend	trans	-100.5	1.6	-179.3	-90.2	151.9	0	0	0	114.9
9	L	39.4	Very low	44.9	Very low	137 Å²	137	129.3 Å²	129.3	72%	0.717	76%	0.762	S	S	*	*	S	Bend	trans	-110.6	3.4	-179.4	-81.2	162.3	0	0	0	114.7
10	L	38.5	Very low	46.2	Very low	150 Å²	150	129.8 Å²	129.8	79%	0.785	76%	0.757	S	S	*	*	S	Bend	trans	-107.8	8.2	177	-74.4	169	0	0	0	114.1
11	A	42.3	Very low	47.6	Very low	89 Å²	89	127.8 Å²	127.8	74%	0.736	75%	0.747	S	S	*	*	S	Bend	trans	-107	17	178	0	0	0	0	0	113.8
12	V	43.3	Very low	49.6	Very low	125 Å²	125	122.2 Å²	122.2	76%	0.758	72%	0.716	S	S	*	*	S	Bend	trans	-120	9.6	-174.3	-165.2	0	0	0	0	113.8
13	S	42.7	Very low	51.8	Low	99 Å²	99	114 Å²	114	69%	0.692	67%	0.673	S	S	*	*			trans	-128.2	24	-178.3	62.2	0	0	0	0	115.7
14	A	40.1	Very low	54.2	Low	102 Å²	102	111.3 Å²	111.3	84%	0.843	65%	0.649	S	S	*	*	S	Bend	trans	-97.2	14.6	175.9	0	0	0	0	0	114.1
15	L	48.9	Very low	56.6	Low	168 Å²	168	108.6 Å²	108.6	88%	0.88	64%	0.635	S	S	*	*	S	Bend	trans	-140	62.5	-176.3	-88.3	152.5	0	0	0	110.7
16	S	48.4	Very low	59.1	Low	100 Å²	100	105.6 Å²	105.6	70%	0.699	61%	0.613	S	S	*	*	S	Bend	trans	175.5	51.1	159.3	58.9	0	0	0	0	114.1
17	H	46.9	Very low	61.7	Low	173 Å²	173	100.4 Å²	100.4	80%	0.801	58%	0.578	S	S	*	*			trans	-144.1	89	153	-91.8	-60.1	0	0	0	105.9	D19	H17-D19 PolarHBondContact O-N 2.97Å; H17-D19 VanDerWaalsContact O-N 3.15Å
18	M	56	Low	64.4	Low	55 Å²	55	98.2 Å²	98.2	27%	0.271	56%	0.559	S	S	.	*			trans	-54.5	120.4	152	-72.3	-161.5	-77.5	0	0	105	E20 L23 R56	M18-E20 PolarHBondContact O-N 3.17Å; M18-E20 VanDerWaalsContact O-N 3.1Å; M18-L23 HydrophobicContact CB-CD1 3.84Å; M18-L23 HydrophobicContact CB-CD2 4.44Å; M18-L23 HydrophobicContact CB-CG 4.07Å; M18-L23 HydrophobicContact CE-CD1 4.1Å; M18-L23 HydrophobicContact CE-CD2 3.86Å; M18-L23 HydrophobicContact SD-CD2 3.92Å; M18-R56 HydrophobicContact CE-CG 3.94Å
19	D	70.3	Confident	67.1	Low	98 Å²	98	97.6 Å²	97.6	52%	0.524	55%	0.552	S	S	.	*			trans	-51	119.8	-179.5	-171.5	-17.4	0	0	0	108.1	H17 T21 F22 L23	H17-D19 PolarHBondContact O-N 2.97Å; H17-D19 VanDerWaalsContact O-N 3.15Å; D19-T21 PolarHBondContact O-N 3.3Å; D19-T21 VanDerWaalsContact O-N 3.1Å; D19-T21 PolarHBondContact OD1-N 3.15Å; D19-T21 PolarHBondContact OD1-OG1 3.47Å; D19-T21 PolarHBondContact OD2-OG1 3.31Å; D19-F22 HydrophobicContact CB-CB 4.12Å; D19-F22 WeakPolarHBondContact O-CA 3.4Å; D19-F22 WeakPolarHBondContact O-CB 3.29Å; D19-F22 PolarHBondContact O-N 3.03Å; D19-L23 PolarHBondContact O-N 3.21Å
20	E	71.4	Confident	69.9	Low	138 Å²	138	91.9 Å²	91.9	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-54.7	-33.7	-176.1	-74.8	-176	164	0	0	110.7	M18 F22 L23 D24	M18-E20 PolarHBondContact O-N 3.17Å; M18-E20 VanDerWaalsContact O-N 3.1Å; E20-F22 VanDerWaalsContact C-N 3.31Å; E20-F22 PolarHBondContact O-N 3.32Å; E20-L23 PolarHBondContact O-N 2.55Å; E20-D24 VanDerWaalsContact O-CG 3.29Å; E20-D24 PolarHBondContact O-N 3.13Å
21	T	75.4	Confident	72.7	Confident	89 Å²	89	85.8 Å²	85.8	55%	0.546	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-30.9	176.9	66.2	0	0	0	0	113.3	D19 A25	D19-T21 PolarHBondContact O-N 3.3Å; D19-T21 VanDerWaalsContact O-N 3.1Å; D19-T21 PolarHBondContact OD1-N 3.15Å; D19-T21 PolarHBondContact OD1-OG1 3.47Å; D19-T21 PolarHBondContact OD2-OG1 3.31Å; T21-A25 PolarHBondContact O-N 2.86Å
22	F	85.4	Confident	75.3	Confident	113 Å²	113	86.7 Å²	86.7	50%	0.496	49%	0.485	S	S	.	.	H	α-helix	trans	-74.5	-38.1	175.4	176.8	-107.6	0	0	0	111.4	D19 E20 A25 Q26	D19-F22 HydrophobicContact CB-CB 4.12Å; D19-F22 WeakPolarHBondContact O-CA 3.4Å; D19-F22 WeakPolarHBondContact O-CB 3.29Å; D19-F22 PolarHBondContact O-N 3.03Å; E20-F22 VanDerWaalsContact C-N 3.31Å; E20-F22 PolarHBondContact O-N 3.32Å; F22-A25 PolarHBondContact O-N 3.14Å; F22-Q26 HydrophobicContact CE1-CG 4.27Å; F22-Q26 HydrophobicContact CE2-CG 4.37Å; F22-Q26 HydrophobicContact CZ-CG 4.09Å; F22-Q26 PolarHBondContact O-N 2.93Å; F22-Q26 VanDerWaalsContact O-N 3.12Å
23	L	89.2	Confident	77.8	Confident	6 Å²	6	85.2 Å²	85.2	3%	0.031	48%	0.476	C	S	.	.	H	α-helix	trans	-68.7	-36.1	175	-70.1	174.2	0	0	0	112.2	M18 D19 E20 A25 Q26 W27 W51	M18-L23 HydrophobicContact CB-CD1 3.84Å; M18-L23 HydrophobicContact CB-CD2 4.44Å; M18-L23 HydrophobicContact CB-CG 4.07Å; M18-L23 HydrophobicContact CE-CD1 4.1Å; M18-L23 HydrophobicContact CE-CD2 3.86Å; M18-L23 HydrophobicContact SD-CD2 3.92Å; D19-L23 PolarHBondContact O-N 3.21Å; E20-L23 PolarHBondContact O-N 2.55Å; L23-A25 PolarHBondContact O-N 3.06Å; L23-Q26 PolarHBondContact O-N 3.5Å; L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.36Å; L23-W27 PolarHBondContact O-N 3.27Å; L23-W51 HydrophobicContact CD2-CH2 4.43Å; L23-W51 HydrophobicContact CD2-CZ3 4.15Å
24	D	92.4	Very high	80.4	Confident	68 Å²	68	82.9 Å²	82.9	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-54.8	-51.5	171.7	-70.5	-23.4	0	0	0	111	E20 Q26 W27 E28 R48	E20-D24 VanDerWaalsContact O-CG 3.29Å; E20-D24 PolarHBondContact O-N 3.13Å; D24-Q26 PolarHBondContact O-N 2.89Å; D24-W27 PolarHBondContact O-N 2.9Å; D24-E28 WeakPolarHBondContact O-CG 3.19Å; D24-E28 PolarHBondContact O-N 3.24Å; D24-R48 IonicContact OD1-CZ 3.63Å; D24-R48 IonicContact OD1-NH1 3.67Å; D24-R48 PolarHBondContact OD1-NH1 2.94Å; D24-R48 IonicContact OD1-NH2 3.46Å; D24-R48 PolarHBondContact OD1-NH2 3.44Å
25	A	93.6	Very high	83	Confident	61 Å²	61	86.5 Å²	86.5	50%	0.504	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-42.2	-178.9	0	0	0	0	0	112.5	T21 F22 L23 Q29	T21-A25 PolarHBondContact O-N 2.86Å; F22-A25 PolarHBondContact O-N 3.14Å; L23-A25 PolarHBondContact O-N 3.06Å; A25-Q29 WeakPolarHBondContact O-CB 3.46Å; A25-Q29 PolarHBondContact O-N 3.3Å
26	Q	95.4	Very high	85.2	Confident	54 Å²	54	82.1 Å²	82.1	25%	0.252	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-38.4	177	-73.1	-163.6	102.4	0	0	112.5	F22 L23 D24 Q29 W30 W51	F22-Q26 HydrophobicContact CE1-CG 4.27Å; F22-Q26 HydrophobicContact CE2-CG 4.37Å; F22-Q26 HydrophobicContact CZ-CG 4.09Å; F22-Q26 PolarHBondContact O-N 2.93Å; F22-Q26 VanDerWaalsContact O-N 3.12Å; L23-Q26 PolarHBondContact O-N 3.5Å; D24-Q26 PolarHBondContact O-N 2.89Å; Q26-Q29 PolarHBondContact O-N 3.27Å; Q26-W30 VanDerWaalsContact O-CB 3.23Å; Q26-W30 WeakPolarHBondContact O-CB 3.46Å; Q26-W30 PolarHBondContact O-N 3.05Å; Q26-W51 HydrophobicContact CB-CH2 3.74Å; Q26-W51 HydrophobicContact CB-CZ2 4.26Å
27	W	96.9	Very high	87.4	Confident	1 Å²	1	85 Å²	85	0%	0.004	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-49.7	176	173.1	-115.1	0	0	0	111.5	L23 D24 Q29 W30 K31 Y38 E44 R47 R48 W51 D81	L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.36Å; L23-W27 PolarHBondContact O-N 3.27Å; D24-W27 PolarHBondContact O-N 2.9Å; W27-Q29 PolarHBondContact O-N 2.76Å; W27-W30 AromaticContact CE3-CE3 3.86Å; W27-W30 HydrophobicContact CE3-CE3 3.86Å; W27-W30 HydrophobicContact CE3-CZ3 4.31Å; W27-W30 HydrophobicContact CH2-CE3 4.28Å; W27-W30 AromaticContact CH2-CZ3 3.92Å; W27-W30 HydrophobicContact CH2-CZ3 3.92Å; W27-W30 AromaticContact CZ3-CE3 3.52Å; W27-W30 HydrophobicContact CZ3-CE3 3.52Å; W27-W30 AromaticContact CZ3-CZ3 3.51Å; W27-W30 HydrophobicContact CZ3-CZ3 3.51Å; W27-W30 PolarHBondContact O-N 3.29Å; W27-K31 HydrophobicContact CD2-CD 4.3Å; W27-K31 HydrophobicContact CD2-CG 4.08Å; W27-K31 HydrophobicContact CE3-CG 4.41Å; W27-K31 HydrophobicContact CH2-CG 4.29Å; W27-K31 HydrophobicContact CZ2-CD 3.78Å; W27-K31 HydrophobicContact CZ2-CG 3.93Å; W27-K31 HydrophobicContact CZ3-CG 4.49Å; W27-K31 WeakPolarHBondContact O-CG 3.19Å; W27-K31 PolarHBondContact O-N 3.16Å; W27-Y38 AromaticContact CH2-CE2 3.82Å; W27-Y38 HydrophobicContact CH2-CE2 3.82Å; W27-Y38 AromaticContact CH2-CZ 3.82Å; W27-Y38 WeakPolarHBondContact CH2-OH 3.45Å; W27-Y38 HydrophobicContact CZ2-CD2 4.35Å; W27-Y38 AromaticContact CZ2-CE2 3.43Å; W27-Y38 HydrophobicContact CZ2-CE2 3.43Å; W27-Y38 VanDerWaalsContact CZ2-CE2 3.43Å; W27-Y38 AromaticContact CZ2-CZ 3.93Å; W27-E44 HydrophobicContact CZ2-CG 4.1Å; W27-E44 PolarHBondContact NE1-OE1 3.33Å; W27-R47 HydrophobicContact CH2-CB 4.07Å; W27-R47 HydrophobicContact CZ2-CB 4.46Å; W27-R48 HydrophobicContact CD2-CB 4.17Å; W27-R48 HydrophobicContact CD2-CG 4.09Å; W27-R48 HydrophobicContact CE3-CG 4.49Å; W27-R48 HydrophobicContact CG-CG 4.27Å; W27-R48 HydrophobicContact CH2-CB 4.21Å; W27-R48 HydrophobicContact CZ2-CB 3.84Å; W27-W51 HydrophobicContact CB-CZ3 4.43Å; W27-W51 HydrophobicContact CE3-CB 4Å; W27-W51 AromaticContact CE3-CD2 3.72Å; W27-W51 HydrophobicContact CE3-CD2 3.72Å; W27-W51 AromaticContact CE3-CE3 4Å; W27-W51 HydrophobicContact CE3-CE3 4Å; W27-W51 AromaticContact CE3-CG 3.7Å; W27-W51 HydrophobicContact CE3-CG 3.7Å; W27-W51 HydrophobicContact CH2-CB 4.43Å; W27-W51 HydrophobicContact CZ3-CB 3.51Å; W27-W51 AromaticContact CZ3-CD1 3.92Å; W27-W51 HydrophobicContact CZ3-CD2 4.12Å; W27-W51 AromaticContact CZ3-CG 3.57Å; W27-W51 HydrophobicContact CZ3-CG 3.57Å; W27-D81 HydrophobicContact CH2-CB 4.32Å; W27-D81 HydrophobicContact CZ3-CB 4.48Å
28	E	96.5	Very high	89.7	Confident	90 Å²	90	78.4 Å²	78.4	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-41.8	178.1	-69.1	-53.8	140.3	0	0	112.4	D24 K31 T32	D24-E28 WeakPolarHBondContact O-CG 3.19Å; D24-E28 PolarHBondContact O-N 3.24Å; E28-K31 PolarHBondContact O-N 3.47Å; E28-K31 WeakPolarHBondContact OE1-CE 3.37Å; E28-K31 IonicContact OE1-NZ 2.97Å; E28-K31 PolarHBondContact OE1-NZ 3.32Å; E28-K31 WeakPolarHBondContact OE2-CE 3.49Å; E28-K31 IonicContact OE2-NZ 3.03Å; E28-K31 PolarHBondContact OE2-NZ 3.44Å; E28-T32 WeakPolarHBondContact O-CB 3.45Å; E28-T32 PolarHBondContact O-N 2.98Å; E28-T32 PolarHBondContact O-OG1 3.25Å
29	Q	96.6	Very high	91.1	Very high	133 Å²	133	82.7 Å²	82.7	62%	0.621	42%	0.42	S	S	*	.	H	α-helix	trans	-62.9	-44.1	174.9	-177.9	178.9	-1.3	0	0	111.4	A25 Q26 W27 T32 T33	A25-Q29 WeakPolarHBondContact O-CB 3.46Å; A25-Q29 PolarHBondContact O-N 3.3Å; Q26-Q29 PolarHBondContact O-N 3.27Å; W27-Q29 PolarHBondContact O-N 2.76Å; Q29-T32 PolarHBondContact O-N 3.12Å; Q29-T33 WeakPolarHBondContact O-CB 3.49Å; Q29-T33 PolarHBondContact O-N 3.17Å; Q29-T33 PolarHBondContact O-OG1 3.48Å
30	W	98	Very high	91.7	Very high	17 Å²	17	80 Å²	80	6%	0.064	42%	0.415	C	S	.	.	H	α-helix	trans	-64.5	-44.7	179.3	178.4	92	0	0	0	111.4	Q26 W27 T32 T33 H34 R36 W51 N77 D81	Q26-W30 VanDerWaalsContact O-CB 3.23Å; Q26-W30 WeakPolarHBondContact O-CB 3.46Å; Q26-W30 PolarHBondContact O-N 3.05Å; W27-W30 AromaticContact CE3-CE3 3.86Å; W27-W30 HydrophobicContact CE3-CE3 3.86Å; W27-W30 HydrophobicContact CE3-CZ3 4.31Å; W27-W30 HydrophobicContact CH2-CE3 4.28Å; W27-W30 AromaticContact CH2-CZ3 3.92Å; W27-W30 HydrophobicContact CH2-CZ3 3.92Å; W27-W30 AromaticContact CZ3-CE3 3.52Å; W27-W30 HydrophobicContact CZ3-CE3 3.52Å; W27-W30 AromaticContact CZ3-CZ3 3.51Å; W27-W30 HydrophobicContact CZ3-CZ3 3.51Å; W27-W30 PolarHBondContact O-N 3.29Å; W30-T32 PolarHBondContact O-N 2.87Å; W30-T33 PolarHBondContact O-N 2.94Å; W30-H34 AromaticContact CD1-CE1 3.42Å; W30-H34 VanDerWaalsContact CD1-CE1 3.42Å; W30-H34 AromaticContact CD1-ND1 3.39Å; W30-H34 AromaticContact CD2-ND1 3.86Å; W30-H34 AromaticContact CE2-ND1 3.58Å; W30-H34 AromaticContact CG-ND1 3.72Å; W30-H34 AromaticContact NE1-CE1 3.36Å; W30-H34 PolarHBondContact NE1-CE1 3.4Å; W30-H34 AromaticContact NE1-ND1 3.3Å; W30-H34 PolarHBondContact NE1-ND1 2.77Å; W30-H34 PolarHBondContact O-N 2.97Å; W30-H34 PolarHBondContact O-ND1 3.13Å; W30-R36 HydrophobicContact CE3-CG 4.42Å; W30-R36 HydrophobicContact CH2-CG 3.69Å; W30-R36 HydrophobicContact CZ3-CB 4.24Å; W30-R36 HydrophobicContact CZ3-CG 3.6Å; W30-W51 HydrophobicContact CB-CZ2 4.43Å; W30-W51 AromaticContact CD1-NE1 3.54Å; W30-W51 AromaticContact CD2-CD1 3.73Å; W30-W51 AromaticContact CD2-NE1 3.53Å; W30-W51 AromaticContact CE2-CD1 3.8Å; W30-W51 AromaticContact CE2-NE1 3.82Å; W30-W51 AromaticContact CG-NE1 3.41Å; W30-W51 AromaticContact NE1-NE1 3.75Å; W30-N77 PolarHBondContact NE1-O 3.46Å; W30-D81 HydrophobicContact CH2-CB 3.64Å; W30-D81 VanDerWaalsContact CH2-CG 3.48Å; W30-D81 WeakPolarHBondContact CH2-OD1 3.43Å; W30-D81 HydrophobicContact CZ3-CB 4.04Å
31	K	97.7	Very high	92	Very high	23 Å²	23	81.7 Å²	81.7	10%	0.1	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-47.4	174.9	-74.7	-169.9	-61.7	178	0	111.5	W27 E28 T33 H34 Q35 R36 Y38 E44	W27-K31 HydrophobicContact CD2-CD 4.3Å; W27-K31 HydrophobicContact CD2-CG 4.08Å; W27-K31 HydrophobicContact CE3-CG 4.41Å; W27-K31 HydrophobicContact CH2-CG 4.29Å; W27-K31 HydrophobicContact CZ2-CD 3.78Å; W27-K31 HydrophobicContact CZ2-CG 3.93Å; W27-K31 HydrophobicContact CZ3-CG 4.49Å; W27-K31 WeakPolarHBondContact O-CG 3.19Å; W27-K31 PolarHBondContact O-N 3.16Å; E28-K31 PolarHBondContact O-N 3.47Å; E28-K31 WeakPolarHBondContact OE1-CE 3.37Å; E28-K31 IonicContact OE1-NZ 2.97Å; E28-K31 PolarHBondContact OE1-NZ 3.32Å; E28-K31 WeakPolarHBondContact OE2-CE 3.49Å; E28-K31 IonicContact OE2-NZ 3.03Å; E28-K31 PolarHBondContact OE2-NZ 3.44Å; K31-T33 VanDerWaalsContact C-N 3.35Å; K31-T33 PolarHBondContact O-N 3.44Å; K31-H34 CarbonylContact O-C 3.55Å; K31-H34 PolarHBondContact O-N 2.83Å; K31-Q35 WeakPolarHBondContact O-CA 3.33Å; K31-Q35 PolarHBondContact O-N 3.03Å; K31-R36 HydrophobicContact CB-CB 4.16Å; K31-R36 HydrophobicContact CG-CB 4.13Å; K31-R36 PolarHBondContact O-N 3.22Å; K31-Y38 HydrophobicContact CD-CD2 4.27Å; K31-Y38 HydrophobicContact CD-CE2 3.66Å; K31-Y38 HydrophobicContact CG-CE2 4.11Å; K31-E44 IonicContact NZ-OE1 3.53Å; K31-E44 PolarHBondContact NZ-OE1 2.87Å; K31-E44 IonicContact NZ-OE2 3.73Å
32	T	96.6	Very high	92.5	Very high	108 Å²	108	83.9 Å²	83.9	66%	0.663	44%	0.436	S	S	*	.	H	α-helix	trans	-61.5	-44.4	179.3	-58.2	0	0	0	0	111.3	E28 Q29 W30 H34 Q35	E28-T32 WeakPolarHBondContact O-CB 3.45Å; E28-T32 PolarHBondContact O-N 2.98Å; E28-T32 PolarHBondContact O-OG1 3.25Å; Q29-T32 PolarHBondContact O-N 3.12Å; W30-T32 PolarHBondContact O-N 2.87Å; T32-H34 VanDerWaalsContact C-N 3.31Å; T32-H34 PolarHBondContact O-N 3.44Å; T32-Q35 PolarHBondContact O-N 3.45Å
33	T	96.5	Very high	92.9	Very high	93 Å²	93	81.7 Å²	81.7	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-63.2	-37.7	-179.4	-58.6	0	0	0	0	112	Q29 W30 K31	Q29-T33 WeakPolarHBondContact O-CB 3.49Å; Q29-T33 PolarHBondContact O-N 3.17Å; Q29-T33 PolarHBondContact O-OG1 3.48Å; W30-T33 PolarHBondContact O-N 2.94Å; K31-T33 VanDerWaalsContact C-N 3.35Å; K31-T33 PolarHBondContact O-N 3.44Å
34	H	96.1	Very high	93.2	Very high	50 Å²	50	84.9 Å²	84.9	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-103.4	9.2	-175.5	-59.4	96.7	0	0	0	113.7	W30 K31 T32 R36 H78	W30-H34 AromaticContact CD1-CE1 3.42Å; W30-H34 VanDerWaalsContact CD1-CE1 3.42Å; W30-H34 AromaticContact CD1-ND1 3.39Å; W30-H34 AromaticContact CD2-ND1 3.86Å; W30-H34 AromaticContact CE2-ND1 3.58Å; W30-H34 AromaticContact CG-ND1 3.72Å; W30-H34 AromaticContact NE1-CE1 3.36Å; W30-H34 PolarHBondContact NE1-CE1 3.4Å; W30-H34 AromaticContact NE1-ND1 3.3Å; W30-H34 PolarHBondContact NE1-ND1 2.77Å; W30-H34 PolarHBondContact O-N 2.97Å; W30-H34 PolarHBondContact O-ND1 3.13Å; K31-H34 CarbonylContact O-C 3.55Å; K31-H34 PolarHBondContact O-N 2.83Å; T32-H34 VanDerWaalsContact C-N 3.31Å; T32-H34 PolarHBondContact O-N 3.44Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 HydrophobicContact CB-CG 4.03Å; H34-R36 PolarHBondContact O-N 3.18Å; H34-H78 WeakPolarHBondContact CD2-CA 3.48Å; H34-H78 WeakPolarHBondContact CD2-CB 3.43Å
35	Q	95.8	Very high	93.3	Very high	178 Å²	178	84 Å²	84	83%	0.832	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	47.8	178.2	-57.5	174	8	0	0	112.5	K31 T32	K31-Q35 WeakPolarHBondContact O-CA 3.33Å; K31-Q35 PolarHBondContact O-N 3.03Å; T32-Q35 PolarHBondContact O-N 3.45Å
36	R	95.3	Very high	93.4	Very high	77 Å²	77	86 Å²	86	29%	0.291	45%	0.451	S	S	.	.			trans	-89.3	126.9	-178.2	-65.8	-74	-175.8	-163.3	8.7	111.1	W30 K31 H34 Y38 H78 D81	W30-R36 HydrophobicContact CE3-CG 4.42Å; W30-R36 HydrophobicContact CH2-CG 3.69Å; W30-R36 HydrophobicContact CZ3-CB 4.24Å; W30-R36 HydrophobicContact CZ3-CG 3.6Å; K31-R36 HydrophobicContact CB-CB 4.16Å; K31-R36 HydrophobicContact CG-CB 4.13Å; K31-R36 PolarHBondContact O-N 3.22Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 HydrophobicContact CB-CG 4.03Å; H34-R36 PolarHBondContact O-N 3.18Å; R36-Y38 HydrophobicContact CB-CE2 4.28Å; R36-H78 PolarHBondContact NH2-O 2.99Å; R36-D81 IonicContact CZ-OD1 3.53Å; R36-D81 IonicContact NE-OD1 2.85Å; R36-D81 IonicContact NE-OD2 3.76Å; R36-D81 IonicContact NH2-OD1 3.04Å
37	E	93.5	Very high	93.5	Very high	160 Å²	160	85.2 Å²	85.2	75%	0.748	45%	0.446	S	S	*	.			trans	-126.8	139.6	175.1	-63.3	-176	173.2	0	0	109
38	Y	94.6	Very high	93.5	Very high	34 Å²	34	87.9 Å²	87.9	13%	0.133	46%	0.455	C	S	.	.			trans	-128.7	127.7	179.9	-51.1	-65.8	0	0	0	108.8	W27 K31 R36 E43 E44 R47 D81	W27-Y38 AromaticContact CH2-CE2 3.82Å; W27-Y38 HydrophobicContact CH2-CE2 3.82Å; W27-Y38 AromaticContact CH2-CZ 3.82Å; W27-Y38 WeakPolarHBondContact CH2-OH 3.45Å; W27-Y38 HydrophobicContact CZ2-CD2 4.35Å; W27-Y38 AromaticContact CZ2-CE2 3.43Å; W27-Y38 HydrophobicContact CZ2-CE2 3.43Å; W27-Y38 VanDerWaalsContact CZ2-CE2 3.43Å; W27-Y38 AromaticContact CZ2-CZ 3.93Å; K31-Y38 HydrophobicContact CD-CD2 4.27Å; K31-Y38 HydrophobicContact CD-CE2 3.66Å; K31-Y38 HydrophobicContact CG-CE2 4.11Å; R36-Y38 HydrophobicContact CB-CE2 4.28Å; Y38-E43 HydrophobicContact CD1-CG 4.12Å; Y38-E43 HydrophobicContact CG-CG 4.46Å; Y38-E44 HydrophobicContact CD2-CB 3.79Å; Y38-E44 HydrophobicContact CD2-CG 3.73Å; Y38-E44 HydrophobicContact CE2-CG 4.25Å; Y38-E44 HydrophobicContact CG-CB 4.13Å; Y38-R47 HydrophobicContact CD1-CB 4.3Å; Y38-R47 HydrophobicContact CD1-CG 3.83Å; Y38-R47 HydrophobicContact CE1-CB 3.78Å; Y38-R47 HydrophobicContact CE1-CG 3.54Å; Y38-R47 HydrophobicContact CE2-CB 4.41Å; Y38-D81 PolarHBondContact OH-OD2 2.55Å; Y38-D81 VanDerWaalsContact OH-OD2 3.04Å
39	N	86.4	Confident	93.5	Very high	146 Å²	146	86.3 Å²	86.3	78%	0.781	46%	0.458	S	S	*	.			trans	-119.7	-12.5	-169.4	-67	-49.1	0	0	0	112.6	E43	N39-E43 PolarHBondContact N-OE2 2.69Å
40	G	82.7	Confident	93.6	Very high	41 Å²	41	81.3 Å²	81.3	42%	0.423	44%	0.435	S	S	.	.	S	Bend	trans	-80.5	148.4	176.6	0	0	0	0	0	113.4	D42 E43	G40-D42 PolarHBondContact O-N 2.89Å; G40-E43 PolarHBondContact N-OE2 3.44Å; G40-E43 WeakPolarHBondContact O-CB 3.18Å; G40-E43 PolarHBondContact O-N 3.49Å
41	L	78.4	Confident	93.6	Very high	173 Å²	173	80.7 Å²	80.7	91%	0.906	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	125.7	166.7	-69.5	170	0	0	0	108.9	E43	L41-E43 PolarHBondContact O-N 3.28Å; L41-E43 VanDerWaalsContact O-N 3.08Å
42	D	85.4	Confident	93.6	Very high	136 Å²	136	81 Å²	81	73%	0.727	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	4	-178.5	-53.9	-34.4	0	0	0	116.6	G40 E44 G45 I46	G40-D42 PolarHBondContact O-N 2.89Å; D42-E44 PolarHBondContact O-N 2.86Å; D42-G45 PolarHBondContact O-N 3.2Å; D42-I46 PolarHBondContact O-N 2.85Å
43	E	93.3	Very high	93.7	Very high	66 Å²	66	82.8 Å²	82.8	31%	0.308	43%	0.433	S	S	.	.	H	α-helix	trans	-60.2	-47.2	-179.7	-179.5	179.4	-163.2	0	0	111.5	Y38 N39 G40 L41 G45 I46 R47	Y38-E43 HydrophobicContact CD1-CG 4.12Å; Y38-E43 HydrophobicContact CG-CG 4.46Å; N39-E43 PolarHBondContact N-OE2 2.69Å; G40-E43 PolarHBondContact N-OE2 3.44Å; G40-E43 WeakPolarHBondContact O-CB 3.18Å; G40-E43 PolarHBondContact O-N 3.49Å; L41-E43 PolarHBondContact O-N 3.28Å; L41-E43 VanDerWaalsContact O-N 3.08Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 2.98Å; E43-I46 PolarHBondContact O-N 3.23Å; E43-R47 HydrophobicContact CG-CG 4.15Å; E43-R47 WeakPolarHBondContact O-CB 3.38Å; E43-R47 VanDerWaalsContact O-CG 3.23Å; E43-R47 WeakPolarHBondContact O-CG 3.49Å; E43-R47 PolarHBondContact O-N 3.18Å
44	E	95.3	Very high	93.8	Very high	73 Å²	73	79 Å²	79	34%	0.341	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-39.6	-179.9	-179.1	165.7	-178.4	0	0	112.1	W27 K31 Y38 D42 I46 R47 R48	W27-E44 HydrophobicContact CZ2-CG 4.1Å; W27-E44 PolarHBondContact NE1-OE1 3.33Å; K31-E44 IonicContact NZ-OE1 3.53Å; K31-E44 PolarHBondContact NZ-OE1 2.87Å; K31-E44 IonicContact NZ-OE2 3.73Å; Y38-E44 HydrophobicContact CD2-CB 3.79Å; Y38-E44 HydrophobicContact CD2-CG 3.73Å; Y38-E44 HydrophobicContact CE2-CG 4.25Å; Y38-E44 HydrophobicContact CG-CB 4.13Å; D42-E44 PolarHBondContact O-N 2.86Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.18Å; E44-R47 PolarHBondContact O-N 3.01Å; E44-R48 VanDerWaalsContact O-CB 3.25Å; E44-R48 WeakPolarHBondContact O-CB 3.37Å; E44-R48 PolarHBondContact O-N 3.29Å
45	G	94.6	Very high	93.9	Very high	51 Å²	51	77.6 Å²	77.6	53%	0.526	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-42.3	177.9	0	0	0	0	0	112.2	D42 E43 A49	D42-G45 PolarHBondContact O-N 3.2Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 2.98Å; G45-A49 WeakPolarHBondContact O-CB 3.49Å; G45-A49 PolarHBondContact O-N 3.19Å
46	I	96	Very high	94	Very high	103 Å²	103	74.8 Å²	74.8	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-48.3	175.9	-65.4	167.9	0	0	0	110.5	D42 E43 E44 R48 A49 I50	D42-I46 PolarHBondContact O-N 2.85Å; E43-I46 PolarHBondContact O-N 3.23Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.18Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 2.84Å; I46-A49 PolarHBondContact O-N 3.46Å; I46-A49 VanDerWaalsContact O-N 3.16Å; I46-I50 HydrophobicContact CG2-CD1 3.99Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.14Å
47	R	97.6	Very high	94.1	Very high	37 Å²	37	73.8 Å²	73.8	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-42	-179	-69.5	-73.5	171.2	-148.8	-2.8	111.8	W27 Y38 E43 E44 I50 W51 D81 E86	W27-R47 HydrophobicContact CH2-CB 4.07Å; W27-R47 HydrophobicContact CZ2-CB 4.46Å; Y38-R47 HydrophobicContact CD1-CB 4.3Å; Y38-R47 HydrophobicContact CD1-CG 3.83Å; Y38-R47 HydrophobicContact CE1-CB 3.78Å; Y38-R47 HydrophobicContact CE1-CG 3.54Å; Y38-R47 HydrophobicContact CE2-CB 4.41Å; E43-R47 HydrophobicContact CG-CG 4.15Å; E43-R47 WeakPolarHBondContact O-CB 3.38Å; E43-R47 VanDerWaalsContact O-CG 3.23Å; E43-R47 WeakPolarHBondContact O-CG 3.49Å; E43-R47 PolarHBondContact O-N 3.18Å; E44-R47 PolarHBondContact O-N 3.01Å; R47-I50 PolarHBondContact O-N 2.91Å; R47-W51 WeakPolarHBondContact O-CB 3.22Å; R47-W51 PolarHBondContact O-N 3.25Å; R47-D81 HydrophobicContact CB-CB 4.15Å; R47-D81 WeakPolarHBondContact CD-O 3.48Å; R47-D81 PolarHBondContact NH1-O 2.88Å; R47-E86 IonicContact CZ-OE1 2.94Å; R47-E86 IonicContact CZ-OE2 2.72Å; R47-E86 VanDerWaalsContact NH1-CD 3.3Å; R47-E86 IonicContact NH1-OE1 2.68Å; R47-E86 PolarHBondContact NH1-OE1 2.76Å; R47-E86 IonicContact NH1-OE2 3.8Å; R47-E86 PolarHBondContact NH1-OE2 3.4Å; R47-E86 IonicContact NH2-OE1 3.92Å; R47-E86 PolarHBondContact NH2-OE1 3.26Å
48	R	96.8	Very high	94.4	Very high	56 Å²	56	66.7 Å²	66.7	21%	0.211	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-44.9	173.2	-179.6	175.8	169.1	162.8	2.2	112.1	D24 W27 E44 I46 I50 W51 E52	D24-R48 IonicContact OD1-CZ 3.63Å; D24-R48 IonicContact OD1-NH1 3.67Å; D24-R48 PolarHBondContact OD1-NH1 2.94Å; D24-R48 IonicContact OD1-NH2 3.46Å; D24-R48 PolarHBondContact OD1-NH2 3.44Å; W27-R48 HydrophobicContact CD2-CB 4.17Å; W27-R48 HydrophobicContact CD2-CG 4.09Å; W27-R48 HydrophobicContact CE3-CG 4.49Å; W27-R48 HydrophobicContact CG-CG 4.27Å; W27-R48 HydrophobicContact CH2-CB 4.21Å; W27-R48 HydrophobicContact CZ2-CB 3.84Å; E44-R48 VanDerWaalsContact O-CB 3.25Å; E44-R48 WeakPolarHBondContact O-CB 3.37Å; E44-R48 PolarHBondContact O-N 3.29Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 2.84Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.49Å; R48-W51 WeakPolarHBondContact O-CB 3.37Å; R48-W51 PolarHBondContact O-N 3.24Å; R48-W51 VanDerWaalsContact O-N 3.17Å; R48-E52 HydrophobicContact CG-CG 4.42Å; R48-E52 IonicContact CZ-OE1 3.75Å; R48-E52 IonicContact NE-OE1 3.59Å; R48-E52 PolarHBondContact NE-OE1 3.4Å; R48-E52 IonicContact NH2-OE1 3.84Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 2.85Å
49	A	96.8	Very high	94.5	Very high	58 Å²	58	68.8 Å²	68.8	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-39.4	178.8	0	0	0	0	0	112.2	G45 I46 K53	G45-A49 WeakPolarHBondContact O-CB 3.49Å; G45-A49 PolarHBondContact O-N 3.19Å; I46-A49 PolarHBondContact O-N 3.46Å; I46-A49 VanDerWaalsContact O-N 3.16Å; A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 3.27Å
50	I	98.3	Very high	95.1	Very high	27 Å²	27	64 Å²	64	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-48.1	172.8	-65.7	165.7	0	0	0	110.3	I46 R47 R48 E52 K53 N54 T83	I46-I50 HydrophobicContact CG2-CD1 3.99Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.14Å; R47-I50 PolarHBondContact O-N 2.91Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.49Å; I50-E52 PolarHBondContact O-N 3.28Å; I50-K53 WeakPolarHBondContact O-CB 3.37Å; I50-K53 PolarHBondContact O-N 3Å; I50-K53 VanDerWaalsContact O-N 3.16Å; I50-N54 PolarHBondContact O-N 3.22Å; I50-N54 PolarHBondContact O-ND2 2.71Å; I50-T83 HydrophobicContact CD1-CG2 4.01Å; I50-T83 HydrophobicContact CG1-CG2 4.28Å; I50-T83 HydrophobicContact CG2-CG2 4.22Å
51	W	98.6	Very high	95.9	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-46.3	177.8	177.6	92.7	0	0	0	112.9	L23 Q26 W27 W30 R47 R48 K53 N54 M55 M76 G80	L23-W51 HydrophobicContact CD2-CH2 4.43Å; L23-W51 HydrophobicContact CD2-CZ3 4.15Å; Q26-W51 HydrophobicContact CB-CH2 3.74Å; Q26-W51 HydrophobicContact CB-CZ2 4.26Å; W27-W51 HydrophobicContact CB-CZ3 4.43Å; W27-W51 HydrophobicContact CE3-CB 4Å; W27-W51 AromaticContact CE3-CD2 3.72Å; W27-W51 HydrophobicContact CE3-CD2 3.72Å; W27-W51 AromaticContact CE3-CE3 4Å; W27-W51 HydrophobicContact CE3-CE3 4Å; W27-W51 AromaticContact CE3-CG 3.7Å; W27-W51 HydrophobicContact CE3-CG 3.7Å; W27-W51 HydrophobicContact CH2-CB 4.43Å; W27-W51 HydrophobicContact CZ3-CB 3.51Å; W27-W51 AromaticContact CZ3-CD1 3.92Å; W27-W51 HydrophobicContact CZ3-CD2 4.12Å; W27-W51 AromaticContact CZ3-CG 3.57Å; W27-W51 HydrophobicContact CZ3-CG 3.57Å; W30-W51 HydrophobicContact CB-CZ2 4.43Å; W30-W51 AromaticContact CD1-NE1 3.54Å; W30-W51 AromaticContact CD2-CD1 3.73Å; W30-W51 AromaticContact CD2-NE1 3.53Å; W30-W51 AromaticContact CE2-CD1 3.8Å; W30-W51 AromaticContact CE2-NE1 3.82Å; W30-W51 AromaticContact CG-NE1 3.41Å; W30-W51 AromaticContact NE1-NE1 3.75Å; R47-W51 WeakPolarHBondContact O-CB 3.22Å; R47-W51 PolarHBondContact O-N 3.25Å; R48-W51 WeakPolarHBondContact O-CB 3.37Å; R48-W51 PolarHBondContact O-N 3.24Å; R48-W51 VanDerWaalsContact O-N 3.17Å; W51-K53 VanDerWaalsContact C-N 3.34Å; W51-K53 PolarHBondContact O-N 3.12Å; W51-N54 PolarHBondContact O-N 2.71Å; W51-M55 HydrophobicContact CD2-CG 4Å; W51-M55 HydrophobicContact CE3-CG 4.16Å; W51-M55 HydrophobicContact CH2-CG 3.83Å; W51-M55 HydrophobicContact CH2-SD 4.41Å; W51-M55 HydrophobicContact CZ2-CE 4.44Å; W51-M55 HydrophobicContact CZ2-CG 3.69Å; W51-M55 HydrophobicContact CZ2-SD 3.9Å; W51-M55 HydrophobicContact CZ3-CG 4.08Å; W51-M55 WeakPolarHBondContact O-CG 3.28Å; W51-M55 PolarHBondContact O-N 2.86Å; W51-M76 HydrophobicContact CG-CE 4.3Å; W51-G80 VanDerWaalsContact CA-O 3.23Å; W51-G80 WeakPolarHBondContact CA-O 3.2Å
52	E	97.7	Very high	96.8	Very high	31 Å²	31	56.9 Å²	56.9	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-36.6	177	-69.1	-175.3	-165.6	0	0	112.4	R48 I50 N54 M55 R56	R48-E52 HydrophobicContact CG-CG 4.42Å; R48-E52 IonicContact CZ-OE1 3.75Å; R48-E52 IonicContact NE-OE1 3.59Å; R48-E52 PolarHBondContact NE-OE1 3.4Å; R48-E52 IonicContact NH2-OE1 3.84Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 2.85Å; I50-E52 PolarHBondContact O-N 3.28Å; E52-N54 VanDerWaalsContact C-N 3.33Å; E52-M55 PolarHBondContact O-N 2.79Å; E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 PolarHBondContact O-NH1 2.92Å; E52-R56 IonicContact OE2-CZ 4Å; E52-R56 IonicContact OE2-NH1 2.97Å; E52-R56 IonicContact OE2-NH2 3.85Å; E52-R56 PolarHBondContact OE2-NH2 2.87Å
53	K	97.9	Very high	97.4	Very high	144 Å²	144	56.6 Å²	56.6	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-44.2	174	-178.6	-173.2	174.9	-169.9	0	110.6	A49 I50 W51 R56 M57	A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 3.27Å; I50-K53 WeakPolarHBondContact O-CB 3.37Å; I50-K53 PolarHBondContact O-N 3Å; I50-K53 VanDerWaalsContact O-N 3.16Å; W51-K53 VanDerWaalsContact C-N 3.34Å; W51-K53 PolarHBondContact O-N 3.12Å; K53-R56 PolarHBondContact O-N 2.77Å; K53-M57 PolarHBondContact O-N 3.32Å; K53-M57 VanDerWaalsContact O-N 3.13Å
54	N	98.6	Very high	97.7	Very high	14 Å²	14	57.2 Å²	57.2	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-41.6	177.6	-73.1	-26	0	0	0	111.8	I50 W51 E52 R56 M57 I58 M76 G80 M82 F258	I50-N54 PolarHBondContact O-N 3.22Å; I50-N54 PolarHBondContact O-ND2 2.71Å; W51-N54 PolarHBondContact O-N 2.71Å; E52-N54 VanDerWaalsContact C-N 3.33Å; N54-R56 PolarHBondContact O-N 3.36Å; N54-M57 PolarHBondContact O-N 3.17Å; N54-I58 WeakPolarHBondContact O-CD1 3.32Å; N54-I58 VanDerWaalsContact O-CG1 3.27Å; N54-I58 WeakPolarHBondContact O-CG1 3.14Å; N54-I58 PolarHBondContact O-N 2.86Å; N54-M76 HydrophobicContact CB-CE 4.08Å; N54-G80 PolarHBondContact ND2-O 2.74Å; N54-M82 PolarHBondContact ND2-O 3.45Å; N54-M82 VanDerWaalsContact ND2-O 3.07Å; N54-F258 HydrophobicContact CB-CE2 3.76Å; N54-F258 HydrophobicContact CB-CZ 3.71Å; N54-F258 VanDerWaalsContact CG-CE2 3.48Å; N54-F258 WeakPolarHBondContact ND2-CZ 3.21Å
55	M	97.8	Very high	97.8	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-50	172.9	-77.2	-64.1	-68.7	0	0	112.1	W51 E52 M57 I58 E59 M76	W51-M55 HydrophobicContact CD2-CG 4Å; W51-M55 HydrophobicContact CE3-CG 4.16Å; W51-M55 HydrophobicContact CH2-CG 3.83Å; W51-M55 HydrophobicContact CH2-SD 4.41Å; W51-M55 HydrophobicContact CZ2-CE 4.44Å; W51-M55 HydrophobicContact CZ2-CG 3.69Å; W51-M55 HydrophobicContact CZ2-SD 3.9Å; W51-M55 HydrophobicContact CZ3-CG 4.08Å; W51-M55 WeakPolarHBondContact O-CG 3.28Å; W51-M55 PolarHBondContact O-N 2.86Å; E52-M55 PolarHBondContact O-N 2.79Å; M55-M57 VanDerWaalsContact C-N 3.3Å; M55-M57 PolarHBondContact O-N 3.43Å; M55-I58 PolarHBondContact O-N 2.68Å; M55-E59 WeakPolarHBondContact O-CG 3.18Å; M55-E59 PolarHBondContact O-N 3.33Å; M55-M76 HydrophobicContact CB-CE 4.43Å; M55-M76 HydrophobicContact CG-CE 3.53Å; M55-M76 HydrophobicContact SD-CB 3.86Å; M55-M76 HydrophobicContact SD-CE 3.43Å; M55-M76 WeakPolarHBondContact SD-CE 3.48Å; M55-M76 HydrophobicContact SD-CG 3.99Å
56	R	97.8	Very high	98	Very high	120 Å²	120	56.3 Å²	56.3	45%	0.453	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-39.3	179.1	-68.3	176.3	-165	102.8	2.2	112.1	M18 E52 K53 N54 A60	M18-R56 HydrophobicContact CE-CG 3.94Å; E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 PolarHBondContact O-NH1 2.92Å; E52-R56 IonicContact OE2-CZ 4Å; E52-R56 IonicContact OE2-NH1 2.97Å; E52-R56 IonicContact OE2-NH2 3.85Å; E52-R56 PolarHBondContact OE2-NH2 2.87Å; K53-R56 PolarHBondContact O-N 2.77Å; N54-R56 PolarHBondContact O-N 3.36Å; R56-A60 WeakPolarHBondContact O-CB 3.45Å; R56-A60 PolarHBondContact O-N 3.2Å
57	M	98.3	Very high	98.1	Very high	55 Å²	55	58.2 Å²	58.2	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-45.2	176.1	-178.2	-78	-64.9	0	0	111.5	K53 N54 M55 A60 H61 L74 P254 F258	K53-M57 PolarHBondContact O-N 3.32Å; K53-M57 VanDerWaalsContact O-N 3.13Å; N54-M57 PolarHBondContact O-N 3.17Å; M55-M57 VanDerWaalsContact C-N 3.3Å; M55-M57 PolarHBondContact O-N 3.43Å; M57-A60 PolarHBondContact O-N 3.49Å; M57-H61 WeakPolarHBondContact O-CB 3.49Å; M57-H61 PolarHBondContact O-N 2.9Å; M57-L74 HydrophobicContact CE-CD1 3.97Å; M57-L74 HydrophobicContact SD-CD1 3.52Å; M57-L74 VanDerWaalsContact SD-CD1 3.52Å; M57-P254 HydrophobicContact CE-CB 3.89Å; M57-F258 HydrophobicContact CE-CD2 3.55Å; M57-F258 HydrophobicContact CE-CE2 4.19Å; M57-F258 HydrophobicContact CE-CG 4.41Å
58	I	98.8	Very high	98.1	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.056	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-47.4	177.3	-70.4	161.7	0	0	0	110.8	N54 M55 H61 N62 L74 M76 F258	N54-I58 WeakPolarHBondContact O-CD1 3.32Å; N54-I58 VanDerWaalsContact O-CG1 3.27Å; N54-I58 WeakPolarHBondContact O-CG1 3.14Å; N54-I58 PolarHBondContact O-N 2.86Å; M55-I58 PolarHBondContact O-N 2.68Å; I58-H61 PolarHBondContact O-N 2.71Å; I58-N62 WeakPolarHBondContact O-CB 3.46Å; I58-N62 VanDerWaalsContact O-CG 3.27Å; I58-N62 PolarHBondContact O-N 2.65Å; I58-N62 PolarHBondContact O-ND2 3Å; I58-L74 HydrophobicContact CB-CB 4.35Å; I58-L74 HydrophobicContact CG1-CB 4.02Å; I58-L74 HydrophobicContact CG1-CD1 4.41Å; I58-L74 HydrophobicContact CG2-CB 4.01Å; I58-M76 HydrophobicContact CD1-CB 4.24Å; I58-M76 HydrophobicContact CD1-CE 3.88Å; I58-F258 HydrophobicContact CD1-CB 4.07Å; I58-F258 HydrophobicContact CD1-CD1 3.82Å; I58-F258 HydrophobicContact CD1-CD2 4.3Å; I58-F258 HydrophobicContact CD1-CE1 4.36Å; I58-F258 HydrophobicContact CD1-CG 3.78Å; I58-F258 HydrophobicContact CG1-CB 4.05Å; I58-F258 HydrophobicContact CG1-CD2 4.45Å; I58-F258 HydrophobicContact CG1-CG 4.12Å
59	E	98	Very high	98.1	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-48.4	178.8	-74.3	176.2	-174.3	0	0	111.8	M55 N62 Q63	M55-E59 WeakPolarHBondContact O-CG 3.18Å; M55-E59 PolarHBondContact O-N 3.33Å; E59-N62 PolarHBondContact O-N 2.94Å; E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.48Å
60	A	98.4	Very high	98.2	Very high	46 Å²	46	62.5 Å²	62.5	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-47.7	178.4	0	0	0	0	0	111.7	R56 M57 N62 Q63 E64	R56-A60 WeakPolarHBondContact O-CB 3.45Å; R56-A60 PolarHBondContact O-N 3.2Å; M57-A60 PolarHBondContact O-N 3.49Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 3.41Å; A60-Q63 WeakPolarHBondContact O-CB 3.44Å; A60-Q63 PolarHBondContact O-N 3.41Å; A60-E64 PolarHBondContact O-N 2.73Å; A60-E64 VanDerWaalsContact O-N 3.14Å
61	H	98.7	Very high	98.1	Very high	16 Å²	16	63 Å²	63	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-43.2	176.7	174.3	-79.4	0	0	0	111.8	M57 I58 Q63 E64 A65 H70 Y72 L74	M57-H61 WeakPolarHBondContact O-CB 3.49Å; M57-H61 PolarHBondContact O-N 2.9Å; I58-H61 PolarHBondContact O-N 2.71Å; H61-Q63 VanDerWaalsContact C-N 3.33Å; H61-Q63 PolarHBondContact O-N 2.95Å; H61-E64 WeakPolarHBondContact O-CB 3.49Å; H61-E64 PolarHBondContact O-N 2.73Å; H61-A65 WeakPolarHBondContact O-CB 3.45Å; H61-A65 PolarHBondContact O-N 2.8Å; H61-H70 AromaticContact CD2-CD2 3.57Å; H61-H70 AromaticContact CD2-NE2 3.76Å; H61-H70 AromaticContact CE1-CD2 3.99Å; H61-H70 AromaticContact NE2-CD2 3.5Å; H61-H70 AromaticContact NE2-CG 3.49Å; H61-Y72 AromaticContact CE1-CD2 3.85Å; H61-Y72 AromaticContact CE1-CE2 3.67Å; H61-Y72 AromaticContact CE1-CZ 3.95Å; H61-Y72 PolarHBondContact CE1-O 3.21Å; H61-Y72 VanDerWaalsContact CE1-O 3.29Å; H61-Y72 AromaticContact NE2-CD2 3.97Å; H61-Y72 AromaticContact NE2-CE1 3.81Å; H61-Y72 AromaticContact NE2-CE2 3.36Å; H61-Y72 WeakPolarHBondContact NE2-CE2 3.11Å; H61-Y72 AromaticContact NE2-CZ 3.24Å; H61-Y72 PolarHBondContact NE2-OH 3.24Å; H61-L74 HydrophobicContact CB-CD1 3.75Å; H61-L74 HydrophobicContact CB-CG 4.37Å; H61-L74 WeakPolarHBondContact ND1-CG 3.14Å
62	N	98.7	Very high	98.1	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-70.7	-28.6	-178.3	-73.6	-14.1	0	0	0	112.8	I58 E59 A60 A65 A66 E73 L74	I58-N62 WeakPolarHBondContact O-CB 3.46Å; I58-N62 VanDerWaalsContact O-CG 3.27Å; I58-N62 PolarHBondContact O-N 2.65Å; I58-N62 PolarHBondContact O-ND2 3Å; E59-N62 PolarHBondContact O-N 2.94Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 3.41Å; N62-A65 PolarHBondContact O-N 2.94Å; N62-A66 WeakPolarHBondContact O-CB 3.35Å; N62-A66 PolarHBondContact O-N 3.38Å; N62-E73 WeakPolarHBondContact OD1-CA 3.41Å; N62-L74 PolarHBondContact ND2-O 2.82Å; N62-L74 PolarHBondContact OD1-N 2.86Å
63	Q	98.6	Very high	98.2	Very high	130 Å²	130	65.2 Å²	65.2	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-63.8	-44.5	168.3	-70.2	172.4	9.9	0	0	111.2	E59 A60 H61 A65 A66 L67	E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.48Å; A60-Q63 WeakPolarHBondContact O-CB 3.44Å; A60-Q63 PolarHBondContact O-N 3.41Å; H61-Q63 VanDerWaalsContact C-N 3.33Å; H61-Q63 PolarHBondContact O-N 2.95Å; Q63-A65 PolarHBondContact O-N 2.82Å; Q63-A66 WeakPolarHBondContact O-CB 3.49Å; Q63-A66 PolarHBondContact O-N 3.28Å; Q63-L67 WeakPolarHBondContact O-CG 3.49Å; Q63-L67 PolarHBondContact O-N 3.47Å
64	E	98.5	Very high	98.2	Very high	80 Å²	80	58.5 Å²	58.5	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174.9	-66.6	176.5	169.4	0	0	112.2	A60 H61 A66 L67 G68 M69 H70	A60-E64 PolarHBondContact O-N 2.73Å; A60-E64 VanDerWaalsContact O-N 3.14Å; H61-E64 WeakPolarHBondContact O-CB 3.49Å; H61-E64 PolarHBondContact O-N 2.73Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 2.95Å; E64-L67 CarbonylContact O-C 3.5Å; E64-L67 WeakPolarHBondContact O-CB 3.49Å; E64-L67 PolarHBondContact O-N 3.47Å; E64-L67 VanDerWaalsContact O-N 3.16Å; E64-G68 PolarHBondContact O-N 3.3Å; E64-M69 HydrophobicContact CB-CB 4.24Å; E64-M69 HydrophobicContact CB-SD 4.18Å; E64-M69 HydrophobicContact CG-SD 4.25Å; E64-M69 WeakPolarHBondContact O-CB 3.32Å; E64-M69 PolarHBondContact O-N 3.14Å; E64-H70 IonicContact OE2-CD2 3.62Å; E64-H70 IonicContact OE2-CE1 3.71Å; E64-H70 IonicContact OE2-NE2 2.71Å; E64-H70 PolarHBondContact OE2-NE2 2.71Å
65	A	98.3	Very high	98.2	Very high	15 Å²	15	62.7 Å²	62.7	12%	0.124	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-40.7	174.6	0	0	0	0	0	111.8	H61 N62 Q63 L67 G68 H70 Y72 E73	H61-A65 WeakPolarHBondContact O-CB 3.45Å; H61-A65 PolarHBondContact O-N 2.8Å; N62-A65 PolarHBondContact O-N 2.94Å; Q63-A65 PolarHBondContact O-N 2.82Å; A65-L67 PolarHBondContact O-N 3.41Å; A65-G68 WeakPolarHBondContact O-CA 3.48Å; A65-G68 PolarHBondContact O-N 2.88Å; A65-H70 HydrophobicContact CB-CB 4.02Å; A65-Y72 WeakPolarHBondContact CB-O 3.19Å; A65-E73 HydrophobicContact CB-CG 4.34Å
66	A	98.3	Very high	98.3	Very high	90 Å²	90	63.3 Å²	63.3	74%	0.744	35%	0.345	S	S	*	.	H	α-helix	trans	-63.7	-28.5	175.2	0	0	0	0	0	112.7	N62 Q63 E64 G68	N62-A66 WeakPolarHBondContact O-CB 3.35Å; N62-A66 PolarHBondContact O-N 3.38Å; Q63-A66 WeakPolarHBondContact O-CB 3.49Å; Q63-A66 PolarHBondContact O-N 3.28Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 2.95Å; A66-G68 PolarHBondContact O-N 2.94Å
67	L	98.1	Very high	98.3	Very high	142 Å²	142	57.9 Å²	57.9	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	0.3	171.7	-61.7	174.5	0	0	0	113.2	Q63 E64 A65 M69	Q63-L67 WeakPolarHBondContact O-CG 3.49Å; Q63-L67 PolarHBondContact O-N 3.47Å; E64-L67 CarbonylContact O-C 3.5Å; E64-L67 WeakPolarHBondContact O-CB 3.49Å; E64-L67 PolarHBondContact O-N 3.47Å; E64-L67 VanDerWaalsContact O-N 3.16Å; A65-L67 PolarHBondContact O-N 3.41Å; L67-M69 VanDerWaalsContact C-N 3.34Å; L67-M69 HydrophobicContact CB-CG 4.38Å
68	G	96.8	Very high	98.3	Very high	62 Å²	62	56.5 Å²	56.5	64%	0.639	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	11.9	178.1	0	0	0	0	0	114.7	E64 A65 A66	E64-G68 PolarHBondContact O-N 3.3Å; A65-G68 WeakPolarHBondContact O-CA 3.48Å; A65-G68 PolarHBondContact O-N 2.88Å; A66-G68 PolarHBondContact O-N 2.94Å
69	M	97.6	Very high	98.3	Very high	127 Å²	127	56 Å²	56	63%	0.626	32%	0.316	S	S	*	.	S	Bend	trans	-72.6	-34.8	178.2	-61.9	178.2	60	0	0	111.4	E64 L67	E64-M69 HydrophobicContact CB-CB 4.24Å; E64-M69 HydrophobicContact CB-SD 4.18Å; E64-M69 HydrophobicContact CG-SD 4.25Å; E64-M69 WeakPolarHBondContact O-CB 3.32Å; E64-M69 PolarHBondContact O-N 3.14Å; L67-M69 VanDerWaalsContact C-N 3.34Å; L67-M69 HydrophobicContact CB-CG 4.38Å
70	H	97.8	Very high	98.3	Very high	52 Å²	52	52.3 Å²	52.3	24%	0.241	30%	0.298	C	S	.	.			trans	-110.2	152.9	175.9	-56.5	-56.4	0	0	0	111.7	H61 E64 A65 Y72	H61-H70 AromaticContact CD2-CD2 3.57Å; H61-H70 AromaticContact CD2-NE2 3.76Å; H61-H70 AromaticContact CE1-CD2 3.99Å; H61-H70 AromaticContact NE2-CD2 3.5Å; H61-H70 AromaticContact NE2-CG 3.49Å; E64-H70 IonicContact OE2-CD2 3.62Å; E64-H70 IonicContact OE2-CE1 3.71Å; E64-H70 IonicContact OE2-NE2 2.71Å; E64-H70 PolarHBondContact OE2-NE2 2.71Å; A65-H70 HydrophobicContact CB-CB 4.02Å; H70-Y72 HydrophobicContact CB-CD1 4.27Å; H70-Y72 HydrophobicContact CB-CE1 4.23Å
71	S	97.6	Very high	98.3	Very high	39 Å²	39	50.3 Å²	50.3	27%	0.273	28%	0.281	S	S	.	.	S	Bend	trans	-100.4	11.5	174.8	52.6	0	0	0	0	114.4	G262 I263	S71-G262 CarbonylContact O-C 3.53Å; S71-G262 WeakPolarHBondContact O-CA 3.43Å; S71-I263 CarbonylContact C-O 3.56Å; S71-I263 PolarHBondContact O-N 3.04Å; S71-I263 PolarHBondContact OG-O 2.93Å
72	Y	98.7	Very high	98.3	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	166.6	-177.1	66.6	-76	0	0	0	109.9	H61 A65 H70 L74 S255 Y259 R261 Y264	H61-Y72 AromaticContact CE1-CD2 3.85Å; H61-Y72 AromaticContact CE1-CE2 3.67Å; H61-Y72 AromaticContact CE1-CZ 3.95Å; H61-Y72 PolarHBondContact CE1-O 3.21Å; H61-Y72 VanDerWaalsContact CE1-O 3.29Å; H61-Y72 AromaticContact NE2-CD2 3.97Å; H61-Y72 AromaticContact NE2-CE1 3.81Å; H61-Y72 AromaticContact NE2-CE2 3.36Å; H61-Y72 WeakPolarHBondContact NE2-CE2 3.11Å; H61-Y72 AromaticContact NE2-CZ 3.24Å; H61-Y72 PolarHBondContact NE2-OH 3.24Å; A65-Y72 WeakPolarHBondContact CB-O 3.19Å; H70-Y72 HydrophobicContact CB-CD1 4.27Å; H70-Y72 HydrophobicContact CB-CE1 4.23Å; Y72-L74 HydrophobicContact CD2-CD2 4.03Å; Y72-L74 HydrophobicContact CE2-CD2 3.74Å; Y72-S255 WeakPolarHBondContact OH-CB 3.37Å; Y72-Y259 HydrophobicContact CD2-CD2 4.08Å; Y72-R261 CarbonylContact C-O 3.44Å; Y72-R261 WeakPolarHBondContact CA-O 3.49Å; Y72-R261 WeakPolarHBondContact CB-O 3.4Å; Y72-Y264 AromaticContact CD2-CD2 3.84Å; Y72-Y264 HydrophobicContact CD2-CD2 3.84Å; Y72-Y264 HydrophobicContact CD2-CE2 4.47Å; Y72-Y264 HydrophobicContact CE1-CD2 4.33Å; Y72-Y264 AromaticContact CE2-CD2 3.55Å; Y72-Y264 HydrophobicContact CE2-CD2 3.55Å; Y72-Y264 AromaticContact CE2-CE2 3.75Å; Y72-Y264 HydrophobicContact CE2-CE2 3.75Å; Y72-Y264 HydrophobicContact CG-CD2 4.3Å; Y72-Y264 AromaticContact CZ-CD2 3.85Å; Y72-Y264 AromaticContact CZ-CE2 3.89Å
73	E	98.8	Very high	98.3	Very high	73 Å²	73	49.9 Å²	49.9	34%	0.341	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.7	179.4	-68.1	166.9	-164.4	0	0	108.7	N62 A65 H260 R261	N62-E73 WeakPolarHBondContact OD1-CA 3.41Å; A65-E73 HydrophobicContact CB-CG 4.34Å; E73-H260 WeakPolarHBondContact O-CB 3.41Å; E73-H260 PolarHBondContact O-N 3.47Å; E73-R261 HydrophobicContact CB-CG 4.37Å; E73-R261 PolarHBondContact N-O 3.44Å; E73-R261 PolarHBondContact O-N 2.83Å; E73-R261 IonicContact OE1-NH2 3.01Å; E73-R261 IonicContact OE2-CZ 3.56Å; E73-R261 IonicContact OE2-NE 2.68Å; E73-R261 PolarHBondContact OE2-NE 3.5Å; E73-R261 IonicContact OE2-NH2 3.47Å; E73-R261 PolarHBondContact OE2-NH2 3.49Å
74	L	98.9	Very high	98.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	155.7	176	-55.7	-177.9	0	0	0	110.6	M57 I58 H61 N62 Y72 S255 F258	M57-L74 HydrophobicContact CE-CD1 3.97Å; M57-L74 HydrophobicContact SD-CD1 3.52Å; M57-L74 VanDerWaalsContact SD-CD1 3.52Å; I58-L74 HydrophobicContact CB-CB 4.35Å; I58-L74 HydrophobicContact CG1-CB 4.02Å; I58-L74 HydrophobicContact CG1-CD1 4.41Å; I58-L74 HydrophobicContact CG2-CB 4.01Å; H61-L74 HydrophobicContact CB-CD1 3.75Å; H61-L74 HydrophobicContact CB-CG 4.37Å; H61-L74 WeakPolarHBondContact ND1-CG 3.14Å; N62-L74 PolarHBondContact ND2-O 2.82Å; N62-L74 PolarHBondContact OD1-N 2.86Å; Y72-L74 HydrophobicContact CD2-CD2 4.03Å; Y72-L74 HydrophobicContact CE2-CD2 3.74Å; L74-S255 WeakPolarHBondContact CD2-O 3.35Å; L74-F258 CarbonylContact C-O 3.5Å; L74-F258 WeakPolarHBondContact CA-O 3.32Å; L74-F258 HydrophobicContact CB-CB 4.13Å; L74-F258 WeakPolarHBondContact CB-O 3.39Å; L74-F258 HydrophobicContact CD1-CB 4.49Å; L74-F258 HydrophobicContact CD2-CB 4.32Å; L74-F258 WeakPolarHBondContact CD2-O 3.23Å
75	E	98.6	Very high	98.1	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	27%	0.266	S	S	.	.			trans	-144.3	144.9	172.9	-171	178.6	-131.5	0	0	109.9	N77 F258 H260	E75-N77 PolarHBondContact O-N 2.77Å; E75-F258 PolarHBondContact N-O 3.37Å; E75-H260 HydrophobicContact CB-CB 3.54Å; E75-H260 IonicContact OE1-CE1 3.7Å; E75-H260 IonicContact OE2-CE1 2.86Å; E75-H260 PolarHBondContact OE2-CE1 2.94Å; E75-H260 IonicContact OE2-CG 2.69Å; E75-H260 IonicContact OE2-ND1 2.71Å; E75-H260 PolarHBondContact OE2-ND1 2.99Å; E75-H260 IonicContact OE2-NE2 3.17Å
76	M	98.6	Very high	98.1	Very high	33 Å²	33	47.3 Å²	47.3	16%	0.163	27%	0.268	C	S	.	.			trans	-62.9	131.7	172.1	-178.8	51.4	74.5	0	0	109.6	W51 N54 M55 I58 G80 F258	W51-M76 HydrophobicContact CG-CE 4.3Å; N54-M76 HydrophobicContact CB-CE 4.08Å; M55-M76 HydrophobicContact CB-CE 4.43Å; M55-M76 HydrophobicContact CG-CE 3.53Å; M55-M76 HydrophobicContact SD-CB 3.86Å; M55-M76 HydrophobicContact SD-CE 3.43Å; M55-M76 WeakPolarHBondContact SD-CE 3.48Å; M55-M76 HydrophobicContact SD-CG 3.99Å; I58-M76 HydrophobicContact CD1-CB 4.24Å; I58-M76 HydrophobicContact CD1-CE 3.88Å; M76-G80 WeakPolarHBondContact SD-CA 3.41Å; M76-F258 HydrophobicContact SD-CE1 3.97Å
77	N	98.5	Very high	98.1	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.032	23%	0.233	C	C	.	.			trans	-134.1	-169.5	-179.5	65.6	40.6	0	0	0	110.4	W30 E75 L79 G80 Q257	W30-N77 PolarHBondContact NE1-O 3.46Å; E75-N77 PolarHBondContact O-N 2.77Å; N77-L79 PolarHBondContact O-N 2.93Å; N77-L79 VanDerWaalsContact O-N 3.15Å; N77-L79 WeakPolarHBondContact OD1-CA 3.5Å; N77-L79 VanDerWaalsContact OD1-CB 3.24Å; N77-L79 WeakPolarHBondContact OD1-CB 3.25Å; N77-L79 PolarHBondContact OD1-N 3.29Å; N77-G80 PolarHBondContact O-N 2.04Å; N77-G80 VanDerWaalsContact O-N 3.09Å; N77-Q257 PolarHBondContact ND2-O 3.33Å
78	H	98.4	Very high	98	Very high	25 Å²	25	37.2 Å²	37.2	12%	0.116	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.6	-178.9	65.1	-83.8	0	0	0	113.8	H34 R36 G80 W299	H34-H78 WeakPolarHBondContact CD2-CA 3.48Å; H34-H78 WeakPolarHBondContact CD2-CB 3.43Å; R36-H78 PolarHBondContact NH2-O 2.99Å; H78-G80 PolarHBondContact O-N 2.87Å; H78-W299 PolarHBondContact CE1-O 2.95Å
79	L	98.4	Very high	97.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.3	177.8	-49.6	176.6	0	0	0	113	N77 D81 M82 V87 M91 Q257 W299	N77-L79 PolarHBondContact O-N 2.93Å; N77-L79 VanDerWaalsContact O-N 3.15Å; N77-L79 WeakPolarHBondContact OD1-CA 3.5Å; N77-L79 VanDerWaalsContact OD1-CB 3.24Å; N77-L79 WeakPolarHBondContact OD1-CB 3.25Å; N77-L79 PolarHBondContact OD1-N 3.29Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 3.13Å; L79-M82 HydrophobicContact CD2-SD 4.12Å; L79-M82 PolarHBondContact O-N 2.94Å; L79-M82 VanDerWaalsContact O-N 3.09Å; L79-V87 HydrophobicContact CB-CG2 4.26Å; L79-V87 HydrophobicContact CD1-CG1 4.2Å; L79-V87 HydrophobicContact CD1-CG2 4.24Å; L79-V87 HydrophobicContact CD2-CG2 4.47Å; L79-M91 HydrophobicContact CD2-CE 4.09Å; L79-M91 HydrophobicContact CD2-SD 3.38Å; L79-M91 WeakPolarHBondContact CD2-SD 3.48Å; L79-Q257 HydrophobicContact CB-CG 4.04Å; L79-Q257 HydrophobicContact CD1-CG 4.05Å; L79-Q257 PolarHBondContact O-NE2 3.04Å; L79-W299 HydrophobicContact CD1-CE3 4Å; L79-W299 HydrophobicContact CD1-CZ3 4.3Å
80	G	98.3	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.5	-173.1	0	0	0	0	0	115.7	W51 N54 M76 N77 H78 M82	W51-G80 VanDerWaalsContact CA-O 3.23Å; W51-G80 WeakPolarHBondContact CA-O 3.2Å; N54-G80 PolarHBondContact ND2-O 2.74Å; M76-G80 WeakPolarHBondContact SD-CA 3.41Å; N77-G80 PolarHBondContact O-N 2.04Å; N77-G80 VanDerWaalsContact O-N 3.09Å; H78-G80 PolarHBondContact O-N 2.87Å; G80-M82 VanDerWaalsContact C-N 3.34Å
81	D	98.2	Very high	97.7	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.027	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.6	-178	67.7	-33.6	0	0	0	113.9	W27 W30 R36 Y38 R47 L79	W27-D81 HydrophobicContact CH2-CB 4.32Å; W27-D81 HydrophobicContact CZ3-CB 4.48Å; W30-D81 HydrophobicContact CH2-CB 3.64Å; W30-D81 VanDerWaalsContact CH2-CG 3.48Å; W30-D81 WeakPolarHBondContact CH2-OD1 3.43Å; W30-D81 HydrophobicContact CZ3-CB 4.04Å; R36-D81 IonicContact CZ-OD1 3.53Å; R36-D81 IonicContact NE-OD1 2.85Å; R36-D81 IonicContact NE-OD2 3.76Å; R36-D81 IonicContact NH2-OD1 3.04Å; Y38-D81 PolarHBondContact OH-OD2 2.55Å; Y38-D81 VanDerWaalsContact OH-OD2 3.04Å; R47-D81 HydrophobicContact CB-CB 4.15Å; R47-D81 WeakPolarHBondContact CD-O 3.48Å; R47-D81 PolarHBondContact NH1-O 2.88Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 3.13Å
82	M	98.4	Very high	97.7	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.074	18%	0.175	C	C	.	.	S	Bend	trans	-110.9	146.2	179.6	-60.9	179.6	67.8	0	0	111.3	N54 L79 G80 E86 V87 K90 Q257	N54-M82 PolarHBondContact ND2-O 3.45Å; N54-M82 VanDerWaalsContact ND2-O 3.07Å; L79-M82 HydrophobicContact CD2-SD 4.12Å; L79-M82 PolarHBondContact O-N 2.94Å; L79-M82 VanDerWaalsContact O-N 3.09Å; G80-M82 VanDerWaalsContact C-N 3.34Å; M82-E86 WeakPolarHBondContact CA-OE2 3.42Å; M82-E86 HydrophobicContact CB-CB 4.34Å; M82-E86 HydrophobicContact CE-CB 3.94Å; M82-V87 HydrophobicContact CB-CG2 3.83Å; M82-V87 HydrophobicContact CE-CG2 4.05Å; M82-V87 HydrophobicContact SD-CG2 4.28Å; M82-K90 HydrophobicContact CE-CD 4.08Å; M82-Q257 PolarHBondContact O-NE2 3.46Å
83	T	98.4	Very high	97.6	Very high	39 Å²	39	35.8 Å²	35.8	24%	0.239	18%	0.178	C	C	.	.			trans	-77.6	162.5	167.5	82.8	0	0	0	0	111.2	I50 E85 E86 V87	I50-T83 HydrophobicContact CD1-CG2 4.01Å; I50-T83 HydrophobicContact CG1-CG2 4.28Å; I50-T83 HydrophobicContact CG2-CG2 4.22Å; T83-E85 WeakPolarHBondContact CB-OE2 3.35Å; T83-E85 PolarHBondContact O-N 3.17Å; T83-E85 PolarHBondContact OG1-N 3.04Å; T83-E85 PolarHBondContact OG1-OE2 3.42Å; T83-E86 PolarHBondContact N-OE2 3.42Å; T83-E86 PolarHBondContact O-N 3.04Å; T83-E86 PolarHBondContact OG1-N 3.01Å; T83-V87 WeakPolarHBondContact O-CG2 3.38Å; T83-V87 PolarHBondContact O-N 3.04Å
84	S	96.8	Very high	97.5	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.119	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-38.9	173.5	27.4	0	0	0	0	112.3	V87 A88 T252	S84-V87 PolarHBondContact O-N 3.03Å; S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 2.76Å; S84-T252 WeakPolarHBondContact CB-O 2.86Å
85	E	96.9	Very high	97.4	Very high	121 Å²	121	36.8 Å²	36.8	57%	0.565	19%	0.185	S	C	*	.	H	α-helix	trans	-68.9	-43.1	-179.7	-56.9	69.9	-144.7	0	0	110.7	T83 V87 A88 E89	T83-E85 WeakPolarHBondContact CB-OE2 3.35Å; T83-E85 PolarHBondContact O-N 3.17Å; T83-E85 PolarHBondContact OG1-N 3.04Å; T83-E85 PolarHBondContact OG1-OE2 3.42Å; E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 3.32Å; E85-A88 PolarHBondContact O-N 3.2Å; E85-E89 VanDerWaalsContact O-CB 3.32Å; E85-E89 WeakPolarHBondContact O-CB 3.39Å; E85-E89 PolarHBondContact O-N 3.3Å
86	E	97.8	Very high	97	Very high	34 Å²	34	35.3 Å²	35.3	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-38	175	-69.6	-176.5	108.8	0	0	112	R47 M82 T83 K90	R47-E86 IonicContact CZ-OE1 2.94Å; R47-E86 IonicContact CZ-OE2 2.72Å; R47-E86 VanDerWaalsContact NH1-CD 3.3Å; R47-E86 IonicContact NH1-OE1 2.68Å; R47-E86 PolarHBondContact NH1-OE1 2.76Å; R47-E86 IonicContact NH1-OE2 3.8Å; R47-E86 PolarHBondContact NH1-OE2 3.4Å; R47-E86 IonicContact NH2-OE1 3.92Å; R47-E86 PolarHBondContact NH2-OE1 3.26Å; M82-E86 WeakPolarHBondContact CA-OE2 3.42Å; M82-E86 HydrophobicContact CB-CB 4.34Å; M82-E86 HydrophobicContact CE-CB 3.94Å; T83-E86 PolarHBondContact N-OE2 3.42Å; T83-E86 PolarHBondContact O-N 3.04Å; T83-E86 PolarHBondContact OG1-N 3.01Å; E86-K90 VanDerWaalsContact O-CB 3.31Å; E86-K90 WeakPolarHBondContact O-CB 3.45Å; E86-K90 WeakPolarHBondContact O-CG 3.45Å; E86-K90 PolarHBondContact O-N 2.98Å; E86-K90 IonicContact OE1-NZ 3.83Å
87	V	97.9	Very high	96.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-45.2	176.1	172.9	0	0	0	0	110.8	L79 M82 T83 S84 E85 E89 K90 M91 Q257 W299	L79-V87 HydrophobicContact CB-CG2 4.26Å; L79-V87 HydrophobicContact CD1-CG1 4.2Å; L79-V87 HydrophobicContact CD1-CG2 4.24Å; L79-V87 HydrophobicContact CD2-CG2 4.47Å; M82-V87 HydrophobicContact CB-CG2 3.83Å; M82-V87 HydrophobicContact CE-CG2 4.05Å; M82-V87 HydrophobicContact SD-CG2 4.28Å; T83-V87 WeakPolarHBondContact O-CG2 3.38Å; T83-V87 PolarHBondContact O-N 3.04Å; S84-V87 PolarHBondContact O-N 3.03Å; E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 3.32Å; V87-E89 VanDerWaalsContact C-N 3.34Å; V87-E89 PolarHBondContact O-N 3.38Å; V87-K90 PolarHBondContact O-N 2.82Å; V87-M91 HydrophobicContact CG1-CB 4.36Å; V87-M91 WeakPolarHBondContact O-CA 3.08Å; V87-M91 WeakPolarHBondContact O-CB 3.36Å; V87-M91 PolarHBondContact O-N 2.86Å; V87-Q257 HydrophobicContact CG2-CG 4.14Å; V87-W299 HydrophobicContact CG1-CH2 3.81Å; V87-W299 HydrophobicContact CG1-CZ2 4Å; V87-W299 HydrophobicContact CG1-CZ3 4.31Å
88	A	95.7	Very high	95.2	Very high	17 Å²	17	44.5 Å²	44.5	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-46.3	176.3	0	0	0	0	0	111	S84 E85 T92	S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 2.76Å; E85-A88 PolarHBondContact O-N 3.2Å; A88-T92 WeakPolarHBondContact O-CB 3.35Å; A88-T92 PolarHBondContact O-N 3Å; A88-T92 PolarHBondContact O-OG1 2.95Å
89	E	95.3	Very high	93.8	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	27%	0.266	S	S	*	.	H	α-helix	trans	-65.1	-43.8	-179.5	-173.9	-176.8	177	0	0	112.9	E85 V87	E85-E89 VanDerWaalsContact O-CB 3.32Å; E85-E89 WeakPolarHBondContact O-CB 3.39Å; E85-E89 PolarHBondContact O-N 3.3Å; V87-E89 VanDerWaalsContact C-N 3.34Å; V87-E89 PolarHBondContact O-N 3.38Å
90	K	94.8	Very high	92.6	Very high	79 Å²	79	53.1 Å²	53.1	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-97	-24.6	-169.6	-63.7	175.5	-178.7	171	0	114.6	M82 E86 V87 S135 C136	M82-K90 HydrophobicContact CE-CD 4.08Å; E86-K90 VanDerWaalsContact O-CB 3.31Å; E86-K90 WeakPolarHBondContact O-CB 3.45Å; E86-K90 WeakPolarHBondContact O-CG 3.45Å; E86-K90 PolarHBondContact O-N 2.98Å; E86-K90 IonicContact OE1-NZ 3.83Å; V87-K90 PolarHBondContact O-N 2.82Å; K90-S135 CarbonylContact O-C 3.19Å; K90-S135 WeakPolarHBondContact O-CA 3.49Å; K90-C136 PolarHBondContact O-N 3.41Å
91	M	97	Very high	91.1	Very high	7 Å²	7	61 Å²	61	3%	0.034	31%	0.313	C	S	.	.	H	α-helix	trans	-126.6	8.3	-169	-54	-168.8	68.8	0	0	113.4	L79 V87 Q133 W299	L79-M91 HydrophobicContact CD2-CE 4.09Å; L79-M91 HydrophobicContact CD2-SD 3.38Å; L79-M91 WeakPolarHBondContact CD2-SD 3.48Å; V87-M91 HydrophobicContact CG1-CB 4.36Å; V87-M91 WeakPolarHBondContact O-CA 3.08Å; V87-M91 WeakPolarHBondContact O-CB 3.36Å; V87-M91 PolarHBondContact O-N 2.86Å; M91-Q133 VanDerWaalsContact C-NE2 3.32Å; M91-Q133 VanDerWaalsContact O-CD 3.23Å; M91-Q133 PolarHBondContact O-NE2 3.44Å; M91-Q133 PolarHBondContact O-OE1 3.08Å; M91-W299 HydrophobicContact CE-CB 4.49Å; M91-W299 HydrophobicContact CE-CG 4.3Å; M91-W299 PolarHBondContact O-NE1 2.58Å
92	T	97.4	Very high	89.8	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.055	33%	0.325	C	S	.	.			trans	-118.4	-169	162.9	81.1	0	0	0	0	108.7	A88 G137 A251 N275 H276 W299	A88-T92 WeakPolarHBondContact O-CB 3.35Å; A88-T92 PolarHBondContact O-N 3Å; A88-T92 PolarHBondContact O-OG1 2.95Å; T92-G137 WeakPolarHBondContact O-CA 3.25Å; T92-A251 HydrophobicContact CG2-CB 4.45Å; T92-N275 VanDerWaalsContact CB-O 3.27Å; T92-N275 WeakPolarHBondContact CB-O 3.4Å; T92-N275 PolarHBondContact OG1-O 3.02Å; T92-H276 HydrophobicContact CG2-CB 3.79Å; T92-W299 HydrophobicContact CG2-CZ2 3.97Å
93	G	96.4	Very high	88.3	Confident	10 Å²	10	67.2 Å²	67.2	10%	0.103	35%	0.347	C	S	.	.			trans	160.8	25.1	-176.2	0	0	0	0	0	113	L95 G137 C139 G179 G180 N275	G93-L95 PolarHBondContact O-N 2.84Å; G93-G137 WeakPolarHBondContact CA-O 3.29Å; G93-C139 PolarHBondContact N-SG 2.84Å; G93-G179 CarbonylContact O-C 3.58Å; G93-G179 WeakPolarHBondContact O-CA 3.01Å; G93-G180 PolarHBondContact O-N 2.83Å; G93-N275 PolarHBondContact N-O 3.29Å
94	L	97.9	Very high	87.4	Confident	8 Å²	8	70 Å²	70	4%	0.042	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-78.3	113.9	173.2	-176.2	54.5	0	0	0	108.4	G180 Y181 M182 I274 N275 A277 L324	L94-G180 WeakPolarHBondContact CA-O 3.42Å; L94-G180 WeakPolarHBondContact CD1-O 3.14Å; L94-Y181 HydrophobicContact CD1-CD2 3.5Å; L94-Y181 HydrophobicContact CD1-CE2 3.93Å; L94-M182 HydrophobicContact CD1-CE 4.38Å; L94-M182 HydrophobicContact CD1-SD 3.4Å; L94-M182 WeakPolarHBondContact CD1-SD 3.34Å; L94-I274 HydrophobicContact CD2-CG2 3.5Å; L94-N275 VanDerWaalsContact CB-C 3.42Å; L94-N275 WeakPolarHBondContact CB-O 3.42Å; L94-N275 PolarHBondContact N-O 2.86Å; L94-A277 HydrophobicContact CB-CB 4.29Å; L94-A277 HydrophobicContact CD1-CB 4.02Å; L94-A277 HydrophobicContact CD2-CB 4.08Å; L94-A277 HydrophobicContact CG-CB 4.39Å; L94-L324 HydrophobicContact CD2-CD1 4.09Å
95	L	95.8	Very high	86.7	Confident	90 Å²	90	71.9 Å²	71.9	47%	0.471	37%	0.368	S	S	.	.			trans	-110.6	119.2	175	-63.1	179.5	0	0	0	108.7	G93 P97 G180 Y181	G93-L95 PolarHBondContact O-N 2.84Å; L95-P97 WeakPolarHBondContact O-CD 3.25Å; L95-G180 PolarHBondContact N-O 3.02Å; L95-Y181 WeakPolarHBondContact O-CB 3.25Å; L95-Y181 WeakPolarHBondContact O-CD2 3.34Å
96	V	90.9	Very high	86.2	Confident	71 Å²	71	67 Å²	67	43%	0.43	35%	0.345	S	S	.	.			trans	-81.6	122.7	177.1	-174.8	0	0	0	0	108.8	Y181 L324	V96-Y181 HydrophobicContact CG2-CE2 4.48Å; V96-L324 HydrophobicContact CG2-CD1 3.56Å; V96-L324 HydrophobicContact CG2-CD2 4.43Å
97	P	84.4	Confident	85.5	Confident	40 Å²	40	69.5 Å²	69.5	26%	0.26	37%	0.371	S	S	.	.			trans	-60.8	138.9	178.8	-22.3	32.8	0	0	0	112	L95 D99 H100 Y181	L95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-D99 PolarHBondContact O-N 3.35Å; P97-H100 HydrophobicContact CB-CB 4.27Å; P97-H100 WeakPolarHBondContact O-CB 3.26Å; P97-H100 PolarHBondContact O-N 3.19Å; P97-Y181 HydrophobicContact CG-CD1 4.03Å; P97-Y181 HydrophobicContact CG-CG 4.09Å
98	M	74.3	Confident	84.5	Confident	192 Å²	192	74.2 Å²	74.2	95%	0.946	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-40	-178.8	-73.6	-170.3	-77.4	0	0	112.8	H100	M98-H100 PolarHBondContact O-N 3.41Å
99	D	69.7	Low	83.6	Confident	158 Å²	158	76 Å²	76	85%	0.845	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	37	-178.6	-64.9	-36.1	0	0	0	112.6	P97 E101	P97-D99 PolarHBondContact O-N 3.35Å; D99-E101 PolarHBondContact O-N 2.89Å
100	H	72.1	Confident	82.5	Confident	48 Å²	48	76.9 Å²	76.9	22%	0.222	40%	0.403	C	S	.	.			trans	-72.1	86.1	-176.6	-170.7	-64	0	0	0	112.5	P97 M98 R102 Y181 E226	P97-H100 HydrophobicContact CB-CB 4.27Å; P97-H100 WeakPolarHBondContact O-CB 3.26Å; P97-H100 PolarHBondContact O-N 3.19Å; M98-H100 PolarHBondContact O-N 3.41Å; H100-R102 PolarHBondContact O-N 3.1Å; H100-Y181 AromaticContact CD2-CE1 3.52Å; H100-Y181 AromaticContact NE2-CE1 3.38Å; H100-Y181 WeakPolarHBondContact NE2-CE1 3.36Å; H100-E226 IonicContact CE1-OE1 2.88Å; H100-E226 PolarHBondContact CE1-OE1 2.9Å; H100-E226 IonicContact CE1-OE2 2.84Å; H100-E226 PolarHBondContact CE1-OE2 3.33Å; H100-E226 IonicContact NE2-OE1 2.9Å
101	E	66.4	Low	81.7	Confident	167 Å²	167	77.2 Å²	77.2	78%	0.78	42%	0.415	S	S	*	.			trans	-75.8	114.9	167.2	-70.1	-163.2	168.8	0	0	111.2	D99 S103	D99-E101 PolarHBondContact O-N 2.89Å; E101-S103 PolarHBondContact O-N 3.09Å
102	R	71.3	Confident	81	Confident	71 Å²	71	77.4 Å²	77.4	27%	0.268	42%	0.417	S	S	.	.			trans	-73.4	69.3	177.1	-66.3	-170.7	-175	-143.1	-0.4	112.6	H100 T105 E226 K229 N323	H100-R102 PolarHBondContact O-N 3.1Å; R102-T105 PolarHBondContact O-OG1 2.97Å; R102-E226 WeakPolarHBondContact CA-OE2 3.47Å; R102-K229 VanDerWaalsContact NH1-CA 3.34Å; R102-K229 VanDerWaalsContact NH1-CB 3.26Å; R102-N323 PolarHBondContact NH1-O 2.81Å; R102-N323 VanDerWaalsContact NH1-O 3.14Å; R102-N323 PolarHBondContact NH2-O 3.3Å
103	S	66.8	Low	80.2	Confident	78 Å²	78	82.2 Å²	82.2	55%	0.545	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.8	-175.5	53.5	0	0	0	0	113.6	E101	E101-S103 PolarHBondContact O-N 3.09Å
104	F	79.6	Confident	79.8	Confident	97 Å²	97	90.2 Å²	90.2	43%	0.425	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	39.5	-175.9	-56.1	-70.8	0	0	0	113.6	M106 Y224 K225 E226	F104-M106 PolarHBondContact O-N 2.94Å; F104-Y224 HydrophobicContact CB-CD2 4.45Å; F104-Y224 HydrophobicContact CB-CE2 4.14Å; F104-Y224 HydrophobicContact CD2-CE1 4.4Å; F104-Y224 AromaticContact CD2-CE2 3.93Å; F104-Y224 HydrophobicContact CD2-CE2 3.93Å; F104-Y224 AromaticContact CD2-CZ 3.7Å; F104-Y224 HydrophobicContact CG-CE2 4.45Å; F104-K225 VanDerWaalsContact O-CA 3.3Å; F104-K225 WeakPolarHBondContact O-CA 3.46Å; F104-K225 VanDerWaalsContact O-CD 3.22Å; F104-K225 WeakPolarHBondContact O-CD 3.4Å; F104-E226 PolarHBondContact O-N 2.69Å
105	T	81.4	Confident	79.6	Confident	58 Å²	58	91.3 Å²	91.3	36%	0.356	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-63.5	136.5	179.8	-56.8	0	0	0	0	111.4	R102 A107 E226 P228	R102-T105 PolarHBondContact O-OG1 2.97Å; T105-A107 PolarHBondContact O-N 2.93Å; T105-E226 CarbonylContact C-O 3.56Å; T105-E226 WeakPolarHBondContact CA-O 3.37Å; T105-P228 HydrophobicContact CG2-CG 3.96Å
106	M	88.3	Confident	79.6	Confident	18 Å²	18	89.4 Å²	89.4	9%	0.089	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-60.5	126.4	172.3	-176.4	-171.7	96	0	0	109.2	F104 F108 K225 E226 A234 V237 A238 Y327	F104-M106 PolarHBondContact O-N 2.94Å; M106-F108 PolarHBondContact O-N 2.81Å; M106-K225 HydrophobicContact CB-CB 4.37Å; M106-E226 WeakPolarHBondContact CB-O 3.33Å; M106-E226 PolarHBondContact N-O 3Å; M106-A234 HydrophobicContact CE-CB 4.31Å; M106-V237 HydrophobicContact CE-CG1 4.27Å; M106-A238 HydrophobicContact SD-CB 4.05Å; M106-Y327 WeakPolarHBondContact CG-OH 3.36Å; M106-Y327 HydrophobicContact SD-CE1 4.01Å
107	A	82.4	Confident	79.9	Confident	86 Å²	86	94.3 Å²	94.3	71%	0.711	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.6	134.6	170.4	0	0	0	0	0	109.6	T105 D109	T105-A107 PolarHBondContact O-N 2.93Å; A107-D109 PolarHBondContact O-N 2.84Å
108	F	76.3	Confident	80.5	Confident	102 Å²	102	96 Å²	96	45%	0.447	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-67.6	121.1	175.3	-171.5	-99.2	0	0	0	109.6	M106 E110	M106-F108 PolarHBondContact O-N 2.81Å; F108-E110 HydrophobicContact CD1-CG 3.82Å; F108-E110 HydrophobicContact CE1-CG 4.16Å; F108-E110 PolarHBondContact O-N 2.94Å
109	D	76.6	Confident	81.7	Confident	55 Å²	55	87.2 Å²	87.2	29%	0.294	47%	0.467	S	S	.	.			trans	-86.9	92.1	177.9	-176.6	3.4	0	0	0	109.8	A107 S111 V112 K241	A107-D109 PolarHBondContact O-N 2.84Å; D109-S111 PolarHBondContact O-N 3.28Å; D109-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 WeakPolarHBondContact OD1-CB 3.38Å; D109-S111 PolarHBondContact OD1-N 2.92Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; D109-S111 PolarHBondContact OD2-OG 2.9Å; D109-V112 HydrophobicContact CB-CG2 4.12Å; D109-V112 PolarHBondContact O-N 2.92Å; D109-V112 VanDerWaalsContact O-N 3.14Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.37Å; D109-K241 IonicContact OD2-NZ 3.44Å; D109-K241 PolarHBondContact OD2-NZ 3.01Å
110	E	72.8	Confident	83.1	Confident	171 Å²	171	80.9 Å²	80.9	80%	0.799	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.3	177.1	-66	-173.4	170	0	0	113.1	F108 V112	F108-E110 HydrophobicContact CD1-CG 3.82Å; F108-E110 HydrophobicContact CE1-CG 4.16Å; F108-E110 PolarHBondContact O-N 2.94Å; E110-V112 PolarHBondContact O-N 3.29Å
111	S	77	Confident	84.3	Confident	86 Å²	86	79.2 Å²	79.2	60%	0.601	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.1	177.6	80.9	0	0	0	0	112.9	D109 S113	D109-S111 PolarHBondContact O-N 3.28Å; D109-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 WeakPolarHBondContact OD1-CB 3.38Å; D109-S111 PolarHBondContact OD1-N 2.92Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; D109-S111 PolarHBondContact OD2-OG 2.9Å; S111-S113 VanDerWaalsContact C-N 3.28Å; S111-S113 PolarHBondContact O-N 3.21Å
112	V	82.9	Confident	85.8	Confident	10 Å²	10	76 Å²	76	6%	0.061	41%	0.405	C	S	.	.			trans	-81.9	74.4	179.1	-169.3	0	0	0	0	110.7	D109 E110 L115 R233 V237	D109-V112 HydrophobicContact CB-CG2 4.12Å; D109-V112 PolarHBondContact O-N 2.92Å; D109-V112 VanDerWaalsContact O-N 3.14Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.37Å; E110-V112 PolarHBondContact O-N 3.29Å; V112-L115 HydrophobicContact CG1-CD2 3.61Å; V112-L115 HydrophobicContact CG1-CG 4.12Å; V112-R233 PolarHBondContact O-NH2 2.87Å; V112-V237 HydrophobicContact CB-CG2 4.31Å; V112-V237 HydrophobicContact CG1-CG2 4.09Å; V112-V237 HydrophobicContact CG2-CG1 4.14Å
113	S	80.3	Confident	87.1	Confident	110 Å²	110	81 Å²	81	77%	0.769	43%	0.429	S	S	*	.			trans	-68.5	-34.6	175.9	62.2	0	0	0	0	112.6	S111	S111-S113 VanDerWaalsContact C-N 3.28Å; S111-S113 PolarHBondContact O-N 3.21Å
114	K	89.5	Confident	88.4	Confident	179 Å²	179	83.3 Å²	83.3	78%	0.778	43%	0.429	S	S	*	.			trans	-137.8	125.3	-177.4	-164.5	173.1	-177.2	177.1	0	112.4
115	L	93.7	Very high	89.2	Confident	30 Å²	30	80.7 Å²	80.7	16%	0.157	43%	0.43	C	S	.	.			trans	-90.3	147.9	172	-71.1	172.8	0	0	0	110.4	V112 A236 V237 F240	V112-L115 HydrophobicContact CG1-CD2 3.61Å; V112-L115 HydrophobicContact CG1-CG 4.12Å; L115-A236 HydrophobicContact CD1-CB 3.55Å; L115-V237 HydrophobicContact CD1-CG2 4.27Å; L115-V237 HydrophobicContact CD2-CG2 4.12Å; L115-F240 HydrophobicContact CD2-CB 3.74Å; L115-F240 HydrophobicContact CD2-CD1 3.67Å; L115-F240 HydrophobicContact CD2-CG 3.89Å
116	P	96.1	Very high	89.9	Confident	50 Å²	50	78.9 Å²	78.9	33%	0.325	42%	0.418	S	S	.	.			trans	-59.5	153.8	168.7	27.3	-34.5	0	0	0	110.2	S118 V119 F240 Y283	P116-S118 PolarHBondContact O-N 3.12Å; P116-V119 HydrophobicContact CG-CG2 3.77Å; P116-F240 HydrophobicContact CG-CD2 3.47Å; P116-F240 VanDerWaalsContact CG-CD2 3.47Å; P116-F240 HydrophobicContact CG-CE2 3.62Å; P116-F240 HydrophobicContact CG-CG 4.25Å; P116-F240 HydrophobicContact CG-CZ 4.48Å; P116-Y283 WeakPolarHBondContact CD-OH 3.42Å; P116-Y283 WeakPolarHBondContact CG-OH 3.37Å; P116-Y283 VanDerWaalsContact O-CE2 3.29Å; P116-Y283 WeakPolarHBondContact O-CE2 3.47Å; P116-Y283 PolarHBondContact O-OH 3.15Å
117	K	96.2	Very high	90.4	Very high	175 Å²	175	78.9 Å²	78.9	76%	0.761	42%	0.419	S	S	*	.	S	Bend	trans	-63.4	-31.7	-179	-70	-171.6	179.1	179.5	0	112.5	V285	K117-V285 HydrophobicContact CB-CG1 4.23Å
118	S	97.9	Very high	91.2	Very high	76 Å²	76	75.1 Å²	75.1	53%	0.531	39%	0.387	S	S	.	.			trans	-145.8	150.9	178.7	53.6	0	0	0	0	111.8	P116 Y283	P116-S118 PolarHBondContact O-N 3.12Å; S118-Y283 CarbonylContact C-O 3.58Å; S118-Y283 WeakPolarHBondContact CA-O 3.48Å; S118-Y283 WeakPolarHBondContact CB-O 3.12Å
119	V	98.3	Very high	92.2	Very high	7 Å²	7	73.2 Å²	73.2	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.4	169.5	176.3	0	0	0	0	106.2	P116 Y121 F240 G282 Y283	P116-V119 HydrophobicContact CG-CG2 3.77Å; V119-Y121 HydrophobicContact CG1-CD2 3.82Å; V119-Y121 HydrophobicContact CG1-CE1 4.48Å; V119-Y121 HydrophobicContact CG1-CE2 3.34Å; V119-F240 HydrophobicContact CG2-CD2 4.32Å; V119-G282 CarbonylContact O-C 3.52Å; V119-G282 WeakPolarHBondContact O-CA 3.32Å; V119-Y283 HydrophobicContact CB-CD1 4.28Å; V119-Y283 HydrophobicContact CB-CE1 4Å; V119-Y283 HydrophobicContact CG2-CD1 4.47Å; V119-Y283 HydrophobicContact CG2-CE1 3.72Å; V119-Y283 HydrophobicContact CG2-CE2 4.28Å; V119-Y283 PolarHBondContact N-O 3.22Å; V119-Y283 PolarHBondContact O-N 3.13Å
120	D	98.6	Very high	93.3	Very high	24 Å²	24	71.1 Å²	71.1	13%	0.128	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	102.2	177.2	-172.1	-15	0	0	0	108.8	R122 K123 I294	D120-R122 VanDerWaalsContact C-N 3.27Å; D120-R122 PolarHBondContact O-N 2.81Å; D120-R122 VanDerWaalsContact OD1-CB 3.29Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 IonicContact OD1-CZ 2.65Å; D120-R122 PolarHBondContact OD1-N 3.04Å; D120-R122 IonicContact OD1-NE 3.92Å; D120-R122 PolarHBondContact OD1-NE 3.46Å; D120-R122 IonicContact OD1-NH2 3.64Å; D120-R122 IonicContact OD2-CZ 3.06Å; D120-R122 IonicContact OD2-NE 2.65Å; D120-R122 PolarHBondContact OD2-NE 3.04Å; D120-R122 IonicContact OD2-NH2 2.79Å; D120-R122 PolarHBondContact OD2-NH2 2.86Å; D120-K123 HydrophobicContact CB-CD 4.39Å; D120-K123 HydrophobicContact CB-CG 4.47Å; D120-K123 PolarHBondContact O-N 3.37Å; D120-K123 WeakPolarHBondContact OD2-CE 3.29Å; D120-I294 HydrophobicContact CB-CD1 3.94Å
121	Y	98.6	Very high	94.5	Very high	14 Å²	14	65.4 Å²	65.4	6%	0.055	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-75.4	-15.7	-175.4	-77.2	-67.3	0	0	0	113.7	V119 K123 K124 M126 L239 P244 V281	V119-Y121 HydrophobicContact CG1-CD2 3.82Å; V119-Y121 HydrophobicContact CG1-CE1 4.48Å; V119-Y121 HydrophobicContact CG1-CE2 3.34Å; Y121-K123 PolarHBondContact O-N 3.14Å; Y121-K124 HydrophobicContact CD1-CB 4.31Å; Y121-K124 HydrophobicContact CD1-CD 3.93Å; Y121-K124 HydrophobicContact CE1-CD 4.03Å; Y121-K124 PolarHBondContact O-N 3.13Å; Y121-M126 HydrophobicContact CD1-CB 3.96Å; Y121-M126 HydrophobicContact CD1-CE 3.78Å; Y121-M126 HydrophobicContact CD1-CG 4.2Å; Y121-M126 HydrophobicContact CD1-SD 3.37Å; Y121-M126 WeakPolarHBondContact CD1-SD 3.45Å; Y121-M126 HydrophobicContact CE1-CE 3.73Å; Y121-M126 HydrophobicContact CE1-SD 3.5Å; Y121-M126 WeakPolarHBondContact CE1-SD 3.27Å; Y121-M126 HydrophobicContact CG-CB 4.42Å; Y121-M126 PolarHBondContact O-N 3.25Å; Y121-L239 WeakPolarHBondContact CE2-O 3.31Å; Y121-L239 PolarHBondContact OH-O 2.83Å; Y121-P244 HydrophobicContact CD2-CG 4.2Å; Y121-P244 HydrophobicContact CG-CG 4.18Å; Y121-V281 WeakPolarHBondContact CB-O 3.5Å; Y121-V281 VanDerWaalsContact CD2-O 3.31Å; Y121-V281 WeakPolarHBondContact CD2-O 3.37Å; Y121-V281 PolarHBondContact N-O 3.03Å
122	R	98	Very high	95.5	Very high	98 Å²	98	65.1 Å²	65.1	37%	0.37	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.8	-35.6	172.2	-55.1	172.8	-63.6	179.3	2.6	110.9	D120 K124 V127 V281 Y308	D120-R122 VanDerWaalsContact C-N 3.27Å; D120-R122 PolarHBondContact O-N 2.81Å; D120-R122 VanDerWaalsContact OD1-CB 3.29Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 IonicContact OD1-CZ 2.65Å; D120-R122 PolarHBondContact OD1-N 3.04Å; D120-R122 IonicContact OD1-NE 3.92Å; D120-R122 PolarHBondContact OD1-NE 3.46Å; D120-R122 IonicContact OD1-NH2 3.64Å; D120-R122 IonicContact OD2-CZ 3.06Å; D120-R122 IonicContact OD2-NE 2.65Å; D120-R122 PolarHBondContact OD2-NE 3.04Å; D120-R122 IonicContact OD2-NH2 2.79Å; D120-R122 PolarHBondContact OD2-NH2 2.86Å; R122-K124 VanDerWaalsContact C-N 3.27Å; R122-K124 PolarHBondContact O-N 3.31Å; R122-V127 HydrophobicContact CG-CB 4.31Å; R122-V127 HydrophobicContact CG-CG1 4.37Å; R122-V127 HydrophobicContact CG-CG2 4.21Å; R122-V281 HydrophobicContact CG-CG2 4.21Å; R122-Y308 VanDerWaalsContact CD-CE1 3.47Å; R122-Y308 HydrophobicContact CG-CE1 4.06Å
123	K	97.1	Very high	96.3	Very high	177 Å²	177	64.8 Å²	64.8	77%	0.77	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-81.1	-3.8	178.3	-59.2	-176.5	-178	-176.4	0	113.8	D120 Y121	D120-K123 HydrophobicContact CB-CD 4.39Å; D120-K123 HydrophobicContact CB-CG 4.47Å; D120-K123 PolarHBondContact O-N 3.37Å; D120-K123 WeakPolarHBondContact OD2-CE 3.29Å; Y121-K123 PolarHBondContact O-N 3.14Å
124	K	95.9	Very high	97.1	Very high	126 Å²	126	60.7 Å²	60.7	55%	0.548	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-113.2	7.1	-175.7	-63.5	-172.9	177	-174.3	0	113.2	Y121 R122 M126	Y121-K124 HydrophobicContact CD1-CB 4.31Å; Y121-K124 HydrophobicContact CD1-CD 3.93Å; Y121-K124 HydrophobicContact CE1-CD 4.03Å; Y121-K124 PolarHBondContact O-N 3.13Å; R122-K124 VanDerWaalsContact C-N 3.27Å; R122-K124 PolarHBondContact O-N 3.31Å; K124-M126 VanDerWaalsContact C-N 3.27Å; K124-M126 HydrophobicContact CB-CG 4.34Å; K124-M126 HydrophobicContact CB-SD 4.39Å; K124-M126 PolarHBondContact O-N 3.21Å
125	G	95	Very high	97.4	Very high	43 Å²	43	56.9 Å²	56.9	44%	0.443	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	30.5	-177.9	0	0	0	0	0	113.3
126	M	97.8	Very high	97.6	Very high	20 Å²	20	55.6 Å²	55.6	10%	0.099	30%	0.302	C	S	.	.			trans	-116.2	16.5	-178.5	-64.2	178.8	58	0	0	112.5	Y121 K124 G150 A153 K154	Y121-M126 HydrophobicContact CD1-CB 3.96Å; Y121-M126 HydrophobicContact CD1-CE 3.78Å; Y121-M126 HydrophobicContact CD1-CG 4.2Å; Y121-M126 HydrophobicContact CD1-SD 3.37Å; Y121-M126 WeakPolarHBondContact CD1-SD 3.45Å; Y121-M126 HydrophobicContact CE1-CE 3.73Å; Y121-M126 HydrophobicContact CE1-SD 3.5Å; Y121-M126 WeakPolarHBondContact CE1-SD 3.27Å; Y121-M126 HydrophobicContact CG-CB 4.42Å; Y121-M126 PolarHBondContact O-N 3.25Å; K124-M126 VanDerWaalsContact C-N 3.27Å; K124-M126 HydrophobicContact CB-CG 4.34Å; K124-M126 HydrophobicContact CB-SD 4.39Å; K124-M126 PolarHBondContact O-N 3.21Å; M126-G150 WeakPolarHBondContact CE-O 3.41Å; M126-A153 HydrophobicContact CB-CB 4.21Å; M126-A153 HydrophobicContact CG-CB 3.96Å; M126-K154 HydrophobicContact CE-CB 3.67Å; M126-K154 HydrophobicContact CE-CD 4.37Å; M126-K154 HydrophobicContact CE-CG 4.21Å
127	V	98.4	Very high	97.7	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.103	29%	0.289	C	S	.	.	S	Bend	trans	-141.5	120.5	-179.2	-174.8	0	0	0	0	107.6	R122 P244 V281 K296 Y308	R122-V127 HydrophobicContact CG-CB 4.31Å; R122-V127 HydrophobicContact CG-CG1 4.37Å; R122-V127 HydrophobicContact CG-CG2 4.21Å; V127-P244 HydrophobicContact CG2-CG 4.35Å; V127-V281 HydrophobicContact CG1-CG1 3.97Å; V127-V281 HydrophobicContact CG2-CB 3.86Å; V127-V281 HydrophobicContact CG2-CG1 3.75Å; V127-K296 HydrophobicContact CG1-CD 3.76Å; V127-Y308 WeakPolarHBondContact CG1-OH 3.45Å
128	T	98.4	Very high	97.8	Very high	8 Å²	8	45 Å²	45	5%	0.049	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.8	173	174.5	53.4	0	0	0	0	112.2	E149 L159 D161 K296	T128-E149 WeakPolarHBondContact CB-OE2 3.24Å; T128-E149 HydrophobicContact CG2-CB 4.23Å; T128-E149 HydrophobicContact CG2-CG 4.08Å; T128-E149 WeakPolarHBondContact CG2-OE2 3.46Å; T128-E149 PolarHBondContact OG1-OE2 2.9Å; T128-L159 HydrophobicContact CG2-CD1 3.76Å; T128-L159 HydrophobicContact CG2-CD2 4.32Å; T128-L159 HydrophobicContact CG2-CG 3.86Å; T128-D161 WeakPolarHBondContact CB-OD1 3.42Å; T128-D161 WeakPolarHBondContact CG2-OD1 3.32Å; T128-K296 PolarHBondContact O-NZ 2.93Å; T128-K296 PolarHBondContact OG1-NZ 3.26Å
129	S	98.3	Very high	97.9	Very high	61 Å²	61	41.4 Å²	41.4	43%	0.427	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-58.1	154.8	173.9	74.4	0	0	0	0	111.6	K131 K296	S129-K131 PolarHBondContact OG-NZ 3.37Å; S129-K296 VanDerWaalsContact O-CE 3.27Å; S129-K296 WeakPolarHBondContact O-CE 3.48Å; S129-K296 PolarHBondContact O-NZ 3.46Å
130	V	98.8	Very high	97.9	Very high	12 Å²	12	41.1 Å²	41.1	7%	0.073	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.5	140.9	171.6	173.1	0	0	0	0	108.4	K296 E301 Y308	V130-K296 HydrophobicContact CG2-CG 4.2Å; V130-E301 HydrophobicContact CB-CG 3.71Å; V130-E301 HydrophobicContact CG1-CG 4.17Å; V130-E301 HydrophobicContact CG2-CG 4.42Å; V130-Y308 HydrophobicContact CG2-CD2 4.12Å; V130-Y308 HydrophobicContact CG2-CE2 3.46Å; V130-Y308 VanDerWaalsContact CG2-CE2 3.46Å
131	K	98.6	Very high	97.9	Very high	51 Å²	51	40 Å²	40	22%	0.222	22%	0.219	C	C	.	.			trans	-115	171.1	179.4	-48.6	-60.1	-176	-173	0	109.6	S129 F142 D161 S298 G300	S129-K131 PolarHBondContact OG-NZ 3.37Å; K131-F142 HydrophobicContact CB-CD1 3.8Å; K131-F142 HydrophobicContact CB-CE1 3.42Å; K131-F142 VanDerWaalsContact CB-CE1 3.42Å; K131-F142 HydrophobicContact CB-CZ 4.48Å; K131-F142 HydrophobicContact CG-CD1 4.27Å; K131-F142 HydrophobicContact CG-CE1 4.06Å; K131-D161 WeakPolarHBondContact CE-OD1 3.28Å; K131-D161 IonicContact NZ-OD1 2.8Å; K131-D161 PolarHBondContact NZ-OD1 3.38Å; K131-D161 IonicContact NZ-OD2 3.35Å; K131-D161 PolarHBondContact NZ-OD2 2.89Å; K131-S298 CarbonylContact O-C 3.53Å; K131-S298 VanDerWaalsContact O-C 3.28Å; K131-G300 WeakPolarHBondContact O-CA 3.45Å; K131-G300 PolarHBondContact O-N 3.22Å
132	N	98.5	Very high	97.9	Very high	80 Å²	80	40.4 Å²	40.4	43%	0.428	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-126.8	117.4	177.7	-168.2	-7.8	0	0	0	110.2	G134 S298	N132-G134 VanDerWaalsContact C-N 3.33Å; N132-G134 PolarHBondContact OD1-N 3.13Å; N132-S298 CarbonylContact C-O 3.59Å; N132-S298 VanDerWaalsContact CA-O 3.3Å; N132-S298 WeakPolarHBondContact CA-O 3.09Å
133	Q	98.3	Very high	98	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	20%	0.204	C	C	.	.			trans	-76.1	-21.8	178.1	72.7	-177.5	82.2	0	0	112.9	M91 C136 F142 Y203 S298	M91-Q133 VanDerWaalsContact C-NE2 3.32Å; M91-Q133 VanDerWaalsContact O-CD 3.23Å; M91-Q133 PolarHBondContact O-NE2 3.44Å; M91-Q133 PolarHBondContact O-OE1 3.08Å; Q133-C136 PolarHBondContact NE2-O 3.43Å; Q133-F142 HydrophobicContact CB-CD2 3.73Å; Q133-F142 HydrophobicContact CB-CE2 3.4Å; Q133-F142 HydrophobicContact CB-CZ 4.16Å; Q133-Y203 WeakPolarHBondContact O-CE1 3.4Å; Q133-Y203 PolarHBondContact O-OH 3.08Å; Q133-S298 PolarHBondContact N-O 3.09Å; Q133-S298 PolarHBondContact OE1-OG 3.21Å
134	G	96.7	Very high	98.1	Very high	25 Å²	25	27.4 Å²	27.4	26%	0.258	17%	0.168	S	C	.	.			trans	63.7	-150.8	-175.7	0	0	0	0	0	113	N132 C136	N132-G134 VanDerWaalsContact C-N 3.33Å; N132-G134 PolarHBondContact OD1-N 3.13Å; G134-C136 PolarHBondContact O-N 3.15Å
135	S	96.3	Very high	98.2	Very high	99 Å²	99	21.5 Å²	21.5	69%	0.692	14%	0.142	S	C	*	.	S	Bend	trans	-83.4	46.4	-178.9	-55.7	0	0	0	0	112.7	K90	K90-S135 CarbonylContact O-C 3.19Å; K90-S135 WeakPolarHBondContact O-CA 3.49Å
136	C	98.1	Very high	98.4	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.02	12%	0.124	C	C	.	.	S	Bend	trans	-134.1	135	176.8	163.4	0	0	0	0	108.4	K90 Q133 G134 S138 C177 Y203 G205	K90-C136 PolarHBondContact O-N 3.41Å; Q133-C136 PolarHBondContact NE2-O 3.43Å; G134-C136 PolarHBondContact O-N 3.15Å; C136-S138 PolarHBondContact O-N 3.36Å; C136-S138 VanDerWaalsContact SG-CB 3.55Å; C136-C177 HydrophobicContact CB-CB 3.91Å; C136-C177 WeakPolarHBondContact CB-SG 3.41Å; C136-C177 WeakPolarHBondContact SG-CA 3.32Å; C136-C177 WeakPolarHBondContact SG-CB 3.36Å; C136-C177 CovalentContact SG-SG 2.04Å; C136-C177 PolarHBondContact SG-SG 3.29Å; C136-Y203 WeakPolarHBondContact CB-OH 3.09Å; C136-Y203 PolarHBondContact SG-OH 2.79Å; C136-G205 WeakPolarHBondContact CB-O 3.11Å
137	G	98.3	Very high	98.4	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.031	12%	0.119	C	C	.	.			trans	-78.5	44.5	-176.7	0	0	0	0	0	115.6	T92 G93 W140 C177	T92-G137 WeakPolarHBondContact O-CA 3.25Å; G93-G137 WeakPolarHBondContact CA-O 3.29Å; G137-W140 PolarHBondContact O-NE1 3.03Å; G137-C177 WeakPolarHBondContact CA-O 3.27Å; G137-C177 PolarHBondContact N-O 3.46Å
138	S	98.8	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.			trans	-95.8	16.8	-174	60	0	0	0	0	113.9	C136 W140 A141 F142 Y203	C136-S138 PolarHBondContact O-N 3.36Å; C136-S138 VanDerWaalsContact SG-CB 3.55Å; S138-W140 PolarHBondContact O-N 2.85Å; S138-W140 VanDerWaalsContact O-N 3.08Å; S138-A141 WeakPolarHBondContact O-CA 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 2.55Å; S138-F142 WeakPolarHBondContact O-CD2 3.44Å; S138-F142 PolarHBondContact O-N 3.22Å; S138-F142 VanDerWaalsContact O-N 3.16Å; S138-F142 WeakPolarHBondContact OG-CE2 3.26Å; S138-Y203 PolarHBondContact OG-OH 2.61Å
139	C	98.8	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.8	-34.5	179.8	63.5	0	0	0	0	112.6	G93 A141 F142 S143 H276 A277	G93-C139 PolarHBondContact N-SG 2.84Å; C139-A141 VanDerWaalsContact C-N 3.32Å; C139-A141 PolarHBondContact O-N 3.31Å; C139-F142 PolarHBondContact O-N 3.12Å; C139-S143 WeakPolarHBondContact O-CB 3.25Å; C139-S143 PolarHBondContact O-N 3.36Å; C139-H276 WeakPolarHBondContact CB-CE1 3.22Å; C139-H276 VanDerWaalsContact CB-ND1 3.28Å; C139-H276 WeakPolarHBondContact CB-ND1 3.37Å; C139-A277 HydrophobicContact CB-CB 4.29Å; C139-A277 PolarHBondContact SG-N 3.36Å; C139-A277 VanDerWaalsContact SG-N 3.38Å
140	W	98.8	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-38.8	174.5	64.1	-93.1	0	0	0	112.3	G137 S138 S144 L167 V168 V171 N174 G176 G180 A185 A277	G137-W140 PolarHBondContact O-NE1 3.03Å; S138-W140 PolarHBondContact O-N 2.85Å; S138-W140 VanDerWaalsContact O-N 3.08Å; W140-S144 WeakPolarHBondContact O-CB 3.38Å; W140-S144 PolarHBondContact O-N 3.29Å; W140-S144 PolarHBondContact O-OG 2.83Å; W140-L167 HydrophobicContact CH2-CB 4.15Å; W140-L167 WeakPolarHBondContact CH2-O 3.15Å; W140-L167 HydrophobicContact CZ3-CB 3.87Å; W140-V168 HydrophobicContact CZ2-CG2 4.45Å; W140-V171 HydrophobicContact CH2-CB 4.01Å; W140-V171 HydrophobicContact CH2-CG2 4.18Å; W140-V171 HydrophobicContact CZ3-CB 4.24Å; W140-V171 HydrophobicContact CZ3-CG2 4.08Å; W140-N174 HydrophobicContact CH2-CB 3.81Å; W140-N174 WeakPolarHBondContact CH2-ND2 3.23Å; W140-N174 HydrophobicContact CZ2-CB 3.79Å; W140-N174 HydrophobicContact CZ3-CB 4.3Å; W140-N174 WeakPolarHBondContact CZ3-ND2 3.22Å; W140-G176 PolarHBondContact NE1-O 2.97Å; W140-G180 WeakPolarHBondContact CB-O 3.14Å; W140-A185 HydrophobicContact CE3-CB 4.11Å; W140-A185 HydrophobicContact CZ3-CB 3.94Å; W140-A277 HydrophobicContact CB-CB 4.4Å
141	A	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-46.5	177.9	0	0	0	0	0	110.6	S138 C139 S143 S144 A145 P164 L167 V168	S138-A141 WeakPolarHBondContact O-CA 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 2.55Å; C139-A141 VanDerWaalsContact C-N 3.32Å; C139-A141 PolarHBondContact O-N 3.31Å; A141-S143 PolarHBondContact O-N 2.9Å; A141-S144 PolarHBondContact O-N 2.84Å; A141-A145 WeakPolarHBondContact O-CB 3.32Å; A141-A145 PolarHBondContact O-N 3.32Å; A141-P164 HydrophobicContact CB-CB 4.01Å; A141-L167 HydrophobicContact CB-CB 3.93Å; A141-L167 HydrophobicContact CB-CD1 4.22Å; A141-V168 HydrophobicContact CB-CG2 3.99Å
142	F	98.9	Very high	98.3	Very high	23 Å²	23	12.5 Å²	12.5	10%	0.101	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-42.3	176.4	-77.9	-84.4	0	0	0	112.7	K131 Q133 S138 C139 S144 G146 P164 Y203	K131-F142 HydrophobicContact CB-CD1 3.8Å; K131-F142 HydrophobicContact CB-CE1 3.42Å; K131-F142 VanDerWaalsContact CB-CE1 3.42Å; K131-F142 HydrophobicContact CB-CZ 4.48Å; K131-F142 HydrophobicContact CG-CD1 4.27Å; K131-F142 HydrophobicContact CG-CE1 4.06Å; Q133-F142 HydrophobicContact CB-CD2 3.73Å; Q133-F142 HydrophobicContact CB-CE2 3.4Å; Q133-F142 HydrophobicContact CB-CZ 4.16Å; S138-F142 WeakPolarHBondContact O-CD2 3.44Å; S138-F142 PolarHBondContact O-N 3.22Å; S138-F142 VanDerWaalsContact O-N 3.16Å; S138-F142 WeakPolarHBondContact OG-CE2 3.26Å; C139-F142 PolarHBondContact O-N 3.12Å; F142-S144 VanDerWaalsContact C-N 3.31Å; F142-S144 PolarHBondContact O-N 3.23Å; F142-G146 PolarHBondContact O-N 3.09Å; F142-P164 HydrophobicContact CD1-CB 4.25Å; F142-P164 HydrophobicContact CD1-CG 3.73Å; F142-P164 HydrophobicContact CD2-CB 4.21Å; F142-P164 HydrophobicContact CE1-CB 4.18Å; F142-P164 HydrophobicContact CE1-CG 3.59Å; F142-P164 HydrophobicContact CE2-CB 4.12Å; F142-P164 HydrophobicContact CE2-CG 4.42Å; F142-P164 HydrophobicContact CG-CB 4.27Å; F142-P164 HydrophobicContact CG-CG 4.22Å; F142-P164 HydrophobicContact CZ-CB 4.12Å; F142-P164 HydrophobicContact CZ-CG 3.97Å; F142-Y203 HydrophobicContact CE2-CD2 4.11Å; F142-Y203 HydrophobicContact CE2-CE1 4.05Å; F142-Y203 AromaticContact CE2-CE2 3.61Å; F142-Y203 HydrophobicContact CE2-CE2 3.61Å; F142-Y203 AromaticContact CE2-CZ 3.57Å; F142-Y203 AromaticContact CZ-CD1 3.88Å; F142-Y203 HydrophobicContact CZ-CD1 3.88Å; F142-Y203 AromaticContact CZ-CD2 3.88Å; F142-Y203 HydrophobicContact CZ-CD2 3.88Å; F142-Y203 AromaticContact CZ-CE1 3.81Å; F142-Y203 HydrophobicContact CZ-CE1 3.81Å; F142-Y203 AromaticContact CZ-CE2 3.82Å; F142-Y203 HydrophobicContact CZ-CE2 3.82Å; F142-Y203 AromaticContact CZ-CG 3.9Å; F142-Y203 HydrophobicContact CZ-CG 3.9Å; F142-Y203 AromaticContact CZ-CZ 3.78Å
143	S	98.9	Very high	98.2	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-43.1	174.9	-177.5	0	0	0	0	111.1	C139 A141 A147 S246 V278	C139-S143 WeakPolarHBondContact O-CB 3.25Å; C139-S143 PolarHBondContact O-N 3.36Å; A141-S143 PolarHBondContact O-N 2.9Å; S143-A147 PolarHBondContact O-N 3.13Å; S143-S246 PolarHBondContact O-OG 2.88Å; S143-S246 WeakPolarHBondContact OG-CA 3.33Å; S143-S246 WeakPolarHBondContact OG-CB 3.43Å; S143-S246 PolarHBondContact OG-OG 2.9Å; S143-V278 PolarHBondContact OG-O 2.92Å
144	S	98.9	Very high	98.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.9	-49.3	-180	-56.9	0	0	0	0	112.2	W140 A141 F142 G146 A147 L148 M182 A185 F186	W140-S144 WeakPolarHBondContact O-CB 3.38Å; W140-S144 PolarHBondContact O-N 3.29Å; W140-S144 PolarHBondContact O-OG 2.83Å; A141-S144 PolarHBondContact O-N 2.84Å; F142-S144 VanDerWaalsContact C-N 3.31Å; F142-S144 PolarHBondContact O-N 3.23Å; S144-G146 VanDerWaalsContact C-N 3.33Å; S144-G146 PolarHBondContact O-N 3.48Å; S144-A147 PolarHBondContact O-N 3.35Å; S144-L148 PolarHBondContact O-N 3.39Å; S144-M182 VanDerWaalsContact OG-CA 3.3Å; S144-M182 WeakPolarHBondContact OG-CA 3.13Å; S144-M182 WeakPolarHBondContact OG-CB 3.4Å; S144-A185 WeakPolarHBondContact OG-CB 3.24Å; S144-F186 WeakPolarHBondContact O-CE1 3.41Å
145	A	98.8	Very high	97.9	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-55.6	-48.9	175.7	0	0	0	0	0	110.4	A141 A147 L148 E149 L162 P164	A141-A145 WeakPolarHBondContact O-CB 3.32Å; A141-A145 PolarHBondContact O-N 3.32Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 2.72Å; A145-L148 WeakPolarHBondContact O-CB 3.49Å; A145-L148 PolarHBondContact O-N 2.79Å; A145-L148 VanDerWaalsContact O-N 3.08Å; A145-E149 WeakPolarHBondContact O-CB 3.46Å; A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.48Å; A145-L162 HydrophobicContact CB-CB 4.36Å; A145-P164 HydrophobicContact CB-CG 4.28Å
146	G	98.8	Very high	97.6	Very high	5 Å²	5	19 Å²	19	5%	0.052	9%	0.092	C	C	.	.	H	α-helix	trans	-59.6	-33.9	178.9	0	0	0	0	0	114.9	F142 S144 E149 G150	F142-G146 PolarHBondContact O-N 3.09Å; S144-G146 VanDerWaalsContact C-N 3.33Å; S144-G146 PolarHBondContact O-N 3.48Å; G146-E149 WeakPolarHBondContact CA-OE2 3.14Å; G146-G150 PolarHBondContact O-N 3.06Å; G146-G150 VanDerWaalsContact O-N 3.17Å
147	A	98.8	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.8	-41.1	174.8	0	0	0	0	0	112.1	S143 S144 A145 G150 Q151 F186 S246 L279 P328	S143-A147 PolarHBondContact O-N 3.13Å; S144-A147 PolarHBondContact O-N 3.35Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 2.72Å; A147-G150 PolarHBondContact O-N 3.17Å; A147-Q151 PolarHBondContact O-N 3.16Å; A147-Q151 VanDerWaalsContact O-N 3.09Å; A147-F186 HydrophobicContact CB-CE1 4.22Å; A147-F186 HydrophobicContact CB-CZ 3.95Å; A147-S246 VanDerWaalsContact CB-OG 3.31Å; A147-S246 WeakPolarHBondContact CB-OG 3.48Å; A147-L279 HydrophobicContact CB-CD1 3.85Å; A147-P328 HydrophobicContact CB-CG 4.14Å
148	L	98.7	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-44.4	174.4	-73.4	163	0	0	0	111.3	S144 A145 G150 Q151 L152 L162 F186 V189 I195 C221 P328	S144-L148 PolarHBondContact O-N 3.39Å; A145-L148 WeakPolarHBondContact O-CB 3.49Å; A145-L148 PolarHBondContact O-N 2.79Å; A145-L148 VanDerWaalsContact O-N 3.08Å; L148-G150 VanDerWaalsContact C-N 3.3Å; L148-G150 PolarHBondContact O-N 2.85Å; L148-Q151 PolarHBondContact O-N 3.19Å; L148-Q151 VanDerWaalsContact O-N 3.13Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 3.19Å; L148-L162 HydrophobicContact CB-CD1 3.45Å; L148-L162 VanDerWaalsContact CB-CD1 3.45Å; L148-F186 HydrophobicContact CD1-CD1 4.34Å; L148-F186 HydrophobicContact CD1-CE1 4.47Å; L148-F186 HydrophobicContact CD2-CD1 4.48Å; L148-F186 HydrophobicContact CG-CD1 4.23Å; L148-F186 HydrophobicContact CG-CE1 4.16Å; L148-V189 HydrophobicContact CD1-CG1 4.5Å; L148-V189 HydrophobicContact CD1-CG2 4.04Å; L148-I195 HydrophobicContact CD1-CD1 4.27Å; L148-I195 HydrophobicContact CD1-CG2 4.43Å; L148-C221 HydrophobicContact CD2-CB 4.12Å; L148-P328 HydrophobicContact CB-CG 4.5Å; L148-P328 HydrophobicContact CD2-CB 3.54Å; L148-P328 HydrophobicContact CD2-CG 3.68Å; L148-P328 HydrophobicContact CG-CB 4.22Å; L148-P328 HydrophobicContact CG-CG 3.91Å
149	E	98.7	Very high	96.8	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-56.2	-44.4	174.2	-69.7	170.6	167.8	0	0	111.6	T128 A145 G146 Q151 L152 A153 I160 D161 L162	T128-E149 WeakPolarHBondContact CB-OE2 3.24Å; T128-E149 HydrophobicContact CG2-CB 4.23Å; T128-E149 HydrophobicContact CG2-CG 4.08Å; T128-E149 WeakPolarHBondContact CG2-OE2 3.46Å; T128-E149 PolarHBondContact OG1-OE2 2.9Å; A145-E149 WeakPolarHBondContact O-CB 3.46Å; A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.48Å; G146-E149 WeakPolarHBondContact CA-OE2 3.14Å; E149-Q151 PolarHBondContact O-N 3.37Å; E149-L152 PolarHBondContact O-N 3.13Å; E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.49Å; E149-I160 WeakPolarHBondContact CG-O 3.31Å; E149-D161 WeakPolarHBondContact OE1-CA 3.13Å; E149-L162 HydrophobicContact CG-CB 3.99Å; E149-L162 HydrophobicContact CG-CD1 3.91Å; E149-L162 HydrophobicContact CG-CG 3.71Å; E149-L162 PolarHBondContact OE1-N 2.75Å
150	G	98.1	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-41.2	176	0	0	0	0	0	112.8	M126 G146 A147 L148 K154	M126-G150 WeakPolarHBondContact CE-O 3.41Å; G146-G150 PolarHBondContact O-N 3.06Å; G146-G150 VanDerWaalsContact O-N 3.17Å; A147-G150 PolarHBondContact O-N 3.17Å; L148-G150 VanDerWaalsContact C-N 3.3Å; L148-G150 PolarHBondContact O-N 2.85Å; G150-K154 WeakPolarHBondContact O-CB 3.34Å; G150-K154 PolarHBondContact O-N 3.44Å; G150-K154 VanDerWaalsContact O-N 3.12Å
151	Q	97.4	Very high	96.6	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-38.3	175.1	-69.6	-50.3	-64.8	0	0	112.3	A147 L148 E149 K154 K155 V242 P328 M330	A147-Q151 PolarHBondContact O-N 3.16Å; A147-Q151 VanDerWaalsContact O-N 3.09Å; L148-Q151 PolarHBondContact O-N 3.19Å; L148-Q151 VanDerWaalsContact O-N 3.13Å; E149-Q151 PolarHBondContact O-N 3.37Å; Q151-K154 WeakPolarHBondContact O-CB 3.48Å; Q151-K154 PolarHBondContact O-N 2.73Å; Q151-K155 WeakPolarHBondContact O-CB 3.47Å; Q151-K155 PolarHBondContact O-N 2.89Å; Q151-V242 PolarHBondContact NE2-O 3.04Å; Q151-P328 HydrophobicContact CG-CG 3.97Å; Q151-P328 WeakPolarHBondContact CG-O 3.27Å; Q151-M330 HydrophobicContact CB-CB 4.45Å; Q151-M330 HydrophobicContact CB-CG 3.67Å; Q151-M330 HydrophobicContact CB-SD 3.36Å; Q151-M330 WeakPolarHBondContact CB-SD 3.45Å; Q151-M330 HydrophobicContact CG-CG 4.5Å
152	L	96.2	Very high	96.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-48.5	177.8	-176.8	68.7	0	0	0	110.4	L148 E149 K154 K155 M156 K158 I160 L162 A219 M330	L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 3.19Å; E149-L152 PolarHBondContact O-N 3.13Å; L152-K154 VanDerWaalsContact C-N 3.29Å; L152-K154 PolarHBondContact O-N 2.82Å; L152-K155 PolarHBondContact O-N 2.83Å; L152-M156 HydrophobicContact CD1-CB 4.33Å; L152-M156 HydrophobicContact CD1-CG 4.11Å; L152-M156 HydrophobicContact CD1-SD 3.35Å; L152-M156 WeakPolarHBondContact CD1-SD 3.44Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 PolarHBondContact O-N 3.23Å; L152-K158 CarbonylContact C-O 3.54Å; L152-I160 HydrophobicContact CD2-CB 3.84Å; L152-I160 HydrophobicContact CD2-CD1 4.12Å; L152-I160 HydrophobicContact CD2-CG1 4.08Å; L152-L162 HydrophobicContact CD2-CD2 4.43Å; L152-A219 HydrophobicContact CD1-CB 4.21Å; L152-A219 HydrophobicContact CD2-CB 4.35Å; L152-M330 VanDerWaalsContact CA-SD 3.58Å; L152-M330 HydrophobicContact CB-CE 4.18Å; L152-M330 HydrophobicContact CB-SD 4.07Å; L152-M330 HydrophobicContact CD1-CE 3.66Å; L152-M330 PolarHBondContact N-SD 2.95Å
153	A	96.9	Very high	96.6	Very high	11 Å²	11	36.3 Å²	36.3	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-41.2	175.6	0	0	0	0	0	111.8	M126 E149 G157 K158 L159	M126-A153 HydrophobicContact CB-CB 4.21Å; M126-A153 HydrophobicContact CG-CB 3.96Å; E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.49Å; A153-G157 WeakPolarHBondContact O-CA 3.41Å; A153-G157 PolarHBondContact O-N 3.1Å; A153-K158 VanDerWaalsContact CA-O 3.22Å; A153-K158 WeakPolarHBondContact CA-O 3.01Å; A153-K158 PolarHBondContact N-O 3.24Å; A153-L159 HydrophobicContact CB-CB 4.38Å; A153-L159 HydrophobicContact CB-CD1 3.96Å
154	K	95.4	Very high	96.6	Very high	100 Å²	100	36.3 Å²	36.3	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-45.6	177.9	-171	178.4	179.4	-171.2	0	113.3	M126 G150 Q151 L152 K241 V242	M126-K154 HydrophobicContact CE-CB 3.67Å; M126-K154 HydrophobicContact CE-CD 4.37Å; M126-K154 HydrophobicContact CE-CG 4.21Å; G150-K154 WeakPolarHBondContact O-CB 3.34Å; G150-K154 PolarHBondContact O-N 3.44Å; G150-K154 VanDerWaalsContact O-N 3.12Å; Q151-K154 WeakPolarHBondContact O-CB 3.48Å; Q151-K154 PolarHBondContact O-N 2.73Å; L152-K154 VanDerWaalsContact C-N 3.29Å; L152-K154 PolarHBondContact O-N 2.82Å; K154-K241 PolarHBondContact NZ-O 2.78Å; K154-V242 WeakPolarHBondContact CD-O 3.33Å; K154-V242 WeakPolarHBondContact CE-O 3.37Å; K154-V242 PolarHBondContact NZ-O 2.94Å
155	K	93.8	Very high	96.6	Very high	116 Å²	116	36.3 Å²	36.3	50%	0.504	19%	0.194	S	C	.	.	H	α-helix	trans	-84.1	-40.4	-171.1	-75.3	-129	-179	180	0	113.1	Q151 L152 M330	Q151-K155 WeakPolarHBondContact O-CB 3.47Å; Q151-K155 PolarHBondContact O-N 2.89Å; L152-K155 PolarHBondContact O-N 2.83Å; K155-M330 HydrophobicContact CD-CB 3.94Å; K155-M330 VanDerWaalsContact CE-C 3.5Å; K155-M330 VanDerWaalsContact CE-O 3.28Å; K155-M330 WeakPolarHBondContact CE-O 3.34Å; K155-M330 HydrophobicContact CG-CB 4.29Å; K155-M330 PolarHBondContact NZ-O 3.43Å; K155-M330 PolarHBondContact NZ-OXT 3.21Å
156	M	90	Very high	96.6	Very high	116 Å²	116	36.2 Å²	36.2	57%	0.571	19%	0.193	S	C	*	.	H	α-helix	trans	-108.3	-7.9	-172	-61.3	-175.6	64.8	0	0	112.7	L152 K158	L152-M156 HydrophobicContact CD1-CB 4.33Å; L152-M156 HydrophobicContact CD1-CG 4.11Å; L152-M156 HydrophobicContact CD1-SD 3.35Å; L152-M156 WeakPolarHBondContact CD1-SD 3.44Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 PolarHBondContact O-N 3.23Å; M156-K158 PolarHBondContact O-N 2.87Å
157	G	91.8	Very high	96.6	Very high	69 Å²	69	36 Å²	36	71%	0.711	19%	0.19	S	C	*	.	S	Bend	trans	69.1	14.1	-176.6	0	0	0	0	0	113.6	A153	A153-G157 WeakPolarHBondContact O-CA 3.41Å; A153-G157 PolarHBondContact O-N 3.1Å
158	K	89.4	Confident	96.6	Very high	128 Å²	128	36.3 Å²	36.3	56%	0.557	19%	0.192	S	C	*	.			trans	-119.3	124.3	-178.7	-65.3	-175.3	-179.2	-176.3	0	110	L152 A153 M156 I160	L152-K158 CarbonylContact C-O 3.54Å; A153-K158 VanDerWaalsContact CA-O 3.22Å; A153-K158 WeakPolarHBondContact CA-O 3.01Å; A153-K158 PolarHBondContact N-O 3.24Å; M156-K158 PolarHBondContact O-N 2.87Å; K158-I160 HydrophobicContact CB-CD1 4.36Å; K158-I160 HydrophobicContact CB-CG1 4.26Å
159	L	95.6	Very high	96.6	Very high	72 Å²	72	37.2 Å²	37.2	38%	0.377	20%	0.197	S	C	.	.			trans	-96.2	111.6	170	-172.6	68.6	0	0	0	107.6	T128 A153	T128-L159 HydrophobicContact CG2-CD1 3.76Å; T128-L159 HydrophobicContact CG2-CD2 4.32Å; T128-L159 HydrophobicContact CG2-CG 3.86Å; A153-L159 HydrophobicContact CB-CB 4.38Å; A153-L159 HydrophobicContact CB-CD1 3.96Å
160	I	96.9	Very high	96.6	Very high	61 Å²	61	37.3 Å²	37.3	31%	0.313	20%	0.198	S	C	.	.			trans	-123.4	135.3	-179.4	-57.9	178.9	0	0	0	106.4	E149 L152 K158 L162 A218	E149-I160 WeakPolarHBondContact CG-O 3.31Å; L152-I160 HydrophobicContact CD2-CB 3.84Å; L152-I160 HydrophobicContact CD2-CD1 4.12Å; L152-I160 HydrophobicContact CD2-CG1 4.08Å; K158-I160 HydrophobicContact CB-CD1 4.36Å; K158-I160 HydrophobicContact CB-CG1 4.26Å; I160-L162 PolarHBondContact O-N 2.73Å; I160-A218 HydrophobicContact CG2-CB 4.21Å
161	D	98.3	Very high	96.6	Very high	59 Å²	59	37.5 Å²	37.5	32%	0.316	20%	0.199	S	C	.	.			trans	-68.3	121.3	171.6	-73.7	-38.5	0	0	0	109.2	T128 K131 E149 S197 E198	T128-D161 WeakPolarHBondContact CB-OD1 3.42Å; T128-D161 WeakPolarHBondContact CG2-OD1 3.32Å; K131-D161 WeakPolarHBondContact CE-OD1 3.28Å; K131-D161 IonicContact NZ-OD1 2.8Å; K131-D161 PolarHBondContact NZ-OD1 3.38Å; K131-D161 IonicContact NZ-OD2 3.35Å; K131-D161 PolarHBondContact NZ-OD2 2.89Å; E149-D161 WeakPolarHBondContact OE1-CA 3.13Å; D161-S197 WeakPolarHBondContact O-CA 3.19Å; D161-E198 HydrophobicContact CB-CB 3.74Å; D161-E198 HydrophobicContact CB-CG 4.45Å; D161-E198 PolarHBondContact O-N 3.26Å
162	L	98.6	Very high	96.6	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-97.4	147.1	178.3	-63.5	-179.7	0	0	0	110.3	A145 L148 E149 L152 I160 P164 I195 A218 A219	A145-L162 HydrophobicContact CB-CB 4.36Å; L148-L162 HydrophobicContact CB-CD1 3.45Å; L148-L162 VanDerWaalsContact CB-CD1 3.45Å; E149-L162 HydrophobicContact CG-CB 3.99Å; E149-L162 HydrophobicContact CG-CD1 3.91Å; E149-L162 HydrophobicContact CG-CG 3.71Å; E149-L162 PolarHBondContact OE1-N 2.75Å; L152-L162 HydrophobicContact CD2-CD2 4.43Å; I160-L162 PolarHBondContact O-N 2.73Å; L162-P164 WeakPolarHBondContact O-CD 3.43Å; L162-I195 HydrophobicContact CB-CD1 4.32Å; L162-I195 HydrophobicContact CD1-CG2 4.15Å; L162-I195 HydrophobicContact CD2-CG2 4.33Å; L162-A218 HydrophobicContact CD2-CB 3.58Å; L162-A219 HydrophobicContact CD1-CB 3.82Å; L162-A219 HydrophobicContact CD2-CB 3.85Å
163	S	98.8	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.			trans	-76.3	111.8	-172.7	175.7	0	0	0	0	113	Q165 N166 D196 Y201	S163-Q165 PolarHBondContact O-N 3.21Å; S163-Q165 PolarHBondContact OG-N 2.93Å; S163-N166 PolarHBondContact OG-N 3.46Å; S163-D196 WeakPolarHBondContact CB-O 3.41Å; S163-D196 PolarHBondContact N-O 3.26Å; S163-Y201 VanDerWaalsContact CB-O 3.25Å; S163-Y201 WeakPolarHBondContact CB-O 3.22Å; S163-Y201 PolarHBondContact OG-O 3.4Å
164	P	98.8	Very high	96.6	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-27.7	167.5	-14.9	33.1	0	0	0	111.1	A141 F142 A145 L162 L167 V168 E198 Y203	A141-P164 HydrophobicContact CB-CB 4.01Å; F142-P164 HydrophobicContact CD1-CB 4.25Å; F142-P164 HydrophobicContact CD1-CG 3.73Å; F142-P164 HydrophobicContact CD2-CB 4.21Å; F142-P164 HydrophobicContact CE1-CB 4.18Å; F142-P164 HydrophobicContact CE1-CG 3.59Å; F142-P164 HydrophobicContact CE2-CB 4.12Å; F142-P164 HydrophobicContact CE2-CG 4.42Å; F142-P164 HydrophobicContact CG-CB 4.27Å; F142-P164 HydrophobicContact CG-CG 4.22Å; F142-P164 HydrophobicContact CZ-CB 4.12Å; F142-P164 HydrophobicContact CZ-CG 3.97Å; A145-P164 HydrophobicContact CB-CG 4.28Å; L162-P164 WeakPolarHBondContact O-CD 3.43Å; P164-L167 WeakPolarHBondContact O-CA 3.25Å; P164-L167 WeakPolarHBondContact O-CB 3.49Å; P164-L167 PolarHBondContact O-N 3.36Å; P164-L167 VanDerWaalsContact O-N 3.07Å; P164-V168 WeakPolarHBondContact O-CG2 3.46Å; P164-V168 PolarHBondContact O-N 2.92Å; P164-E198 WeakPolarHBondContact CD-OE2 3.44Å; P164-Y203 HydrophobicContact CB-CD2 4.28Å
165	Q	98.9	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-38.7	179	-163.5	64.5	50.7	0	0	112.6	S163 L167 V168 D169 Y201 P202 Y203 V204 E206	S163-Q165 PolarHBondContact O-N 3.21Å; S163-Q165 PolarHBondContact OG-N 2.93Å; Q165-L167 PolarHBondContact O-N 2.92Å; Q165-V168 PolarHBondContact O-N 3.34Å; Q165-D169 PolarHBondContact NE2-OD1 3.07Å; Q165-D169 PolarHBondContact NE2-OD2 2.82Å; Q165-D169 WeakPolarHBondContact O-CB 3.42Å; Q165-D169 PolarHBondContact O-N 3.43Å; Q165-Y201 HydrophobicContact CB-CD1 3.84Å; Q165-Y201 HydrophobicContact CB-CE1 3.97Å; Q165-Y201 HydrophobicContact CG-CD1 3.86Å; Q165-Y201 HydrophobicContact CG-CE1 3.53Å; Q165-P202 WeakPolarHBondContact CB-O 3.49Å; Q165-Y203 HydrophobicContact CB-CD2 4.31Å; Q165-Y203 VanDerWaalsContact OE1-CD2 3.29Å; Q165-V204 VanDerWaalsContact CD-CG2 3.43Å; Q165-V204 HydrophobicContact CG-CG2 4.2Å; Q165-V204 VanDerWaalsContact OE1-CG2 3.23Å; Q165-E206 PolarHBondContact NE2-O 3.44Å
166	N	98.8	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-40.4	171.5	179	-175.2	0	0	0	110.1	S163 C170 Y188 I195 D196 Y201 Y212	S163-N166 PolarHBondContact OG-N 3.46Å; N166-C170 PolarHBondContact ND2-SG 2.86Å; N166-C170 WeakPolarHBondContact O-CB 3.36Å; N166-C170 PolarHBondContact O-N 3.16Å; N166-C170 PolarHBondContact O-SG 2.86Å; N166-Y188 PolarHBondContact ND2-OH 3.23Å; N166-I195 WeakPolarHBondContact OD1-CA 3.46Å; N166-D196 PolarHBondContact OD1-N 2.99Å; N166-Y201 HydrophobicContact CB-CD2 3.77Å; N166-Y201 HydrophobicContact CB-CE2 4.11Å; N166-Y201 HydrophobicContact CB-CG 4.22Å; N166-Y212 WeakPolarHBondContact OD1-CD2 3.47Å
167	L	98.9	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.7	-49.4	176.3	-60.3	177.3	0	0	0	111.4	W140 A141 P164 Q165 D169 C170 V171 A185 Y188 V189 I195	W140-L167 HydrophobicContact CH2-CB 4.15Å; W140-L167 WeakPolarHBondContact CH2-O 3.15Å; W140-L167 HydrophobicContact CZ3-CB 3.87Å; A141-L167 HydrophobicContact CB-CB 3.93Å; A141-L167 HydrophobicContact CB-CD1 4.22Å; P164-L167 WeakPolarHBondContact O-CA 3.25Å; P164-L167 WeakPolarHBondContact O-CB 3.49Å; P164-L167 PolarHBondContact O-N 3.36Å; P164-L167 VanDerWaalsContact O-N 3.07Å; Q165-L167 PolarHBondContact O-N 2.92Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 2.86Å; L167-C170 PolarHBondContact O-N 3.1Å; L167-V171 HydrophobicContact CB-CG2 4.2Å; L167-V171 HydrophobicContact CD2-CG2 4.07Å; L167-V171 WeakPolarHBondContact O-CB 3.5Å; L167-V171 WeakPolarHBondContact O-CG2 3.24Å; L167-V171 PolarHBondContact O-N 3.4Å; L167-A185 HydrophobicContact CD1-CB 4.18Å; L167-A185 HydrophobicContact CD2-CB 4.17Å; L167-Y188 HydrophobicContact CD2-CD1 3.86Å; L167-Y188 HydrophobicContact CD2-CE1 4.17Å; L167-V189 HydrophobicContact CD2-CG2 3.75Å; L167-I195 HydrophobicContact CD1-CD1 4.09Å; L167-I195 HydrophobicContact CD2-CD1 3.85Å; L167-I195 HydrophobicContact CG-CD1 3.8Å
168	V	98.9	Very high	97.7	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-51.6	-49.2	178.6	169.4	0	0	0	0	111.2	W140 A141 P164 Q165	W140-V168 HydrophobicContact CZ2-CG2 4.45Å; A141-V168 HydrophobicContact CB-CG2 3.99Å; P164-V168 WeakPolarHBondContact O-CG2 3.46Å; P164-V168 PolarHBondContact O-N 2.92Å; Q165-V168 PolarHBondContact O-N 3.34Å
169	D	98.8	Very high	98.1	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-81.2	-23	-172.5	-63.3	-16.3	0	0	0	113.9	Q165 L167 Y201 Q208 C210	Q165-D169 PolarHBondContact NE2-OD1 3.07Å; Q165-D169 PolarHBondContact NE2-OD2 2.82Å; Q165-D169 WeakPolarHBondContact O-CB 3.42Å; Q165-D169 PolarHBondContact O-N 3.43Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 2.86Å; D169-Y201 WeakPolarHBondContact CB-OH 3.35Å; D169-Y201 VanDerWaalsContact OD2-CE1 3.27Å; D169-Y201 WeakPolarHBondContact OD2-CE1 3.33Å; D169-Y201 VanDerWaalsContact OD2-CZ 3.24Å; D169-Y201 PolarHBondContact OD2-OH 3.16Å; D169-Q208 WeakPolarHBondContact CB-O 3.46Å; D169-Q208 PolarHBondContact OD1-N 3.45Å; D169-C210 WeakPolarHBondContact O-CB 3.4Å
170	C	98.6	Very high	98.2	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-117.2	-17	-166.4	-55.8	0	0	0	0	115.6	N166 L167 T172 Y188 C210	N166-C170 PolarHBondContact ND2-SG 2.86Å; N166-C170 WeakPolarHBondContact O-CB 3.36Å; N166-C170 PolarHBondContact O-N 3.16Å; N166-C170 PolarHBondContact O-SG 2.86Å; L167-C170 PolarHBondContact O-N 3.1Å; C170-T172 PolarHBondContact O-N 3.37Å; C170-T172 VanDerWaalsContact O-N 3.12Å; C170-Y188 HydrophobicContact CB-CE1 4.17Å; C170-Y188 HydrophobicContact CB-CE2 3.67Å; C170-Y188 VanDerWaalsContact CB-CZ 3.4Å; C170-Y188 WeakPolarHBondContact CB-OH 3.38Å; C170-C210 HydrophobicContact CB-CB 3.88Å; C170-C210 WeakPolarHBondContact CB-SG 3.27Å; C170-C210 VanDerWaalsContact SG-CA 3.54Å; C170-C210 WeakPolarHBondContact SG-CB 3.48Å; C170-C210 CovalentContact SG-SG 2.04Å; C170-C210 PolarHBondContact SG-SG 2.9Å
171	V	98.4	Very high	98.2	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	15%	0.153	C	C	.	.			trans	-82	91.5	178	-176.5	0	0	0	0	109.1	W140 L167 E173 N174 N184 A185 Y188	W140-V171 HydrophobicContact CH2-CB 4.01Å; W140-V171 HydrophobicContact CH2-CG2 4.18Å; W140-V171 HydrophobicContact CZ3-CB 4.24Å; W140-V171 HydrophobicContact CZ3-CG2 4.08Å; L167-V171 HydrophobicContact CB-CG2 4.2Å; L167-V171 HydrophobicContact CD2-CG2 4.07Å; L167-V171 WeakPolarHBondContact O-CB 3.5Å; L167-V171 WeakPolarHBondContact O-CG2 3.24Å; L167-V171 PolarHBondContact O-N 3.4Å; V171-E173 PolarHBondContact O-N 3.3Å; V171-N174 HydrophobicContact CB-CB 4.3Å; V171-N174 HydrophobicContact CG1-CB 3.94Å; V171-N174 PolarHBondContact O-N 3.05Å; V171-N184 HydrophobicContact CG1-CB 4.06Å; V171-A185 HydrophobicContact CG2-CB 4.42Å; V171-Y188 HydrophobicContact CG2-CD1 3.69Å; V171-Y188 HydrophobicContact CG2-CD2 4.38Å; V171-Y188 HydrophobicContact CG2-CE1 4.45Å; V171-Y188 HydrophobicContact CG2-CG 3.66Å
172	T	96.8	Very high	98.3	Very high	126 Å²	126	22.8 Å²	22.8	77%	0.773	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	-174.9	50.2	0	0	0	0	114.9	C170 N174	C170-T172 PolarHBondContact O-N 3.37Å; C170-T172 VanDerWaalsContact O-N 3.12Å; T172-N174 VanDerWaalsContact C-N 3.29Å
173	E	96.3	Very high	98.2	Very high	100 Å²	100	22.8 Å²	22.8	47%	0.467	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8	174.9	-61.4	87.8	159.6	0	0	113.1	V171 N184	V171-E173 PolarHBondContact O-N 3.3Å; E173-N184 HydrophobicContact CB-CB 4.33Å; E173-N184 PolarHBondContact O-ND2 3.42Å
174	N	97.7	Very high	98.1	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	15%	0.147	C	C	.	.	S	Bend	trans	-107.5	170.2	167.7	-71.3	-18.5	0	0	0	109	W140 V171 T172 G180 Y181 N184	W140-N174 HydrophobicContact CH2-CB 3.81Å; W140-N174 WeakPolarHBondContact CH2-ND2 3.23Å; W140-N174 HydrophobicContact CZ2-CB 3.79Å; W140-N174 HydrophobicContact CZ3-CB 4.3Å; W140-N174 WeakPolarHBondContact CZ3-ND2 3.22Å; V171-N174 HydrophobicContact CB-CB 4.3Å; V171-N174 HydrophobicContact CG1-CB 3.94Å; V171-N174 PolarHBondContact O-N 3.05Å; T172-N174 VanDerWaalsContact C-N 3.29Å; N174-G180 WeakPolarHBondContact OD1-CA 3.42Å; N174-Y181 PolarHBondContact ND2-N 3.08Å; N174-Y181 PolarHBondContact ND2-O 2.58Å; N174-Y181 VanDerWaalsContact ND2-O 3.1Å; N174-Y181 PolarHBondContact OD1-N 2.85Å; N174-N184 WeakPolarHBondContact OD1-CB 3.38Å; N174-N184 PolarHBondContact OD1-ND2 3.06Å
175	D	97.7	Very high	98.1	Very high	111 Å²	111	24.2 Å²	24.2	59%	0.594	15%	0.146	S	C	*	.			trans	-111.7	38.7	-176.3	-165.5	37.3	0	0	0	111.2	C177 G178 G179	D175-C177 PolarHBondContact O-N 3.45Å; D175-C177 VanDerWaalsContact O-N 3.15Å; D175-G178 VanDerWaalsContact O-CA 3.25Å; D175-G178 WeakPolarHBondContact O-CA 3.5Å; D175-G178 PolarHBondContact O-N 3.24Å; D175-G179 CarbonylContact C-O 3.29Å; D175-G179 WeakPolarHBondContact CA-O 3.31Å; D175-G179 PolarHBondContact N-O 2.88Å; D175-G179 PolarHBondContact O-N 3.4Å
176	G	98.3	Very high	98	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	52.5	-119.7	177.2	0	0	0	0	0	113.7	W140 G178 G179 D207	W140-G176 PolarHBondContact NE1-O 2.97Å; G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G179 PolarHBondContact O-N 3.45Å; G176-D207 VanDerWaalsContact CA-OD1 3.24Å; G176-D207 WeakPolarHBondContact CA-OD1 3.16Å
177	C	98.4	Very high	97.9	Very high	26 Å²	26	26.2 Å²	26.2	18%	0.176	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-73.3	-15.9	173.3	-72	0	0	0	0	114.4	C136 G137 D175 D207	C136-C177 HydrophobicContact CB-CB 3.91Å; C136-C177 WeakPolarHBondContact CB-SG 3.41Å; C136-C177 WeakPolarHBondContact SG-CA 3.32Å; C136-C177 WeakPolarHBondContact SG-CB 3.36Å; C136-C177 CovalentContact SG-SG 2.04Å; C136-C177 PolarHBondContact SG-SG 3.29Å; G137-C177 WeakPolarHBondContact CA-O 3.27Å; G137-C177 PolarHBondContact N-O 3.46Å; D175-C177 PolarHBondContact O-N 3.45Å; D175-C177 VanDerWaalsContact O-N 3.15Å; C177-D207 PolarHBondContact N-OD1 2.66Å
178	G	97.9	Very high	97.9	Very high	43 Å²	43	27.2 Å²	27.2	44%	0.443	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-72.3	-17.8	169.4	0	0	0	0	0	113.4	D175 G176	D175-G178 VanDerWaalsContact O-CA 3.25Å; D175-G178 WeakPolarHBondContact O-CA 3.5Å; D175-G178 PolarHBondContact O-N 3.24Å; G176-G178 VanDerWaalsContact C-N 3.32Å
179	G	98.2	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.			trans	126.8	177.4	170.4	0	0	0	0	0	113.9	G93 D175 G176	G93-G179 CarbonylContact O-C 3.58Å; G93-G179 WeakPolarHBondContact O-CA 3.01Å; D175-G179 CarbonylContact C-O 3.29Å; D175-G179 WeakPolarHBondContact CA-O 3.31Å; D175-G179 PolarHBondContact N-O 2.88Å; D175-G179 PolarHBondContact O-N 3.4Å; G176-G179 PolarHBondContact O-N 3.45Å
180	G	98.2	Very high	97.8	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	177.1	-177.3	-173.6	0	0	0	0	0	114.1	G93 L94 L95 W140 N174	G93-G180 PolarHBondContact O-N 2.83Å; L94-G180 WeakPolarHBondContact CA-O 3.42Å; L94-G180 WeakPolarHBondContact CD1-O 3.14Å; L95-G180 PolarHBondContact N-O 3.02Å; W140-G180 WeakPolarHBondContact CB-O 3.14Å; N174-G180 WeakPolarHBondContact OD1-CA 3.42Å
181	Y	98.1	Very high	97.7	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.199	C	C	.	.			trans	-126.3	144.9	-176.9	-157.9	-119.9	0	0	0	111.9	L94 L95 V96 P97 H100 N174 T183 N184 A185 L324	L94-Y181 HydrophobicContact CD1-CD2 3.5Å; L94-Y181 HydrophobicContact CD1-CE2 3.93Å; L95-Y181 WeakPolarHBondContact O-CB 3.25Å; L95-Y181 WeakPolarHBondContact O-CD2 3.34Å; V96-Y181 HydrophobicContact CG2-CE2 4.48Å; P97-Y181 HydrophobicContact CG-CD1 4.03Å; P97-Y181 HydrophobicContact CG-CG 4.09Å; H100-Y181 AromaticContact CD2-CE1 3.52Å; H100-Y181 AromaticContact NE2-CE1 3.38Å; H100-Y181 WeakPolarHBondContact NE2-CE1 3.36Å; N174-Y181 PolarHBondContact ND2-N 3.08Å; N174-Y181 PolarHBondContact ND2-O 2.58Å; N174-Y181 VanDerWaalsContact ND2-O 3.1Å; N174-Y181 PolarHBondContact OD1-N 2.85Å; Y181-T183 HydrophobicContact CD1-CG2 4.29Å; Y181-T183 WeakPolarHBondContact CD1-OG1 3.47Å; Y181-T183 HydrophobicContact CE1-CG2 3.81Å; Y181-T183 WeakPolarHBondContact CE1-OG1 3.38Å; Y181-T183 PolarHBondContact O-N 2.94Å; Y181-N184 PolarHBondContact O-N 2.75Å; Y181-A185 PolarHBondContact O-N 3.42Å; Y181-L324 HydrophobicContact CE2-CB 4.3Å; Y181-L324 HydrophobicContact CE2-CD1 4.14Å; Y181-L324 HydrophobicContact CE2-CD2 4.32Å; Y181-L324 HydrophobicContact CE2-CG 4.48Å; Y181-L324 WeakPolarHBondContact OH-CD2 3.39Å
182	M	98.6	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-33.3	-173.2	-55.5	81.8	81.6	0	0	113	L94 S144 A185 F186 A277 L324	L94-M182 HydrophobicContact CD1-CE 4.38Å; L94-M182 HydrophobicContact CD1-SD 3.4Å; L94-M182 WeakPolarHBondContact CD1-SD 3.34Å; S144-M182 VanDerWaalsContact OG-CA 3.3Å; S144-M182 WeakPolarHBondContact OG-CA 3.13Å; S144-M182 WeakPolarHBondContact OG-CB 3.4Å; M182-A185 WeakPolarHBondContact O-CB 3.46Å; M182-A185 PolarHBondContact O-N 2.97Å; M182-F186 HydrophobicContact CB-CE2 4.06Å; M182-F186 HydrophobicContact CB-CZ 4.3Å; M182-F186 VanDerWaalsContact O-CD2 3.25Å; M182-F186 WeakPolarHBondContact O-CD2 3.43Å; M182-F186 WeakPolarHBondContact O-CG 3.25Å; M182-F186 PolarHBondContact O-N 3.22Å; M182-A277 HydrophobicContact CE-CB 4.41Å; M182-A277 HydrophobicContact CG-CB 4.36Å; M182-A277 HydrophobicContact SD-CB 3.66Å; M182-L324 WeakPolarHBondContact CE-O 3.48Å
183	T	97	Very high	97.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-71	-32.4	-179.4	61.3	0	0	0	0	112.3	Y181 A185 F186 N187 Y224 E226	Y181-T183 HydrophobicContact CD1-CG2 4.29Å; Y181-T183 WeakPolarHBondContact CD1-OG1 3.47Å; Y181-T183 HydrophobicContact CE1-CG2 3.81Å; Y181-T183 WeakPolarHBondContact CE1-OG1 3.38Å; Y181-T183 PolarHBondContact O-N 2.94Å; T183-A185 VanDerWaalsContact C-N 3.32Å; T183-A185 PolarHBondContact O-N 3.23Å; T183-F186 PolarHBondContact O-N 2.82Å; T183-N187 WeakPolarHBondContact O-CB 3.48Å; T183-N187 PolarHBondContact O-N 3.03Å; T183-Y224 HydrophobicContact CG2-CD2 3.77Å; T183-Y224 HydrophobicContact CG2-CE2 3.6Å; T183-Y224 HydrophobicContact CG2-CG 4.46Å; T183-E226 HydrophobicContact CG2-CG 4.26Å
184	N	97	Very high	97.7	Very high	34 Å²	34	28.8 Å²	28.8	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-44.5	169.9	-69.5	-7.9	0	0	0	110.5	V171 E173 N174 Y181 N187 Y188	V171-N184 HydrophobicContact CG1-CB 4.06Å; E173-N184 HydrophobicContact CB-CB 4.33Å; E173-N184 PolarHBondContact O-ND2 3.42Å; N174-N184 WeakPolarHBondContact OD1-CB 3.38Å; N174-N184 PolarHBondContact OD1-ND2 3.06Å; Y181-N184 PolarHBondContact O-N 2.75Å; N184-N187 PolarHBondContact O-N 3.48Å; N184-Y188 WeakPolarHBondContact O-CB 3.28Å; N184-Y188 PolarHBondContact O-N 3.45Å
185	A	98.3	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-45.6	176.1	0	0	0	0	0	112.2	W140 S144 L167 V171 Y181 M182 T183 N187 Y188 V189	W140-A185 HydrophobicContact CE3-CB 4.11Å; W140-A185 HydrophobicContact CZ3-CB 3.94Å; S144-A185 WeakPolarHBondContact OG-CB 3.24Å; L167-A185 HydrophobicContact CD1-CB 4.18Å; L167-A185 HydrophobicContact CD2-CB 4.17Å; V171-A185 HydrophobicContact CG2-CB 4.42Å; Y181-A185 PolarHBondContact O-N 3.42Å; M182-A185 WeakPolarHBondContact O-CB 3.46Å; M182-A185 PolarHBondContact O-N 2.97Å; T183-A185 VanDerWaalsContact C-N 3.32Å; T183-A185 PolarHBondContact O-N 3.23Å; A185-N187 VanDerWaalsContact C-N 3.33Å; A185-N187 PolarHBondContact O-N 2.88Å; A185-Y188 PolarHBondContact O-N 2.83Å; A185-V189 WeakPolarHBondContact O-CG2 3.21Å; A185-V189 PolarHBondContact O-N 3.48Å
186	F	98.1	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-38.5	177	-59.3	-38.5	0	0	0	113	S144 A147 L148 M182 T183 Q190 Y224 S246 P328	S144-F186 WeakPolarHBondContact O-CE1 3.41Å; A147-F186 HydrophobicContact CB-CE1 4.22Å; A147-F186 HydrophobicContact CB-CZ 3.95Å; L148-F186 HydrophobicContact CD1-CD1 4.34Å; L148-F186 HydrophobicContact CD1-CE1 4.47Å; L148-F186 HydrophobicContact CD2-CD1 4.48Å; L148-F186 HydrophobicContact CG-CD1 4.23Å; L148-F186 HydrophobicContact CG-CE1 4.16Å; M182-F186 HydrophobicContact CB-CE2 4.06Å; M182-F186 HydrophobicContact CB-CZ 4.3Å; M182-F186 VanDerWaalsContact O-CD2 3.25Å; M182-F186 WeakPolarHBondContact O-CD2 3.43Å; M182-F186 WeakPolarHBondContact O-CG 3.25Å; M182-F186 PolarHBondContact O-N 3.22Å; T183-F186 PolarHBondContact O-N 2.82Å; F186-Q190 PolarHBondContact O-N 3.36Å; F186-Q190 VanDerWaalsContact O-N 3.12Å; F186-Y224 HydrophobicContact CB-CD1 3.89Å; F186-Y224 HydrophobicContact CB-CG 4.18Å; F186-Y224 HydrophobicContact CD2-CG 4.26Å; F186-S246 WeakPolarHBondContact CZ-OG 3.34Å; F186-P328 HydrophobicContact CD1-CB 3.77Å; F186-P328 HydrophobicContact CD1-CG 4.13Å; F186-P328 HydrophobicContact CE1-CB 4Å; F186-P328 HydrophobicContact CE1-CG 3.83Å; F186-P328 HydrophobicContact CG-CB 4.14Å; F186-P328 HydrophobicContact CZ-CG 4.27Å
187	N	96.4	Very high	97.8	Very high	41 Å²	41	23 Å²	23	22%	0.219	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-45.3	175.1	-178.2	56.8	0	0	0	111.2	T183 N184 A185 V189 Q190 Q191 Y224	T183-N187 WeakPolarHBondContact O-CB 3.48Å; T183-N187 PolarHBondContact O-N 3.03Å; N184-N187 PolarHBondContact O-N 3.48Å; A185-N187 VanDerWaalsContact C-N 3.33Å; A185-N187 PolarHBondContact O-N 2.88Å; N187-V189 PolarHBondContact O-N 3.19Å; N187-Q190 WeakPolarHBondContact O-CB 3.03Å; N187-Q190 PolarHBondContact O-N 3.3Å; N187-Q191 PolarHBondContact ND2-NE2 2.8Å; N187-Q191 WeakPolarHBondContact O-CG 3.47Å; N187-Q191 PolarHBondContact O-N 3.21Å; N187-Q191 PolarHBondContact OD1-NE2 2.93Å; N187-Q191 VanDerWaalsContact OD1-NE2 3.12Å; N187-Y224 HydrophobicContact CB-CE1 4.2Å
188	Y	97.9	Very high	97.8	Very high	22 Å²	22	24 Å²	24	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-55.3	-52	173.2	163	-98.1	0	0	0	111.3	N166 L167 C170 V171 N184 A185 Q190 Q191 N192	N166-Y188 PolarHBondContact ND2-OH 3.23Å; L167-Y188 HydrophobicContact CD2-CD1 3.86Å; L167-Y188 HydrophobicContact CD2-CE1 4.17Å; C170-Y188 HydrophobicContact CB-CE1 4.17Å; C170-Y188 HydrophobicContact CB-CE2 3.67Å; C170-Y188 VanDerWaalsContact CB-CZ 3.4Å; C170-Y188 WeakPolarHBondContact CB-OH 3.38Å; V171-Y188 HydrophobicContact CG2-CD1 3.69Å; V171-Y188 HydrophobicContact CG2-CD2 4.38Å; V171-Y188 HydrophobicContact CG2-CE1 4.45Å; V171-Y188 HydrophobicContact CG2-CG 3.66Å; N184-Y188 WeakPolarHBondContact O-CB 3.28Å; N184-Y188 PolarHBondContact O-N 3.45Å; A185-Y188 PolarHBondContact O-N 2.83Å; Y188-Q190 PolarHBondContact O-N 2.89Å; Y188-Q191 PolarHBondContact O-N 2.86Å; Y188-N192 HydrophobicContact CD2-CB 4.11Å; Y188-N192 HydrophobicContact CE1-CB 4.21Å; Y188-N192 HydrophobicContact CE2-CB 3.71Å; Y188-N192 WeakPolarHBondContact O-CB 3.43Å; Y188-N192 PolarHBondContact O-N 3.04Å; Y188-N192 VanDerWaalsContact OH-CG 3.3Å; Y188-N192 PolarHBondContact OH-ND2 3.12Å; Y188-N192 VanDerWaalsContact OH-ND2 3.13Å; Y188-N192 PolarHBondContact OH-OD1 3.31Å
189	V	98.3	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-33.7	-178.8	177.8	0	0	0	0	111.6	L148 L167 A185 N187 G193 G194 I195 C221	L148-V189 HydrophobicContact CD1-CG1 4.5Å; L148-V189 HydrophobicContact CD1-CG2 4.04Å; L167-V189 HydrophobicContact CD2-CG2 3.75Å; A185-V189 WeakPolarHBondContact O-CG2 3.21Å; A185-V189 PolarHBondContact O-N 3.48Å; N187-V189 PolarHBondContact O-N 3.19Å; V189-G193 PolarHBondContact O-N 2.9Å; V189-G194 PolarHBondContact O-N 3.32Å; V189-G194 VanDerWaalsContact O-N 3.12Å; V189-I195 HydrophobicContact CG1-CB 4.03Å; V189-I195 HydrophobicContact CG1-CG2 3.85Å; V189-I195 HydrophobicContact CG2-CB 3.96Å; V189-I195 HydrophobicContact CG2-CD1 4.31Å; V189-I195 HydrophobicContact CG2-CG2 4.4Å; V189-C221 HydrophobicContact CB-CB 3.94Å; V189-C221 HydrophobicContact CG1-CB 3.56Å
190	Q	97.4	Very high	97.8	Very high	81 Å²	81	34.3 Å²	34.3	38%	0.379	18%	0.179	S	C	.	.	H	α-helix	trans	-65.7	-49.5	173	178.2	-175.1	11.2	0	0	112	F186 N187 Y188 G193 C221 K222	F186-Q190 PolarHBondContact O-N 3.36Å; F186-Q190 VanDerWaalsContact O-N 3.12Å; N187-Q190 WeakPolarHBondContact O-CB 3.03Å; N187-Q190 PolarHBondContact O-N 3.3Å; Y188-Q190 PolarHBondContact O-N 2.89Å; Q190-G193 PolarHBondContact O-N 3.44Å; Q190-C221 WeakPolarHBondContact CA-O 3.3Å; Q190-C221 HydrophobicContact CB-CB 4.4Å; Q190-K222 PolarHBondContact NE2-O 3.02Å
191	Q	97.4	Very high	97.9	Very high	135 Å²	135	34.3 Å²	34.3	63%	0.631	18%	0.178	S	C	*	.	H	α-helix	trans	-73.4	-39.7	-175.2	-66.8	-175.8	13	0	0	113	N187 Y188 G193	N187-Q191 PolarHBondContact ND2-NE2 2.8Å; N187-Q191 WeakPolarHBondContact O-CG 3.47Å; N187-Q191 PolarHBondContact O-N 3.21Å; N187-Q191 PolarHBondContact OD1-NE2 2.93Å; N187-Q191 VanDerWaalsContact OD1-NE2 3.12Å; Y188-Q191 PolarHBondContact O-N 2.86Å; Q191-G193 PolarHBondContact O-N 2.85Å
192	N	97.6	Very high	97.9	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-66.7	-19.1	175.8	-171.6	60.3	0	0	0	112.2	Y188 G194 Y212	Y188-N192 HydrophobicContact CD2-CB 4.11Å; Y188-N192 HydrophobicContact CE1-CB 4.21Å; Y188-N192 HydrophobicContact CE2-CB 3.71Å; Y188-N192 WeakPolarHBondContact O-CB 3.43Å; Y188-N192 PolarHBondContact O-N 3.04Å; Y188-N192 VanDerWaalsContact OH-CG 3.3Å; Y188-N192 PolarHBondContact OH-ND2 3.12Å; Y188-N192 VanDerWaalsContact OH-ND2 3.13Å; Y188-N192 PolarHBondContact OH-OD1 3.31Å; N192-G194 VanDerWaalsContact C-N 3.29Å; N192-G194 PolarHBondContact ND2-O 3.5Å; N192-Y212 WeakPolarHBondContact ND2-CD1 3.2Å; N192-Y212 WeakPolarHBondContact ND2-CE1 3.45Å; N192-Y212 WeakPolarHBondContact ND2-CE2 3.19Å; N192-Y212 WeakPolarHBondContact OD1-CD1 3.27Å
193	G	97	Very high	97.9	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	12.6	-178.7	0	0	0	0	0	113.7	V189 Q190 Q191 M217 Q220	V189-G193 PolarHBondContact O-N 2.9Å; Q190-G193 PolarHBondContact O-N 3.44Å; Q191-G193 PolarHBondContact O-N 2.85Å; G193-M217 VanDerWaalsContact O-SD 3.4Å; G193-Q220 WeakPolarHBondContact O-CG 3.37Å; G193-Q220 PolarHBondContact O-NE2 3.36Å
194	G	97.4	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.			trans	166.2	173.5	178.2	0	0	0	0	0	115	V189 N192 A219	V189-G194 PolarHBondContact O-N 3.32Å; V189-G194 VanDerWaalsContact O-N 3.12Å; N192-G194 VanDerWaalsContact C-N 3.29Å; N192-G194 PolarHBondContact ND2-O 3.5Å; G194-A219 CarbonylContact C-O 3.59Å; G194-A219 WeakPolarHBondContact CA-O 3.49Å
195	I	98.6	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.5	170.4	175.3	162.8	0	0	0	108.6	L148 L162 N166 L167 V189 A218 A219	L148-I195 HydrophobicContact CD1-CD1 4.27Å; L148-I195 HydrophobicContact CD1-CG2 4.43Å; L162-I195 HydrophobicContact CB-CD1 4.32Å; L162-I195 HydrophobicContact CD1-CG2 4.15Å; L162-I195 HydrophobicContact CD2-CG2 4.33Å; N166-I195 WeakPolarHBondContact OD1-CA 3.46Å; L167-I195 HydrophobicContact CD1-CD1 4.09Å; L167-I195 HydrophobicContact CD2-CD1 3.85Å; L167-I195 HydrophobicContact CG-CD1 3.8Å; V189-I195 HydrophobicContact CG1-CB 4.03Å; V189-I195 HydrophobicContact CG1-CG2 3.85Å; V189-I195 HydrophobicContact CG2-CB 3.96Å; V189-I195 HydrophobicContact CG2-CD1 4.31Å; V189-I195 HydrophobicContact CG2-CG2 4.4Å; I195-A218 PolarHBondContact O-N 3.46Å; I195-A219 HydrophobicContact CG2-CB 3.78Å; I195-A219 PolarHBondContact N-O 3.44Å; I195-A219 PolarHBondContact O-N 3.48Å
196	D	98.6	Very high	98	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	157.5	177.7	-73	-18	0	0	0	112.5	S163 N166 Y201 Y212 N213 G216 M217	S163-D196 WeakPolarHBondContact CB-O 3.41Å; S163-D196 PolarHBondContact N-O 3.26Å; N166-D196 PolarHBondContact OD1-N 2.99Å; D196-Y201 HydrophobicContact CB-CD2 4.5Å; D196-Y212 WeakPolarHBondContact OD1-CD2 3.46Å; D196-Y212 VanDerWaalsContact OD1-CE2 3.24Å; D196-Y212 WeakPolarHBondContact OD1-CE2 3.38Å; D196-Y212 WeakPolarHBondContact OD2-CD2 3.41Å; D196-N213 VanDerWaalsContact OD1-O 3.05Å; D196-N213 PolarHBondContact OD2-N 2.99Å; D196-G216 WeakPolarHBondContact CA-O 3.4Å; D196-G216 WeakPolarHBondContact OD1-CA 3.47Å; D196-M217 PolarHBondContact OD1-N 3.3Å; D196-M217 VanDerWaalsContact OD1-N 3.09Å
197	S	98.4	Very high	98	Very high	13 Å²	13	52 Å²	52	9%	0.091	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-71.7	154.9	167.2	58.9	0	0	0	0	111.7	D161 E199 V200 Y201 G216	D161-S197 WeakPolarHBondContact O-CA 3.19Å; S197-E199 PolarHBondContact O-N 2.66Å; S197-V200 PolarHBondContact O-N 3.45Å; S197-V200 WeakPolarHBondContact OG-CG2 3.44Å; S197-V200 PolarHBondContact OG-N 3.23Å; S197-Y201 PolarHBondContact O-N 3.32Å; S197-G216 PolarHBondContact N-O 2.87Å
198	E	98.4	Very high	98	Very high	47 Å²	47	53 Å²	53	22%	0.22	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.5	171.5	-179.9	60.6	-160.5	0	0	112.1	D161 P164 V200 Y201 P202 Y203	D161-E198 HydrophobicContact CB-CB 3.74Å; D161-E198 HydrophobicContact CB-CG 4.45Å; D161-E198 PolarHBondContact O-N 3.26Å; P164-E198 WeakPolarHBondContact CD-OE2 3.44Å; E198-V200 PolarHBondContact O-N 2.85Å; E198-Y201 CarbonylContact O-C 3.42Å; E198-P202 VanDerWaalsContact O-CA 3.23Å; E198-P202 WeakPolarHBondContact O-CA 3.42Å; E198-Y203 PolarHBondContact OE1-N 3.42Å
199	E	98.1	Very high	98.1	Very high	178 Å²	178	57 Å²	57	83%	0.832	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-39.9	178.3	-176.3	-179.8	175.8	0	0	112.5	S197	S197-E199 PolarHBondContact O-N 2.66Å
200	V	98.1	Very high	98.1	Very high	81 Å²	81	60.2 Å²	60.2	49%	0.491	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-29.8	-176.5	178	0	0	0	0	111.9	S197 E198	S197-V200 PolarHBondContact O-N 3.45Å; S197-V200 WeakPolarHBondContact OG-CG2 3.44Å; S197-V200 PolarHBondContact OG-N 3.23Å; E198-V200 PolarHBondContact O-N 2.85Å
201	Y	98.6	Very high	98.1	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.012	34%	0.34	C	S	.	.	S	Bend	trans	-130.4	78	177.9	-156.9	-28.6	0	0	0	110.3	S163 Q165 N166 D169 D196 S197 E198 R211	S163-Y201 VanDerWaalsContact CB-O 3.25Å; S163-Y201 WeakPolarHBondContact CB-O 3.22Å; S163-Y201 PolarHBondContact OG-O 3.4Å; Q165-Y201 HydrophobicContact CB-CD1 3.84Å; Q165-Y201 HydrophobicContact CB-CE1 3.97Å; Q165-Y201 HydrophobicContact CG-CD1 3.86Å; Q165-Y201 HydrophobicContact CG-CE1 3.53Å; N166-Y201 HydrophobicContact CB-CD2 3.77Å; N166-Y201 HydrophobicContact CB-CE2 4.11Å; N166-Y201 HydrophobicContact CB-CG 4.22Å; D169-Y201 WeakPolarHBondContact CB-OH 3.35Å; D169-Y201 VanDerWaalsContact OD2-CE1 3.27Å; D169-Y201 WeakPolarHBondContact OD2-CE1 3.33Å; D169-Y201 VanDerWaalsContact OD2-CZ 3.24Å; D169-Y201 PolarHBondContact OD2-OH 3.16Å; D196-Y201 HydrophobicContact CB-CD2 4.5Å; S197-Y201 PolarHBondContact O-N 3.32Å; E198-Y201 CarbonylContact O-C 3.42Å; Y201-R211 HydrophobicContact CE2-CB 3.81Å; Y201-R211 PolarHBondContact OH-N 2.8Å
202	P	98.5	Very high	98.1	Very high	62 Å²	62	58.5 Å²	58.5	40%	0.403	32%	0.318	S	S	.	.			trans	-67.4	149.8	-174.2	-21.5	33.9	0	0	0	113.7	Q165 E198	Q165-P202 WeakPolarHBondContact CB-O 3.49Å; E198-P202 VanDerWaalsContact O-CA 3.23Å; E198-P202 WeakPolarHBondContact O-CA 3.42Å
203	Y	98.8	Very high	97.8	Very high	43 Å²	43	59.9 Å²	59.9	17%	0.169	33%	0.326	C	S	.	.			trans	-69.2	127.6	172.5	-171	-105.5	0	0	0	112.6	Q133 C136 S138 F142 P164 Q165 E198 G205	Q133-Y203 WeakPolarHBondContact O-CE1 3.4Å; Q133-Y203 PolarHBondContact O-OH 3.08Å; C136-Y203 WeakPolarHBondContact CB-OH 3.09Å; C136-Y203 PolarHBondContact SG-OH 2.79Å; S138-Y203 PolarHBondContact OG-OH 2.61Å; F142-Y203 HydrophobicContact CE2-CD2 4.11Å; F142-Y203 HydrophobicContact CE2-CE1 4.05Å; F142-Y203 AromaticContact CE2-CE2 3.61Å; F142-Y203 HydrophobicContact CE2-CE2 3.61Å; F142-Y203 AromaticContact CE2-CZ 3.57Å; F142-Y203 AromaticContact CZ-CD1 3.88Å; F142-Y203 HydrophobicContact CZ-CD1 3.88Å; F142-Y203 AromaticContact CZ-CD2 3.88Å; F142-Y203 HydrophobicContact CZ-CD2 3.88Å; F142-Y203 AromaticContact CZ-CE1 3.81Å; F142-Y203 HydrophobicContact CZ-CE1 3.81Å; F142-Y203 AromaticContact CZ-CE2 3.82Å; F142-Y203 HydrophobicContact CZ-CE2 3.82Å; F142-Y203 AromaticContact CZ-CG 3.9Å; F142-Y203 HydrophobicContact CZ-CG 3.9Å; F142-Y203 AromaticContact CZ-CZ 3.78Å; P164-Y203 HydrophobicContact CB-CD2 4.28Å; Q165-Y203 HydrophobicContact CB-CD2 4.31Å; Q165-Y203 VanDerWaalsContact OE1-CD2 3.29Å; E198-Y203 PolarHBondContact OE1-N 3.42Å; Y203-G205 VanDerWaalsContact CZ-CA 3.41Å; Y203-G205 WeakPolarHBondContact OH-CA 3.13Å
204	V	98.3	Very high	97.7	Very high	70 Å²	70	62.9 Å²	62.9	42%	0.424	34%	0.342	S	S	.	.			trans	-112.8	-20.2	178.1	-63.3	0	0	0	0	112.9	Q165 E206 Q208	Q165-V204 VanDerWaalsContact CD-CG2 3.43Å; Q165-V204 HydrophobicContact CG-CG2 4.2Å; Q165-V204 VanDerWaalsContact OE1-CG2 3.23Å; V204-E206 HydrophobicContact CB-CG 4.29Å; V204-E206 HydrophobicContact CG2-CG 3.69Å; V204-Q208 HydrophobicContact CG2-CG 4.15Å
205	G	97.3	Very high	97.6	Very high	25 Å²	25	67.9 Å²	67.9	26%	0.258	38%	0.377	S	S	.	.	S	Bend	trans	77.6	27.4	177.3	0	0	0	0	0	115	C136 Y203	C136-G205 WeakPolarHBondContact CB-O 3.11Å; Y203-G205 VanDerWaalsContact CZ-CA 3.41Å; Y203-G205 WeakPolarHBondContact OH-CA 3.13Å
206	E	98	Very high	97.4	Very high	112 Å²	112	68.1 Å²	68.1	52%	0.523	38%	0.38	S	S	.	.	S	Bend	trans	-150.3	160.2	175.3	57.4	178	-159.5	0	0	109.4	Q165 V204 Q208	Q165-E206 PolarHBondContact NE2-O 3.44Å; V204-E206 HydrophobicContact CB-CG 4.29Å; V204-E206 HydrophobicContact CG2-CG 3.69Å; E206-Q208 HydrophobicContact CG-CG 4.38Å; E206-Q208 PolarHBondContact OE1-NE2 3.38Å
207	D	98.3	Very high	97.3	Very high	95 Å²	95	71.8 Å²	71.8	51%	0.508	40%	0.398	S	S	.	.			trans	-72.9	130.8	176.1	-62.9	-45.4	0	0	0	111	G176 C177	G176-D207 VanDerWaalsContact CA-OD1 3.24Å; G176-D207 WeakPolarHBondContact CA-OD1 3.16Å; C177-D207 PolarHBondContact N-OD1 2.66Å
208	Q	98.1	Very high	97.3	Very high	64 Å²	64	72.2 Å²	72.2	30%	0.299	40%	0.403	S	S	.	.			trans	-129	170.3	172.2	-56.9	-171	-24.2	0	0	111	D169 V204 E206	D169-Q208 WeakPolarHBondContact CB-O 3.46Å; D169-Q208 PolarHBondContact OD1-N 3.45Å; V204-Q208 HydrophobicContact CG2-CG 4.15Å; E206-Q208 HydrophobicContact CG-CG 4.38Å; E206-Q208 PolarHBondContact OE1-NE2 3.38Å
209	S	98.2	Very high	97.2	Very high	104 Å²	104	70.2 Å²	70.2	73%	0.727	39%	0.394	S	S	*	.			trans	-66.2	138.7	168.6	-59.6	0	0	0	0	110.1	R211	S209-R211 WeakPolarHBondContact O-CG 3.41Å; S209-R211 PolarHBondContact O-N 2.92Å
210	C	98.4	Very high	97	Very high	69 Å²	69	67 Å²	67	47%	0.466	38%	0.379	S	S	.	.			trans	-54.7	124.9	176	-179.3	0	0	0	0	112.4	D169 C170	D169-C210 WeakPolarHBondContact O-CB 3.4Å; C170-C210 HydrophobicContact CB-CB 3.88Å; C170-C210 WeakPolarHBondContact CB-SG 3.27Å; C170-C210 VanDerWaalsContact SG-CA 3.54Å; C170-C210 WeakPolarHBondContact SG-CB 3.48Å; C170-C210 CovalentContact SG-SG 2.04Å; C170-C210 PolarHBondContact SG-SG 2.9Å
211	R	97.6	Very high	96.8	Very high	132 Å²	132	63.6 Å²	63.6	50%	0.498	36%	0.359	S	S	.	.			trans	-117.7	15.6	179.1	-62.8	179.4	-70.1	136.3	-8.8	114	Y201 S209 N213	Y201-R211 HydrophobicContact CE2-CB 3.81Å; Y201-R211 PolarHBondContact OH-N 2.8Å; S209-R211 WeakPolarHBondContact O-CG 3.41Å; S209-R211 PolarHBondContact O-N 2.92Å; R211-N213 PolarHBondContact O-N 3.15Å
212	Y	97.4	Very high	96.6	Very high	47 Å²	47	70.2 Å²	70.2	18%	0.184	39%	0.388	C	S	.	.			trans	-51.5	134.5	-176.8	171.8	-105.5	0	0	0	111.5	N166 N192 D196	N166-Y212 WeakPolarHBondContact OD1-CD2 3.47Å; N192-Y212 WeakPolarHBondContact ND2-CD1 3.2Å; N192-Y212 WeakPolarHBondContact ND2-CE1 3.45Å; N192-Y212 WeakPolarHBondContact ND2-CE2 3.19Å; N192-Y212 WeakPolarHBondContact OD1-CD1 3.27Å; D196-Y212 WeakPolarHBondContact OD1-CD2 3.46Å; D196-Y212 VanDerWaalsContact OD1-CE2 3.24Å; D196-Y212 WeakPolarHBondContact OD1-CE2 3.38Å; D196-Y212 WeakPolarHBondContact OD2-CD2 3.41Å
213	N	91.4	Very high	96.4	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	37%	0.372	S	S	.	.			trans	-137.4	124.3	176.8	-175	-38.2	0	0	0	110.2	D196 R211 S215 G216	D196-N213 VanDerWaalsContact OD1-O 3.05Å; D196-N213 PolarHBondContact OD2-N 2.99Å; R211-N213 PolarHBondContact O-N 3.15Å; N213-S215 PolarHBondContact O-N 3.09Å; N213-S215 WeakPolarHBondContact OD1-CB 3.5Å; N213-S215 PolarHBondContact OD1-N 2.67Å; N213-S215 PolarHBondContact OD1-OG 2.96Å; N213-G216 PolarHBondContact O-N 3.37Å
214	S	94.6	Very high	96.3	Very high	90 Å²	90	67 Å²	67	63%	0.629	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-52.1	-21.5	179.1	62.4	0	0	0	0	115.9	G216 M217	S214-G216 VanDerWaalsContact C-N 3.32Å; S214-M217 WeakPolarHBondContact O-CB 3.39Å; S214-M217 PolarHBondContact O-N 3.38Å
215	S	95.8	Very high	96.3	Very high	105 Å²	105	67 Å²	67	73%	0.734	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-71.2	-22.8	173.7	61.4	0	0	0	0	114.2	N213	N213-S215 PolarHBondContact O-N 3.09Å; N213-S215 WeakPolarHBondContact OD1-CB 3.5Å; N213-S215 PolarHBondContact OD1-N 2.67Å; N213-S215 PolarHBondContact OD1-OG 2.96Å
216	G	95.2	Very high	96.2	Very high	6 Å²	6	65.8 Å²	65.8	6%	0.062	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-90.1	-4.5	175.3	0	0	0	0	0	114.6	D196 S197 N213 S214 A218	D196-G216 WeakPolarHBondContact CA-O 3.4Å; D196-G216 WeakPolarHBondContact OD1-CA 3.47Å; S197-G216 PolarHBondContact N-O 2.87Å; N213-G216 PolarHBondContact O-N 3.37Å; S214-G216 VanDerWaalsContact C-N 3.32Å; G216-A218 PolarHBondContact O-N 3.12Å
217	M	96.9	Very high	96.2	Very high	79 Å²	79	60.5 Å²	60.5	39%	0.389	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	123.4	-172.9	-179.9	-166.2	68.1	0	0	111.5	G193 D196 S214 Q220	G193-M217 VanDerWaalsContact O-SD 3.4Å; D196-M217 PolarHBondContact OD1-N 3.3Å; D196-M217 VanDerWaalsContact OD1-N 3.09Å; S214-M217 WeakPolarHBondContact O-CB 3.39Å; S214-M217 PolarHBondContact O-N 3.38Å; M217-Q220 HydrophobicContact CE-CG 4.38Å; M217-Q220 HydrophobicContact SD-CG 3.6Å; M217-Q220 VanDerWaalsContact SD-CG 3.6Å
218	A	97.1	Very high	96	Very high	22 Å²	22	57.5 Å²	57.5	18%	0.182	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-23.9	-179.5	0	0	0	0	0	113.6	I160 L162 I195 G216	I160-A218 HydrophobicContact CG2-CB 4.21Å; L162-A218 HydrophobicContact CD2-CB 3.58Å; I195-A218 PolarHBondContact O-N 3.46Å; G216-A218 PolarHBondContact O-N 3.12Å
219	A	96.2	Very high	95.9	Very high	5 Å²	5	60 Å²	60	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.2	177.8	0	0	0	0	0	112	L152 L162 G194 I195 M330	L152-A219 HydrophobicContact CD1-CB 4.21Å; L152-A219 HydrophobicContact CD2-CB 4.35Å; L162-A219 HydrophobicContact CD1-CB 3.82Å; L162-A219 HydrophobicContact CD2-CB 3.85Å; G194-A219 CarbonylContact C-O 3.59Å; G194-A219 WeakPolarHBondContact CA-O 3.49Å; I195-A219 HydrophobicContact CG2-CB 3.78Å; I195-A219 PolarHBondContact N-O 3.44Å; I195-A219 PolarHBondContact O-N 3.48Å; A219-M330 HydrophobicContact CB-CE 4.14Å
220	Q	94.5	Very high	95.8	Very high	110 Å²	110	56.4 Å²	56.4	51%	0.514	30%	0.301	S	S	.	.			trans	-128.2	156.1	173.2	-61.7	-171.3	-64.8	0	0	110.2	G193 M217 M330	G193-Q220 WeakPolarHBondContact O-CG 3.37Å; G193-Q220 PolarHBondContact O-NE2 3.36Å; M217-Q220 HydrophobicContact CE-CG 4.38Å; M217-Q220 HydrophobicContact SD-CG 3.6Å; M217-Q220 VanDerWaalsContact SD-CG 3.6Å; Q220-M330 WeakPolarHBondContact O-CE 3.47Å; Q220-M330 WeakPolarHBondContact O-CG 3.34Å
221	C	93.4	Very high	95.7	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.068	29%	0.292	C	S	.	.			trans	-125	145.1	178.5	-173	0	0	0	0	109.6	L148 V189 Q190 G223	L148-C221 HydrophobicContact CD2-CB 4.12Å; V189-C221 HydrophobicContact CB-CB 3.94Å; V189-C221 HydrophobicContact CG1-CB 3.56Å; Q190-C221 WeakPolarHBondContact CA-O 3.3Å; Q190-C221 HydrophobicContact CB-CB 4.4Å; C221-G223 PolarHBondContact SG-N 2.94Å; C221-G223 VanDerWaalsContact SG-N 3.42Å; C221-G223 PolarHBondContact SG-O 3.39Å
222	K	94.8	Very high	95.7	Very high	142 Å²	142	50.1 Å²	50.1	62%	0.617	27%	0.273	S	S	*	.			trans	-106.3	5.9	175.5	-60.9	-176.3	-179.5	169.1	0	112.6	Q190 I329 M330	Q190-K222 PolarHBondContact NE2-O 3.02Å; K222-I329 WeakPolarHBondContact CA-O 3.27Å; K222-I329 HydrophobicContact CB-CG2 4.49Å; K222-I329 WeakPolarHBondContact CB-O 3.41Å; K222-I329 PolarHBondContact N-O 3.02Å; K222-M330 VanDerWaalsContact CE-OXT 3.25Å; K222-M330 WeakPolarHBondContact CE-OXT 3.4Å; K222-M330 PolarHBondContact NZ-OXT 3.25Å
223	G	94.8	Very high	95.7	Very high	7 Å²	7	52.6 Å²	52.6	7%	0.072	28%	0.282	C	S	.	.			trans	125	-166.4	-174.7	0	0	0	0	0	111.4	C221 P328 I329	C221-G223 PolarHBondContact SG-N 2.94Å; C221-G223 VanDerWaalsContact SG-N 3.42Å; C221-G223 PolarHBondContact SG-O 3.39Å; G223-P328 CarbonylContact O-C 3.54Å; G223-I329 PolarHBondContact O-N 3.19Å
224	Y	96.7	Very high	95.9	Very high	30 Å²	30	48.7 Å²	48.7	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	169.3	-176.5	61.4	-89.7	0	0	0	111.6	F104 T183 F186 N187 E226 Y327	F104-Y224 HydrophobicContact CB-CD2 4.45Å; F104-Y224 HydrophobicContact CB-CE2 4.14Å; F104-Y224 HydrophobicContact CD2-CE1 4.4Å; F104-Y224 AromaticContact CD2-CE2 3.93Å; F104-Y224 HydrophobicContact CD2-CE2 3.93Å; F104-Y224 AromaticContact CD2-CZ 3.7Å; F104-Y224 HydrophobicContact CG-CE2 4.45Å; T183-Y224 HydrophobicContact CG2-CD2 3.77Å; T183-Y224 HydrophobicContact CG2-CE2 3.6Å; T183-Y224 HydrophobicContact CG2-CG 4.46Å; F186-Y224 HydrophobicContact CB-CD1 3.89Å; F186-Y224 HydrophobicContact CB-CG 4.18Å; F186-Y224 HydrophobicContact CD2-CG 4.26Å; N187-Y224 HydrophobicContact CB-CE1 4.2Å; Y224-E226 HydrophobicContact CD2-CG 4.23Å; Y224-E226 HydrophobicContact CE2-CG 4.1Å; Y224-Y327 CarbonylContact C-O 3.55Å; Y224-Y327 VanDerWaalsContact CA-O 3.27Å; Y224-Y327 WeakPolarHBondContact CA-O 3.41Å; Y224-Y327 WeakPolarHBondContact CB-O 3.46Å
225	K	97.1	Very high	96.1	Very high	69 Å²	69	44.4 Å²	44.4	30%	0.3	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	166.2	-67.5	-64.6	-177.1	-177.5	0	110.3	F104 M106 S326 Y327 I329	F104-K225 VanDerWaalsContact O-CA 3.3Å; F104-K225 WeakPolarHBondContact O-CA 3.46Å; F104-K225 VanDerWaalsContact O-CD 3.22Å; F104-K225 WeakPolarHBondContact O-CD 3.4Å; M106-K225 HydrophobicContact CB-CB 4.37Å; K225-S326 CarbonylContact O-C 3.55Å; K225-S326 VanDerWaalsContact O-CA 3.26Å; K225-S326 WeakPolarHBondContact O-CA 3.39Å; K225-S326 WeakPolarHBondContact O-CB 3.38Å; K225-Y327 HydrophobicContact CB-CD2 4.36Å; K225-Y327 HydrophobicContact CB-CE1 3.97Å; K225-Y327 HydrophobicContact CB-CE2 3.72Å; K225-Y327 VanDerWaalsContact CB-CZ 3.49Å; K225-Y327 HydrophobicContact CG-CE2 4.08Å; K225-Y327 PolarHBondContact N-O 2.94Å; K225-Y327 PolarHBondContact O-N 2.54Å; K225-I329 HydrophobicContact CD-CD1 4.28Å; K225-I329 HydrophobicContact CG-CD1 3.67Å; K225-I329 HydrophobicContact CG-CG1 4.28Å
226	E	96.9	Very high	96.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.9	173.2	-64	-176.3	82	0	0	110.8	H100 R102 F104 T105 M106 T183 Y224	H100-E226 IonicContact CE1-OE1 2.88Å; H100-E226 PolarHBondContact CE1-OE1 2.9Å; H100-E226 IonicContact CE1-OE2 2.84Å; H100-E226 PolarHBondContact CE1-OE2 3.33Å; H100-E226 IonicContact NE2-OE1 2.9Å; R102-E226 WeakPolarHBondContact CA-OE2 3.47Å; F104-E226 PolarHBondContact O-N 2.69Å; T105-E226 CarbonylContact C-O 3.56Å; T105-E226 WeakPolarHBondContact CA-O 3.37Å; M106-E226 WeakPolarHBondContact CB-O 3.33Å; M106-E226 PolarHBondContact N-O 3Å; T183-E226 HydrophobicContact CG2-CG 4.26Å; Y224-E226 HydrophobicContact CD2-CG 4.23Å; Y224-E226 HydrophobicContact CE2-CG 4.1Å
227	V	96.3	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-75.9	140.1	171	179.9	0	0	0	0	108.5	K229 A234 L235 A238 V245 A325 Y327	V227-K229 PolarHBondContact O-N 3.1Å; V227-A234 HydrophobicContact CG1-CB 3.66Å; V227-L235 HydrophobicContact CG1-CB 4.18Å; V227-A238 HydrophobicContact CG2-CB 3.9Å; V227-V245 HydrophobicContact CG2-CG1 4.47Å; V227-A325 HydrophobicContact CB-CB 3.8Å; V227-A325 HydrophobicContact CG1-CB 4.47Å; V227-A325 HydrophobicContact CG2-CB 3.96Å; V227-A325 PolarHBondContact N-O 3.43Å; V227-Y327 HydrophobicContact CG2-CD1 4.49Å; V227-Y327 HydrophobicContact CG2-CE1 4.46Å
228	P	94.9	Very high	96.3	Very high	33 Å²	33	35.5 Å²	35.5	21%	0.214	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-49.7	133.1	175	-28.3	34.2	0	0	0	112.9	T105 G230 D231 A234	T105-P228 HydrophobicContact CG2-CG 3.96Å; P228-G230 PolarHBondContact O-N 3.33Å; P228-D231 HydrophobicContact CB-CB 4.09Å; P228-D231 PolarHBondContact O-N 3.28Å; P228-D231 VanDerWaalsContact O-N 3.12Å; P228-A234 HydrophobicContact CG-CB 4.21Å
229	K	95.1	Very high	96.3	Very high	117 Å²	117	34.5 Å²	34.5	51%	0.509	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	123.5	-174	-168	-179.8	173.1	-177	0	110.7	R102 V227 D231 E272 N323	R102-K229 VanDerWaalsContact NH1-CA 3.34Å; R102-K229 VanDerWaalsContact NH1-CB 3.26Å; V227-K229 PolarHBondContact O-N 3.1Å; K229-D231 PolarHBondContact O-N 3.35Å; K229-E272 IonicContact NZ-OE2 3.89Å; K229-E272 PolarHBondContact NZ-OE2 2.95Å; K229-E272 VanDerWaalsContact NZ-OE2 3.17Å; K229-N323 HydrophobicContact CG-CB 4.21Å
230	G	96.3	Very high	96.3	Very high	27 Å²	27	38 Å²	38	28%	0.278	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	2.3	172.4	0	0	0	0	0	114.8	P228 E232 A322 N323	P228-G230 PolarHBondContact O-N 3.33Å; G230-E232 PolarHBondContact O-N 2.86Å; G230-A322 PolarHBondContact N-O 2.98Å; G230-N323 WeakPolarHBondContact CA-OD1 3.35Å; G230-N323 PolarHBondContact N-OD1 2.8Å
231	D	96.9	Very high	96.3	Very high	52 Å²	52	37.2 Å²	37.2	28%	0.278	18%	0.176	S	C	.	.			trans	-86.1	91.3	-179.7	-170	-19.2	0	0	0	111.2	P228 K229 R233 A234 L235	P228-D231 HydrophobicContact CB-CB 4.09Å; P228-D231 PolarHBondContact O-N 3.28Å; P228-D231 VanDerWaalsContact O-N 3.12Å; K229-D231 PolarHBondContact O-N 3.35Å; D231-R233 PolarHBondContact O-N 2.58Å; D231-R233 WeakPolarHBondContact OD1-CA 3.4Å; D231-R233 WeakPolarHBondContact OD1-CB 3.45Å; D231-R233 PolarHBondContact OD1-N 3.38Å; D231-A234 HydrophobicContact CB-CB 3.8Å; D231-A234 VanDerWaalsContact CG-CB 3.48Å; D231-A234 PolarHBondContact O-N 3.09Å; D231-A234 PolarHBondContact OD1-N 2.9Å; D231-L235 PolarHBondContact O-N 2.94Å
232	E	98	Very high	96.5	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-26.2	175	-68.7	-164.1	77.6	0	0	113.1	G230 A236 W293 N314 R315 N317 A322	G230-E232 PolarHBondContact O-N 2.86Å; E232-A236 PolarHBondContact O-N 3.4Å; E232-A236 VanDerWaalsContact O-N 3.13Å; E232-W293 HydrophobicContact CB-CZ2 3.99Å; E232-W293 HydrophobicContact CG-CZ2 4.31Å; E232-W293 VanDerWaalsContact O-CH2 3.28Å; E232-W293 WeakPolarHBondContact O-CH2 3.43Å; E232-W293 PolarHBondContact OE1-NE1 3.34Å; E232-N314 VanDerWaalsContact CD-N 3.32Å; E232-N314 PolarHBondContact OE1-N 2.94Å; E232-N314 WeakPolarHBondContact OE2-CA 3.36Å; E232-N314 PolarHBondContact OE2-N 2.68Å; E232-R315 PolarHBondContact OE2-N 3.12Å; E232-N317 HydrophobicContact CG-CB 4.44Å; E232-N317 PolarHBondContact OE2-N 3.49Å; E232-A322 HydrophobicContact CG-CB 4.17Å
233	R	96	Very high	96.6	Very high	99 Å²	99	30.9 Å²	30.9	37%	0.374	15%	0.149	S	C	.	.	H	α-helix	trans	-75.9	-43.3	176.1	176.9	156.8	177.6	72.2	0.3	110.5	V112 D231 L235 A236 V237	V112-R233 PolarHBondContact O-NH2 2.87Å; D231-R233 PolarHBondContact O-N 2.58Å; D231-R233 WeakPolarHBondContact OD1-CA 3.4Å; D231-R233 WeakPolarHBondContact OD1-CB 3.45Å; D231-R233 PolarHBondContact OD1-N 3.38Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.39Å; R233-A236 PolarHBondContact O-N 3.48Å; R233-V237 WeakPolarHBondContact O-CG2 3.32Å; R233-V237 PolarHBondContact O-N 2.65Å
234	A	96.8	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-39.3	174.4	0	0	0	0	0	111.5	M106 V227 P228 D231 A236 V237 A238	M106-A234 HydrophobicContact CE-CB 4.31Å; V227-A234 HydrophobicContact CG1-CB 3.66Å; P228-A234 HydrophobicContact CG-CB 4.21Å; D231-A234 HydrophobicContact CB-CB 3.8Å; D231-A234 VanDerWaalsContact CG-CB 3.48Å; D231-A234 PolarHBondContact O-N 3.09Å; D231-A234 PolarHBondContact OD1-N 2.9Å; A234-A236 VanDerWaalsContact C-N 3.34Å; A234-A236 PolarHBondContact O-N 3.23Å; A234-V237 WeakPolarHBondContact O-CB 3.45Å; A234-V237 PolarHBondContact O-N 2.65Å; A234-V237 VanDerWaalsContact O-N 3.17Å; A234-A238 PolarHBondContact O-N 3.17Å
235	L	98.1	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-43.3	172.6	177.7	55.7	0	0	0	111.8	V227 D231 R233 V237 A238 L239 V245 V247 W293 I321 A322 A325	V227-L235 HydrophobicContact CG1-CB 4.18Å; D231-L235 PolarHBondContact O-N 2.94Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.39Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 2.99Å; L235-A238 PolarHBondContact O-N 2.87Å; L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.41Å; L235-L239 HydrophobicContact CG-CD1 4.18Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 3.31Å; L235-V245 HydrophobicContact CD1-CB 4.09Å; L235-V245 HydrophobicContact CD1-CG1 3.78Å; L235-V245 HydrophobicContact CD1-CG2 4.42Å; L235-V247 HydrophobicContact CD1-CG1 4.07Å; L235-V247 HydrophobicContact CD2-CG1 4.24Å; L235-W293 HydrophobicContact CB-CH2 4.02Å; L235-W293 HydrophobicContact CB-CZ2 4.4Å; L235-W293 HydrophobicContact CD2-CD2 4.49Å; L235-W293 HydrophobicContact CD2-CH2 3.95Å; L235-W293 HydrophobicContact CD2-CZ2 3.84Å; L235-W293 HydrophobicContact CD2-CZ3 4.35Å; L235-W293 HydrophobicContact CG-CH2 3.79Å; L235-W293 HydrophobicContact CG-CZ2 4.19Å; L235-W293 HydrophobicContact CG-CZ3 4.11Å; L235-I321 HydrophobicContact CD2-CG1 4.44Å; L235-A322 HydrophobicContact CB-CB 4.49Å; L235-A322 HydrophobicContact CD2-CB 4.18Å; L235-A325 HydrophobicContact CD1-CB 3.99Å
236	A	97.8	Very high	97	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-35	176.3	0	0	0	0	0	112.4	L115 E232 R233 A234 F240 Y283 W293	L115-A236 HydrophobicContact CD1-CB 3.55Å; E232-A236 PolarHBondContact O-N 3.4Å; E232-A236 VanDerWaalsContact O-N 3.13Å; R233-A236 PolarHBondContact O-N 3.48Å; A234-A236 VanDerWaalsContact C-N 3.34Å; A234-A236 PolarHBondContact O-N 3.23Å; A236-F240 WeakPolarHBondContact O-CB 3.46Å; A236-F240 PolarHBondContact O-N 3.03Å; A236-Y283 HydrophobicContact CB-CD1 4.33Å; A236-Y283 HydrophobicContact CB-CE1 4.09Å; A236-Y283 WeakPolarHBondContact O-CE1 3.33Å; A236-W293 HydrophobicContact CB-CH2 3.81Å; A236-W293 HydrophobicContact CB-CZ3 4.1Å
237	V	97.2	Very high	97.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-46	173.8	171.5	0	0	0	0	110.8	M106 V112 L115 R233 A234 L235 L239 F240 K241	M106-V237 HydrophobicContact CE-CG1 4.27Å; V112-V237 HydrophobicContact CB-CG2 4.31Å; V112-V237 HydrophobicContact CG1-CG2 4.09Å; V112-V237 HydrophobicContact CG2-CG1 4.14Å; L115-V237 HydrophobicContact CD1-CG2 4.27Å; L115-V237 HydrophobicContact CD2-CG2 4.12Å; R233-V237 WeakPolarHBondContact O-CG2 3.32Å; R233-V237 PolarHBondContact O-N 2.65Å; A234-V237 WeakPolarHBondContact O-CB 3.45Å; A234-V237 PolarHBondContact O-N 2.65Å; A234-V237 VanDerWaalsContact O-N 3.17Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 2.99Å; V237-L239 PolarHBondContact O-N 3.42Å; V237-F240 PolarHBondContact O-N 2.99Å; V237-F240 VanDerWaalsContact O-N 3.17Å; V237-K241 HydrophobicContact CG1-CG 4.21Å; V237-K241 WeakPolarHBondContact O-CB 3.43Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 3.23Å
238	A	97.3	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-49.5	175.6	0	0	0	0	0	110.6	M106 V227 A234 L235 F240 K241 V242 V245 Y327	M106-A238 HydrophobicContact SD-CB 4.05Å; V227-A238 HydrophobicContact CG2-CB 3.9Å; A234-A238 PolarHBondContact O-N 3.17Å; L235-A238 PolarHBondContact O-N 2.87Å; A238-F240 VanDerWaalsContact C-N 3.31Å; A238-F240 PolarHBondContact O-N 2.84Å; A238-K241 PolarHBondContact O-N 3.22Å; A238-V242 WeakPolarHBondContact O-CA 3.38Å; A238-V242 WeakPolarHBondContact O-CB 3.4Å; A238-V242 PolarHBondContact O-N 3.16Å; A238-V245 HydrophobicContact CB-CG2 4.06Å; A238-Y327 HydrophobicContact CB-CD1 4.23Å; A238-Y327 HydrophobicContact CB-CE1 3.97Å
239	L	97.9	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.7	-44	174.8	-77.6	161.8	0	0	0	112.1	Y121 L235 V237 G243 V245 A280 Y283 W293	Y121-L239 WeakPolarHBondContact CE2-O 3.31Å; Y121-L239 PolarHBondContact OH-O 2.83Å; L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.41Å; L235-L239 HydrophobicContact CG-CD1 4.18Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 3.31Å; V237-L239 PolarHBondContact O-N 3.42Å; L239-G243 WeakPolarHBondContact CA-O 3.23Å; L239-G243 PolarHBondContact O-N 3.04Å; L239-V245 HydrophobicContact CD2-CB 4.3Å; L239-V245 HydrophobicContact CD2-CG2 3.97Å; L239-V245 HydrophobicContact CG-CG2 3.99Å; L239-A280 HydrophobicContact CD1-CB 4.16Å; L239-A280 HydrophobicContact CD2-CB 4.08Å; L239-A280 VanDerWaalsContact CD2-O 3.23Å; L239-A280 WeakPolarHBondContact CD2-O 3.28Å; L239-Y283 HydrophobicContact CB-CD1 4.15Å; L239-Y283 HydrophobicContact CB-CE1 4.16Å; L239-Y283 HydrophobicContact CD1-CD1 4.09Å; L239-W293 HydrophobicContact CD1-CE3 3.74Å; L239-W293 HydrophobicContact CD1-CH2 4.48Å; L239-W293 HydrophobicContact CD1-CZ3 3.46Å; L239-W293 VanDerWaalsContact CD1-CZ3 3.46Å
240	F	96.6	Very high	97.5	Very high	79 Å²	79	18.7 Å²	18.7	35%	0.346	9%	0.091	S	C	.	.	H	α-helix	trans	-68.8	-43.4	-178.8	172.5	-121.6	0	0	0	113.6	L115 P116 V119 A236 V237 A238	L115-F240 HydrophobicContact CD2-CB 3.74Å; L115-F240 HydrophobicContact CD2-CD1 3.67Å; L115-F240 HydrophobicContact CD2-CG 3.89Å; P116-F240 HydrophobicContact CG-CD2 3.47Å; P116-F240 VanDerWaalsContact CG-CD2 3.47Å; P116-F240 HydrophobicContact CG-CE2 3.62Å; P116-F240 HydrophobicContact CG-CG 4.25Å; P116-F240 HydrophobicContact CG-CZ 4.48Å; V119-F240 HydrophobicContact CG2-CD2 4.32Å; A236-F240 WeakPolarHBondContact O-CB 3.46Å; A236-F240 PolarHBondContact O-N 3.03Å; V237-F240 PolarHBondContact O-N 2.99Å; V237-F240 VanDerWaalsContact O-N 3.17Å; A238-F240 VanDerWaalsContact C-N 3.31Å; A238-F240 PolarHBondContact O-N 2.84Å
241	K	94.5	Very high	97.6	Very high	93 Å²	93	17.6 Å²	17.6	40%	0.404	8%	0.08	S	C	.	.	H	α-helix	trans	-86.9	-34.7	-173.3	-69.7	-74.5	-167.8	156.4	0	112.6	D109 K154 V237 A238	D109-K241 IonicContact OD2-NZ 3.44Å; D109-K241 PolarHBondContact OD2-NZ 3.01Å; K154-K241 PolarHBondContact NZ-O 2.78Å; V237-K241 HydrophobicContact CG1-CG 4.21Å; V237-K241 WeakPolarHBondContact O-CB 3.43Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 3.23Å; A238-K241 PolarHBondContact O-N 3.22Å
242	V	95.8	Very high	97.6	Very high	20 Å²	20	16.9 Å²	16.9	12%	0.121	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-50.5	-165.9	-175.8	0	0	0	0	111.7	Q151 K154 A238 Y327	Q151-V242 PolarHBondContact NE2-O 3.04Å; K154-V242 WeakPolarHBondContact CD-O 3.33Å; K154-V242 WeakPolarHBondContact CE-O 3.37Å; K154-V242 PolarHBondContact NZ-O 2.94Å; A238-V242 WeakPolarHBondContact O-CA 3.38Å; A238-V242 WeakPolarHBondContact O-CB 3.4Å; A238-V242 PolarHBondContact O-N 3.16Å; V242-Y327 HydrophobicContact CB-CD2 4.45Å; V242-Y327 HydrophobicContact CB-CE2 4.38Å; V242-Y327 HydrophobicContact CG1-CD2 3.54Å; V242-Y327 HydrophobicContact CG1-CE2 3.76Å; V242-Y327 HydrophobicContact CG1-CG 3.96Å; V242-Y327 HydrophobicContact CG2-CD2 4.45Å; V242-Y327 HydrophobicContact CG2-CE1 4.24Å; V242-Y327 HydrophobicContact CG2-CE2 3.9Å
243	G	97.7	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.			trans	134.4	-163.3	-171.3	0	0	0	0	0	111.3	L239 V245	L239-G243 WeakPolarHBondContact CA-O 3.23Å; L239-G243 PolarHBondContact O-N 3.04Å; G243-V245 WeakPolarHBondContact O-CG2 3.36Å
244	P	98.7	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.			trans	-51.5	143.8	169.4	-26.1	35.4	0	0	0	112.9	Y121 V127 L279 A280 V281	Y121-P244 HydrophobicContact CD2-CG 4.2Å; Y121-P244 HydrophobicContact CG-CG 4.18Å; V127-P244 HydrophobicContact CG2-CG 4.35Å; P244-L279 HydrophobicContact CB-CD1 3.95Å; P244-L279 HydrophobicContact CB-CD2 4Å; P244-L279 HydrophobicContact CB-CG 4.05Å; P244-A280 CarbonylContact C-O 3.46Å; P244-A280 VanDerWaalsContact CA-O 3.27Å; P244-A280 WeakPolarHBondContact CA-O 3.01Å; P244-V281 HydrophobicContact CB-CG1 4.37Å
245	V	98.9	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.7	-174.5	-179.6	0	0	0	0	108.9	V227 L235 A238 L239 G243 V247 A280 A325 S326 Y327	V227-V245 HydrophobicContact CG2-CG1 4.47Å; L235-V245 HydrophobicContact CD1-CB 4.09Å; L235-V245 HydrophobicContact CD1-CG1 3.78Å; L235-V245 HydrophobicContact CD1-CG2 4.42Å; A238-V245 HydrophobicContact CB-CG2 4.06Å; L239-V245 HydrophobicContact CD2-CB 4.3Å; L239-V245 HydrophobicContact CD2-CG2 3.97Å; L239-V245 HydrophobicContact CG-CG2 3.99Å; G243-V245 WeakPolarHBondContact O-CG2 3.36Å; V245-V247 HydrophobicContact CG1-CG1 4.3Å; V245-A280 PolarHBondContact N-O 3.17Å; V245-A280 PolarHBondContact O-N 2.91Å; V245-A325 HydrophobicContact CG1-CB 4.25Å; V245-S326 VanDerWaalsContact CG1-O 3.32Å; V245-S326 WeakPolarHBondContact CG1-O 3.07Å; V245-Y327 HydrophobicContact CG2-CD1 4.45Å
246	S	98.9	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.2	171.7	-64	0	0	0	0	109.5	S143 A147 F186 A325 S326	S143-S246 PolarHBondContact O-OG 2.88Å; S143-S246 WeakPolarHBondContact OG-CA 3.33Å; S143-S246 WeakPolarHBondContact OG-CB 3.43Å; S143-S246 PolarHBondContact OG-OG 2.9Å; A147-S246 VanDerWaalsContact CB-OG 3.31Å; A147-S246 WeakPolarHBondContact CB-OG 3.48Å; F186-S246 WeakPolarHBondContact CZ-OG 3.34Å; S246-A325 CarbonylContact O-C 3.28Å; S246-A325 VanDerWaalsContact O-CA 3.25Å; S246-A325 WeakPolarHBondContact O-CA 3.24Å; S246-S326 WeakPolarHBondContact CB-O 3.44Å; S246-S326 PolarHBondContact N-O 2.96Å; S246-S326 PolarHBondContact O-N 3.28Å
247	V	98.9	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.6	179.9	-58.6	0	0	0	0	110.5	L235 V245 V278 A280 I321 A325	L235-V247 HydrophobicContact CD1-CG1 4.07Å; L235-V247 HydrophobicContact CD2-CG1 4.24Å; V245-V247 HydrophobicContact CG1-CG1 4.3Å; V247-V278 HydrophobicContact CG2-CG2 3.51Å; V247-V278 PolarHBondContact N-O 2.81Å; V247-V278 PolarHBondContact O-N 2.97Å; V247-V278 VanDerWaalsContact O-O 3.09Å; V247-A280 HydrophobicContact CG1-CB 3.95Å; V247-A280 HydrophobicContact CG2-CB 4.28Å; V247-I321 HydrophobicContact CB-CG1 4.24Å; V247-I321 WeakPolarHBondContact CB-O 3.1Å; V247-I321 HydrophobicContact CG2-CD1 4.41Å; V247-I321 HydrophobicContact CG2-CG1 3.94Å; V247-A325 HydrophobicContact CG1-CB 3.86Å
248	G	98.6	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143	169	0	0	0	0	0	111.2	H276 I321	G248-H276 CarbonylContact C-O 3.38Å; G248-H276 WeakPolarHBondContact CA-O 3.02Å; G248-I321 WeakPolarHBondContact O-CA 3.05Å
249	I	98.8	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.6	173.9	61.2	170.7	0	0	0	111.4	F256 N275 H276 V278 M311 C319 I321	I249-F256 HydrophobicContact CD1-CE1 4.28Å; I249-F256 HydrophobicContact CD1-CE2 3.69Å; I249-F256 HydrophobicContact CD1-CZ 3.47Å; I249-F256 VanDerWaalsContact CD1-CZ 3.47Å; I249-N275 PolarHBondContact O-N 2.93Å; I249-H276 HydrophobicContact CG1-CB 4.19Å; I249-H276 PolarHBondContact N-O 3.36Å; I249-H276 PolarHBondContact O-N 2.75Å; I249-V278 HydrophobicContact CD1-CG1 4.08Å; I249-V278 HydrophobicContact CD1-CG2 3.96Å; I249-V278 HydrophobicContact CG1-CG1 4.37Å; I249-V278 HydrophobicContact CG1-CG2 4.02Å; I249-V278 HydrophobicContact CG2-CG2 4.16Å; I249-M311 HydrophobicContact CB-CE 4.33Å; I249-M311 HydrophobicContact CD1-CE 4.14Å; I249-M311 HydrophobicContact CD1-SD 3.99Å; I249-M311 HydrophobicContact CG2-CE 3.98Å; I249-M311 HydrophobicContact CG2-SD 4.04Å; I249-C319 CarbonylContact C-O 3.58Å; I249-C319 VanDerWaalsContact CA-O 3.29Å; I249-C319 WeakPolarHBondContact CA-O 3.4Å; I249-C319 HydrophobicContact CB-CB 4.35Å; I249-I321 HydrophobicContact CG2-CB 3.94Å; I249-I321 HydrophobicContact CG2-CD1 4.28Å; I249-I321 HydrophobicContact CG2-CG1 3.97Å
250	D	98.5	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.			trans	-74.2	118.5	158.4	174.7	16	0	0	0	109.8	T252 C269 N270 D273 C319	D250-T252 VanDerWaalsContact OD1-CB 3.31Å; D250-T252 WeakPolarHBondContact OD1-CB 3.49Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.43Å; D250-T252 PolarHBondContact OD1-N 3.41Å; D250-T252 PolarHBondContact OD1-OG1 3.28Å; D250-T252 PolarHBondContact OD2-OG1 3.32Å; D250-C269 WeakPolarHBondContact OD2-CA 3.13Å; D250-N270 WeakPolarHBondContact CB-O 3.37Å; D250-N270 PolarHBondContact OD2-N 2.86Å; D250-D273 WeakPolarHBondContact CB-O 3.41Å; D250-C319 HydrophobicContact CB-CB 4.16Å; D250-C319 PolarHBondContact N-O 3.44Å
251	A	97.9	Very high	98.2	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.041	9%	0.094	C	C	.	.			trans	-114.5	15.8	175.8	0	0	0	0	0	113.3	T92 Q253 F256 N275 H276 W299	T92-A251 HydrophobicContact CG2-CB 4.45Å; A251-Q253 VanDerWaalsContact C-N 3.28Å; A251-Q253 PolarHBondContact O-N 3.18Å; A251-F256 HydrophobicContact CB-CD1 3.66Å; A251-F256 HydrophobicContact CB-CE1 3.72Å; A251-F256 HydrophobicContact CB-CG 4.42Å; A251-N275 PolarHBondContact N-OD1 3.12Å; A251-H276 HydrophobicContact CB-CB 3.55Å; A251-W299 HydrophobicContact CB-CH2 4.21Å
252	T	96.9	Very high	98.4	Very high	37 Å²	37	16.5 Å²	16.5	23%	0.227	9%	0.089	C	C	.	.			trans	-68.5	-22.5	-178.3	53.2	0	0	0	0	114.2	S84 D250 N275	S84-T252 WeakPolarHBondContact CB-O 2.86Å; D250-T252 VanDerWaalsContact OD1-CB 3.31Å; D250-T252 WeakPolarHBondContact OD1-CB 3.49Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.43Å; D250-T252 PolarHBondContact OD1-N 3.41Å; D250-T252 PolarHBondContact OD1-OG1 3.28Å; D250-T252 PolarHBondContact OD2-OG1 3.32Å; T252-N275 WeakPolarHBondContact CG2-ND2 3.39Å
253	Q	98.1	Very high	98.5	Very high	37 Å²	37	16.1 Å²	16.1	17%	0.173	9%	0.086	C	C	.	.	S	Bend	trans	-72.4	134.3	-170.1	-56.5	-55.7	-57.3	0	0	111.3	A251 S255 F256 Q257	A251-Q253 VanDerWaalsContact C-N 3.28Å; A251-Q253 PolarHBondContact O-N 3.18Å; Q253-S255 WeakPolarHBondContact CB-OG 3.33Å; Q253-S255 PolarHBondContact O-N 3.19Å; Q253-S255 VanDerWaalsContact O-N 3.13Å; Q253-F256 HydrophobicContact CB-CB 4.49Å; Q253-F256 WeakPolarHBondContact O-CA 3.23Å; Q253-F256 WeakPolarHBondContact O-CB 3.48Å; Q253-F256 PolarHBondContact O-N 3.5Å; Q253-Q257 PolarHBondContact O-N 3.12Å; Q253-Q257 VanDerWaalsContact O-N 3.14Å
254	P	98.1	Very high	98.6	Very high	43 Å²	43	16.1 Å²	16.1	28%	0.279	9%	0.086	S	C	.	.	H	α-helix	trans	-55.5	-30.6	171.5	-26.3	33.7	0	0	0	112.9	M57 F256 Q257 F258	M57-P254 HydrophobicContact CE-CB 3.89Å; P254-F256 VanDerWaalsContact C-N 3.25Å; P254-F256 PolarHBondContact O-N 3Å; P254-Q257 WeakPolarHBondContact O-CB 3.38Å; P254-Q257 PolarHBondContact O-N 3.4Å; P254-F258 WeakPolarHBondContact O-CD2 3.47Å; P254-F258 PolarHBondContact O-N 3.3Å; P254-F258 VanDerWaalsContact O-N 3.13Å
255	S	98.6	Very high	98.5	Very high	8 Å²	8	19.1 Å²	19.1	6%	0.056	10%	0.1	C	C	.	.	H	α-helix	trans	-64.1	-28.6	174.4	66.2	0	0	0	0	113.1	Y72 L74 Q253 Y259 Y264 D266	Y72-S255 WeakPolarHBondContact OH-CB 3.37Å; L74-S255 WeakPolarHBondContact CD2-O 3.35Å; Q253-S255 WeakPolarHBondContact CB-OG 3.33Å; Q253-S255 PolarHBondContact O-N 3.19Å; Q253-S255 VanDerWaalsContact O-N 3.13Å; S255-Y259 PolarHBondContact O-N 2.92Å; S255-Y264 WeakPolarHBondContact OG-CE2 3.5Å; S255-Y264 PolarHBondContact OG-OH 2.91Å; S255-D266 WeakPolarHBondContact CB-OD2 3.5Å; S255-D266 PolarHBondContact OG-OD2 3.05Å
256	F	98.8	Very high	98.5	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-78.9	-44.4	172.8	-170.5	-93.7	0	0	0	110.9	I249 A251 Q253 P254 F258 Y259 Y264 W299 W303 V309 M311	I249-F256 HydrophobicContact CD1-CE1 4.28Å; I249-F256 HydrophobicContact CD1-CE2 3.69Å; I249-F256 HydrophobicContact CD1-CZ 3.47Å; I249-F256 VanDerWaalsContact CD1-CZ 3.47Å; A251-F256 HydrophobicContact CB-CD1 3.66Å; A251-F256 HydrophobicContact CB-CE1 3.72Å; A251-F256 HydrophobicContact CB-CG 4.42Å; Q253-F256 HydrophobicContact CB-CB 4.49Å; Q253-F256 WeakPolarHBondContact O-CA 3.23Å; Q253-F256 WeakPolarHBondContact O-CB 3.48Å; Q253-F256 PolarHBondContact O-N 3.5Å; P254-F256 VanDerWaalsContact C-N 3.25Å; P254-F256 PolarHBondContact O-N 3Å; F256-F258 PolarHBondContact O-N 3.45Å; F256-F258 VanDerWaalsContact O-N 3.15Å; F256-Y259 WeakPolarHBondContact O-CB 3.43Å; F256-Y259 PolarHBondContact O-N 2.86Å; F256-Y259 VanDerWaalsContact O-N 3.12Å; F256-Y264 HydrophobicContact CB-CE2 4.3Å; F256-Y264 HydrophobicContact CD2-CD1 4.29Å; F256-Y264 AromaticContact CD2-CE1 3.94Å; F256-Y264 HydrophobicContact CD2-CE1 3.94Å; F256-W299 AromaticContact CD1-CH2 3.79Å; F256-W299 HydrophobicContact CD1-CH2 3.79Å; F256-W299 AromaticContact CD1-CZ3 3.78Å; F256-W299 HydrophobicContact CD1-CZ3 3.78Å; F256-W299 AromaticContact CE1-CH2 3.68Å; F256-W299 HydrophobicContact CE1-CH2 3.68Å; F256-W299 AromaticContact CE1-CZ3 3.67Å; F256-W299 HydrophobicContact CE1-CZ3 3.67Å; F256-W303 AromaticContact CD1-CZ2 3.95Å; F256-W303 HydrophobicContact CD1-CZ2 3.95Å; F256-W303 HydrophobicContact CD2-CZ2 4.5Å; F256-W303 AromaticContact CE1-CH2 3.95Å; F256-W303 HydrophobicContact CE1-CH2 3.95Å; F256-W303 AromaticContact CE1-CZ2 3.56Å; F256-W303 HydrophobicContact CE1-CZ2 3.56Å; F256-W303 HydrophobicContact CE2-CH2 4.1Å; F256-W303 HydrophobicContact CE2-CZ2 4.17Å; F256-W303 HydrophobicContact CG-CZ2 4.4Å; F256-W303 AromaticContact CZ-CH2 3.61Å; F256-W303 HydrophobicContact CZ-CH2 3.61Å; F256-W303 AromaticContact CZ-CZ2 3.68Å; F256-W303 HydrophobicContact CZ-CZ2 3.68Å; F256-W303 VanDerWaalsContact O-CZ2 3.32Å; F256-W303 WeakPolarHBondContact O-CZ2 3.31Å; F256-W303 PolarHBondContact O-NE1 3.37Å; F256-V309 HydrophobicContact CE2-CG1 4.08Å; F256-V309 HydrophobicContact CE2-CG2 4.44Å; F256-V309 HydrophobicContact CZ-CG1 4.36Å; F256-M311 HydrophobicContact CE2-SD 4.5Å
257	Q	98.8	Very high	98.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-50.3	-40.2	176.1	179.7	-178.2	-4.2	0	0	112	N77 L79 M82 V87 Q253 P254 W303	N77-Q257 PolarHBondContact ND2-O 3.33Å; L79-Q257 HydrophobicContact CB-CG 4.04Å; L79-Q257 HydrophobicContact CD1-CG 4.05Å; L79-Q257 PolarHBondContact O-NE2 3.04Å; M82-Q257 PolarHBondContact O-NE2 3.46Å; V87-Q257 HydrophobicContact CG2-CG 4.14Å; Q253-Q257 PolarHBondContact O-N 3.12Å; Q253-Q257 VanDerWaalsContact O-N 3.14Å; P254-Q257 WeakPolarHBondContact O-CB 3.38Å; P254-Q257 PolarHBondContact O-N 3.4Å; Q257-W303 PolarHBondContact O-NE1 3.49Å
258	F	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	12.8	-177.7	-62.6	-68.3	0	0	0	114.8	N54 M57 I58 L74 E75 M76 P254 F256 H260	N54-F258 HydrophobicContact CB-CE2 3.76Å; N54-F258 HydrophobicContact CB-CZ 3.71Å; N54-F258 VanDerWaalsContact CG-CE2 3.48Å; N54-F258 WeakPolarHBondContact ND2-CZ 3.21Å; M57-F258 HydrophobicContact CE-CD2 3.55Å; M57-F258 HydrophobicContact CE-CE2 4.19Å; M57-F258 HydrophobicContact CE-CG 4.41Å; I58-F258 HydrophobicContact CD1-CB 4.07Å; I58-F258 HydrophobicContact CD1-CD1 3.82Å; I58-F258 HydrophobicContact CD1-CD2 4.3Å; I58-F258 HydrophobicContact CD1-CE1 4.36Å; I58-F258 HydrophobicContact CD1-CG 3.78Å; I58-F258 HydrophobicContact CG1-CB 4.05Å; I58-F258 HydrophobicContact CG1-CD2 4.45Å; I58-F258 HydrophobicContact CG1-CG 4.12Å; L74-F258 CarbonylContact C-O 3.5Å; L74-F258 WeakPolarHBondContact CA-O 3.32Å; L74-F258 HydrophobicContact CB-CB 4.13Å; L74-F258 WeakPolarHBondContact CB-O 3.39Å; L74-F258 HydrophobicContact CD1-CB 4.49Å; L74-F258 HydrophobicContact CD2-CB 4.32Å; L74-F258 WeakPolarHBondContact CD2-O 3.23Å; E75-F258 PolarHBondContact N-O 3.37Å; M76-F258 HydrophobicContact SD-CE1 3.97Å; P254-F258 WeakPolarHBondContact O-CD2 3.47Å; P254-F258 PolarHBondContact O-N 3.3Å; P254-F258 VanDerWaalsContact O-N 3.13Å; F256-F258 PolarHBondContact O-N 3.45Å; F256-F258 VanDerWaalsContact O-N 3.15Å; F258-H260 PolarHBondContact O-N 3.42Å
259	Y	98.9	Very high	98.1	Very high	2 Å²	2	31 Å²	31	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	134	176.3	169.6	-92	0	0	0	110.2	Y72 S255 F256 G262 Y264 W303 G304 Y308 V309 L310	Y72-Y259 HydrophobicContact CD2-CD2 4.08Å; S255-Y259 PolarHBondContact O-N 2.92Å; F256-Y259 WeakPolarHBondContact O-CB 3.43Å; F256-Y259 PolarHBondContact O-N 2.86Å; F256-Y259 VanDerWaalsContact O-N 3.12Å; Y259-G262 WeakPolarHBondContact CE2-O 3.44Å; Y259-G262 PolarHBondContact OH-O 2.76Å; Y259-Y264 HydrophobicContact CD2-CD2 4.03Å; Y259-Y264 HydrophobicContact CD2-CG 4.39Å; Y259-W303 HydrophobicContact CD1-CH2 4.34Å; Y259-G304 WeakPolarHBondContact O-CA 3.25Å; Y259-G304 PolarHBondContact O-N 3.47Å; Y259-Y308 WeakPolarHBondContact CE1-O 3.24Å; Y259-V309 HydrophobicContact CD1-CB 3.81Å; Y259-V309 HydrophobicContact CD1-CG2 3.72Å; Y259-V309 HydrophobicContact CD2-CG2 3.94Å; Y259-V309 HydrophobicContact CE1-CB 3.69Å; Y259-V309 HydrophobicContact CE1-CG2 3.67Å; Y259-V309 HydrophobicContact CE2-CG2 3.84Å; Y259-V309 HydrophobicContact CG-CB 4.42Å; Y259-V309 HydrophobicContact CG-CG2 3.87Å; Y259-L310 PolarHBondContact OH-N 3.34Å
260	H	98.8	Very high	98	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.181	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-57.1	176	175.7	67.7	0	0	0	111.8	E73 E75 F258 G304 N305	E73-H260 WeakPolarHBondContact O-CB 3.41Å; E73-H260 PolarHBondContact O-N 3.47Å; E75-H260 HydrophobicContact CB-CB 3.54Å; E75-H260 IonicContact OE1-CE1 3.7Å; E75-H260 IonicContact OE2-CE1 2.86Å; E75-H260 PolarHBondContact OE2-CE1 2.94Å; E75-H260 IonicContact OE2-CG 2.69Å; E75-H260 IonicContact OE2-ND1 2.71Å; E75-H260 PolarHBondContact OE2-ND1 2.99Å; E75-H260 IonicContact OE2-NE2 3.17Å; F258-H260 PolarHBondContact O-N 3.42Å; H260-G304 CarbonylContact O-C 3.49Å; H260-G304 VanDerWaalsContact O-C 3.29Å; H260-N305 WeakPolarHBondContact O-CA 3.25Å; H260-N305 WeakPolarHBondContact O-CB 3.23Å; H260-N305 PolarHBondContact O-N 3.35Å; H260-N305 VanDerWaalsContact O-N 3.1Å
261	R	98.7	Very high	97.8	Very high	124 Å²	124	39.3 Å²	39.3	47%	0.468	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.2	-177.7	71.3	-171.2	174.9	-147.4	3.1	113	Y72 E73	Y72-R261 CarbonylContact C-O 3.44Å; Y72-R261 WeakPolarHBondContact CA-O 3.49Å; Y72-R261 WeakPolarHBondContact CB-O 3.4Å; E73-R261 HydrophobicContact CB-CG 4.37Å; E73-R261 PolarHBondContact N-O 3.44Å; E73-R261 PolarHBondContact O-N 2.83Å; E73-R261 IonicContact OE1-NH2 3.01Å; E73-R261 IonicContact OE2-CZ 3.56Å; E73-R261 IonicContact OE2-NE 2.68Å; E73-R261 PolarHBondContact OE2-NE 3.5Å; E73-R261 IonicContact OE2-NH2 3.47Å; E73-R261 PolarHBondContact OE2-NH2 3.49Å
262	G	98.6	Very high	97.6	Very high	29 Å²	29	44.5 Å²	44.5	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	91	-172.1	-177	0	0	0	0	0	112.2	S71 Y259 L310	S71-G262 CarbonylContact O-C 3.53Å; S71-G262 WeakPolarHBondContact O-CA 3.43Å; Y259-G262 WeakPolarHBondContact CE2-O 3.44Å; Y259-G262 PolarHBondContact OH-O 2.76Å; G262-L310 WeakPolarHBondContact O-CB 3.23Å
263	I	98.8	Very high	97.5	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.6	179.7	-59.4	173.2	0	0	0	107.8	S71 H265 N286 K290 Y292 L310 A312	S71-I263 CarbonylContact C-O 3.56Å; S71-I263 PolarHBondContact O-N 3.04Å; S71-I263 PolarHBondContact OG-O 2.93Å; I263-H265 PolarHBondContact O-N 3.47Å; I263-N286 HydrophobicContact CD1-CB 4.47Å; I263-N286 WeakPolarHBondContact CD1-ND2 3.44Å; I263-K290 HydrophobicContact CD1-CB 3.71Å; I263-Y292 HydrophobicContact CD1-CD1 3.73Å; I263-Y292 HydrophobicContact CD1-CG 4.35Å; I263-Y292 HydrophobicContact CG1-CD1 4.17Å; I263-Y292 HydrophobicContact CG1-CG 4.41Å; I263-L310 CarbonylContact C-O 3.59Å; I263-L310 WeakPolarHBondContact CA-O 3.42Å; I263-L310 HydrophobicContact CG1-CB 4.5Å; I263-A312 HydrophobicContact CG2-CB 3.85Å
264	Y	98.9	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	126.8	177.2	-177.5	-103.9	0	0	0	110.6	Y72 S255 F256 Y259 D266 V309 L310 M311 A312 L318	Y72-Y264 AromaticContact CD2-CD2 3.84Å; Y72-Y264 HydrophobicContact CD2-CD2 3.84Å; Y72-Y264 HydrophobicContact CD2-CE2 4.47Å; Y72-Y264 HydrophobicContact CE1-CD2 4.33Å; Y72-Y264 AromaticContact CE2-CD2 3.55Å; Y72-Y264 HydrophobicContact CE2-CD2 3.55Å; Y72-Y264 AromaticContact CE2-CE2 3.75Å; Y72-Y264 HydrophobicContact CE2-CE2 3.75Å; Y72-Y264 HydrophobicContact CG-CD2 4.3Å; Y72-Y264 AromaticContact CZ-CD2 3.85Å; Y72-Y264 AromaticContact CZ-CE2 3.89Å; S255-Y264 WeakPolarHBondContact OG-CE2 3.5Å; S255-Y264 PolarHBondContact OG-OH 2.91Å; F256-Y264 HydrophobicContact CB-CE2 4.3Å; F256-Y264 HydrophobicContact CD2-CD1 4.29Å; F256-Y264 AromaticContact CD2-CE1 3.94Å; F256-Y264 HydrophobicContact CD2-CE1 3.94Å; Y259-Y264 HydrophobicContact CD2-CD2 4.03Å; Y259-Y264 HydrophobicContact CD2-CG 4.39Å; Y264-D266 HydrophobicContact CE1-CB 4.25Å; Y264-D266 HydrophobicContact CE2-CB 4.19Å; Y264-D266 VanDerWaalsContact OH-CB 3.26Å; Y264-D266 WeakPolarHBondContact OH-CB 3.39Å; Y264-V309 HydrophobicContact CG-CG2 4.36Å; Y264-L310 PolarHBondContact N-O 2.89Å; Y264-M311 HydrophobicContact CD1-CE 4.22Å; Y264-M311 HydrophobicContact CD1-CG 4.44Å; Y264-M311 HydrophobicContact CE1-CE 4.48Å; Y264-A312 WeakPolarHBondContact O-CB 3.02Å; Y264-A312 PolarHBondContact O-N 3.28Å; Y264-L318 WeakPolarHBondContact O-CD2 3.1Å
265	H	98.3	Very high	97.5	Very high	63 Å²	63	45.1 Å²	45.1	29%	0.292	23%	0.234	S	C	.	.			trans	-155.1	93.9	177	-179.8	-78.7	0	0	0	109.4	I263 A312 L318	I263-H265 PolarHBondContact O-N 3.47Å; H265-A312 HydrophobicContact CB-CB 4.07Å; H265-L318 HydrophobicContact CB-CD2 4.31Å
266	D	97.9	Very high	97.5	Very high	14 Å²	14	44.7 Å²	44.7	8%	0.075	23%	0.231	C	C	.	.			trans	-107.7	115.3	172.6	-165	-32.2	0	0	0	109.7	S255 Y264 N268 C269 L318	S255-D266 WeakPolarHBondContact CB-OD2 3.5Å; S255-D266 PolarHBondContact OG-OD2 3.05Å; Y264-D266 HydrophobicContact CE1-CB 4.25Å; Y264-D266 HydrophobicContact CE2-CB 4.19Å; Y264-D266 VanDerWaalsContact OH-CB 3.26Å; Y264-D266 WeakPolarHBondContact OH-CB 3.39Å; D266-N268 PolarHBondContact O-N 3.07Å; D266-N268 VanDerWaalsContact OD1-CB 3.25Å; D266-N268 WeakPolarHBondContact OD1-CB 3.2Å; D266-N268 PolarHBondContact OD1-N 2.68Å; D266-N268 PolarHBondContact OD1-ND2 3.47Å; D266-N268 VanDerWaalsContact OD1-ND2 3.13Å; D266-C269 WeakPolarHBondContact O-CB 3.42Å; D266-C269 PolarHBondContact O-N 2.74Å; D266-L318 WeakPolarHBondContact O-CD1 3.19Å
267	P	95.9	Very high	97.5	Very high	104 Å²	104	44.7 Å²	44.7	68%	0.675	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.7	178.3	29.7	-35.9	0	0	0	113.7	C269	P267-C269 VanDerWaalsContact C-N 3.29Å
268	N	96.9	Very high	97.5	Very high	114 Å²	114	44.7 Å²	44.7	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.5	178.3	-59.2	-45.8	0	0	0	113.1	D266 N270	D266-N268 PolarHBondContact O-N 3.07Å; D266-N268 VanDerWaalsContact OD1-CB 3.25Å; D266-N268 WeakPolarHBondContact OD1-CB 3.2Å; D266-N268 PolarHBondContact OD1-N 2.68Å; D266-N268 PolarHBondContact OD1-ND2 3.47Å; D266-N268 VanDerWaalsContact OD1-ND2 3.13Å; N268-N270 PolarHBondContact O-N 2.72Å
269	C	96.1	Very high	97.5	Very high	17 Å²	17	45 Å²	45	12%	0.115	23%	0.233	C	C	.	.			trans	-54.2	126.1	171.6	-98.8	0	0	0	0	111.3	D250 D266 P267 L318 C319	D250-C269 WeakPolarHBondContact OD2-CA 3.13Å; D266-C269 WeakPolarHBondContact O-CB 3.42Å; D266-C269 PolarHBondContact O-N 2.74Å; P267-C269 VanDerWaalsContact C-N 3.29Å; C269-L318 HydrophobicContact CB-CD1 4.34Å; C269-C319 HydrophobicContact CB-CB 3.71Å; C269-C319 WeakPolarHBondContact CB-SG 3.15Å; C269-C319 WeakPolarHBondContact SG-CB 3.49Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 3.19Å
270	N	95.8	Very high	97.5	Very high	78 Å²	78	44.9 Å²	44.9	42%	0.417	23%	0.232	S	C	.	.			trans	-95.2	102.4	176.5	-175.5	-2.1	0	0	0	110.5	D250 N268 E272 D273	D250-N270 WeakPolarHBondContact CB-O 3.37Å; D250-N270 PolarHBondContact OD2-N 2.86Å; N268-N270 PolarHBondContact O-N 2.72Å; N270-E272 PolarHBondContact O-N 3.23Å; N270-E272 PolarHBondContact OD1-N 2.8Å; N270-D273 HydrophobicContact CB-CB 3.97Å; N270-D273 WeakPolarHBondContact ND2-CB 3.42Å; N270-D273 PolarHBondContact O-N 3.04Å
271	K	94.6	Very high	97.5	Very high	97 Å²	97	43 Å²	43	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.8	179.3	65.8	176.8	-174.8	-177.4	0	115	I274 N323	K271-I274 WeakPolarHBondContact O-CD1 3.36Å; K271-N323 PolarHBondContact O-ND2 3.35Å
272	E	94.3	Very high	97.5	Very high	114 Å²	114	37.1 Å²	37.1	53%	0.533	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-10.2	175.8	-53.9	-55.3	140.1	0	0	113	K229 N270	K229-E272 IonicContact NZ-OE2 3.89Å; K229-E272 PolarHBondContact NZ-OE2 2.95Å; K229-E272 VanDerWaalsContact NZ-OE2 3.17Å; N270-E272 PolarHBondContact O-N 3.23Å; N270-E272 PolarHBondContact OD1-N 2.8Å
273	D	94.4	Very high	97.5	Very high	86 Å²	86	35.8 Å²	35.8	46%	0.46	19%	0.188	S	C	.	.			trans	-110.4	67.2	178.7	-167.7	19.1	0	0	0	110.6	D250 N270	D250-D273 WeakPolarHBondContact CB-O 3.41Å; N270-D273 HydrophobicContact CB-CB 3.97Å; N270-D273 WeakPolarHBondContact ND2-CB 3.42Å; N270-D273 PolarHBondContact O-N 3.04Å
274	I	97.2	Very high	97.5	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.108	19%	0.185	C	C	.	.			trans	-88.2	122.8	-176.2	-67.1	168.5	0	0	0	109.4	L94 K271 N323 L324	L94-I274 HydrophobicContact CD2-CG2 3.5Å; K271-I274 WeakPolarHBondContact O-CD1 3.36Å; I274-N323 HydrophobicContact CD1-CB 3.55Å; I274-L324 HydrophobicContact CB-CD1 4.02Å; I274-L324 HydrophobicContact CD1-CD1 3.94Å; I274-L324 HydrophobicContact CD1-CG 4.05Å; I274-L324 HydrophobicContact CG2-CD1 3.59Å
275	N	98	Very high	97.5	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.123	20%	0.2	C	C	.	.			trans	-127.5	-10.5	-174.2	52.4	35.3	0	0	0	114.3	T92 G93 L94 I249 A251 T252	T92-N275 VanDerWaalsContact CB-O 3.27Å; T92-N275 WeakPolarHBondContact CB-O 3.4Å; T92-N275 PolarHBondContact OG1-O 3.02Å; G93-N275 PolarHBondContact N-O 3.29Å; L94-N275 VanDerWaalsContact CB-C 3.42Å; L94-N275 WeakPolarHBondContact CB-O 3.42Å; L94-N275 PolarHBondContact N-O 2.86Å; I249-N275 PolarHBondContact O-N 2.93Å; A251-N275 PolarHBondContact N-OD1 3.12Å; T252-N275 WeakPolarHBondContact CG2-ND2 3.39Å
276	H	98.8	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.7	-175	-167.7	39	0	0	0	112.7	T92 C139 G248 I249 A251 V278 N297 W299	T92-H276 HydrophobicContact CG2-CB 3.79Å; C139-H276 WeakPolarHBondContact CB-CE1 3.22Å; C139-H276 VanDerWaalsContact CB-ND1 3.28Å; C139-H276 WeakPolarHBondContact CB-ND1 3.37Å; G248-H276 CarbonylContact C-O 3.38Å; G248-H276 WeakPolarHBondContact CA-O 3.02Å; I249-H276 HydrophobicContact CG1-CB 4.19Å; I249-H276 PolarHBondContact N-O 3.36Å; I249-H276 PolarHBondContact O-N 2.75Å; A251-H276 HydrophobicContact CB-CB 3.55Å; H276-V278 WeakPolarHBondContact CD2-CG1 3.36Å; H276-V278 WeakPolarHBondContact NE2-CG1 3.48Å; H276-N297 PolarHBondContact NE2-OD1 3.46Å; H276-W299 AromaticContact CD2-CZ2 3.96Å; H276-W299 AromaticContact CE1-CE2 3.93Å; H276-W299 AromaticContact CE1-NE1 3.53Å; H276-W299 AromaticContact NE2-CE2 3.67Å; H276-W299 AromaticContact NE2-CZ2 3.73Å; H276-W299 AromaticContact NE2-NE1 3.67Å
277	A	98.9	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.2	177.9	0	0	0	0	0	110.6	L94 C139 W140 M182	L94-A277 HydrophobicContact CB-CB 4.29Å; L94-A277 HydrophobicContact CD1-CB 4.02Å; L94-A277 HydrophobicContact CD2-CB 4.08Å; L94-A277 HydrophobicContact CG-CB 4.39Å; C139-A277 HydrophobicContact CB-CB 4.29Å; C139-A277 PolarHBondContact SG-N 3.36Å; C139-A277 VanDerWaalsContact SG-N 3.38Å; W140-A277 HydrophobicContact CB-CB 4.4Å; M182-A277 HydrophobicContact CE-CB 4.41Å; M182-A277 HydrophobicContact CG-CB 4.36Å; M182-A277 HydrophobicContact SD-CB 3.66Å
278	V	98.9	Very high	97.2	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	175	-176.8	-64.4	0	0	0	0	110.1	S143 V247 I249 H276 V295	S143-V278 PolarHBondContact OG-O 2.92Å; V247-V278 HydrophobicContact CG2-CG2 3.51Å; V247-V278 PolarHBondContact N-O 2.81Å; V247-V278 PolarHBondContact O-N 2.97Å; V247-V278 VanDerWaalsContact O-O 3.09Å; I249-V278 HydrophobicContact CD1-CG1 4.08Å; I249-V278 HydrophobicContact CD1-CG2 3.96Å; I249-V278 HydrophobicContact CG1-CG1 4.37Å; I249-V278 HydrophobicContact CG1-CG2 4.02Å; I249-V278 HydrophobicContact CG2-CG2 4.16Å; H276-V278 WeakPolarHBondContact CD2-CG1 3.36Å; H276-V278 WeakPolarHBondContact NE2-CG1 3.48Å; V278-V295 HydrophobicContact CB-CG1 3.63Å; V278-V295 HydrophobicContact CG1-CG1 4.4Å; V278-V295 HydrophobicContact CG2-CG1 3.34Å
279	L	98.9	Very high	97.2	Very high	6 Å²	6	43 Å²	43	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.7	-179.2	-175.1	76.9	0	0	0	110.7	A147 P244 V281 V295 K296	A147-L279 HydrophobicContact CB-CD1 3.85Å; P244-L279 HydrophobicContact CB-CD1 3.95Å; P244-L279 HydrophobicContact CB-CD2 4Å; P244-L279 HydrophobicContact CB-CG 4.05Å; L279-V281 HydrophobicContact CB-CG1 4.46Å; L279-V281 HydrophobicContact CD2-CG1 3.56Å; L279-V281 HydrophobicContact CG-CG1 3.82Å; L279-V281 PolarHBondContact O-N 3.04Å; L279-V295 CarbonylContact O-C 3.57Å; L279-V295 WeakPolarHBondContact O-CA 3.42Å; L279-K296 HydrophobicContact CB-CB 4.24Å; L279-K296 HydrophobicContact CD2-CD 4.33Å; L279-K296 PolarHBondContact N-O 2.83Å; L279-K296 VanDerWaalsContact N-O 3.13Å; L279-K296 PolarHBondContact O-N 2.86Å
280	A	98.9	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.2	167.4	0	0	0	0	0	108.9	L239 P244 V245 V247	L239-A280 HydrophobicContact CD1-CB 4.16Å; L239-A280 HydrophobicContact CD2-CB 4.08Å; L239-A280 VanDerWaalsContact CD2-O 3.23Å; L239-A280 WeakPolarHBondContact CD2-O 3.28Å; P244-A280 CarbonylContact C-O 3.46Å; P244-A280 VanDerWaalsContact CA-O 3.27Å; P244-A280 WeakPolarHBondContact CA-O 3.01Å; V245-A280 PolarHBondContact N-O 3.17Å; V245-A280 PolarHBondContact O-N 2.91Å; V247-A280 HydrophobicContact CG1-CB 3.95Å; V247-A280 HydrophobicContact CG2-CB 4.28Å
281	V	98.9	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	8.5	-177.1	-62.1	0	0	0	0	112.8	Y121 R122 V127 P244 L279 I294 K296 Y308	Y121-V281 WeakPolarHBondContact CB-O 3.5Å; Y121-V281 VanDerWaalsContact CD2-O 3.31Å; Y121-V281 WeakPolarHBondContact CD2-O 3.37Å; Y121-V281 PolarHBondContact N-O 3.03Å; R122-V281 HydrophobicContact CG-CG2 4.21Å; V127-V281 HydrophobicContact CG1-CG1 3.97Å; V127-V281 HydrophobicContact CG2-CB 3.86Å; V127-V281 HydrophobicContact CG2-CG1 3.75Å; P244-V281 HydrophobicContact CB-CG1 4.37Å; L279-V281 HydrophobicContact CB-CG1 4.46Å; L279-V281 HydrophobicContact CD2-CG1 3.56Å; L279-V281 HydrophobicContact CG-CG1 3.82Å; L279-V281 PolarHBondContact O-N 3.04Å; V281-I294 HydrophobicContact CG2-CB 4.05Å; V281-I294 HydrophobicContact CG2-CG2 3.6Å; V281-I294 WeakPolarHBondContact CG2-O 3.11Å; V281-I294 PolarHBondContact N-O 3.29Å; V281-K296 HydrophobicContact CG1-CB 4.03Å; V281-Y308 HydrophobicContact CG2-CD1 4.27Å; V281-Y308 HydrophobicContact CG2-CE1 3.98Å
282	G	98.8	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-172.7	179.4	0	0	0	0	0	113.5	V119 I294	V119-G282 CarbonylContact O-C 3.52Å; V119-G282 WeakPolarHBondContact O-CA 3.32Å; G282-I294 PolarHBondContact O-N 3.27Å
283	Y	98.8	Very high	97.8	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.9	175.4	61.4	-99.9	0	0	0	110.2	P116 S118 V119 A236 L239 Y292 W293	P116-Y283 WeakPolarHBondContact CD-OH 3.42Å; P116-Y283 WeakPolarHBondContact CG-OH 3.37Å; P116-Y283 VanDerWaalsContact O-CE2 3.29Å; P116-Y283 WeakPolarHBondContact O-CE2 3.47Å; P116-Y283 PolarHBondContact O-OH 3.15Å; S118-Y283 CarbonylContact C-O 3.58Å; S118-Y283 WeakPolarHBondContact CA-O 3.48Å; S118-Y283 WeakPolarHBondContact CB-O 3.12Å; V119-Y283 HydrophobicContact CB-CD1 4.28Å; V119-Y283 HydrophobicContact CB-CE1 4Å; V119-Y283 HydrophobicContact CG2-CD1 4.47Å; V119-Y283 HydrophobicContact CG2-CE1 3.72Å; V119-Y283 HydrophobicContact CG2-CE2 4.28Å; V119-Y283 PolarHBondContact N-O 3.22Å; V119-Y283 PolarHBondContact O-N 3.13Å; A236-Y283 HydrophobicContact CB-CD1 4.33Å; A236-Y283 HydrophobicContact CB-CE1 4.09Å; A236-Y283 WeakPolarHBondContact O-CE1 3.33Å; L239-Y283 HydrophobicContact CB-CD1 4.15Å; L239-Y283 HydrophobicContact CB-CE1 4.16Å; L239-Y283 HydrophobicContact CD1-CD1 4.09Å; Y283-Y292 CarbonylContact C-O 3.54Å; Y283-Y292 WeakPolarHBondContact CA-O 3.37Å; Y283-Y292 VanDerWaalsContact CB-O 3.3Å; Y283-Y292 WeakPolarHBondContact CB-O 3.4Å; Y283-W293 HydrophobicContact CD1-CZ3 4.01Å; Y283-W293 HydrophobicContact CG-CE3 4.48Å; Y283-W293 HydrophobicContact CG-CZ3 4.19Å
284	G	98.6	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-168.2	177.5	0	0	0	0	0	113.8	K291 Y292 R313	G284-K291 WeakPolarHBondContact O-CA 3.5Å; G284-Y292 PolarHBondContact N-O 2.84Å; G284-Y292 PolarHBondContact O-N 3.44Å; G284-Y292 VanDerWaalsContact O-N 3.12Å; G284-R313 PolarHBondContact O-NH2 2.78Å
285	V	98.2	Very high	98.1	Very high	51 Å²	51	34 Å²	34	31%	0.309	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	130.9	171.1	62.2	0	0	0	0	107.3	K117 G289 K290 K291	K117-V285 HydrophobicContact CB-CG1 4.23Å; V285-G289 VanDerWaalsContact CG2-C 3.44Å; V285-G289 WeakPolarHBondContact CG2-O 3.48Å; V285-K290 WeakPolarHBondContact CA-O 3.03Å; V285-K291 HydrophobicContact CB-CG 4.42Å; V285-K291 HydrophobicContact CG2-CG 4.29Å
286	N	96.2	Very high	98.1	Very high	51 Å²	51	33.7 Å²	33.7	27%	0.273	18%	0.183	S	C	.	.			trans	-80.8	176.1	177.7	73.8	5.9	0	0	0	111.1	I263 K288 G289 K290 Y292	I263-N286 HydrophobicContact CD1-CB 4.47Å; I263-N286 WeakPolarHBondContact CD1-ND2 3.44Å; N286-K288 PolarHBondContact O-N 2.92Å; N286-K288 VanDerWaalsContact O-N 3.15Å; N286-K288 WeakPolarHBondContact OD1-CA 3.2Å; N286-K288 PolarHBondContact OD1-N 3.43Å; N286-G289 PolarHBondContact O-N 2.8Å; N286-G289 PolarHBondContact OD1-N 2.97Å; N286-G289 VanDerWaalsContact OD1-N 3.17Å; N286-K290 PolarHBondContact N-O 3.46Å; N286-K290 PolarHBondContact OD1-N 2.93Å; N286-K290 PolarHBondContact OD1-O 3.2Å; N286-Y292 HydrophobicContact CB-CE1 4.24Å
287	S	95.5	Very high	98.1	Very high	130 Å²	130	34 Å²	34	91%	0.909	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.3	178.5	53.2	0	0	0	0	113.9	G289	S287-G289 VanDerWaalsContact C-N 3.31Å
288	K	94.2	Very high	98.1	Very high	176 Å²	176	34.2 Å²	34.2	77%	0.765	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8.6	176.6	-59.2	-177.2	179.8	179.9	0	113.1	N286 K290	N286-K288 PolarHBondContact O-N 2.92Å; N286-K288 VanDerWaalsContact O-N 3.15Å; N286-K288 WeakPolarHBondContact OD1-CA 3.2Å; N286-K288 PolarHBondContact OD1-N 3.43Å; K288-K290 VanDerWaalsContact C-N 3.25Å; K288-K290 PolarHBondContact O-N 2.72Å
289	G	96.4	Very high	98.1	Very high	50 Å²	50	34.1 Å²	34.1	52%	0.515	19%	0.186	S	C	.	.	S	Bend	trans	76.3	3.2	179.8	0	0	0	0	0	115.3	V285 N286 S287 K291	V285-G289 VanDerWaalsContact CG2-C 3.44Å; V285-G289 WeakPolarHBondContact CG2-O 3.48Å; N286-G289 PolarHBondContact O-N 2.8Å; N286-G289 PolarHBondContact OD1-N 2.97Å; N286-G289 VanDerWaalsContact OD1-N 3.17Å; S287-G289 VanDerWaalsContact C-N 3.31Å; G289-K291 PolarHBondContact O-N 3.35Å
290	K	97.6	Very high	98.1	Very high	84 Å²	84	34.2 Å²	34.2	37%	0.365	19%	0.189	S	C	.	.			trans	-75.9	124.4	176.8	-61.6	-171.5	176.2	-173.7	0	109.6	I263 V285 N286 K288	I263-K290 HydrophobicContact CD1-CB 3.71Å; V285-K290 WeakPolarHBondContact CA-O 3.03Å; N286-K290 PolarHBondContact N-O 3.46Å; N286-K290 PolarHBondContact OD1-N 2.93Å; N286-K290 PolarHBondContact OD1-O 3.2Å; K288-K290 VanDerWaalsContact C-N 3.25Å; K288-K290 PolarHBondContact O-N 2.72Å
291	K	98.6	Very high	98.1	Very high	91 Å²	91	39.8 Å²	39.8	40%	0.396	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	145.9	179.8	-65.4	174.4	-177.2	172.3	0	110.4	G284 V285 G289 R313 N314	G284-K291 WeakPolarHBondContact O-CA 3.5Å; V285-K291 HydrophobicContact CB-CG 4.42Å; V285-K291 HydrophobicContact CG2-CG 4.29Å; G289-K291 PolarHBondContact O-N 3.35Å; K291-R313 HydrophobicContact CB-CB 4.04Å; K291-R313 HydrophobicContact CB-CG 4.42Å; K291-R313 PolarHBondContact O-N 2.85Å; K291-N314 HydrophobicContact CD-CB 4.49Å
292	Y	98.9	Very high	98	Very high	45 Å²	45	43 Å²	43	18%	0.176	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.7	178.3	56.9	-93	0	0	0	111.8	I263 Y283 G284 N286 I294 L310 M311	I263-Y292 HydrophobicContact CD1-CD1 3.73Å; I263-Y292 HydrophobicContact CD1-CG 4.35Å; I263-Y292 HydrophobicContact CG1-CD1 4.17Å; I263-Y292 HydrophobicContact CG1-CG 4.41Å; Y283-Y292 CarbonylContact C-O 3.54Å; Y283-Y292 WeakPolarHBondContact CA-O 3.37Å; Y283-Y292 VanDerWaalsContact CB-O 3.3Å; Y283-Y292 WeakPolarHBondContact CB-O 3.4Å; G284-Y292 PolarHBondContact N-O 2.84Å; G284-Y292 PolarHBondContact O-N 3.44Å; G284-Y292 VanDerWaalsContact O-N 3.12Å; N286-Y292 HydrophobicContact CB-CE1 4.24Å; Y292-I294 HydrophobicContact CD2-CG1 4.06Å; Y292-I294 HydrophobicContact CE2-CD1 4.29Å; Y292-I294 HydrophobicContact CE2-CG1 3.8Å; Y292-L310 HydrophobicContact CD2-CB 4.18Å; Y292-L310 HydrophobicContact CD2-CD1 4.18Å; Y292-L310 HydrophobicContact CD2-CD2 3.79Å; Y292-L310 HydrophobicContact CD2-CG 4.27Å; Y292-L310 HydrophobicContact CE2-CD1 4.19Å; Y292-L310 HydrophobicContact CE2-CD2 3.94Å; Y292-L310 HydrophobicContact CG-CB 4.33Å; Y292-L310 HydrophobicContact CG-CD1 4.49Å; Y292-M311 CarbonylContact C-O 3.54Å; Y292-M311 WeakPolarHBondContact CA-O 3.1Å; Y292-M311 WeakPolarHBondContact CB-O 3.47Å
293	W	98.9	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	150	161.6	-59.3	113.8	0	0	0	109.2	E232 L235 A236 L239 Y283 V295 L310 M311 R313 I321	E232-W293 HydrophobicContact CB-CZ2 3.99Å; E232-W293 HydrophobicContact CG-CZ2 4.31Å; E232-W293 VanDerWaalsContact O-CH2 3.28Å; E232-W293 WeakPolarHBondContact O-CH2 3.43Å; E232-W293 PolarHBondContact OE1-NE1 3.34Å; L235-W293 HydrophobicContact CB-CH2 4.02Å; L235-W293 HydrophobicContact CB-CZ2 4.4Å; L235-W293 HydrophobicContact CD2-CD2 4.49Å; L235-W293 HydrophobicContact CD2-CH2 3.95Å; L235-W293 HydrophobicContact CD2-CZ2 3.84Å; L235-W293 HydrophobicContact CD2-CZ3 4.35Å; L235-W293 HydrophobicContact CG-CH2 3.79Å; L235-W293 HydrophobicContact CG-CZ2 4.19Å; L235-W293 HydrophobicContact CG-CZ3 4.11Å; A236-W293 HydrophobicContact CB-CH2 3.81Å; A236-W293 HydrophobicContact CB-CZ3 4.1Å; L239-W293 HydrophobicContact CD1-CE3 3.74Å; L239-W293 HydrophobicContact CD1-CH2 4.48Å; L239-W293 HydrophobicContact CD1-CZ3 3.46Å; L239-W293 VanDerWaalsContact CD1-CZ3 3.46Å; Y283-W293 HydrophobicContact CD1-CZ3 4.01Å; Y283-W293 HydrophobicContact CG-CE3 4.48Å; Y283-W293 HydrophobicContact CG-CZ3 4.19Å; W293-V295 HydrophobicContact CB-CG2 3.95Å; W293-L310 VanDerWaalsContact O-CA 3.25Å; W293-L310 WeakPolarHBondContact O-CA 3.25Å; W293-M311 HydrophobicContact CB-CB 4.45Å; W293-M311 PolarHBondContact N-O 3.21Å; W293-M311 PolarHBondContact O-N 3.2Å; W293-R313 HydrophobicContact CD2-CB 4.08Å; W293-R313 HydrophobicContact CD2-CG 3.92Å; W293-R313 HydrophobicContact CE3-CG 4.46Å; W293-R313 HydrophobicContact CG-CB 4.08Å; W293-R313 HydrophobicContact CG-CG 4.45Å; W293-R313 HydrophobicContact CH2-CG 4.03Å; W293-R313 HydrophobicContact CZ2-CB 4.36Å; W293-R313 HydrophobicContact CZ2-CG 3.44Å; W293-R313 VanDerWaalsContact CZ2-CG 3.44Å; W293-R313 VanDerWaalsContact CZ3-CD 3.46Å; W293-R313 HydrophobicContact CZ3-CG 4.47Å; W293-I321 HydrophobicContact CB-CD1 4.02Å; W293-I321 HydrophobicContact CG-CD1 3.85Å
294	I	98.9	Very high	98	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116	168.3	-52.7	171.6	0	0	0	105.8	D120 V281 G282 Y292 Y308 L310	D120-I294 HydrophobicContact CB-CD1 3.94Å; V281-I294 HydrophobicContact CG2-CB 4.05Å; V281-I294 HydrophobicContact CG2-CG2 3.6Å; V281-I294 WeakPolarHBondContact CG2-O 3.11Å; V281-I294 PolarHBondContact N-O 3.29Å; G282-I294 PolarHBondContact O-N 3.27Å; Y292-I294 HydrophobicContact CD2-CG1 4.06Å; Y292-I294 HydrophobicContact CE2-CD1 4.29Å; Y292-I294 HydrophobicContact CE2-CG1 3.8Å; I294-Y308 HydrophobicContact CG2-CD1 4.34Å; I294-L310 HydrophobicContact CB-CD2 4.3Å; I294-L310 HydrophobicContact CG1-CD2 3.93Å; I294-L310 HydrophobicContact CG2-CD2 4.22Å
295	V	98.9	Very high	98	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127	-171.6	179.6	0	0	0	0	109	V278 L279 W293 Y308 V309 M311 I321	V278-V295 HydrophobicContact CB-CG1 3.63Å; V278-V295 HydrophobicContact CG1-CG1 4.4Å; V278-V295 HydrophobicContact CG2-CG1 3.34Å; L279-V295 CarbonylContact O-C 3.57Å; L279-V295 WeakPolarHBondContact O-CA 3.42Å; W293-V295 HydrophobicContact CB-CG2 3.95Å; V295-Y308 CarbonylContact O-C 3.46Å; V295-Y308 VanDerWaalsContact O-CA 3.24Å; V295-Y308 WeakPolarHBondContact O-CA 3.41Å; V295-Y308 WeakPolarHBondContact O-CD1 3.47Å; V295-V309 HydrophobicContact CB-CG1 3.79Å; V295-V309 HydrophobicContact CG1-CG1 4.13Å; V295-V309 PolarHBondContact N-O 3.35Å; V295-V309 PolarHBondContact O-N 3.19Å; V295-M311 HydrophobicContact CG2-CG 4.24Å; V295-M311 HydrophobicContact CG2-SD 4.07Å; V295-I321 HydrophobicContact CG2-CD1 3.81Å
296	K	98.9	Very high	98	Very high	16 Å²	16	52.2 Å²	52.2	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.8	173.4	-173.5	-177.6	177.2	-178.5	0	108.4	V127 T128 S129 V130 L279 V281 Y308	V127-K296 HydrophobicContact CG1-CD 3.76Å; T128-K296 PolarHBondContact O-NZ 2.93Å; T128-K296 PolarHBondContact OG1-NZ 3.26Å; S129-K296 VanDerWaalsContact O-CE 3.27Å; S129-K296 WeakPolarHBondContact O-CE 3.48Å; S129-K296 PolarHBondContact O-NZ 3.46Å; V130-K296 HydrophobicContact CG2-CG 4.2Å; L279-K296 HydrophobicContact CB-CB 4.24Å; L279-K296 HydrophobicContact CD2-CD 4.33Å; L279-K296 PolarHBondContact N-O 2.83Å; L279-K296 VanDerWaalsContact N-O 3.13Å; L279-K296 PolarHBondContact O-N 2.86Å; V281-K296 HydrophobicContact CG1-CB 4.03Å; K296-Y308 HydrophobicContact CB-CD1 3.9Å; K296-Y308 HydrophobicContact CB-CE1 3.51Å; K296-Y308 HydrophobicContact CD-CE1 4.31Å; K296-Y308 HydrophobicContact CG-CD1 4.33Å; K296-Y308 HydrophobicContact CG-CE1 3.69Å
297	N	98.9	Very high	98.2	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.032	27%	0.271	C	S	.	.			trans	-97.9	172.7	175.1	-159.2	2	0	0	0	110.8	H276 W299 W303 G307	H276-N297 PolarHBondContact NE2-OD1 3.46Å; N297-W299 VanDerWaalsContact ND2-CD2 3.31Å; N297-W303 HydrophobicContact CB-CE3 3.71Å; N297-W303 HydrophobicContact CB-CH2 4.1Å; N297-W303 HydrophobicContact CB-CZ3 3.37Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.33Å; N297-W303 WeakPolarHBondContact ND2-CZ2 3.47Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.19Å; N297-G307 PolarHBondContact N-O 2.04Å
298	S	98.8	Very high	98.3	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.035	23%	0.233	C	C	.	.	S	Bend	trans	-118.2	23.2	-179.9	44.9	0	0	0	0	112.6	K131 N132 Q133	K131-S298 CarbonylContact O-C 3.53Å; K131-S298 VanDerWaalsContact O-C 3.28Å; N132-S298 CarbonylContact C-O 3.59Å; N132-S298 VanDerWaalsContact CA-O 3.3Å; N132-S298 WeakPolarHBondContact CA-O 3.09Å; Q133-S298 PolarHBondContact N-O 3.09Å; Q133-S298 PolarHBondContact OE1-OG 3.21Å
299	W	98.8	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-103.4	26	178.3	-58.1	-18	0	0	0	112.8	H78 L79 V87 M91 T92 A251 F256 H276 N297 W303	H78-W299 PolarHBondContact CE1-O 2.95Å; L79-W299 HydrophobicContact CD1-CE3 4Å; L79-W299 HydrophobicContact CD1-CZ3 4.3Å; V87-W299 HydrophobicContact CG1-CH2 3.81Å; V87-W299 HydrophobicContact CG1-CZ2 4Å; V87-W299 HydrophobicContact CG1-CZ3 4.31Å; M91-W299 HydrophobicContact CE-CB 4.49Å; M91-W299 HydrophobicContact CE-CG 4.3Å; M91-W299 PolarHBondContact O-NE1 2.58Å; T92-W299 HydrophobicContact CG2-CZ2 3.97Å; A251-W299 HydrophobicContact CB-CH2 4.21Å; F256-W299 AromaticContact CD1-CH2 3.79Å; F256-W299 HydrophobicContact CD1-CH2 3.79Å; F256-W299 AromaticContact CD1-CZ3 3.78Å; F256-W299 HydrophobicContact CD1-CZ3 3.78Å; F256-W299 AromaticContact CE1-CH2 3.68Å; F256-W299 HydrophobicContact CE1-CH2 3.68Å; F256-W299 AromaticContact CE1-CZ3 3.67Å; F256-W299 HydrophobicContact CE1-CZ3 3.67Å; H276-W299 AromaticContact CD2-CZ2 3.96Å; H276-W299 AromaticContact CE1-CE2 3.93Å; H276-W299 AromaticContact CE1-NE1 3.53Å; H276-W299 AromaticContact NE2-CE2 3.67Å; H276-W299 AromaticContact NE2-CZ2 3.73Å; H276-W299 AromaticContact NE2-NE1 3.67Å; N297-W299 VanDerWaalsContact ND2-CD2 3.31Å; W299-W303 HydrophobicContact CB-CB 4.12Å; W299-W303 HydrophobicContact CB-CG 4.29Å; W299-W303 AromaticContact CE3-CD1 3.65Å; W299-W303 AromaticContact CE3-CD2 3.95Å; W299-W303 HydrophobicContact CE3-CD2 3.95Å; W299-W303 AromaticContact CE3-CE2 3.65Å; W299-W303 AromaticContact CE3-CG 3.94Å; W299-W303 HydrophobicContact CE3-CG 3.94Å; W299-W303 HydrophobicContact CE3-CZ2 4.24Å; W299-W303 AromaticContact CE3-NE1 3.48Å; W299-W303 AromaticContact CZ3-CE2 3.88Å; W299-W303 HydrophobicContact CZ3-CZ2 4.17Å; W299-W303 AromaticContact CZ3-NE1 3.62Å
300	G	98.6	Very high	98.7	Very high	9 Å²	9	35.9 Å²	35.9	9%	0.093	18%	0.181	C	C	.	.			trans	74.8	171.5	-178.3	0	0	0	0	0	114.5	K131 A302 W303 G307	K131-G300 WeakPolarHBondContact O-CA 3.45Å; K131-G300 PolarHBondContact O-N 3.22Å; G300-A302 VanDerWaalsContact C-N 3.29Å; G300-A302 PolarHBondContact O-N 2.84Å; G300-W303 PolarHBondContact O-N 2.87Å; G300-G307 WeakPolarHBondContact O-CA 3.32Å
301	E	98.5	Very high	98.7	Very high	116 Å²	116	32 Å²	32	54%	0.542	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.2	-177.3	-67.8	-172.8	-178.8	0	0	113.5	V130 W303 K306 G307	V130-E301 HydrophobicContact CB-CG 3.71Å; V130-E301 HydrophobicContact CG1-CG 4.17Å; V130-E301 HydrophobicContact CG2-CG 4.42Å; E301-W303 PolarHBondContact O-N 3Å; E301-K306 WeakPolarHBondContact O-CA 3.5Å; E301-G307 PolarHBondContact O-N 3.03Å
302	A	97.5	Very high	98.7	Very high	68 Å²	68	27.8 Å²	27.8	56%	0.562	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.8	177.5	0	0	0	0	0	113.4	G300	G300-A302 VanDerWaalsContact C-N 3.29Å; G300-A302 PolarHBondContact O-N 2.84Å
303	W	98.8	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-99.7	144.2	172.4	177.2	90.8	0	0	0	110.9	F256 Q257 Y259 N297 W299 G300 E301 G307 V309	F256-W303 AromaticContact CD1-CZ2 3.95Å; F256-W303 HydrophobicContact CD1-CZ2 3.95Å; F256-W303 HydrophobicContact CD2-CZ2 4.5Å; F256-W303 AromaticContact CE1-CH2 3.95Å; F256-W303 HydrophobicContact CE1-CH2 3.95Å; F256-W303 AromaticContact CE1-CZ2 3.56Å; F256-W303 HydrophobicContact CE1-CZ2 3.56Å; F256-W303 HydrophobicContact CE2-CH2 4.1Å; F256-W303 HydrophobicContact CE2-CZ2 4.17Å; F256-W303 HydrophobicContact CG-CZ2 4.4Å; F256-W303 AromaticContact CZ-CH2 3.61Å; F256-W303 HydrophobicContact CZ-CH2 3.61Å; F256-W303 AromaticContact CZ-CZ2 3.68Å; F256-W303 HydrophobicContact CZ-CZ2 3.68Å; F256-W303 VanDerWaalsContact O-CZ2 3.32Å; F256-W303 WeakPolarHBondContact O-CZ2 3.31Å; F256-W303 PolarHBondContact O-NE1 3.37Å; Q257-W303 PolarHBondContact O-NE1 3.49Å; Y259-W303 HydrophobicContact CD1-CH2 4.34Å; N297-W303 HydrophobicContact CB-CE3 3.71Å; N297-W303 HydrophobicContact CB-CH2 4.1Å; N297-W303 HydrophobicContact CB-CZ3 3.37Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.33Å; N297-W303 WeakPolarHBondContact ND2-CZ2 3.47Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.19Å; W299-W303 HydrophobicContact CB-CB 4.12Å; W299-W303 HydrophobicContact CB-CG 4.29Å; W299-W303 AromaticContact CE3-CD1 3.65Å; W299-W303 AromaticContact CE3-CD2 3.95Å; W299-W303 HydrophobicContact CE3-CD2 3.95Å; W299-W303 AromaticContact CE3-CE2 3.65Å; W299-W303 AromaticContact CE3-CG 3.94Å; W299-W303 HydrophobicContact CE3-CG 3.94Å; W299-W303 HydrophobicContact CE3-CZ2 4.24Å; W299-W303 AromaticContact CE3-NE1 3.48Å; W299-W303 AromaticContact CZ3-CE2 3.88Å; W299-W303 HydrophobicContact CZ3-CZ2 4.17Å; W299-W303 AromaticContact CZ3-NE1 3.62Å; G300-W303 PolarHBondContact O-N 2.87Å; E301-W303 PolarHBondContact O-N 3Å; W303-G307 WeakPolarHBondContact O-CA 3.39Å; W303-G307 PolarHBondContact O-N 3.26Å; W303-V309 HydrophobicContact CH2-CB 3.75Å; W303-V309 HydrophobicContact CH2-CG1 3.86Å; W303-V309 HydrophobicContact CZ3-CB 4.16Å; W303-V309 HydrophobicContact CZ3-CG1 4.31Å
304	G	98.8	Very high	98.7	Very high	10 Å²	10	30.4 Å²	30.4	10%	0.103	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-155.7	175.6	0	0	0	0	0	113.8	Y259 H260 K306	Y259-G304 WeakPolarHBondContact O-CA 3.25Å; Y259-G304 PolarHBondContact O-N 3.47Å; H260-G304 CarbonylContact O-C 3.49Å; H260-G304 VanDerWaalsContact O-C 3.29Å; G304-K306 PolarHBondContact O-N 3.13Å; G304-K306 VanDerWaalsContact O-N 3.09Å
305	N	98.6	Very high	98.6	Very high	82 Å²	82	36.9 Å²	36.9	44%	0.439	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-86.5	83.2	175.7	-170.8	-15.8	0	0	0	109	H260 G307 Y308	H260-N305 WeakPolarHBondContact O-CA 3.25Å; H260-N305 WeakPolarHBondContact O-CB 3.23Å; H260-N305 PolarHBondContact O-N 3.35Å; H260-N305 VanDerWaalsContact O-N 3.1Å; N305-G307 VanDerWaalsContact C-N 3.31Å; N305-G307 PolarHBondContact O-N 2.92Å; N305-Y308 PolarHBondContact N-O 3.06Å; N305-Y308 PolarHBondContact O-N 3.29Å
306	K	98.6	Very high	98.5	Very high	153 Å²	153	39.7 Å²	39.7	67%	0.665	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	45.2	-175.9	-56.4	-174.6	176.2	-170.6	0	112.1	E301 G304 Y308	E301-K306 WeakPolarHBondContact O-CA 3.5Å; G304-K306 PolarHBondContact O-N 3.13Å; G304-K306 VanDerWaalsContact O-N 3.09Å; K306-Y308 VanDerWaalsContact O-CD2 3.24Å; K306-Y308 WeakPolarHBondContact O-CD2 3.42Å
307	G	98.8	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	7.5	-179.1	0	0	0	0	0	116	N297 G300 E301 W303 N305	N297-G307 PolarHBondContact N-O 2.04Å; G300-G307 WeakPolarHBondContact O-CA 3.32Å; E301-G307 PolarHBondContact O-N 3.03Å; W303-G307 WeakPolarHBondContact O-CA 3.39Å; W303-G307 PolarHBondContact O-N 3.26Å; N305-G307 VanDerWaalsContact C-N 3.31Å; N305-G307 PolarHBondContact O-N 2.92Å
308	Y	98.9	Very high	98.4	Very high	27 Å²	27	39.9 Å²	39.9	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.6	178.5	-64.2	-94.1	0	0	0	112.1	R122 V127 V130 Y259 V281 I294 V295 K296 N305 K306	R122-Y308 VanDerWaalsContact CD-CE1 3.47Å; R122-Y308 HydrophobicContact CG-CE1 4.06Å; V127-Y308 WeakPolarHBondContact CG1-OH 3.45Å; V130-Y308 HydrophobicContact CG2-CD2 4.12Å; V130-Y308 HydrophobicContact CG2-CE2 3.46Å; V130-Y308 VanDerWaalsContact CG2-CE2 3.46Å; Y259-Y308 WeakPolarHBondContact CE1-O 3.24Å; V281-Y308 HydrophobicContact CG2-CD1 4.27Å; V281-Y308 HydrophobicContact CG2-CE1 3.98Å; I294-Y308 HydrophobicContact CG2-CD1 4.34Å; V295-Y308 CarbonylContact O-C 3.46Å; V295-Y308 VanDerWaalsContact O-CA 3.24Å; V295-Y308 WeakPolarHBondContact O-CA 3.41Å; V295-Y308 WeakPolarHBondContact O-CD1 3.47Å; K296-Y308 HydrophobicContact CB-CD1 3.9Å; K296-Y308 HydrophobicContact CB-CE1 3.51Å; K296-Y308 HydrophobicContact CD-CE1 4.31Å; K296-Y308 HydrophobicContact CG-CD1 4.33Å; K296-Y308 HydrophobicContact CG-CE1 3.69Å; N305-Y308 PolarHBondContact N-O 3.06Å; N305-Y308 PolarHBondContact O-N 3.29Å; K306-Y308 VanDerWaalsContact O-CD2 3.24Å; K306-Y308 WeakPolarHBondContact O-CD2 3.42Å
309	V	98.9	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.4	169.3	58.3	0	0	0	0	110.6	F256 Y259 Y264 V295 W303 M311	F256-V309 HydrophobicContact CE2-CG1 4.08Å; F256-V309 HydrophobicContact CE2-CG2 4.44Å; F256-V309 HydrophobicContact CZ-CG1 4.36Å; Y259-V309 HydrophobicContact CD1-CB 3.81Å; Y259-V309 HydrophobicContact CD1-CG2 3.72Å; Y259-V309 HydrophobicContact CD2-CG2 3.94Å; Y259-V309 HydrophobicContact CE1-CB 3.69Å; Y259-V309 HydrophobicContact CE1-CG2 3.67Å; Y259-V309 HydrophobicContact CE2-CG2 3.84Å; Y259-V309 HydrophobicContact CG-CB 4.42Å; Y259-V309 HydrophobicContact CG-CG2 3.87Å; Y264-V309 HydrophobicContact CG-CG2 4.36Å; V295-V309 HydrophobicContact CB-CG1 3.79Å; V295-V309 HydrophobicContact CG1-CG1 4.13Å; V295-V309 PolarHBondContact N-O 3.35Å; V295-V309 PolarHBondContact O-N 3.19Å; W303-V309 HydrophobicContact CH2-CB 3.75Å; W303-V309 HydrophobicContact CH2-CG1 3.86Å; W303-V309 HydrophobicContact CZ3-CB 4.16Å; W303-V309 HydrophobicContact CZ3-CG1 4.31Å; V309-M311 HydrophobicContact CG1-CG 3.93Å; V309-M311 HydrophobicContact CG1-SD 4.29Å; V309-M311 HydrophobicContact CG2-CG 3.88Å
310	L	98.9	Very high	98.4	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.199	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102	167.7	-54.5	-175.8	0	0	0	109	Y259 G262 I263 Y264 Y292 W293 I294	Y259-L310 PolarHBondContact OH-N 3.34Å; G262-L310 WeakPolarHBondContact O-CB 3.23Å; I263-L310 CarbonylContact C-O 3.59Å; I263-L310 WeakPolarHBondContact CA-O 3.42Å; I263-L310 HydrophobicContact CG1-CB 4.5Å; Y264-L310 PolarHBondContact N-O 2.89Å; Y292-L310 HydrophobicContact CD2-CB 4.18Å; Y292-L310 HydrophobicContact CD2-CD1 4.18Å; Y292-L310 HydrophobicContact CD2-CD2 3.79Å; Y292-L310 HydrophobicContact CD2-CG 4.27Å; Y292-L310 HydrophobicContact CE2-CD1 4.19Å; Y292-L310 HydrophobicContact CE2-CD2 3.94Å; Y292-L310 HydrophobicContact CG-CB 4.33Å; Y292-L310 HydrophobicContact CG-CD1 4.49Å; W293-L310 VanDerWaalsContact O-CA 3.25Å; W293-L310 WeakPolarHBondContact O-CA 3.25Å; I294-L310 HydrophobicContact CB-CD2 4.3Å; I294-L310 HydrophobicContact CG1-CD2 3.93Å; I294-L310 HydrophobicContact CG2-CD2 4.22Å
311	M	98.9	Very high	98.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.9	179.8	-61	-177.5	76.6	0	0	110.8	I249 F256 Y264 Y292 W293 V295 V309 R313 C319 I321	I249-M311 HydrophobicContact CB-CE 4.33Å; I249-M311 HydrophobicContact CD1-CE 4.14Å; I249-M311 HydrophobicContact CD1-SD 3.99Å; I249-M311 HydrophobicContact CG2-CE 3.98Å; I249-M311 HydrophobicContact CG2-SD 4.04Å; F256-M311 HydrophobicContact CE2-SD 4.5Å; Y264-M311 HydrophobicContact CD1-CE 4.22Å; Y264-M311 HydrophobicContact CD1-CG 4.44Å; Y264-M311 HydrophobicContact CE1-CE 4.48Å; Y292-M311 CarbonylContact C-O 3.54Å; Y292-M311 WeakPolarHBondContact CA-O 3.1Å; Y292-M311 WeakPolarHBondContact CB-O 3.47Å; W293-M311 HydrophobicContact CB-CB 4.45Å; W293-M311 PolarHBondContact N-O 3.21Å; W293-M311 PolarHBondContact O-N 3.2Å; V295-M311 HydrophobicContact CG2-CG 4.24Å; V295-M311 HydrophobicContact CG2-SD 4.07Å; V309-M311 HydrophobicContact CG1-CG 3.93Å; V309-M311 HydrophobicContact CG1-SD 4.29Å; V309-M311 HydrophobicContact CG2-CG 3.88Å; M311-R313 PolarHBondContact O-N 3.47Å; M311-C319 HydrophobicContact CE-CB 3.83Å; M311-I321 HydrophobicContact CB-CD1 4.38Å; M311-I321 HydrophobicContact SD-CD1 3.9Å
312	A	98.8	Very high	98.4	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.4	-179.6	0	0	0	0	0	111.9	I263 Y264 H265 R315 L318	I263-A312 HydrophobicContact CG2-CB 3.85Å; Y264-A312 WeakPolarHBondContact O-CB 3.02Å; Y264-A312 PolarHBondContact O-N 3.28Å; H265-A312 HydrophobicContact CB-CB 4.07Å; A312-R315 HydrophobicContact CB-CB 4.17Å; A312-R315 HydrophobicContact CB-CG 3.8Å; A312-L318 HydrophobicContact CB-CD2 3.8Å
313	R	98.6	Very high	98.4	Very high	25 Å²	25	30.9 Å²	30.9	9%	0.094	16%	0.16	C	C	.	.	S	Bend	trans	-113	144.6	-177.8	176.2	171.2	74.3	101.4	-3.5	111.5	G284 K291 W293 M311 R315	G284-R313 PolarHBondContact O-NH2 2.78Å; K291-R313 HydrophobicContact CB-CB 4.04Å; K291-R313 HydrophobicContact CB-CG 4.42Å; K291-R313 PolarHBondContact O-N 2.85Å; W293-R313 HydrophobicContact CD2-CB 4.08Å; W293-R313 HydrophobicContact CD2-CG 3.92Å; W293-R313 HydrophobicContact CE3-CG 4.46Å; W293-R313 HydrophobicContact CG-CB 4.08Å; W293-R313 HydrophobicContact CG-CG 4.45Å; W293-R313 HydrophobicContact CH2-CG 4.03Å; W293-R313 HydrophobicContact CZ2-CB 4.36Å; W293-R313 HydrophobicContact CZ2-CG 3.44Å; W293-R313 VanDerWaalsContact CZ2-CG 3.44Å; W293-R313 VanDerWaalsContact CZ3-CD 3.46Å; W293-R313 HydrophobicContact CZ3-CG 4.47Å; M311-R313 PolarHBondContact O-N 3.47Å; R313-R315 VanDerWaalsContact C-N 3.31Å
314	N	97.6	Very high	98.3	Very high	75 Å²	75	31.5 Å²	31.5	40%	0.401	16%	0.164	S	C	.	.	S	Bend	trans	56.8	46.8	-173.3	-63.5	16.9	0	0	0	110.9	E232 K291	E232-N314 VanDerWaalsContact CD-N 3.32Å; E232-N314 PolarHBondContact OE1-N 2.94Å; E232-N314 WeakPolarHBondContact OE2-CA 3.36Å; E232-N314 PolarHBondContact OE2-N 2.68Å; K291-N314 HydrophobicContact CD-CB 4.49Å
315	R	97	Very high	98.3	Very high	139 Å²	139	31 Å²	31	53%	0.525	16%	0.159	S	C	.	.	S	Bend	trans	-126.5	39.4	-178.9	-71.5	-60.4	-141.9	-137.6	6.6	111	E232 A312 R313	E232-R315 PolarHBondContact OE2-N 3.12Å; A312-R315 HydrophobicContact CB-CB 4.17Å; A312-R315 HydrophobicContact CB-CG 3.8Å; R313-R315 VanDerWaalsContact C-N 3.31Å
316	G	96.8	Very high	98.3	Very high	60 Å²	60	27.1 Å²	27.1	62%	0.619	14%	0.138	S	C	*	.	S	Bend	trans	78.8	34.8	178.3	0	0	0	0	0	113.4
317	N	98.3	Very high	98.2	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.059	11%	0.11	C	C	.	.	S	Bend	trans	54.5	53.9	-177.4	-172	33.7	0	0	0	112	E232 C319 G320 I321 A322 N323	E232-N317 HydrophobicContact CG-CB 4.44Å; E232-N317 PolarHBondContact OE2-N 3.49Å; N317-C319 PolarHBondContact O-N 2.76Å; N317-G320 WeakPolarHBondContact O-CA 3.39Å; N317-G320 PolarHBondContact O-N 2.04Å; N317-I321 PolarHBondContact OD1-N 2.94Å; N317-A322 WeakPolarHBondContact OD1-CB 3.04Å; N317-A322 PolarHBondContact OD1-N 2.71Å; N317-N323 PolarHBondContact ND2-OD1 3.15Å
318	L	98.2	Very high	98.2	Very high	14 Å²	14	20.8 Å²	20.8	7%	0.073	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-49.7	131.5	-177.5	179.6	72.1	0	0	0	111.3	Y264 H265 D266 C269 A312 G320 I321	Y264-L318 WeakPolarHBondContact O-CD2 3.1Å; H265-L318 HydrophobicContact CB-CD2 4.31Å; D266-L318 WeakPolarHBondContact O-CD1 3.19Å; C269-L318 HydrophobicContact CB-CD1 4.34Å; A312-L318 HydrophobicContact CB-CD2 3.8Å; L318-G320 PolarHBondContact O-N 3.08Å; L318-I321 PolarHBondContact O-N 3.2Å
319	C	98.3	Very high	98	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	53.3	17.4	-176.6	-40.4	0	0	0	0	114.2	I249 D250 C269 M311 N317 I321	I249-C319 CarbonylContact C-O 3.58Å; I249-C319 VanDerWaalsContact CA-O 3.29Å; I249-C319 WeakPolarHBondContact CA-O 3.4Å; I249-C319 HydrophobicContact CB-CB 4.35Å; D250-C319 HydrophobicContact CB-CB 4.16Å; D250-C319 PolarHBondContact N-O 3.44Å; C269-C319 HydrophobicContact CB-CB 3.71Å; C269-C319 WeakPolarHBondContact CB-SG 3.15Å; C269-C319 WeakPolarHBondContact SG-CB 3.49Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 3.19Å; M311-C319 HydrophobicContact CE-CB 3.83Å; N317-C319 PolarHBondContact O-N 2.76Å; C319-I321 PolarHBondContact O-N 3.5Å
320	G	98.4	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	75.5	16.4	177.8	0	0	0	0	0	115.2	N317 L318 A322 N323	N317-G320 WeakPolarHBondContact O-CA 3.39Å; N317-G320 PolarHBondContact O-N 2.04Å; L318-G320 PolarHBondContact O-N 3.08Å; G320-A322 PolarHBondContact O-N 2.91Å; G320-N323 VanDerWaalsContact O-CB 3.25Å; G320-N323 WeakPolarHBondContact O-CB 3.42Å; G320-N323 PolarHBondContact O-N 2.87Å
321	I	98.8	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.5	-171.9	-168.9	159.5	0	0	0	115.9	L235 V247 G248 I249 W293 V295 M311 N317 L318 C319	L235-I321 HydrophobicContact CD2-CG1 4.44Å; V247-I321 HydrophobicContact CB-CG1 4.24Å; V247-I321 WeakPolarHBondContact CB-O 3.1Å; V247-I321 HydrophobicContact CG2-CD1 4.41Å; V247-I321 HydrophobicContact CG2-CG1 3.94Å; G248-I321 WeakPolarHBondContact O-CA 3.05Å; I249-I321 HydrophobicContact CG2-CB 3.94Å; I249-I321 HydrophobicContact CG2-CD1 4.28Å; I249-I321 HydrophobicContact CG2-CG1 3.97Å; W293-I321 HydrophobicContact CB-CD1 4.02Å; W293-I321 HydrophobicContact CG-CD1 3.85Å; V295-I321 HydrophobicContact CG2-CD1 3.81Å; M311-I321 HydrophobicContact CB-CD1 4.38Å; M311-I321 HydrophobicContact SD-CD1 3.9Å; N317-I321 PolarHBondContact OD1-N 2.94Å; L318-I321 PolarHBondContact O-N 3.2Å; C319-I321 PolarHBondContact O-N 3.5Å
322	A	98.3	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	3.3	176.9	0	0	0	0	0	114	G230 E232 L235 N317 G320	G230-A322 PolarHBondContact N-O 2.98Å; E232-A322 HydrophobicContact CG-CB 4.17Å; L235-A322 HydrophobicContact CB-CB 4.49Å; L235-A322 HydrophobicContact CD2-CB 4.18Å; N317-A322 WeakPolarHBondContact OD1-CB 3.04Å; N317-A322 PolarHBondContact OD1-N 2.71Å; G320-A322 PolarHBondContact O-N 2.91Å
323	N	97.5	Very high	97.2	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.043	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-42.6	-179.2	-80.4	-8.7	0	0	0	112.1	R102 K229 G230 K271 I274 N317 G320	R102-N323 PolarHBondContact NH1-O 2.81Å; R102-N323 VanDerWaalsContact NH1-O 3.14Å; R102-N323 PolarHBondContact NH2-O 3.3Å; K229-N323 HydrophobicContact CG-CB 4.21Å; G230-N323 WeakPolarHBondContact CA-OD1 3.35Å; G230-N323 PolarHBondContact N-OD1 2.8Å; K271-N323 PolarHBondContact O-ND2 3.35Å; I274-N323 HydrophobicContact CD1-CB 3.55Å; N317-N323 PolarHBondContact ND2-OD1 3.15Å; G320-N323 VanDerWaalsContact O-CB 3.25Å; G320-N323 WeakPolarHBondContact O-CB 3.42Å; G320-N323 PolarHBondContact O-N 2.87Å
324	L	97.2	Very high	97.1	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.068	14%	0.136	C	C	.	.	S	Bend	trans	-121	40.7	-172.5	-56.2	175.7	0	0	0	111.3	L94 V96 Y181 M182 I274	L94-L324 HydrophobicContact CD2-CD1 4.09Å; V96-L324 HydrophobicContact CG2-CD1 3.56Å; V96-L324 HydrophobicContact CG2-CD2 4.43Å; Y181-L324 HydrophobicContact CE2-CB 4.3Å; Y181-L324 HydrophobicContact CE2-CD1 4.14Å; Y181-L324 HydrophobicContact CE2-CD2 4.32Å; Y181-L324 HydrophobicContact CE2-CG 4.48Å; Y181-L324 WeakPolarHBondContact OH-CD2 3.39Å; M182-L324 WeakPolarHBondContact CE-O 3.48Å; I274-L324 HydrophobicContact CB-CD1 4.02Å; I274-L324 HydrophobicContact CD1-CD1 3.94Å; I274-L324 HydrophobicContact CD1-CG 4.05Å; I274-L324 HydrophobicContact CG2-CD1 3.59Å
325	A	98.4	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.			trans	-85.9	127.8	-177.5	0	0	0	0	0	111.4	V227 L235 V245 S246 V247	V227-A325 HydrophobicContact CB-CB 3.8Å; V227-A325 HydrophobicContact CG1-CB 4.47Å; V227-A325 HydrophobicContact CG2-CB 3.96Å; V227-A325 PolarHBondContact N-O 3.43Å; L235-A325 HydrophobicContact CD1-CB 3.99Å; V245-A325 HydrophobicContact CG1-CB 4.25Å; S246-A325 CarbonylContact O-C 3.28Å; S246-A325 VanDerWaalsContact O-CA 3.25Å; S246-A325 WeakPolarHBondContact O-CA 3.24Å; V247-A325 HydrophobicContact CG1-CB 3.86Å
326	S	98.3	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	159.1	-179.7	61.9	0	0	0	0	112.1	K225 V245 S246	K225-S326 CarbonylContact O-C 3.55Å; K225-S326 VanDerWaalsContact O-CA 3.26Å; K225-S326 WeakPolarHBondContact O-CA 3.39Å; K225-S326 WeakPolarHBondContact O-CB 3.38Å; V245-S326 VanDerWaalsContact CG1-O 3.32Å; V245-S326 WeakPolarHBondContact CG1-O 3.07Å; S246-S326 WeakPolarHBondContact CB-O 3.44Å; S246-S326 PolarHBondContact N-O 2.96Å; S246-S326 PolarHBondContact O-N 3.28Å
327	Y	98.2	Very high	97.1	Very high	21 Å²	21	11 Å²	11	8%	0.082	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.2	178.4	60.2	-97.8	0	0	0	111.7	M106 Y224 K225 V227 A238 V242 V245	M106-Y327 WeakPolarHBondContact CG-OH 3.36Å; M106-Y327 HydrophobicContact SD-CE1 4.01Å; Y224-Y327 CarbonylContact C-O 3.55Å; Y224-Y327 VanDerWaalsContact CA-O 3.27Å; Y224-Y327 WeakPolarHBondContact CA-O 3.41Å; Y224-Y327 WeakPolarHBondContact CB-O 3.46Å; K225-Y327 HydrophobicContact CB-CD2 4.36Å; K225-Y327 HydrophobicContact CB-CE1 3.97Å; K225-Y327 HydrophobicContact CB-CE2 3.72Å; K225-Y327 VanDerWaalsContact CB-CZ 3.49Å; K225-Y327 HydrophobicContact CG-CE2 4.08Å; K225-Y327 PolarHBondContact N-O 2.94Å; K225-Y327 PolarHBondContact O-N 2.54Å; V227-Y327 HydrophobicContact CG2-CD1 4.49Å; V227-Y327 HydrophobicContact CG2-CE1 4.46Å; A238-Y327 HydrophobicContact CB-CD1 4.23Å; A238-Y327 HydrophobicContact CB-CE1 3.97Å; V242-Y327 HydrophobicContact CB-CD2 4.45Å; V242-Y327 HydrophobicContact CB-CE2 4.38Å; V242-Y327 HydrophobicContact CG1-CD2 3.54Å; V242-Y327 HydrophobicContact CG1-CE2 3.76Å; V242-Y327 HydrophobicContact CG1-CG 3.96Å; V242-Y327 HydrophobicContact CG2-CD2 4.45Å; V242-Y327 HydrophobicContact CG2-CE1 4.24Å; V242-Y327 HydrophobicContact CG2-CE2 3.9Å; V245-Y327 HydrophobicContact CG2-CD1 4.45Å
328	P	97.3	Very high	97	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	156	176.1	31.3	-33.1	0	0	0	111.1	A147 L148 Q151 F186 G223	A147-P328 HydrophobicContact CB-CG 4.14Å; L148-P328 HydrophobicContact CB-CG 4.5Å; L148-P328 HydrophobicContact CD2-CB 3.54Å; L148-P328 HydrophobicContact CD2-CG 3.68Å; L148-P328 HydrophobicContact CG-CB 4.22Å; L148-P328 HydrophobicContact CG-CG 3.91Å; Q151-P328 HydrophobicContact CG-CG 3.97Å; Q151-P328 WeakPolarHBondContact CG-O 3.27Å; F186-P328 HydrophobicContact CD1-CB 3.77Å; F186-P328 HydrophobicContact CD1-CG 4.13Å; F186-P328 HydrophobicContact CE1-CB 4Å; F186-P328 HydrophobicContact CE1-CG 3.83Å; F186-P328 HydrophobicContact CG-CB 4.14Å; F186-P328 HydrophobicContact CZ-CG 4.27Å; G223-P328 CarbonylContact O-C 3.54Å
329	I	94.4	Very high	96.9	Very high	59 Å²	59	10.8 Å²	10.8	30%	0.303	5%	0.053	S	C	.	.			trans	-110.6	120.7	173.1	-57.9	168	0	0	0	107	K222 G223 K225	K222-I329 WeakPolarHBondContact CA-O 3.27Å; K222-I329 HydrophobicContact CB-CG2 4.49Å; K222-I329 WeakPolarHBondContact CB-O 3.41Å; K222-I329 PolarHBondContact N-O 3.02Å; G223-I329 PolarHBondContact O-N 3.19Å; K225-I329 HydrophobicContact CD-CD1 4.28Å; K225-I329 HydrophobicContact CG-CD1 3.67Å; K225-I329 HydrophobicContact CG-CG1 4.28Å
330	M	88	Confident	96.8	Very high	27 Å²	27	11.6 Å²	11.6	13%	0.133	6%	0.057	C	C	.	.			trans	-95.4	0	166.6	-60	-175.4	73.2	0	0	110.8	Q151 L152 K155 A219 Q220 K222	Q151-M330 HydrophobicContact CB-CB 4.45Å; Q151-M330 HydrophobicContact CB-CG 3.67Å; Q151-M330 HydrophobicContact CB-SD 3.36Å; Q151-M330 WeakPolarHBondContact CB-SD 3.45Å; Q151-M330 HydrophobicContact CG-CG 4.5Å; L152-M330 VanDerWaalsContact CA-SD 3.58Å; L152-M330 HydrophobicContact CB-CE 4.18Å; L152-M330 HydrophobicContact CB-SD 4.07Å; L152-M330 HydrophobicContact CD1-CE 3.66Å; L152-M330 PolarHBondContact N-SD 2.95Å; K155-M330 HydrophobicContact CD-CB 3.94Å; K155-M330 VanDerWaalsContact CE-C 3.5Å; K155-M330 VanDerWaalsContact CE-O 3.28Å; K155-M330 WeakPolarHBondContact CE-O 3.34Å; K155-M330 HydrophobicContact CG-CB 4.29Å; K155-M330 PolarHBondContact NZ-O 3.43Å; K155-M330 PolarHBondContact NZ-OXT 3.21Å; A219-M330 HydrophobicContact CB-CE 4.14Å; Q220-M330 WeakPolarHBondContact O-CE 3.47Å; Q220-M330 WeakPolarHBondContact O-CG 3.34Å; K222-M330 VanDerWaalsContact CE-OXT 3.25Å; K222-M330 WeakPolarHBondContact CE-OXT 3.4Å; K222-M330 PolarHBondContact NZ-OXT 3.25Å

Retrieved 330 of 330 residues in 694.8 ms (Link to these results)

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