A0A087YFZ3_POEFO Loading...

Short-chain specific acyl-CoA dehydrogenase, mitochondrial

Short-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Among the different mitochondrial acyl-CoA dehydrogenases, short-chain specific acyl-CoA dehydrogenase acts specifically on acyl-CoAs with saturated 4 to 6 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A087YFZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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	41.9	Very low	37	Very low	254 Å²	254	166.4 Å²	166.4	100%	1.251	86%	0.864	S	S	*	*				0	47.2	0	-88	171.7	127.9	0	0	111.4
2	S	43	Very low	36.8	Very low	118 Å²	118	160.3 Å²	160.3	83%	0.825	86%	0.856	S	S	*	*			trans	-120.8	95.5	176.4	56.9	0	0	0	0	107.4
3	A	39.8	Very low	37.1	Very low	90 Å²	90	158 Å²	158	74%	0.744	85%	0.851	S	S	*	*	S	Bend	trans	-170.5	-23.7	168.9	0	0	0	0	0	114.7
4	L	35.3	Very low	37.2	Very low	153 Å²	153	155.4 Å²	155.4	80%	0.801	85%	0.849	S	S	*	*	S	Bend	trans	-105.7	0.5	-160.3	-97.1	112.5	0	0	0	118.8
5	F	35.6	Very low	37.4	Very low	186 Å²	186	156.5 Å²	156.5	82%	0.816	85%	0.852	S	S	*	*	S	Bend	trans	-122.8	25.5	-179.5	-84.5	-84.7	0	0	0	115
6	K	35.9	Very low	37.6	Very low	205 Å²	205	158.2 Å²	158.2	89%	0.891	85%	0.852	S	S	*	*	S	Bend	trans	-96.3	7	168.4	-107.3	-176.9	179.9	-178.4	0	114.5
7	A	35.8	Very low	37.8	Very low	87 Å²	87	152.5 Å²	152.5	72%	0.719	84%	0.839	S	S	*	*			trans	-100	14.5	-174.3	0	0	0	0	0	115.3
8	R	32.9	Very low	38.2	Very low	230 Å²	230	150.8 Å²	150.8	87%	0.868	84%	0.84	S	S	*	*	S	Bend	trans	-101.1	12.2	-177.3	-106.7	-176.4	174.4	-174.1	-1.8	115.9
9	K	35.9	Very low	38.5	Very low	201 Å²	201	155.2 Å²	155.2	87%	0.874	84%	0.842	S	S	*	*	S	Bend	trans	-125.1	13.6	-176.1	-113.1	-177.3	-178.6	-176.4	0	116.8
10	V	38.2	Very low	39.1	Very low	131 Å²	131	151.2 Å²	151.2	79%	0.794	83%	0.826	S	S	*	*	S	Bend	trans	-120.9	6	-177.4	-174.9	0	0	0	0	113.9
11	L	32.7	Very low	39.7	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	83%	0.83	S	S	*	*	S	Bend	trans	-121.2	25.8	-175.8	-106.4	119.9	0	0	0	115.3
12	A	35	Very low	40.3	Very low	93 Å²	93	143 Å²	143	77%	0.769	79%	0.79	S	S	*	*	S	Bend	trans	-117.5	9.1	-179.5	0	0	0	0	0	114.9
13	V	39.7	Very low	41	Very low	131 Å²	131	146 Å²	146	79%	0.794	79%	0.791	S	S	*	*	S	Bend	trans	-126.4	95.8	176.6	-176.2	0	0	0	0	107.5
14	C	38.6	Very low	42.2	Very low	122 Å²	122	143.9 Å²	143.9	82%	0.824	77%	0.768	S	S	*	*	S	Bend	trans	167	38.9	155.9	-91.4	0	0	0	0	113
15	L	40	Very low	43.7	Very low	172 Å²	172	141 Å²	141	90%	0.901	77%	0.766	S	S	*	*			trans	-126.4	29.5	171.3	-75.3	169.3	0	0	0	112.8	G17	L15-G17 VanDerWaalsContact C-N 3.3Å
16	H	40.4	Very low	45.9	Very low	183 Å²	183	139.2 Å²	139.2	85%	0.847	76%	0.76	S	S	*	*			trans	-85.9	5.7	173.2	-76.5	102.1	0	0	0	114.3
17	G	41.7	Very low	48.5	Very low	61 Å²	61	130.2 Å²	130.2	63%	0.629	72%	0.721	S	S	*	*			trans	-92.9	101.5	170.5	0	0	0	0	0	110.6	L15 R19	L15-G17 VanDerWaalsContact C-N 3.3Å; G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.11Å
18	S	45.9	Very low	51.2	Low	122 Å²	122	129.3 Å²	129.3	85%	0.853	71%	0.708	S	S	*	*			trans	-64.5	97	160.7	63.6	0	0	0	0	107.3	S20	S18-S20 PolarHBondContact O-N 3.2Å
19	R	43.1	Very low	54.1	Low	235 Å²	235	126.4 Å²	126.4	89%	0.887	71%	0.705	S	S	*	*			trans	-65.6	103.1	170	-71.5	-174	179.1	-167.4	-0.1	106.4	G17 L21	G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.11Å; R19-L21 PolarHBondContact O-N 3.45Å
20	S	50.7	Low	56.9	Low	74 Å²	74	121 Å²	121	52%	0.517	69%	0.689	S	S	.	*			trans	-60.3	108.3	170.4	170.3	0	0	0	0	108	S18 S22	S18-S20 PolarHBondContact O-N 3.2Å; S20-S22 PolarHBondContact O-N 3.3Å
21	L	52.2	Low	59.7	Low	172 Å²	172	115.4 Å²	115.4	90%	0.901	65%	0.653	S	S	*	*			trans	-74.4	109.8	163.2	-76.6	162.5	0	0	0	106.6	R19	R19-L21 PolarHBondContact O-N 3.45Å
22	S	54.7	Low	62.7	Low	61 Å²	61	110.8 Å²	110.8	43%	0.427	63%	0.627	S	S	.	*			trans	-93.7	112.8	169	-51.1	0	0	0	0	107.3	S20	S20-S22 PolarHBondContact O-N 3.3Å
23	Q	56.8	Low	65.7	Low	181 Å²	181	112.1 Å²	112.1	85%	0.846	62%	0.621	S	S	*	*			trans	-100.2	107.9	172.9	-170.8	173.3	-9	0	0	108.3
24	L	64.4	Low	68.5	Low	47 Å²	47	107.3 Å²	107.3	25%	0.246	59%	0.591	C	S	.	*			trans	-120	79.1	172.5	-91.4	154.3	0	0	0	106.3	W322 L326	L24-W322 HydrophobicContact CD1-CB 3.94Å; L24-W322 HydrophobicContact CD1-CE3 4.23Å; L24-W322 HydrophobicContact CD2-CE3 3.96Å; L24-L326 HydrophobicContact CD1-CD1 3.77Å; L24-L326 HydrophobicContact CD2-CD1 4.03Å; L24-L326 HydrophobicContact CG-CD1 3.99Å
25	A	66.5	Low	71.3	Confident	92 Å²	92	105 Å²	105	76%	0.76	57%	0.565	S	S	*	*	S	Bend	trans	-84.2	-32.7	174.8	0	0	0	0	0	111.1
26	E	83.1	Confident	74	Confident	149 Å²	149	101.1 Å²	101.1	70%	0.696	54%	0.542	S	S	*	.	S	Bend	trans	-153.4	147.5	-175.5	-166	168.8	-171.6	0	0	110.7	Q32	E26-Q32 PolarHBondContact OE1-NE2 3.23Å
27	L	90	Very high	76.8	Confident	16 Å²	16	95.3 Å²	95.3	8%	0.084	52%	0.519	C	S	.	.			trans	-80.5	146.4	172.9	-72.3	172.9	0	0	0	110	H31 Q32 L89 L93 W322	L27-H31 HydrophobicContact CB-CB 4.29Å; L27-Q32 HydrophobicContact CB-CG 3.69Å; L27-Q32 PolarHBondContact O-NE2 2.87Å; L27-L89 HydrophobicContact CD2-CD2 3.97Å; L27-L93 HydrophobicContact CD1-CD1 4.02Å; L27-L93 HydrophobicContact CD1-CD2 4.06Å; L27-L93 HydrophobicContact CD2-CD1 4.18Å; L27-W322 HydrophobicContact CD1-CH2 3.91Å; L27-W322 HydrophobicContact CD1-CZ2 4.24Å; L27-W322 HydrophobicContact CD2-CE3 4.32Å; L27-W322 HydrophobicContact CD2-CH2 4.05Å; L27-W322 HydrophobicContact CD2-CZ2 4.44Å; L27-W322 HydrophobicContact CD2-CZ3 3.99Å; L27-W322 HydrophobicContact CG-CH2 4.03Å; L27-W322 HydrophobicContact CG-CZ3 4.21Å
28	P	92	Very high	79.5	Confident	68 Å²	68	92.4 Å²	92.4	44%	0.442	49%	0.489	S	S	.	.			trans	-56.5	150.3	168.7	-21	32.1	0	0	0	111.9	T30 H31 Q32	P28-T30 VanDerWaalsContact C-N 3.27Å; P28-T30 PolarHBondContact O-N 3.44Å; P28-H31 WeakPolarHBondContact O-CB 3.28Å; P28-H31 PolarHBondContact O-N 3.04Å; P28-Q32 PolarHBondContact O-N 3.4Å
29	E	94.2	Very high	82	Confident	169 Å²	169	90 Å²	90	79%	0.79	46%	0.461	S	S	*	.	H	α-helix	trans	-54.8	-40.2	-176.2	-67.7	-178.3	174.4	0	0	113.1	H31 Q32 L33	E29-H31 PolarHBondContact O-N 3.01Å; E29-Q32 PolarHBondContact O-N 3.21Å; E29-L33 WeakPolarHBondContact O-CB 3.43Å; E29-L33 PolarHBondContact O-N 2.94Å
30	T	95.8	Very high	84.7	Confident	88 Å²	88	82.4 Å²	82.4	54%	0.54	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-42.4	176.9	48.7	0	0	0	0	112.1	P28 L34	P28-T30 VanDerWaalsContact C-N 3.27Å; P28-T30 PolarHBondContact O-N 3.44Å; T30-L34 WeakPolarHBondContact O-CB 3.48Å; T30-L34 PolarHBondContact O-N 2.88Å
31	H	97.1	Very high	87	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.056	42%	0.416	C	S	.	.	H	α-helix	trans	-68.1	-37.7	175.3	-65.7	77.1	0	0	0	112.2	L27 P28 E29 R35 D87 L93	L27-H31 HydrophobicContact CB-CB 4.29Å; P28-H31 WeakPolarHBondContact O-CB 3.28Å; P28-H31 PolarHBondContact O-N 3.04Å; E29-H31 PolarHBondContact O-N 3.01Å; H31-R35 VanDerWaalsContact O-CB 3.3Å; H31-R35 WeakPolarHBondContact O-CB 3.45Å; H31-R35 PolarHBondContact O-N 3.13Å; H31-D87 IonicContact CD2-OD1 3.38Å; H31-D87 IonicContact CE1-OD1 3.62Å; H31-D87 IonicContact CE1-OD2 3.52Å; H31-D87 PolarHBondContact CE1-OD2 3.46Å; H31-D87 IonicContact NE2-OD1 3.27Å; H31-D87 PolarHBondContact NE2-OD1 3.28Å; H31-D87 IonicContact NE2-OD2 2.97Å; H31-D87 PolarHBondContact NE2-OD2 3.27Å; H31-L93 HydrophobicContact CB-CD1 3.82Å
32	Q	95	Very high	89.2	Confident	79 Å²	79	71.1 Å²	71.1	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-47.8	174.8	-65.6	-172.4	25.1	0	0	111.3	E26 L27 P28 E29 R35 Q36	E26-Q32 PolarHBondContact OE1-NE2 3.23Å; L27-Q32 HydrophobicContact CB-CG 3.69Å; L27-Q32 PolarHBondContact O-NE2 2.87Å; P28-Q32 PolarHBondContact O-N 3.4Å; E29-Q32 PolarHBondContact O-N 3.21Å; Q32-R35 PolarHBondContact O-N 2.73Å; Q32-Q36 PolarHBondContact O-N 3.43Å
33	L	97.6	Very high	91.3	Very high	121 Å²	121	71.7 Å²	71.7	63%	0.634	37%	0.371	S	S	*	.	H	α-helix	trans	-62.8	-43.9	178.8	179.4	62.1	0	0	0	111.9	E29 Q36 T37	E29-L33 WeakPolarHBondContact O-CB 3.43Å; E29-L33 PolarHBondContact O-N 2.94Å; L33-Q36 PolarHBondContact O-N 3.49Å; L33-T37 WeakPolarHBondContact O-CB 3.31Å; L33-T37 PolarHBondContact O-N 3.06Å; L33-T37 PolarHBondContact O-OG1 2.56Å
34	L	98	Very high	93.3	Very high	30 Å²	30	71.1 Å²	71.1	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-48.4	175	170.2	68.2	0	0	0	111.4	T30 Q36 T37 C38 M75 M86 A90	T30-L34 WeakPolarHBondContact O-CB 3.48Å; T30-L34 PolarHBondContact O-N 2.88Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.13Å; L34-T37 WeakPolarHBondContact O-CB 3.38Å; L34-T37 PolarHBondContact O-N 2.86Å; L34-C38 PolarHBondContact O-N 2.74Å; L34-C38 PolarHBondContact O-SG 2.79Å; L34-M75 HydrophobicContact CD1-CE 3.96Å; L34-M75 HydrophobicContact CD2-CE 3.52Å; L34-M75 HydrophobicContact CG-CE 4.3Å; L34-M86 HydrophobicContact CD2-CE 3.9Å; L34-A90 HydrophobicContact CD2-CB 3.39Å
35	R	97.8	Very high	94.9	Very high	74 Å²	74	70.7 Å²	70.7	28%	0.279	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-46.4	178	-178.3	-167.9	171.3	-160.7	5.2	110.8	H31 Q32 T37 C38 R39 E97	H31-R35 VanDerWaalsContact O-CB 3.3Å; H31-R35 WeakPolarHBondContact O-CB 3.45Å; H31-R35 PolarHBondContact O-N 3.13Å; Q32-R35 PolarHBondContact O-N 2.73Å; R35-T37 VanDerWaalsContact C-N 3.34Å; R35-T37 PolarHBondContact O-N 2.78Å; R35-C38 PolarHBondContact O-N 3.24Å; R35-R39 VanDerWaalsContact O-CB 3.32Å; R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 PolarHBondContact O-N 3.22Å; R35-E97 HydrophobicContact CG-CG 3.73Å; R35-E97 WeakPolarHBondContact CG-OE1 3.3Å; R35-E97 IonicContact CZ-OE1 3.6Å; R35-E97 IonicContact NE-OE1 2.72Å; R35-E97 PolarHBondContact NE-OE1 2.97Å; R35-E97 IonicContact NH2-OE1 2.74Å
36	Q	98.2	Very high	96.5	Very high	89 Å²	89	66.3 Å²	66.3	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-44	177.5	-174.5	58.6	46	0	0	111.4	Q32 L33 L34 C38 R39 D40	Q32-Q36 PolarHBondContact O-N 3.43Å; L33-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.13Å; Q36-C38 PolarHBondContact O-N 3.34Å; Q36-R39 WeakPolarHBondContact O-CB 3.45Å; Q36-R39 PolarHBondContact O-N 3.22Å; Q36-D40 VanDerWaalsContact NE2-CG 3.3Å; Q36-D40 PolarHBondContact NE2-OD1 2.81Å; Q36-D40 PolarHBondContact NE2-OD2 2.95Å; Q36-D40 VanDerWaalsContact O-CG 3.28Å; Q36-D40 PolarHBondContact O-N 3.4Å
37	T	98.6	Very high	97.2	Very high	62 Å²	62	61.4 Å²	61.4	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-44.3	177.8	-58.3	0	0	0	0	111.9	L33 L34 R35 F41 M70	L33-T37 WeakPolarHBondContact O-CB 3.31Å; L33-T37 PolarHBondContact O-N 3.06Å; L33-T37 PolarHBondContact O-OG1 2.56Å; L34-T37 WeakPolarHBondContact O-CB 3.38Å; L34-T37 PolarHBondContact O-N 2.86Å; R35-T37 VanDerWaalsContact C-N 3.34Å; R35-T37 PolarHBondContact O-N 2.78Å; T37-F41 WeakPolarHBondContact O-CB 3.26Å; T37-F41 PolarHBondContact O-N 2.92Å; T37-M70 HydrophobicContact CG2-CE 3.72Å
38	C	98.8	Very high	97.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-36.7	177.1	-64.5	0	0	0	0	112	L34 R35 Q36 F41 A42 E97 I98	L34-C38 PolarHBondContact O-N 2.74Å; L34-C38 PolarHBondContact O-SG 2.79Å; R35-C38 PolarHBondContact O-N 3.24Å; Q36-C38 PolarHBondContact O-N 3.34Å; C38-F41 PolarHBondContact O-N 3.42Å; C38-A42 WeakPolarHBondContact O-CB 3.47Å; C38-A42 PolarHBondContact O-N 3.19Å; C38-E97 HydrophobicContact CB-CB 3.83Å; C38-E97 HydrophobicContact CB-CG 4.5Å; C38-I98 HydrophobicContact CB-CD1 4.38Å
39	R	98.5	Very high	97.9	Very high	70 Å²	70	64 Å²	64	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-50.6	175	173.7	170.5	-68.3	-155.9	-4.3	111.5	R35 Q36 F41 A42 D43 E97 R100	R35-R39 VanDerWaalsContact O-CB 3.32Å; R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 PolarHBondContact O-N 3.22Å; Q36-R39 WeakPolarHBondContact O-CB 3.45Å; Q36-R39 PolarHBondContact O-N 3.22Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 2.79Å; R39-A42 PolarHBondContact O-N 2.87Å; R39-A42 VanDerWaalsContact O-N 3.14Å; R39-D43 PolarHBondContact O-N 3.31Å; R39-E97 HydrophobicContact CB-CG 4.35Å; R39-E97 WeakPolarHBondContact CB-OE2 3.48Å; R39-E97 IonicContact CZ-OE1 3.68Å; R39-E97 IonicContact CZ-OE2 2.82Å; R39-E97 IonicContact NE-OE1 3.96Å; R39-E97 PolarHBondContact NE-OE1 2.68Å; R39-E97 IonicContact NE-OE2 3.73Å; R39-E97 PolarHBondContact NE-OE2 2.93Å; R39-E97 IonicContact NH2-OE1 2.9Å; R39-E97 PolarHBondContact NH2-OE1 3.37Å; R39-E97 IonicContact NH2-OE2 3.4Å; R39-E97 PolarHBondContact NH2-OE2 3.47Å; R39-R100 PolarHBondContact O-NH2 3.45Å
40	D	98.7	Very high	98.1	Very high	77 Å²	77	56 Å²	56	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-39.7	179.9	-67.4	-24.4	0	0	0	111.3	Q36 R44	Q36-D40 VanDerWaalsContact NE2-CG 3.3Å; Q36-D40 PolarHBondContact NE2-OD1 2.81Å; Q36-D40 PolarHBondContact NE2-OD2 2.95Å; Q36-D40 VanDerWaalsContact O-CG 3.28Å; Q36-D40 PolarHBondContact O-N 3.4Å; D40-R44 VanDerWaalsContact O-CB 3.29Å; D40-R44 WeakPolarHBondContact O-CB 3.49Å; D40-R44 PolarHBondContact O-N 3.28Å
41	F	98.9	Very high	98.3	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-45.5	173.1	-177.1	-88.7	0	0	0	111.9	T37 C38 R39 D43 R44 E45 L46 Q63 E66 L67 M70 I98	T37-F41 WeakPolarHBondContact O-CB 3.26Å; T37-F41 PolarHBondContact O-N 2.92Å; C38-F41 PolarHBondContact O-N 3.42Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 2.79Å; F41-D43 VanDerWaalsContact C-N 3.34Å; F41-D43 PolarHBondContact O-N 3.03Å; F41-R44 PolarHBondContact O-N 3.11Å; F41-E45 HydrophobicContact CD1-CB 4.39Å; F41-E45 HydrophobicContact CD2-CB 4.23Å; F41-E45 HydrophobicContact CD2-CG 3.8Å; F41-E45 HydrophobicContact CE1-CB 4.05Å; F41-E45 HydrophobicContact CE2-CB 3.89Å; F41-E45 HydrophobicContact CE2-CG 3.62Å; F41-E45 HydrophobicContact CG-CB 4.47Å; F41-E45 HydrophobicContact CG-CG 4.4Å; F41-E45 HydrophobicContact CZ-CB 3.79Å; F41-E45 HydrophobicContact CZ-CG 4.07Å; F41-E45 WeakPolarHBondContact O-CB 3.33Å; F41-E45 PolarHBondContact O-N 2.79Å; F41-L46 HydrophobicContact CD1-CD1 4.28Å; F41-L46 HydrophobicContact CD1-CG 4.19Å; F41-L46 HydrophobicContact CE1-CD1 4.21Å; F41-L46 HydrophobicContact CE1-CD2 3.93Å; F41-L46 HydrophobicContact CE1-CG 3.94Å; F41-Q63 HydrophobicContact CZ-CB 4.4Å; F41-E66 HydrophobicContact CE2-CB 3.81Å; F41-E66 HydrophobicContact CZ-CB 3.94Å; F41-L67 HydrophobicContact CD1-CD2 3.67Å; F41-L67 HydrophobicContact CD1-CG 4.26Å; F41-L67 HydrophobicContact CE1-CD1 4.04Å; F41-L67 HydrophobicContact CE1-CD2 3.51Å; F41-L67 HydrophobicContact CE1-CG 3.57Å; F41-L67 HydrophobicContact CG-CD2 4.35Å; F41-L67 HydrophobicContact CZ-CD2 4.09Å; F41-L67 HydrophobicContact CZ-CG 3.87Å; F41-M70 HydrophobicContact CB-CE 4.03Å; F41-M70 HydrophobicContact CB-SD 4.41Å; F41-M70 HydrophobicContact CD2-CE 4.2Å; F41-M70 HydrophobicContact CD2-SD 3.47Å; F41-M70 WeakPolarHBondContact CD2-SD 3.38Å; F41-M70 HydrophobicContact CE2-SD 3.86Å; F41-M70 HydrophobicContact CG-CE 4.19Å; F41-M70 HydrophobicContact CG-SD 3.96Å; F41-I98 HydrophobicContact CD1-CD1 3.89Å
42	A	98.8	Very high	98.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-61.8	-41.8	178.7	0	0	0	0	0	112.1	C38 R39 L46 A47 E97	C38-A42 WeakPolarHBondContact O-CB 3.47Å; C38-A42 PolarHBondContact O-N 3.19Å; R39-A42 PolarHBondContact O-N 2.87Å; R39-A42 VanDerWaalsContact O-N 3.14Å; A42-L46 HydrophobicContact CB-CD1 4.23Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.27Å; A42-A47 PolarHBondContact O-N 3.49Å; A42-E97 WeakPolarHBondContact CB-O 3.48Å
43	D	98.4	Very high	98.5	Very high	73 Å²	73	54 Å²	54	39%	0.39	28%	0.28	S	S	.	.	I	π-helix	trans	-68.5	-37.2	178.5	-71.4	-29.9	0	0	0	112.5	R39 F41 P48 R100	R39-D43 PolarHBondContact O-N 3.31Å; F41-D43 VanDerWaalsContact C-N 3.34Å; F41-D43 PolarHBondContact O-N 3.03Å; D43-P48 WeakPolarHBondContact O-CD 3.36Å; D43-R100 IonicContact OD1-CZ 3.21Å; D43-R100 IonicContact OD1-NH1 2.75Å; D43-R100 PolarHBondContact OD1-NH1 3.12Å; D43-R100 IonicContact OD1-NH2 2.73Å; D43-R100 PolarHBondContact OD1-NH2 3.46Å; D43-R100 IonicContact OD2-CZ 3.49Å; D43-R100 IonicContact OD2-NH1 3.18Å; D43-R100 IonicContact OD2-NH2 3.84Å; D43-R100 PolarHBondContact OD2-NH2 2.91Å; D43-R100 VanDerWaalsContact OD2-NH2 3.14Å
44	R	98.6	Very high	98.6	Very high	169 Å²	169	48.8 Å²	48.8	64%	0.638	25%	0.253	S	S	*	.	I	π-helix	trans	-85.7	-44	-176.2	-167.9	177.3	71.2	-148.2	-4.3	113.7	D40 F41	D40-R44 VanDerWaalsContact O-CB 3.29Å; D40-R44 WeakPolarHBondContact O-CB 3.49Å; D40-R44 PolarHBondContact O-N 3.28Å; F41-R44 PolarHBondContact O-N 3.11Å
45	E	98.8	Very high	98.6	Very high	38 Å²	38	55 Å²	55	18%	0.178	28%	0.279	C	S	.	.	I	π-helix	trans	-108.5	-19.2	-167.2	-56.4	-59.5	152.7	0	0	113.8	F41 I49 K62	F41-E45 HydrophobicContact CD1-CB 4.39Å; F41-E45 HydrophobicContact CD2-CB 4.23Å; F41-E45 HydrophobicContact CD2-CG 3.8Å; F41-E45 HydrophobicContact CE1-CB 4.05Å; F41-E45 HydrophobicContact CE2-CB 3.89Å; F41-E45 HydrophobicContact CE2-CG 3.62Å; F41-E45 HydrophobicContact CG-CB 4.47Å; F41-E45 HydrophobicContact CG-CG 4.4Å; F41-E45 HydrophobicContact CZ-CB 3.79Å; F41-E45 HydrophobicContact CZ-CG 4.07Å; F41-E45 WeakPolarHBondContact O-CB 3.33Å; F41-E45 PolarHBondContact O-N 2.79Å; E45-I49 VanDerWaalsContact O-CD1 3.29Å; E45-I49 WeakPolarHBondContact O-CD1 3.43Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; E45-K62 IonicContact OE2-NZ 2.71Å
46	L	98.8	Very high	98.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-109	-57.4	-176	-55.2	-176.2	0	0	0	112.9	F41 A42 P48 I49 A50 Q63 I98 C102 T105	F41-L46 HydrophobicContact CD1-CD1 4.28Å; F41-L46 HydrophobicContact CD1-CG 4.19Å; F41-L46 HydrophobicContact CE1-CD1 4.21Å; F41-L46 HydrophobicContact CE1-CD2 3.93Å; F41-L46 HydrophobicContact CE1-CG 3.94Å; A42-L46 HydrophobicContact CB-CD1 4.23Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.27Å; L46-P48 VanDerWaalsContact C-CD 3.44Å; L46-P48 VanDerWaalsContact C-N 3.34Å; L46-I49 VanDerWaalsContact O-CG1 3.28Å; L46-I49 WeakPolarHBondContact O-CG1 3.43Å; L46-I49 PolarHBondContact O-N 3.47Å; L46-I49 VanDerWaalsContact O-N 3.08Å; L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 3.08Å; L46-Q63 HydrophobicContact CD2-CB 3.73Å; L46-Q63 HydrophobicContact CD2-CG 3.62Å; L46-I98 HydrophobicContact CD1-CB 4.36Å; L46-I98 HydrophobicContact CD1-CD1 4Å; L46-I98 HydrophobicContact CD1-CG2 3.72Å; L46-C102 HydrophobicContact CB-CB 4.22Å; L46-T105 HydrophobicContact CD1-CG2 4.15Å; L46-T105 HydrophobicContact CD2-CG2 4.06Å
47	A	98.4	Very high	98.7	Very high	46 Å²	46	56.3 Å²	56.3	38%	0.38	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.2	-174.3	0	0	0	0	0	113.2	A42 I49	A42-A47 PolarHBondContact O-N 3.49Å; A47-I49 VanDerWaalsContact C-N 3.27Å; A47-I49 PolarHBondContact O-N 2.91Å
48	P	98.5	Very high	98.7	Very high	94 Å²	94	56.3 Å²	56.3	61%	0.61	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.3	-179.8	-24.2	36.8	0	0	0	114.5	D43 L46	D43-P48 WeakPolarHBondContact O-CD 3.36Å; L46-P48 VanDerWaalsContact C-CD 3.44Å; L46-P48 VanDerWaalsContact C-N 3.34Å
49	I	98.8	Very high	98.6	Very high	43 Å²	43	58.1 Å²	58.1	22%	0.221	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-12.7	-175.4	65.2	169	0	0	0	113.5	E45 L46 A47 A51 M52 L53 Q63	E45-I49 VanDerWaalsContact O-CD1 3.29Å; E45-I49 WeakPolarHBondContact O-CD1 3.43Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; L46-I49 VanDerWaalsContact O-CG1 3.28Å; L46-I49 WeakPolarHBondContact O-CG1 3.43Å; L46-I49 PolarHBondContact O-N 3.47Å; L46-I49 VanDerWaalsContact O-N 3.08Å; A47-I49 VanDerWaalsContact C-N 3.27Å; A47-I49 PolarHBondContact O-N 2.91Å; I49-A51 PolarHBondContact O-N 3.15Å; I49-A51 VanDerWaalsContact O-N 3.14Å; I49-M52 HydrophobicContact CB-CE 4.39Å; I49-M52 WeakPolarHBondContact O-CB 3.3Å; I49-M52 PolarHBondContact O-N 2.9Å; I49-L53 HydrophobicContact CD1-CD1 3.81Å; I49-L53 HydrophobicContact CD1-CG 4.3Å; I49-L53 HydrophobicContact CG1-CD1 3.89Å; I49-L53 HydrophobicContact CG1-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CG 3.38Å; I49-L53 PolarHBondContact O-N 3.11Å; I49-Q63 VanDerWaalsContact CD1-CD 3.43Å; I49-Q63 HydrophobicContact CD1-CG 3.96Å
50	A	98.8	Very high	98.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-30.2	-171.3	0	0	0	0	0	113.8	L46 D54 G101 C102 R373	L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 3.08Å; A50-D54 WeakPolarHBondContact O-CB 3.24Å; A50-D54 PolarHBondContact O-N 2.85Å; A50-D54 VanDerWaalsContact O-N 3.1Å; A50-G101 WeakPolarHBondContact CB-O 3.47Å; A50-C102 HydrophobicContact CB-CB 3.96Å; A50-R373 PolarHBondContact O-NH1 2.98Å
51	A	98.6	Very high	98.6	Very high	59 Å²	59	54 Å²	54	49%	0.488	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-39.3	175.3	0	0	0	0	0	112.4	I49 K55 R373	I49-A51 PolarHBondContact O-N 3.15Å; I49-A51 VanDerWaalsContact O-N 3.14Å; A51-K55 WeakPolarHBondContact O-CB 3.17Å; A51-K55 PolarHBondContact O-N 3.14Å; A51-R373 VanDerWaalsContact N-NH1 3.14Å
52	M	98.7	Very high	98.6	Very high	75 Å²	75	59.3 Å²	59.3	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-47.9	174.3	174.6	-80.9	-72.4	0	0	110.5	I49 D54 K55 E56	I49-M52 HydrophobicContact CB-CE 4.39Å; I49-M52 WeakPolarHBondContact O-CB 3.3Å; I49-M52 PolarHBondContact O-N 2.9Å; M52-D54 VanDerWaalsContact C-N 3.29Å; M52-D54 PolarHBondContact O-N 2.85Å; M52-K55 PolarHBondContact O-N 2.92Å; M52-K55 VanDerWaalsContact O-N 3.14Å; M52-E56 HydrophobicContact CG-CG 4.36Å; M52-E56 WeakPolarHBondContact O-CB 3.31Å; M52-E56 PolarHBondContact O-N 2.82Å; M52-E56 HydrophobicContact SD-CG 4.45Å
53	L	98.8	Very high	98.6	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-43.6	179.3	-64.5	175.5	0	0	0	111.9	I49 H57 V58 P60 A228	I49-L53 HydrophobicContact CD1-CD1 3.81Å; I49-L53 HydrophobicContact CD1-CG 4.3Å; I49-L53 HydrophobicContact CG1-CD1 3.89Å; I49-L53 HydrophobicContact CG1-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CG 3.38Å; I49-L53 PolarHBondContact O-N 3.11Å; L53-H57 WeakPolarHBondContact O-CA 3.35Å; L53-H57 PolarHBondContact O-N 3.48Å; L53-V58 HydrophobicContact CD2-CB 4.3Å; L53-V58 HydrophobicContact CD2-CG1 4.35Å; L53-V58 PolarHBondContact O-N 2.76Å; L53-V58 VanDerWaalsContact O-N 3.17Å; L53-P60 HydrophobicContact CD1-CB 3.79Å; L53-P60 HydrophobicContact CD1-CG 4.42Å; L53-P60 HydrophobicContact CD2-CB 4.22Å; L53-A228 HydrophobicContact CB-CB 3.8Å
54	D	98.9	Very high	98.6	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-47.4	175.7	174.2	80.9	0	0	0	112.1	A50 M52 E56 H57 R227 R373 R376	A50-D54 WeakPolarHBondContact O-CB 3.24Å; A50-D54 PolarHBondContact O-N 2.85Å; A50-D54 VanDerWaalsContact O-N 3.1Å; M52-D54 VanDerWaalsContact C-N 3.29Å; M52-D54 PolarHBondContact O-N 2.85Å; D54-E56 PolarHBondContact O-N 2.86Å; D54-H57 PolarHBondContact O-CD2 3.08Å; D54-R227 PolarHBondContact O-NE 3.47Å; D54-R227 PolarHBondContact O-NH1 3.09Å; D54-R227 PolarHBondContact O-NH2 2.81Å; D54-R227 WeakPolarHBondContact OD1-CD 3.35Å; D54-R227 IonicContact OD1-NH1 3.39Å; D54-R227 IonicContact OD2-CZ 3.48Å; D54-R227 IonicContact OD2-NH1 3.61Å; D54-R227 PolarHBondContact OD2-NH1 3.45Å; D54-R373 HydrophobicContact CB-CG 4.26Å; D54-R376 IonicContact OD1-CZ 3.33Å; D54-R376 IonicContact OD1-NH1 3.21Å; D54-R376 PolarHBondContact OD1-NH1 2.92Å; D54-R376 IonicContact OD1-NH2 3.49Å; D54-R376 PolarHBondContact OD1-NH2 2.89Å; D54-R376 IonicContact OD2-CZ 2.64Å; D54-R376 IonicContact OD2-NH1 3.25Å; D54-R376 PolarHBondContact OD2-NH1 3.45Å; D54-R376 IonicContact OD2-NH2 3.36Å; D54-R376 PolarHBondContact OD2-NH2 3.35Å
55	K	98.6	Very high	98.6	Very high	161 Å²	161	52 Å²	52	70%	0.7	28%	0.279	S	S	*	.	H	α-helix	trans	-64.6	-40	-177.8	-174.3	176.7	-178.8	179	0	112.7	A51 M52 R227	A51-K55 WeakPolarHBondContact O-CB 3.17Å; A51-K55 PolarHBondContact O-N 3.14Å; M52-K55 PolarHBondContact O-N 2.92Å; M52-K55 VanDerWaalsContact O-N 3.14Å; K55-R227 PolarHBondContact O-NH2 3.36Å
56	E	98.6	Very high	98.6	Very high	124 Å²	124	53 Å²	53	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-94.2	-6.5	-175.6	-61.2	-175.6	-173.4	0	0	113.3	M52 D54 V58	M52-E56 HydrophobicContact CG-CG 4.36Å; M52-E56 WeakPolarHBondContact O-CB 3.31Å; M52-E56 PolarHBondContact O-N 2.82Å; M52-E56 HydrophobicContact SD-CG 4.45Å; D54-E56 PolarHBondContact O-N 2.86Å; E56-V58 HydrophobicContact CB-CB 4.47Å; E56-V58 HydrophobicContact CB-CG2 3.61Å; E56-V58 PolarHBondContact O-N 2.91Å
57	H	98.6	Very high	98.6	Very high	65 Å²	65	53 Å²	53	30%	0.301	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	37.4	-177.4	-56.1	-160.6	0	0	0	112.2	L53 D54 D222 R227	L53-H57 WeakPolarHBondContact O-CA 3.35Å; L53-H57 PolarHBondContact O-N 3.48Å; D54-H57 PolarHBondContact O-CD2 3.08Å; H57-D222 IonicContact CE1-OD1 2.82Å; H57-D222 PolarHBondContact CE1-OD1 2.93Å; H57-R227 PolarHBondContact CD2-NE 2.85Å; H57-R227 VanDerWaalsContact CD2-NE 3.35Å; H57-R227 PolarHBondContact CD2-NH2 3.44Å; H57-R227 VanDerWaalsContact CD2-NH2 3.32Å; H57-R227 PolarHBondContact NE2-NE 2.94Å; H57-R227 PolarHBondContact NE2-NH2 2.85Å
58	V	98.3	Very high	98.6	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.376	27%	0.269	S	S	.	.			trans	-96.3	130.8	-172.5	174.1	0	0	0	0	110.6	L53 E56 A228	L53-V58 HydrophobicContact CD2-CB 4.3Å; L53-V58 HydrophobicContact CD2-CG1 4.35Å; L53-V58 PolarHBondContact O-N 2.76Å; L53-V58 VanDerWaalsContact O-N 3.17Å; E56-V58 HydrophobicContact CB-CB 4.47Å; E56-V58 HydrophobicContact CB-CG2 3.61Å; E56-V58 PolarHBondContact O-N 2.91Å; V58-A228 VanDerWaalsContact O-CB 3.23Å; V58-A228 WeakPolarHBondContact O-CB 3.34Å
59	Y	98.6	Very high	98.6	Very high	39 Å²	39	51.9 Å²	51.9	15%	0.153	27%	0.271	C	S	.	.			trans	-69.3	129.3	173.9	176.6	-103.1	0	0	0	110.8	A61 I64 V108 D184 A228	Y59-A61 HydrophobicContact CD1-CB 3.81Å; Y59-A61 HydrophobicContact CE1-CB 3.92Å; Y59-A61 PolarHBondContact O-N 2.8Å; Y59-I64 HydrophobicContact CE1-CG1 4.41Å; Y59-I64 HydrophobicContact CE2-CG1 4.32Å; Y59-I64 WeakPolarHBondContact OH-CG2 3.32Å; Y59-V108 HydrophobicContact CD2-CG2 4.32Å; Y59-V108 HydrophobicContact CE2-CB 4.45Å; Y59-V108 HydrophobicContact CE2-CG1 3.78Å; Y59-V108 HydrophobicContact CE2-CG2 3.78Å; Y59-D184 WeakPolarHBondContact CB-OD1 3.11Å; Y59-D184 HydrophobicContact CD1-CB 4.23Å; Y59-D184 HydrophobicContact CD2-CB 4.02Å; Y59-D184 VanDerWaalsContact CD2-CG 3.48Å; Y59-D184 WeakPolarHBondContact CD2-OD2 3.48Å; Y59-D184 HydrophobicContact CE1-CB 4.09Å; Y59-D184 HydrophobicContact CE2-CB 3.85Å; Y59-D184 HydrophobicContact CG-CB 4.19Å; Y59-A228 WeakPolarHBondContact CA-O 3.41Å
60	P	98.4	Very high	98.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.013	28%	0.278	C	S	.	.			trans	-81.2	61.2	-175	33.5	-36.1	0	0	0	112.7	L53 K62 Q63 I64 T105	L53-P60 HydrophobicContact CD1-CB 3.79Å; L53-P60 HydrophobicContact CD1-CG 4.42Å; L53-P60 HydrophobicContact CD2-CB 4.22Å; P60-K62 VanDerWaalsContact C-N 3.31Å; P60-K62 PolarHBondContact O-N 3.14Å; P60-Q63 HydrophobicContact CB-CB 4.24Å; P60-Q63 PolarHBondContact O-N 2.88Å; P60-Q63 VanDerWaalsContact O-N 3.1Å; P60-Q63 PolarHBondContact O-OE1 2.77Å; P60-I64 HydrophobicContact CG-CG1 4.33Å; P60-I64 WeakPolarHBondContact O-CG1 3.46Å; P60-I64 PolarHBondContact O-N 2.87Å; P60-T105 WeakPolarHBondContact CG-OG1 3.21Å
61	A	98.5	Very high	98.5	Very high	58 Å²	58	54 Å²	54	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-54.7	-42.7	-173.1	0	0	0	0	0	113.5	Y59 Q63 I64 K65	Y59-A61 HydrophobicContact CD1-CB 3.81Å; Y59-A61 HydrophobicContact CE1-CB 3.92Å; Y59-A61 PolarHBondContact O-N 2.8Å; A61-Q63 PolarHBondContact O-N 3.37Å; A61-I64 PolarHBondContact O-N 2.86Å; A61-K65 PolarHBondContact O-N 3.38Å
62	K	98.5	Very high	98.5	Very high	120 Å²	120	51.3 Å²	51.3	52%	0.522	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-50.3	177.7	-179.2	-168.7	167.2	-156.2	0	110.7	E45 P60 I64 K65 E66	E45-K62 IonicContact OE2-NZ 2.71Å; P60-K62 VanDerWaalsContact C-N 3.31Å; P60-K62 PolarHBondContact O-N 3.14Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.38Å; K62-K65 PolarHBondContact O-N 2.99Å; K62-E66 WeakPolarHBondContact CE-OE1 3.29Å; K62-E66 IonicContact NZ-OE1 2.79Å; K62-E66 WeakPolarHBondContact O-CG 3.27Å; K62-E66 PolarHBondContact O-N 3.43Å
63	Q	98.8	Very high	98.5	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-36.2	-176.7	-66	68.3	30.8	0	0	111.4	F41 L46 I49 P60 A61 K65 E66 L67	F41-Q63 HydrophobicContact CZ-CB 4.4Å; L46-Q63 HydrophobicContact CD2-CB 3.73Å; L46-Q63 HydrophobicContact CD2-CG 3.62Å; I49-Q63 VanDerWaalsContact CD1-CD 3.43Å; I49-Q63 HydrophobicContact CD1-CG 3.96Å; P60-Q63 HydrophobicContact CB-CB 4.24Å; P60-Q63 PolarHBondContact O-N 2.88Å; P60-Q63 VanDerWaalsContact O-N 3.1Å; P60-Q63 PolarHBondContact O-OE1 2.77Å; A61-Q63 PolarHBondContact O-N 3.37Å; Q63-K65 VanDerWaalsContact C-N 3.34Å; Q63-E66 PolarHBondContact O-N 2.86Å; Q63-L67 WeakPolarHBondContact O-CB 3.38Å; Q63-L67 VanDerWaalsContact O-CG 3.25Å; Q63-L67 WeakPolarHBondContact O-CG 3.32Å; Q63-L67 PolarHBondContact O-N 3.1Å
64	I	98.8	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-40.1	174.5	-64.7	-62	0	0	0	111.4	Y59 P60 A61 K62 L67 G68 M73 T105 V108 V109 V142	Y59-I64 HydrophobicContact CE1-CG1 4.41Å; Y59-I64 HydrophobicContact CE2-CG1 4.32Å; Y59-I64 WeakPolarHBondContact OH-CG2 3.32Å; P60-I64 HydrophobicContact CG-CG1 4.33Å; P60-I64 WeakPolarHBondContact O-CG1 3.46Å; P60-I64 PolarHBondContact O-N 2.87Å; A61-I64 PolarHBondContact O-N 2.86Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.38Å; I64-L67 HydrophobicContact CD1-CD1 4.39Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-G68 PolarHBondContact O-N 2.93Å; I64-M73 HydrophobicContact CD1-SD 4.4Å; I64-M73 HydrophobicContact CG2-CE 3.91Å; I64-M73 HydrophobicContact CG2-SD 4.16Å; I64-T105 HydrophobicContact CD1-CG2 3.86Å; I64-V108 HydrophobicContact CD1-CB 3.89Å; I64-V108 HydrophobicContact CD1-CG1 3.48Å; I64-V108 VanDerWaalsContact CD1-CG1 3.48Å; I64-V108 HydrophobicContact CG1-CG1 4.01Å; I64-V109 HydrophobicContact CD1-CG2 4.38Å; I64-V142 HydrophobicContact CG2-CG1 3.92Å
65	K	98.7	Very high	98.5	Very high	72 Å²	72	47.2 Å²	47.2	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-41.5	175.3	179.4	59.5	-172.4	169.7	0	112.4	A61 K62 Q63 G68 T69 A138 D140	A61-K65 PolarHBondContact O-N 3.38Å; K62-K65 PolarHBondContact O-N 2.99Å; Q63-K65 VanDerWaalsContact C-N 3.34Å; K65-G68 PolarHBondContact O-N 2.96Å; K65-T69 PolarHBondContact O-N 3.41Å; K65-T69 PolarHBondContact O-OG1 3.3Å; K65-T69 VanDerWaalsContact O-OG1 3.05Å; K65-A138 PolarHBondContact NZ-O 3.27Å; K65-A138 VanDerWaalsContact NZ-O 3.12Å; K65-D140 WeakPolarHBondContact CD-OD1 3.37Å; K65-D140 WeakPolarHBondContact CE-OD1 3.35Å; K65-D140 IonicContact NZ-OD1 2.89Å; K65-D140 PolarHBondContact NZ-OD1 2.83Å; K65-D140 IonicContact NZ-OD2 3.2Å; K65-D140 PolarHBondContact NZ-OD2 3.19Å
66	E	98.8	Very high	98.4	Very high	59 Å²	59	42.4 Å²	42.4	28%	0.276	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-45.9	175.8	-71	172.3	166.6	0	0	111.4	F41 K62 Q63 G68 T69 M70	F41-E66 HydrophobicContact CE2-CB 3.81Å; F41-E66 HydrophobicContact CZ-CB 3.94Å; K62-E66 WeakPolarHBondContact CE-OE1 3.29Å; K62-E66 IonicContact NZ-OE1 2.79Å; K62-E66 WeakPolarHBondContact O-CG 3.27Å; K62-E66 PolarHBondContact O-N 3.43Å; Q63-E66 PolarHBondContact O-N 2.86Å; E66-G68 VanDerWaalsContact C-N 3.26Å; E66-G68 PolarHBondContact O-N 3.02Å; E66-T69 WeakPolarHBondContact O-CB 3.29Å; E66-T69 PolarHBondContact O-N 2.78Å; E66-M70 WeakPolarHBondContact O-CG 3.44Å; E66-M70 PolarHBondContact O-N 3.38Å
67	L	98.8	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-36.3	174.1	-74	169.7	0	0	0	112.6	F41 Q63 I64 T69 M70 G71 V72 M73 I98 T105 V109	F41-L67 HydrophobicContact CD1-CD2 3.67Å; F41-L67 HydrophobicContact CD1-CG 4.26Å; F41-L67 HydrophobicContact CE1-CD1 4.04Å; F41-L67 HydrophobicContact CE1-CD2 3.51Å; F41-L67 HydrophobicContact CE1-CG 3.57Å; F41-L67 HydrophobicContact CG-CD2 4.35Å; F41-L67 HydrophobicContact CZ-CD2 4.09Å; F41-L67 HydrophobicContact CZ-CG 3.87Å; Q63-L67 WeakPolarHBondContact O-CB 3.38Å; Q63-L67 VanDerWaalsContact O-CG 3.25Å; Q63-L67 WeakPolarHBondContact O-CG 3.32Å; Q63-L67 PolarHBondContact O-N 3.1Å; I64-L67 HydrophobicContact CD1-CD1 4.39Å; I64-L67 PolarHBondContact O-N 3.39Å; L67-T69 VanDerWaalsContact C-N 3.35Å; L67-M70 HydrophobicContact CD2-SD 4.39Å; L67-M70 PolarHBondContact O-N 3.27Å; L67-G71 PolarHBondContact O-N 3.38Å; L67-V72 HydrophobicContact CB-CB 4.25Å; L67-V72 HydrophobicContact CD2-CB 4.1Å; L67-V72 HydrophobicContact CD2-CG1 4.11Å; L67-V72 HydrophobicContact CD2-CG2 4.17Å; L67-V72 WeakPolarHBondContact O-CB 3.48Å; L67-V72 PolarHBondContact O-N 3.49Å; L67-M73 HydrophobicContact CB-CG 4.36Å; L67-M73 HydrophobicContact CB-SD 4.45Å; L67-I98 HydrophobicContact CD1-CD1 4.48Å; L67-I98 HydrophobicContact CD1-CG2 4.41Å; L67-I98 HydrophobicContact CD2-CD1 3.59Å; L67-I98 HydrophobicContact CD2-CG1 4.17Å; L67-T105 HydrophobicContact CD1-CG2 3.71Å; L67-V109 HydrophobicContact CD1-CG2 3.88Å
68	G	98.4	Very high	98.3	Very high	6 Å²	6	35.3 Å²	35.3	6%	0.062	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-40.7	172.6	0	0	0	0	0	112.9	I64 K65 E66 M70 G71 A138	I64-G68 PolarHBondContact O-N 2.93Å; K65-G68 PolarHBondContact O-N 2.96Å; E66-G68 VanDerWaalsContact C-N 3.26Å; E66-G68 PolarHBondContact O-N 3.02Å; G68-M70 VanDerWaalsContact C-N 3.26Å; G68-M70 PolarHBondContact O-N 2.89Å; G68-G71 PolarHBondContact O-N 3.44Å; G68-A138 VanDerWaalsContact CA-C 3.49Å
69	T	97.4	Very high	98.3	Very high	109 Å²	109	39.6 Å²	39.6	67%	0.669	21%	0.21	S	C	*	.	H	α-helix	trans	-67.9	-28.5	176.6	-54.9	0	0	0	0	111.8	K65 E66 L67 G71	K65-T69 PolarHBondContact O-N 3.41Å; K65-T69 PolarHBondContact O-OG1 3.3Å; K65-T69 VanDerWaalsContact O-OG1 3.05Å; E66-T69 WeakPolarHBondContact O-CB 3.29Å; E66-T69 PolarHBondContact O-N 2.78Å; L67-T69 VanDerWaalsContact C-N 3.35Å; T69-G71 VanDerWaalsContact C-N 3.26Å; T69-G71 PolarHBondContact O-N 2.88Å
70	M	97.9	Very high	98.2	Very high	72 Å²	72	45.4 Å²	45.4	36%	0.355	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.2	172.3	-64	169.2	61	0	0	113.7	T37 F41 E66 L67 G68 V72	T37-M70 HydrophobicContact CG2-CE 3.72Å; F41-M70 HydrophobicContact CB-CE 4.03Å; F41-M70 HydrophobicContact CB-SD 4.41Å; F41-M70 HydrophobicContact CD2-CE 4.2Å; F41-M70 HydrophobicContact CD2-SD 3.47Å; F41-M70 WeakPolarHBondContact CD2-SD 3.38Å; F41-M70 HydrophobicContact CE2-SD 3.86Å; F41-M70 HydrophobicContact CG-CE 4.19Å; F41-M70 HydrophobicContact CG-SD 3.96Å; E66-M70 WeakPolarHBondContact O-CG 3.44Å; E66-M70 PolarHBondContact O-N 3.38Å; L67-M70 HydrophobicContact CD2-SD 4.39Å; L67-M70 PolarHBondContact O-N 3.27Å; G68-M70 VanDerWaalsContact C-N 3.26Å; G68-M70 PolarHBondContact O-N 2.89Å; M70-V72 VanDerWaalsContact C-N 3.3Å; M70-V72 HydrophobicContact CB-CG2 4.06Å; M70-V72 PolarHBondContact O-N 2.95Å
71	G	98.1	Very high	98.2	Very high	18 Å²	18	45.9 Å²	45.9	19%	0.186	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	2.9	-177.2	0	0	0	0	0	115.2	L67 G68 T69 M73 A74	L67-G71 PolarHBondContact O-N 3.38Å; G68-G71 PolarHBondContact O-N 3.44Å; T69-G71 VanDerWaalsContact C-N 3.26Å; T69-G71 PolarHBondContact O-N 2.88Å; G71-M73 VanDerWaalsContact C-N 3.27Å; G71-M73 PolarHBondContact O-N 3.22Å; G71-A74 PolarHBondContact O-N 3.07Å
72	V	98.6	Very high	98.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.5	-175.3	177.6	0	0	0	0	112.4	L67 M70 A74 M75 A94 V109 N113	L67-V72 HydrophobicContact CB-CB 4.25Å; L67-V72 HydrophobicContact CD2-CB 4.1Å; L67-V72 HydrophobicContact CD2-CG1 4.11Å; L67-V72 HydrophobicContact CD2-CG2 4.17Å; L67-V72 WeakPolarHBondContact O-CB 3.48Å; L67-V72 PolarHBondContact O-N 3.49Å; M70-V72 VanDerWaalsContact C-N 3.3Å; M70-V72 HydrophobicContact CB-CG2 4.06Å; M70-V72 PolarHBondContact O-N 2.95Å; V72-A74 VanDerWaalsContact C-N 3.3Å; V72-A74 PolarHBondContact O-N 2.95Å; V72-M75 HydrophobicContact CG1-SD 4.27Å; V72-M75 WeakPolarHBondContact O-CG 3.43Å; V72-A94 HydrophobicContact CG1-CB 4.2Å; V72-V109 HydrophobicContact CG1-CG1 3.81Å; V72-N113 PolarHBondContact O-ND2 2.95Å
73	M	98.6	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.2	179.6	-65.1	-57.7	-65.7	0	0	114.1	I64 L67 G71 V108 V109 N112 N113 V142	I64-M73 HydrophobicContact CD1-SD 4.4Å; I64-M73 HydrophobicContact CG2-CE 3.91Å; I64-M73 HydrophobicContact CG2-SD 4.16Å; L67-M73 HydrophobicContact CB-CG 4.36Å; L67-M73 HydrophobicContact CB-SD 4.45Å; G71-M73 VanDerWaalsContact C-N 3.27Å; G71-M73 PolarHBondContact O-N 3.22Å; M73-V108 HydrophobicContact CE-CG1 4.49Å; M73-V109 HydrophobicContact SD-CB 4.22Å; M73-V109 HydrophobicContact SD-CG1 4.41Å; M73-V109 HydrophobicContact SD-CG2 3.68Å; M73-N112 HydrophobicContact CE-CB 3.62Å; M73-N112 PolarHBondContact O-ND2 3.19Å; M73-N113 PolarHBondContact O-ND2 3.22Å; M73-V142 HydrophobicContact CE-CG1 3.62Å
74	A	98.4	Very high	98.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	23%	0.232	C	C	.	.	S	Bend	trans	-154.5	64.9	-178.4	0	0	0	0	0	111.9	G71 V72 V77 G83 A84 N113 I117 T137	G71-A74 PolarHBondContact O-N 3.07Å; V72-A74 VanDerWaalsContact C-N 3.3Å; V72-A74 PolarHBondContact O-N 2.95Å; A74-V77 HydrophobicContact CB-CB 4.04Å; A74-V77 HydrophobicContact CB-CG2 3.8Å; A74-V77 PolarHBondContact O-N 3.36Å; A74-G83 WeakPolarHBondContact O-CA 3.41Å; A74-A84 PolarHBondContact O-N 3.18Å; A74-N113 WeakPolarHBondContact CA-OD1 3.38Å; A74-N113 PolarHBondContact N-OD1 3.44Å; A74-I117 HydrophobicContact CB-CD1 3.85Å; A74-T137 HydrophobicContact CB-CG2 3.52Å
75	M	98.2	Very high	98	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	-72.7	-47.2	-165.9	-61.9	-167.4	66.7	0	0	113.7	L34 V72 V77 G85 M86 A90 Y91 A94 N113	L34-M75 HydrophobicContact CD1-CE 3.96Å; L34-M75 HydrophobicContact CD2-CE 3.52Å; L34-M75 HydrophobicContact CG-CE 4.3Å; V72-M75 HydrophobicContact CG1-SD 4.27Å; V72-M75 WeakPolarHBondContact O-CG 3.43Å; M75-V77 PolarHBondContact O-N 3.01Å; M75-G85 PolarHBondContact O-N 2.89Å; M75-M86 WeakPolarHBondContact O-CA 3.14Å; M75-M86 WeakPolarHBondContact O-CB 3.21Å; M75-M86 PolarHBondContact O-N 3.38Å; M75-A90 HydrophobicContact CE-CB 4.16Å; M75-A90 WeakPolarHBondContact CE-O 3.14Å; M75-Y91 VanDerWaalsContact SD-CA 3.58Å; M75-Y91 HydrophobicContact SD-CD2 4.48Å; M75-A94 HydrophobicContact CE-CB 3.79Å; M75-A94 HydrophobicContact SD-CB 3.45Å; M75-A94 WeakPolarHBondContact SD-CB 3.37Å; M75-N113 PolarHBondContact N-OD1 2.98Å
76	E	96.8	Very high	97.9	Very high	60 Å²	60	42.7 Å²	42.7	28%	0.28	25%	0.254	S	S	.	.	S	Bend	trans	-80.9	-7.3	179.3	-161.5	-163.5	-172	0	0	113	M86 Y88 R328	E76-M86 WeakPolarHBondContact CA-O 3.45Å; E76-Y88 HydrophobicContact CB-CD2 4.3Å; E76-Y88 HydrophobicContact CB-CE2 4.34Å; E76-Y88 HydrophobicContact CG-CD2 4.31Å; E76-Y88 WeakPolarHBondContact OE2-CE2 3.31Å; E76-R328 IonicContact OE1-CZ 3.77Å; E76-R328 IonicContact OE1-NH1 3.36Å; E76-R328 PolarHBondContact OE1-NH1 2.98Å; E76-R328 IonicContact OE1-NH2 3.81Å; E76-R328 PolarHBondContact OE1-NH2 2.83Å; E76-R328 IonicContact OE2-CZ 2.83Å; E76-R328 IonicContact OE2-NH1 2.69Å; E76-R328 PolarHBondContact OE2-NH1 3.44Å; E76-R328 IonicContact OE2-NH2 2.68Å; E76-R328 PolarHBondContact OE2-NH2 3.02Å
77	V	98.4	Very high	97.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	25%	0.253	C	S	.	.	S	Bend	trans	-69.8	131.7	-177	176	0	0	0	0	108.8	A74 M75 L81 G83 A84 G85 I117 I133 T137	A74-V77 HydrophobicContact CB-CB 4.04Å; A74-V77 HydrophobicContact CB-CG2 3.8Å; A74-V77 PolarHBondContact O-N 3.36Å; M75-V77 PolarHBondContact O-N 3.01Å; V77-L81 HydrophobicContact CG1-CB 3.61Å; V77-L81 HydrophobicContact CG1-CD1 4.48Å; V77-G83 CarbonylContact O-C 3.49Å; V77-G83 VanDerWaalsContact O-C 3.27Å; V77-G83 VanDerWaalsContact O-CA 3.24Å; V77-G83 WeakPolarHBondContact O-CA 3.5Å; V77-A84 PolarHBondContact O-N 3.46Å; V77-G85 WeakPolarHBondContact O-CA 3.36Å; V77-G85 PolarHBondContact O-N 3.18Å; V77-I117 HydrophobicContact CG2-CD1 4.31Å; V77-I117 HydrophobicContact CG2-CG2 3.36Å; V77-I133 HydrophobicContact CB-CG2 4.49Å; V77-I133 HydrophobicContact CG1-CG2 3.66Å; V77-I133 HydrophobicContact CG2-CG2 3.93Å; V77-T137 HydrophobicContact CG1-CG2 4.25Å
78	P	97.9	Very high	97.9	Very high	38 Å²	38	42.3 Å²	42.3	25%	0.247	25%	0.253	C	S	.	.			trans	-58.5	150.8	175.4	-25.2	34.4	0	0	0	112.9	E80 L81 G82 G83	P78-E80 HydrophobicContact CB-CG 4.2Å; P78-E80 WeakPolarHBondContact CB-OE1 3.24Å; P78-E80 WeakPolarHBondContact CB-OE2 3.35Å; P78-E80 PolarHBondContact O-N 3.43Å; P78-L81 PolarHBondContact O-N 2.95Å; P78-G82 PolarHBondContact O-N 3.06Å; P78-G83 PolarHBondContact O-N 3.39Å; P78-G83 VanDerWaalsContact O-N 3.16Å
79	E	97.6	Very high	97.9	Very high	152 Å²	152	42.2 Å²	42.2	71%	0.71	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.9	-34.1	-179.4	-66.1	-176.7	177.5	0	0	112.1	L81 G82	E79-L81 PolarHBondContact O-N 3.41Å; E79-L81 VanDerWaalsContact O-N 3.13Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.25Å
80	E	97.3	Very high	97.9	Very high	160 Å²	160	37 Å²	37	75%	0.748	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-64.2	-18	177.7	66.7	-90	-162.6	0	0	114.1	P78	P78-E80 HydrophobicContact CB-CG 4.2Å; P78-E80 WeakPolarHBondContact CB-OE1 3.24Å; P78-E80 WeakPolarHBondContact CB-OE2 3.35Å; P78-E80 PolarHBondContact O-N 3.43Å
81	L	98.1	Very high	98	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.063	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-101.9	5	173.2	-66.9	176.4	0	0	0	112.3	V77 P78 E79 L121 K129 K130 I133 S134	V77-L81 HydrophobicContact CG1-CB 3.61Å; V77-L81 HydrophobicContact CG1-CD1 4.48Å; P78-L81 PolarHBondContact O-N 2.95Å; E79-L81 PolarHBondContact O-N 3.41Å; E79-L81 VanDerWaalsContact O-N 3.13Å; L81-L121 HydrophobicContact CD1-CD1 4.01Å; L81-K129 HydrophobicContact CD1-CB 4.02Å; L81-K129 HydrophobicContact CD1-CD 4.42Å; L81-K129 HydrophobicContact CD2-CB 4.2Å; L81-K130 HydrophobicContact CD2-CG 4.16Å; L81-I133 HydrophobicContact CB-CG2 4.49Å; L81-I133 HydrophobicContact CD1-CD1 4.19Å; L81-S134 WeakPolarHBondContact O-CA 3.17Å; L81-S134 WeakPolarHBondContact O-CB 3.45Å; L81-S134 PolarHBondContact O-OG 2.99Å
82	G	97.1	Very high	98	Very high	45 Å²	45	32.8 Å²	32.8	46%	0.464	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	20.7	179.1	0	0	0	0	0	114.4	P78 E79 T137	P78-G82 PolarHBondContact O-N 3.06Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.25Å; G82-T137 WeakPolarHBondContact O-CB 3.07Å; G82-T137 PolarHBondContact O-OG1 3.29Å
83	G	97.6	Very high	98	Very high	15 Å²	15	32.7 Å²	32.7	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-93.9	-176.7	176	0	0	0	0	0	114.4	A74 V77 P78	A74-G83 WeakPolarHBondContact O-CA 3.41Å; V77-G83 CarbonylContact O-C 3.49Å; V77-G83 VanDerWaalsContact O-C 3.27Å; V77-G83 VanDerWaalsContact O-CA 3.24Å; V77-G83 WeakPolarHBondContact O-CA 3.5Å; P78-G83 PolarHBondContact O-N 3.39Å; P78-G83 VanDerWaalsContact O-N 3.16Å
84	A	97.6	Very high	98	Very high	35 Å²	35	32.7 Å²	32.7	29%	0.289	19%	0.194	S	C	.	.			trans	-89.1	-8.5	-178	0	0	0	0	0	114.7	A74 V77 M86	A74-A84 PolarHBondContact O-N 3.18Å; V77-A84 PolarHBondContact O-N 3.46Å; A84-M86 HydrophobicContact CB-CG 4.09Å; A84-M86 PolarHBondContact O-N 3.2Å
85	G	97.6	Very high	98	Very high	46 Å²	46	32.7 Å²	32.7	47%	0.474	19%	0.193	S	C	.	.			trans	63.2	20.5	178.8	0	0	0	0	0	115.3	M75 V77	M75-G85 PolarHBondContact O-N 2.89Å; V77-G85 WeakPolarHBondContact O-CA 3.36Å; V77-G85 PolarHBondContact O-N 3.18Å
86	M	97.8	Very high	98.1	Very high	60 Å²	60	32.7 Å²	32.7	30%	0.296	19%	0.193	S	C	.	.			trans	-89.8	-174.7	-179.1	-62.3	-67.9	-79.7	0	0	111.4	L34 M75 E76 A84 A90	L34-M86 HydrophobicContact CD2-CE 3.9Å; M75-M86 WeakPolarHBondContact O-CA 3.14Å; M75-M86 WeakPolarHBondContact O-CB 3.21Å; M75-M86 PolarHBondContact O-N 3.38Å; E76-M86 WeakPolarHBondContact CA-O 3.45Å; A84-M86 HydrophobicContact CB-CG 4.09Å; A84-M86 PolarHBondContact O-N 3.2Å; M86-A90 HydrophobicContact CB-CB 3.87Å; M86-A90 HydrophobicContact CE-CB 3.81Å
87	D	97.9	Very high	98.2	Very high	48 Å²	48	30 Å²	30	26%	0.257	18%	0.18	S	C	.	.			trans	-111.1	178.2	-178.6	63.4	24.7	0	0	0	112.8	H31 L89 A90 Y91	H31-D87 IonicContact CD2-OD1 3.38Å; H31-D87 IonicContact CE1-OD1 3.62Å; H31-D87 IonicContact CE1-OD2 3.52Å; H31-D87 PolarHBondContact CE1-OD2 3.46Å; H31-D87 IonicContact NE2-OD1 3.27Å; H31-D87 PolarHBondContact NE2-OD1 3.28Å; H31-D87 IonicContact NE2-OD2 2.97Å; H31-D87 PolarHBondContact NE2-OD2 3.27Å; D87-L89 VanDerWaalsContact C-N 3.33Å; D87-L89 PolarHBondContact OD1-N 2.87Å; D87-A90 WeakPolarHBondContact O-CB 3.45Å; D87-A90 PolarHBondContact O-N 3.36Å; D87-A90 VanDerWaalsContact OD1-CB 3.24Å; D87-A90 WeakPolarHBondContact OD1-CB 3.26Å; D87-A90 PolarHBondContact OD1-N 3.39Å; D87-Y91 PolarHBondContact O-N 2.91Å
88	Y	98	Very high	98.2	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-74.1	-23.9	-179.3	-115.2	-123.9	0	0	0	113.7	E76 Y91 S92 S114 S263 I266 R328 D329	E76-Y88 HydrophobicContact CB-CD2 4.3Å; E76-Y88 HydrophobicContact CB-CE2 4.34Å; E76-Y88 HydrophobicContact CG-CD2 4.31Å; E76-Y88 WeakPolarHBondContact OE2-CE2 3.31Å; Y88-Y91 AromaticContact CD1-CD1 3.63Å; Y88-Y91 HydrophobicContact CD1-CD1 3.63Å; Y88-Y91 HydrophobicContact CD1-CE1 4.03Å; Y88-Y91 HydrophobicContact CD2-CD1 4.08Å; Y88-Y91 AromaticContact CE1-CD1 3.68Å; Y88-Y91 HydrophobicContact CE1-CD1 3.68Å; Y88-Y91 AromaticContact CE1-CE1 3.66Å; Y88-Y91 HydrophobicContact CE1-CE1 3.66Å; Y88-Y91 HydrophobicContact CE2-CD1 4.1Å; Y88-Y91 AromaticContact CG-CD1 3.89Å; Y88-Y91 HydrophobicContact CG-CD1 3.89Å; Y88-Y91 AromaticContact CZ-CD1 3.94Å; Y88-Y91 AromaticContact CZ-CE1 3.97Å; Y88-Y91 PolarHBondContact O-N 3.44Å; Y88-S92 WeakPolarHBondContact O-CB 3.47Å; Y88-S92 PolarHBondContact O-N 2.89Å; Y88-S92 PolarHBondContact O-OG 3.03Å; Y88-S114 WeakPolarHBondContact OH-CB 3.39Å; Y88-S263 WeakPolarHBondContact OH-CB 3.15Å; Y88-I266 HydrophobicContact CD1-CD1 4.13Å; Y88-I266 HydrophobicContact CD1-CG2 4.38Å; Y88-R328 VanDerWaalsContact CE1-NE 3.3Å; Y88-R328 VanDerWaalsContact CE2-NH1 3.26Å; Y88-R328 VanDerWaalsContact CZ-NH2 3.29Å; Y88-R328 PolarHBondContact OH-NH2 2.93Å; Y88-D329 VanDerWaalsContact CB-OD1 3.29Å; Y88-D329 WeakPolarHBondContact CB-OD1 3.45Å; Y88-D329 PolarHBondContact N-OD1 3.4Å; Y88-D329 PolarHBondContact N-OD2 3.35Å
89	L	98.2	Very high	98.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-49.7	169.8	-180	61.2	0	0	0	110.2	L27 D87 Y91 S92 L93 W322 L326 D329	L27-L89 HydrophobicContact CD2-CD2 3.97Å; D87-L89 VanDerWaalsContact C-N 3.33Å; D87-L89 PolarHBondContact OD1-N 2.87Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.24Å; L89-S92 PolarHBondContact O-N 3.26Å; L89-S92 VanDerWaalsContact O-N 3.14Å; L89-S92 PolarHBondContact O-OG 2.8Å; L89-L93 HydrophobicContact CG-CD1 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 2.81Å; L89-W322 HydrophobicContact CD1-CB 3.96Å; L89-W322 HydrophobicContact CD1-CD2 4.26Å; L89-W322 HydrophobicContact CD1-CG 3.77Å; L89-L326 HydrophobicContact CD2-CD2 3.96Å; L89-D329 PolarHBondContact N-OD2 2.95Å; L89-D329 VanDerWaalsContact N-OD2 3.12Å
90	A	98.6	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.9	-46.2	174.1	0	0	0	0	0	112	L34 M75 M86 D87 S92 L93 A94	L34-A90 HydrophobicContact CD2-CB 3.39Å; M75-A90 HydrophobicContact CE-CB 4.16Å; M75-A90 WeakPolarHBondContact CE-O 3.14Å; M86-A90 HydrophobicContact CB-CB 3.87Å; M86-A90 HydrophobicContact CE-CB 3.81Å; D87-A90 WeakPolarHBondContact O-CB 3.45Å; D87-A90 PolarHBondContact O-N 3.36Å; D87-A90 VanDerWaalsContact OD1-CB 3.24Å; D87-A90 WeakPolarHBondContact OD1-CB 3.26Å; D87-A90 PolarHBondContact OD1-N 3.39Å; A90-S92 PolarHBondContact O-N 2.9Å; A90-L93 PolarHBondContact O-N 3.03Å; A90-A94 PolarHBondContact O-N 2.83Å
91	Y	98.8	Very high	98.4	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-56	-48.7	172.7	161.2	-110.2	0	0	0	112.9	M75 D87 Y88 L89 L93 A94 V95 S110 N113 G267	M75-Y91 VanDerWaalsContact SD-CA 3.58Å; M75-Y91 HydrophobicContact SD-CD2 4.48Å; D87-Y91 PolarHBondContact O-N 2.91Å; Y88-Y91 AromaticContact CD1-CD1 3.63Å; Y88-Y91 HydrophobicContact CD1-CD1 3.63Å; Y88-Y91 HydrophobicContact CD1-CE1 4.03Å; Y88-Y91 HydrophobicContact CD2-CD1 4.08Å; Y88-Y91 AromaticContact CE1-CD1 3.68Å; Y88-Y91 HydrophobicContact CE1-CD1 3.68Å; Y88-Y91 AromaticContact CE1-CE1 3.66Å; Y88-Y91 HydrophobicContact CE1-CE1 3.66Å; Y88-Y91 HydrophobicContact CE2-CD1 4.1Å; Y88-Y91 AromaticContact CG-CD1 3.89Å; Y88-Y91 HydrophobicContact CG-CD1 3.89Å; Y88-Y91 AromaticContact CZ-CD1 3.94Å; Y88-Y91 AromaticContact CZ-CE1 3.97Å; Y88-Y91 PolarHBondContact O-N 3.44Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.24Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.22Å; Y91-A94 PolarHBondContact O-N 3.15Å; Y91-V95 HydrophobicContact CD2-CG2 3.79Å; Y91-V95 HydrophobicContact CE2-CG2 3.35Å; Y91-V95 WeakPolarHBondContact O-CG2 3.32Å; Y91-V95 PolarHBondContact O-N 3.34Å; Y91-S110 PolarHBondContact OH-OG 3.28Å; Y91-N113 HydrophobicContact CD2-CB 3.9Å; Y91-N113 HydrophobicContact CE2-CB 3.52Å; Y91-G267 WeakPolarHBondContact OH-CA 3.46Å
92	S	98.8	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-38.2	-179.9	65.9	0	0	0	0	112.5	Y88 L89 A90 E96 A270 S325	Y88-S92 WeakPolarHBondContact O-CB 3.47Å; Y88-S92 PolarHBondContact O-N 2.89Å; Y88-S92 PolarHBondContact O-OG 3.03Å; L89-S92 PolarHBondContact O-N 3.26Å; L89-S92 VanDerWaalsContact O-N 3.14Å; L89-S92 PolarHBondContact O-OG 2.8Å; A90-S92 PolarHBondContact O-N 2.9Å; S92-E96 WeakPolarHBondContact O-CB 3.4Å; S92-E96 PolarHBondContact O-N 3.16Å; S92-A270 VanDerWaalsContact O-CB 3.26Å; S92-A270 WeakPolarHBondContact O-CB 3.45Å; S92-S325 PolarHBondContact OG-OG 3.44Å
93	L	98.7	Very high	98.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-43.9	175.8	-68.7	169.1	0	0	0	111.8	L27 H31 L89 A90 Y91 E96 E97 W322	L27-L93 HydrophobicContact CD1-CD1 4.02Å; L27-L93 HydrophobicContact CD1-CD2 4.06Å; L27-L93 HydrophobicContact CD2-CD1 4.18Å; H31-L93 HydrophobicContact CB-CD1 3.82Å; L89-L93 HydrophobicContact CG-CD1 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 2.81Å; A90-L93 PolarHBondContact O-N 3.03Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.22Å; L93-E96 PolarHBondContact O-N 2.81Å; L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.41Å; L93-E97 VanDerWaalsContact O-N 3.07Å; L93-W322 HydrophobicContact CD2-CZ2 3.56Å
94	A	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.7	-48.9	177.8	0	0	0	0	0	111.1	V72 M75 A90 Y91 E96 E97 I98	V72-A94 HydrophobicContact CG1-CB 4.2Å; M75-A94 HydrophobicContact CE-CB 3.79Å; M75-A94 HydrophobicContact SD-CB 3.45Å; M75-A94 WeakPolarHBondContact SD-CB 3.37Å; A90-A94 PolarHBondContact O-N 2.83Å; Y91-A94 PolarHBondContact O-N 3.15Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.97Å; A94-E97 PolarHBondContact O-N 3.28Å; A94-I98 WeakPolarHBondContact O-CB 3.48Å; A94-I98 VanDerWaalsContact O-CG1 3.23Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.13Å
95	V	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.3	-39.2	178.3	174.7	0	0	0	0	111.5	Y91 S99 V109 G267 A270 Q271	Y91-V95 HydrophobicContact CD2-CG2 3.79Å; Y91-V95 HydrophobicContact CE2-CG2 3.35Å; Y91-V95 WeakPolarHBondContact O-CG2 3.32Å; Y91-V95 PolarHBondContact O-N 3.34Å; V95-S99 WeakPolarHBondContact O-CB 3.36Å; V95-S99 PolarHBondContact O-N 2.82Å; V95-S99 PolarHBondContact O-OG 3.06Å; V95-V109 HydrophobicContact CG2-CG1 4.13Å; V95-G267 WeakPolarHBondContact CG1-O 3.44Å; V95-A270 HydrophobicContact CB-CB 3.92Å; V95-A270 HydrophobicContact CG1-CB 3.89Å; V95-Q271 HydrophobicContact CG1-CB 4.06Å
96	E	98.9	Very high	98.7	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	4%	0.041	C	C	.	.	H	α-helix	trans	-59.6	-53.1	175.8	-177.2	178	160.3	0	0	111.7	S92 L93 A94 I98 S99 R100 A270 L273 G274 R318	S92-E96 WeakPolarHBondContact O-CB 3.4Å; S92-E96 PolarHBondContact O-N 3.16Å; L93-E96 PolarHBondContact O-N 2.81Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.97Å; E96-I98 PolarHBondContact O-N 2.82Å; E96-S99 PolarHBondContact O-N 2.84Å; E96-R100 PolarHBondContact O-N 2.72Å; E96-A270 WeakPolarHBondContact CA-O 3.29Å; E96-A270 HydrophobicContact CB-CB 4.37Å; E96-L273 HydrophobicContact CG-CB 3.9Å; E96-G274 VanDerWaalsContact O-CA 3.27Å; E96-G274 WeakPolarHBondContact O-CA 3.39Å; E96-R318 IonicContact OE1-CZ 3.95Å; E96-R318 IonicContact OE1-NE 3.14Å; E96-R318 PolarHBondContact OE1-NE 3.35Å; E96-R318 IonicContact OE1-NH2 2.73Å; E96-R318 PolarHBondContact OE1-NH2 3.4Å; E96-R318 IonicContact OE2-NE 3.95Å
97	E	98.9	Very high	98.8	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.009	3%	0.027	C	C	.	.	H	α-helix	trans	-67.7	-37.8	-177.7	-64.6	-67.1	166.6	0	0	112.3	R35 C38 R39 A42 L93 A94 R100	R35-E97 HydrophobicContact CG-CG 3.73Å; R35-E97 WeakPolarHBondContact CG-OE1 3.3Å; R35-E97 IonicContact CZ-OE1 3.6Å; R35-E97 IonicContact NE-OE1 2.72Å; R35-E97 PolarHBondContact NE-OE1 2.97Å; R35-E97 IonicContact NH2-OE1 2.74Å; C38-E97 HydrophobicContact CB-CB 3.83Å; C38-E97 HydrophobicContact CB-CG 4.5Å; R39-E97 HydrophobicContact CB-CG 4.35Å; R39-E97 WeakPolarHBondContact CB-OE2 3.48Å; R39-E97 IonicContact CZ-OE1 3.68Å; R39-E97 IonicContact CZ-OE2 2.82Å; R39-E97 IonicContact NE-OE1 3.96Å; R39-E97 PolarHBondContact NE-OE1 2.68Å; R39-E97 IonicContact NE-OE2 3.73Å; R39-E97 PolarHBondContact NE-OE2 2.93Å; R39-E97 IonicContact NH2-OE1 2.9Å; R39-E97 PolarHBondContact NH2-OE1 3.37Å; R39-E97 IonicContact NH2-OE2 3.4Å; R39-E97 PolarHBondContact NH2-OE2 3.47Å; A42-E97 WeakPolarHBondContact CB-O 3.48Å; L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.41Å; L93-E97 VanDerWaalsContact O-N 3.07Å; A94-E97 PolarHBondContact O-N 3.28Å; E97-R100 WeakPolarHBondContact O-CB 3.14Å; E97-R100 PolarHBondContact O-N 3.3Å; E97-R100 IonicContact OE2-NE 2.73Å; E97-R100 PolarHBondContact OE2-NE 3.35Å
98	I	98.9	Very high	98.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-64.5	-41.4	174.3	-65.9	-48.8	0	0	0	111.3	C38 F41 L46 L67 A94 E96 R100 G101 C102 T105 V109	C38-I98 HydrophobicContact CB-CD1 4.38Å; F41-I98 HydrophobicContact CD1-CD1 3.89Å; L46-I98 HydrophobicContact CD1-CB 4.36Å; L46-I98 HydrophobicContact CD1-CD1 4Å; L46-I98 HydrophobicContact CD1-CG2 3.72Å; L67-I98 HydrophobicContact CD1-CD1 4.48Å; L67-I98 HydrophobicContact CD1-CG2 4.41Å; L67-I98 HydrophobicContact CD2-CD1 3.59Å; L67-I98 HydrophobicContact CD2-CG1 4.17Å; A94-I98 WeakPolarHBondContact O-CB 3.48Å; A94-I98 VanDerWaalsContact O-CG1 3.23Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.13Å; E96-I98 PolarHBondContact O-N 2.82Å; I98-R100 VanDerWaalsContact C-N 3.29Å; I98-R100 PolarHBondContact O-N 2.98Å; I98-G101 PolarHBondContact O-N 3.35Å; I98-G101 VanDerWaalsContact O-N 3.15Å; I98-C102 PolarHBondContact O-N 2.91Å; I98-T105 HydrophobicContact CG2-CG2 3.79Å; I98-V109 HydrophobicContact CG2-CG2 4.34Å
99	S	98.9	Very high	98.8	Very high	3 Å²	3	2.9 Å²	2.9	2%	0.021	1%	0.014	C	C	.	.	H	α-helix	trans	-70.7	-26	-179.4	-56.9	0	0	0	0	112.8	V95 E96 G101 A103 G106 Q271	V95-S99 WeakPolarHBondContact O-CB 3.36Å; V95-S99 PolarHBondContact O-N 2.82Å; V95-S99 PolarHBondContact O-OG 3.06Å; E96-S99 PolarHBondContact O-N 2.84Å; S99-G101 VanDerWaalsContact C-N 3.28Å; S99-G101 PolarHBondContact O-N 3.04Å; S99-A103 PolarHBondContact O-N 3.26Å; S99-G106 WeakPolarHBondContact OG-CA 3.44Å; S99-Q271 WeakPolarHBondContact CB-O 3.35Å; S99-Q271 WeakPolarHBondContact OG-CA 3.44Å; S99-Q271 WeakPolarHBondContact OG-CB 3.42Å; S99-Q271 VanDerWaalsContact OG-CG 3.27Å; S99-Q271 WeakPolarHBondContact OG-CG 3.38Å
100	R	98.9	Very high	98.9	Very high	33 Å²	33	2.7 Å²	2.7	13%	0.125	1%	0.013	C	C	.	.	H	α-helix	trans	-60.7	-38.3	169.9	-170.5	-175.9	61.1	73.7	8.6	111.5	R39 D43 E96 E97 I98 G274 A278	R39-R100 PolarHBondContact O-NH2 3.45Å; D43-R100 IonicContact OD1-CZ 3.21Å; D43-R100 IonicContact OD1-NH1 2.75Å; D43-R100 PolarHBondContact OD1-NH1 3.12Å; D43-R100 IonicContact OD1-NH2 2.73Å; D43-R100 PolarHBondContact OD1-NH2 3.46Å; D43-R100 IonicContact OD2-CZ 3.49Å; D43-R100 IonicContact OD2-NH1 3.18Å; D43-R100 IonicContact OD2-NH2 3.84Å; D43-R100 PolarHBondContact OD2-NH2 2.91Å; D43-R100 VanDerWaalsContact OD2-NH2 3.14Å; E96-R100 PolarHBondContact O-N 2.72Å; E97-R100 WeakPolarHBondContact O-CB 3.14Å; E97-R100 PolarHBondContact O-N 3.3Å; E97-R100 IonicContact OE2-NE 2.73Å; E97-R100 PolarHBondContact OE2-NE 3.35Å; I98-R100 VanDerWaalsContact C-N 3.29Å; I98-R100 PolarHBondContact O-N 2.98Å; R100-G274 WeakPolarHBondContact CA-O 3.28Å; R100-A278 HydrophobicContact CG-CB 3.94Å; R100-A278 WeakPolarHBondContact O-CB 3.37Å
101	G	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-76	-51.3	173.6	0	0	0	0	0	113.1	A50 I98 S99	A50-G101 WeakPolarHBondContact CB-O 3.47Å; I98-G101 PolarHBondContact O-N 3.35Å; I98-G101 VanDerWaalsContact O-N 3.15Å; S99-G101 VanDerWaalsContact C-N 3.28Å; S99-G101 PolarHBondContact O-N 3.04Å
102	C	98.9	Very high	98.9	Very high	5 Å²	5	2.8 Å²	2.8	3%	0.034	1%	0.014	C	C	.	.			trans	-152.7	112.9	-179.3	-178.7	0	0	0	0	111.9	L46 A50 I98 S104 T105 G106	L46-C102 HydrophobicContact CB-CB 4.22Å; A50-C102 HydrophobicContact CB-CB 3.96Å; I98-C102 PolarHBondContact O-N 2.91Å; C102-S104 VanDerWaalsContact C-N 3.3Å; C102-S104 PolarHBondContact O-N 2.89Å; C102-T105 PolarHBondContact O-N 2.81Å; C102-T105 VanDerWaalsContact O-N 3.16Å; C102-T105 PolarHBondContact SG-OG1 2.65Å; C102-T105 VanDerWaalsContact SG-OG1 3.39Å; C102-G106 PolarHBondContact O-N 3.03Å
103	A	98.9	Very high	98.9	Very high	3 Å²	3	3.3 Å²	3.3	3%	0.025	2%	0.017	C	C	.	.	H	α-helix	trans	-61.1	-34.6	-179	0	0	0	0	0	113.6	S99 G106 V107 I226 Q271 I275 D377	S99-A103 PolarHBondContact O-N 3.26Å; A103-G106 PolarHBondContact O-N 3.05Å; A103-V107 PolarHBondContact O-N 2.64Å; A103-I226 HydrophobicContact CB-CG2 4.01Å; A103-Q271 PolarHBondContact O-NE2 3.21Å; A103-I275 HydrophobicContact CB-CD1 3.76Å; A103-I275 HydrophobicContact CB-CG1 3.76Å; A103-D377 HydrophobicContact CB-CB 3.84Å
104	S	98.9	Very high	98.9	Very high	4 Å²	4	3.3 Å²	3.3	3%	0.028	2%	0.016	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.3	-71.5	0	0	0	0	112.2	C102 G106 V107 V108 I226 A228 S229	C102-S104 VanDerWaalsContact C-N 3.3Å; C102-S104 PolarHBondContact O-N 2.89Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-G106 PolarHBondContact O-N 2.92Å; S104-V107 WeakPolarHBondContact O-CG1 3.21Å; S104-V107 PolarHBondContact O-N 3.33Å; S104-V108 VanDerWaalsContact O-CG2 3.3Å; S104-V108 WeakPolarHBondContact O-CG2 3.27Å; S104-V108 PolarHBondContact O-N 2.9Å; S104-V108 VanDerWaalsContact O-N 3.14Å; S104-I226 WeakPolarHBondContact OG-CA 3.32Å; S104-I226 PolarHBondContact OG-O 3.23Å; S104-A228 PolarHBondContact OG-N 3.13Å; S104-S229 PolarHBondContact OG-N 3.36Å
105	T	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175.1	-52.8	0	0	0	0	110.3	L46 P60 I64 L67 I98 C102 V107 V108 V109	L46-T105 HydrophobicContact CD1-CG2 4.15Å; L46-T105 HydrophobicContact CD2-CG2 4.06Å; P60-T105 WeakPolarHBondContact CG-OG1 3.21Å; I64-T105 HydrophobicContact CD1-CG2 3.86Å; L67-T105 HydrophobicContact CD1-CG2 3.71Å; I98-T105 HydrophobicContact CG2-CG2 3.79Å; C102-T105 PolarHBondContact O-N 2.81Å; C102-T105 VanDerWaalsContact O-N 3.16Å; C102-T105 PolarHBondContact SG-OG1 2.65Å; C102-T105 VanDerWaalsContact SG-OG1 3.39Å; T105-V107 PolarHBondContact O-N 2.8Å; T105-V108 PolarHBondContact O-N 3.13Å; T105-V108 VanDerWaalsContact O-N 3.16Å; T105-V109 WeakPolarHBondContact O-CG2 3.42Å; T105-V109 PolarHBondContact O-N 3.33Å
106	G	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-54.8	-45.2	176.2	0	0	0	0	0	113.7	S99 C102 A103 S104 V109 S110	S99-G106 WeakPolarHBondContact OG-CA 3.44Å; C102-G106 PolarHBondContact O-N 3.03Å; A103-G106 PolarHBondContact O-N 3.05Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-G106 PolarHBondContact O-N 2.92Å; G106-V109 PolarHBondContact O-N 3.21Å; G106-S110 WeakPolarHBondContact O-CB 3.31Å; G106-S110 PolarHBondContact O-N 3.36Å
107	V	98.9	Very high	98.9	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.019	C	C	.	.	H	α-helix	trans	-70.5	-34.2	177.6	70.8	0	0	0	0	112.7	A103 S104 T105 V109 S110 V111 T180 I226 I268 Y384	A103-V107 PolarHBondContact O-N 2.64Å; S104-V107 WeakPolarHBondContact O-CG1 3.21Å; S104-V107 PolarHBondContact O-N 3.33Å; T105-V107 PolarHBondContact O-N 2.8Å; V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.91Å; V107-S110 PolarHBondContact O-N 2.91Å; V107-V111 HydrophobicContact CG2-CG2 4.04Å; V107-V111 WeakPolarHBondContact O-CB 3.07Å; V107-V111 VanDerWaalsContact O-CG2 3.26Å; V107-V111 WeakPolarHBondContact O-CG2 3.25Å; V107-V111 PolarHBondContact O-N 3.36Å; V107-T180 HydrophobicContact CG1-CG2 4.4Å; V107-T180 HydrophobicContact CG2-CG2 4.22Å; V107-I226 HydrophobicContact CG1-CD1 4.47Å; V107-I268 HydrophobicContact CG2-CD1 4.47Å; V107-Y384 HydrophobicContact CG2-CE2 3.92Å
108	V	98.9	Very high	98.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.7	-47.2	174.8	174.8	0	0	0	0	110.3	Y59 I64 M73 S104 T105 N112 V142 N181	Y59-V108 HydrophobicContact CD2-CG2 4.32Å; Y59-V108 HydrophobicContact CE2-CB 4.45Å; Y59-V108 HydrophobicContact CE2-CG1 3.78Å; Y59-V108 HydrophobicContact CE2-CG2 3.78Å; I64-V108 HydrophobicContact CD1-CB 3.89Å; I64-V108 HydrophobicContact CD1-CG1 3.48Å; I64-V108 VanDerWaalsContact CD1-CG1 3.48Å; I64-V108 HydrophobicContact CG1-CG1 4.01Å; M73-V108 HydrophobicContact CE-CG1 4.49Å; S104-V108 VanDerWaalsContact O-CG2 3.3Å; S104-V108 WeakPolarHBondContact O-CG2 3.27Å; S104-V108 PolarHBondContact O-N 2.9Å; S104-V108 VanDerWaalsContact O-N 3.14Å; T105-V108 PolarHBondContact O-N 3.13Å; T105-V108 VanDerWaalsContact O-N 3.16Å; V108-N112 PolarHBondContact O-N 2.71Å; V108-V142 HydrophobicContact CG1-CG1 4.39Å; V108-N181 WeakPolarHBondContact CG2-OD1 3.34Å
109	V	98.9	Very high	98.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.5	-46.6	174.8	174.7	0	0	0	0	110.7	I64 L67 V72 M73 V95 I98 T105 G106 V107 N112 N113	I64-V109 HydrophobicContact CD1-CG2 4.38Å; L67-V109 HydrophobicContact CD1-CG2 3.88Å; V72-V109 HydrophobicContact CG1-CG1 3.81Å; M73-V109 HydrophobicContact SD-CB 4.22Å; M73-V109 HydrophobicContact SD-CG1 4.41Å; M73-V109 HydrophobicContact SD-CG2 3.68Å; V95-V109 HydrophobicContact CG2-CG1 4.13Å; I98-V109 HydrophobicContact CG2-CG2 4.34Å; T105-V109 WeakPolarHBondContact O-CG2 3.42Å; T105-V109 PolarHBondContact O-N 3.33Å; G106-V109 PolarHBondContact O-N 3.21Å; V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.91Å; V109-N112 PolarHBondContact O-N 2.86Å; V109-N113 PolarHBondContact O-N 2.79Å; V109-N113 VanDerWaalsContact O-N 3.13Å; V109-N113 PolarHBondContact O-ND2 2.67Å
110	S	98.9	Very high	98.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.8	-49	-178.5	-175.2	0	0	0	0	112.1	Y91 G106 V107 N112 N113 S114	Y91-S110 PolarHBondContact OH-OG 3.28Å; G106-S110 WeakPolarHBondContact O-CB 3.31Å; G106-S110 PolarHBondContact O-N 3.36Å; V107-S110 PolarHBondContact O-N 2.91Å; S110-N112 VanDerWaalsContact C-N 3.35Å; S110-N112 PolarHBondContact O-N 2.83Å; S110-N113 PolarHBondContact O-N 3.37Å; S110-S114 PolarHBondContact O-N 3.14Å; S110-S114 PolarHBondContact O-OG 3.04Å
111	V	98.9	Very high	98.9	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.018	3%	0.027	C	C	.	.	I	π-helix	trans	-61.5	-42.9	-179.3	169.6	0	0	0	0	111	V107 L115 Y116 T180 N181	V107-V111 HydrophobicContact CG2-CG2 4.04Å; V107-V111 WeakPolarHBondContact O-CB 3.07Å; V107-V111 VanDerWaalsContact O-CG2 3.26Å; V107-V111 WeakPolarHBondContact O-CG2 3.25Å; V107-V111 PolarHBondContact O-N 3.36Å; V111-L115 HydrophobicContact CG1-CB 4.37Å; V111-L115 HydrophobicContact CG2-CD1 4.17Å; V111-L115 CarbonylContact O-C 3.58Å; V111-L115 WeakPolarHBondContact O-CA 3.39Å; V111-L115 WeakPolarHBondContact O-CB 3.43Å; V111-L115 PolarHBondContact O-N 3.14Å; V111-L115 VanDerWaalsContact O-N 3.07Å; V111-Y116 PolarHBondContact O-N 2.88Å; V111-T180 HydrophobicContact CG2-CG2 3.89Å; V111-N181 WeakPolarHBondContact CG1-ND2 3.3Å
112	N	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-63.9	-48.4	179.8	-162.8	67.3	0	0	0	111.6	M73 V108 V109 S110 I117 F136 V142 G143	M73-N112 HydrophobicContact CE-CB 3.62Å; M73-N112 PolarHBondContact O-ND2 3.19Å; V108-N112 PolarHBondContact O-N 2.71Å; V109-N112 PolarHBondContact O-N 2.86Å; S110-N112 VanDerWaalsContact C-N 3.35Å; S110-N112 PolarHBondContact O-N 2.83Å; N112-I117 WeakPolarHBondContact ND2-CD1 3.41Å; N112-I117 WeakPolarHBondContact O-CB 3.38Å; N112-I117 VanDerWaalsContact O-CG1 3.27Å; N112-I117 WeakPolarHBondContact O-CG1 3.37Å; N112-I117 PolarHBondContact O-N 3.02Å; N112-F136 PolarHBondContact ND2-O 2.91Å; N112-V142 WeakPolarHBondContact OD1-CA 3.23Å; N112-G143 PolarHBondContact OD1-N 3.28Å
113	N	98.9	Very high	98.8	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.059	6%	0.061	C	C	.	.	I	π-helix	trans	-66.6	-55	-179.2	-81.8	-87.2	0	0	0	112.4	V72 M73 A74 M75 Y91 V109 S110 G118	V72-N113 PolarHBondContact O-ND2 2.95Å; M73-N113 PolarHBondContact O-ND2 3.22Å; A74-N113 WeakPolarHBondContact CA-OD1 3.38Å; A74-N113 PolarHBondContact N-OD1 3.44Å; M75-N113 PolarHBondContact N-OD1 2.98Å; Y91-N113 HydrophobicContact CD2-CB 3.9Å; Y91-N113 HydrophobicContact CE2-CB 3.52Å; V109-N113 PolarHBondContact O-N 2.79Å; V109-N113 VanDerWaalsContact O-N 3.13Å; V109-N113 PolarHBondContact O-ND2 2.67Å; S110-N113 PolarHBondContact O-N 3.37Å; N113-G118 PolarHBondContact O-N 2.77Å
114	S	98.6	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-91.5	-44.4	-166.8	67.4	0	0	0	0	113.3	Y88 S110 P119 G264	Y88-S114 WeakPolarHBondContact OH-CB 3.39Å; S110-S114 PolarHBondContact O-N 3.14Å; S110-S114 PolarHBondContact O-OG 3.04Å; S114-P119 WeakPolarHBondContact O-CD 3.48Å; S114-G264 WeakPolarHBondContact OG-CA 3.42Å
115	L	98.8	Very high	98.8	Very high	13 Å²	13	15.7 Å²	15.7	7%	0.068	8%	0.084	C	C	.	.	I	π-helix	trans	-91	-31.7	-171.5	-60.3	-170.2	0	0	0	113.4	V111 P119 F145 T260 L261	V111-L115 HydrophobicContact CG1-CB 4.37Å; V111-L115 HydrophobicContact CG2-CD1 4.17Å; V111-L115 CarbonylContact O-C 3.58Å; V111-L115 WeakPolarHBondContact O-CA 3.39Å; V111-L115 WeakPolarHBondContact O-CB 3.43Å; V111-L115 PolarHBondContact O-N 3.14Å; V111-L115 VanDerWaalsContact O-N 3.07Å; L115-P119 WeakPolarHBondContact O-CD 3.41Å; L115-P119 WeakPolarHBondContact O-CG 3.49Å; L115-F145 HydrophobicContact CB-CB 3.63Å; L115-F145 HydrophobicContact CB-CD2 4.19Å; L115-F145 HydrophobicContact CB-CG 3.96Å; L115-F145 HydrophobicContact CD1-CB 4.15Å; L115-F145 HydrophobicContact CD1-CD1 4.36Å; L115-F145 HydrophobicContact CD1-CG 4.39Å; L115-F145 WeakPolarHBondContact O-CD2 3.26Å; L115-T260 HydrophobicContact CD2-CG2 3.71Å; L115-L261 HydrophobicContact CD2-CD2 4.34Å
116	Y	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-94.4	-63.8	176.9	179.2	-105	0	0	0	111.7	V111 P119 I120 W132 F136 G143 A187 V189	V111-Y116 PolarHBondContact O-N 2.88Å; Y116-P119 VanDerWaalsContact O-CD 3.32Å; Y116-P119 WeakPolarHBondContact O-CD 3.34Å; Y116-P119 WeakPolarHBondContact O-CG 3.43Å; Y116-I120 HydrophobicContact CD1-CD1 4.32Å; Y116-I120 HydrophobicContact CD2-CD1 4.18Å; Y116-I120 HydrophobicContact CE1-CD1 3.91Å; Y116-I120 HydrophobicContact CE2-CD1 3.8Å; Y116-I120 HydrophobicContact CG-CD1 4.4Å; Y116-I120 VanDerWaalsContact O-CD1 3.3Å; Y116-I120 WeakPolarHBondContact O-CD1 3.49Å; Y116-I120 WeakPolarHBondContact O-CG1 3.36Å; Y116-W132 VanDerWaalsContact CE1-O 3.26Å; Y116-W132 WeakPolarHBondContact CE1-O 3.4Å; Y116-W132 PolarHBondContact OH-O 2.81Å; Y116-F136 HydrophobicContact CD1-CB 4.44Å; Y116-F136 HydrophobicContact CD1-CD1 4.18Å; Y116-F136 HydrophobicContact CD1-CG 4.29Å; Y116-F136 HydrophobicContact CE1-CB 3.93Å; Y116-F136 AromaticContact CE1-CD1 3.51Å; Y116-F136 HydrophobicContact CE1-CD1 3.51Å; Y116-F136 AromaticContact CE1-CD2 3.76Å; Y116-F136 HydrophobicContact CE1-CD2 3.76Å; Y116-F136 AromaticContact CE1-CE1 3.89Å; Y116-F136 HydrophobicContact CE1-CE1 3.89Å; Y116-F136 HydrophobicContact CE1-CE2 4.13Å; Y116-F136 AromaticContact CE1-CG 3.45Å; Y116-F136 HydrophobicContact CE1-CG 3.45Å; Y116-F136 VanDerWaalsContact CE1-CG 3.45Å; Y116-F136 HydrophobicContact CE1-CZ 4.2Å; Y116-F136 AromaticContact CZ-CE1 3.91Å; Y116-F136 AromaticContact CZ-CZ 3.93Å; Y116-F136 WeakPolarHBondContact OH-CE2 3.47Å; Y116-F136 VanDerWaalsContact OH-CZ 3.32Å; Y116-F136 WeakPolarHBondContact OH-CZ 3.32Å; Y116-G143 VanDerWaalsContact CG-CA 3.47Å; Y116-A187 HydrophobicContact CE2-CB 3.74Å; Y116-A187 WeakPolarHBondContact OH-CB 3.24Å; Y116-V189 HydrophobicContact CD2-CG2 3.91Å; Y116-V189 HydrophobicContact CE2-CG2 4.32Å
117	I	98.8	Very high	98.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.	I	π-helix	trans	-67.5	-45	-176.7	-66.7	168.2	0	0	0	111.4	A74 V77 N112 I120 L121 I133	A74-I117 HydrophobicContact CB-CD1 3.85Å; V77-I117 HydrophobicContact CG2-CD1 4.31Å; V77-I117 HydrophobicContact CG2-CG2 3.36Å; N112-I117 WeakPolarHBondContact ND2-CD1 3.41Å; N112-I117 WeakPolarHBondContact O-CB 3.38Å; N112-I117 VanDerWaalsContact O-CG1 3.27Å; N112-I117 WeakPolarHBondContact O-CG1 3.37Å; N112-I117 PolarHBondContact O-N 3.02Å; I117-I120 PolarHBondContact O-N 2.86Å; I117-L121 HydrophobicContact CG2-CB 4.36Å; I117-L121 WeakPolarHBondContact O-CB 3.42Å; I117-L121 PolarHBondContact O-N 3.25Å; I117-I133 HydrophobicContact CG1-CG2 4.45Å; I117-I133 HydrophobicContact CG2-CD1 4.25Å; I117-I133 HydrophobicContact CG2-CG1 4.2Å; I117-I133 HydrophobicContact CG2-CG2 3.88Å
118	G	98.7	Very high	98.7	Very high	13 Å²	13	27.2 Å²	27.2	13%	0.134	14%	0.138	C	C	.	.	H	α-helix	trans	-45.4	-56.6	-178.2	0	0	0	0	0	115.5	N113 I120 L121 K122	N113-G118 PolarHBondContact O-N 2.77Å; G118-I120 VanDerWaalsContact C-N 3.34Å; G118-I120 PolarHBondContact O-N 2.96Å; G118-L121 PolarHBondContact O-N 3.1Å; G118-K122 WeakPolarHBondContact O-CB 3.22Å; G118-K122 PolarHBondContact O-N 3.37Å; G118-K122 VanDerWaalsContact O-N 3.09Å
119	P	98.8	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-36.8	177	19	-28.4	0	0	0	113.4	S114 L115 Y116 K122 F123 V189 L247 I256 T260	S114-P119 WeakPolarHBondContact O-CD 3.48Å; L115-P119 WeakPolarHBondContact O-CD 3.41Å; L115-P119 WeakPolarHBondContact O-CG 3.49Å; Y116-P119 VanDerWaalsContact O-CD 3.32Å; Y116-P119 WeakPolarHBondContact O-CD 3.34Å; Y116-P119 WeakPolarHBondContact O-CG 3.43Å; P119-K122 PolarHBondContact O-N 3.43Å; P119-F123 HydrophobicContact CB-CD2 4.32Å; P119-F123 WeakPolarHBondContact O-CB 3.45Å; P119-F123 VanDerWaalsContact O-CD2 3.24Å; P119-F123 WeakPolarHBondContact O-CD2 3.22Å; P119-F123 PolarHBondContact O-N 2.94Å; P119-V189 HydrophobicContact CG-CG2 4.24Å; P119-L247 HydrophobicContact CB-CD2 3.92Å; P119-I256 HydrophobicContact CB-CG2 3.97Å; P119-T260 WeakPolarHBondContact CB-OG1 3.43Å; P119-T260 HydrophobicContact CG-CG2 4.03Å
120	I	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-43.6	-179.7	-56.6	165.7	0	0	0	110	Y116 I117 G118 K122 G124 W132 I133 V189 L207 L247	Y116-I120 HydrophobicContact CD1-CD1 4.32Å; Y116-I120 HydrophobicContact CD2-CD1 4.18Å; Y116-I120 HydrophobicContact CE1-CD1 3.91Å; Y116-I120 HydrophobicContact CE2-CD1 3.8Å; Y116-I120 HydrophobicContact CG-CD1 4.4Å; Y116-I120 VanDerWaalsContact O-CD1 3.3Å; Y116-I120 WeakPolarHBondContact O-CD1 3.49Å; Y116-I120 WeakPolarHBondContact O-CG1 3.36Å; I117-I120 PolarHBondContact O-N 2.86Å; G118-I120 VanDerWaalsContact C-N 3.34Å; G118-I120 PolarHBondContact O-N 2.96Å; I120-K122 VanDerWaalsContact C-N 3.26Å; I120-K122 PolarHBondContact O-N 2.9Å; I120-G124 VanDerWaalsContact O-CA 3.24Å; I120-G124 WeakPolarHBondContact O-CA 3.36Å; I120-G124 PolarHBondContact O-N 3.36Å; I120-W132 HydrophobicContact CD1-CB 3.93Å; I120-W132 HydrophobicContact CG2-CB 4.11Å; I120-I133 HydrophobicContact CB-CD1 4.21Å; I120-I133 HydrophobicContact CB-CG1 4.04Å; I120-I133 HydrophobicContact CG2-CD1 3.88Å; I120-I133 HydrophobicContact CG2-CG1 3.65Å; I120-V189 HydrophobicContact CD1-CG2 4.41Å; I120-V189 HydrophobicContact CG1-CG2 4.42Å; I120-L207 HydrophobicContact CD1-CD2 4Å; I120-L207 HydrophobicContact CG1-CD2 3.87Å; I120-L247 HydrophobicContact CG1-CD2 4.48Å
121	L	98.6	Very high	98.6	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-38.7	178.1	-175.1	62	0	0	0	111.2	L81 I117 G118 K129 I133	L81-L121 HydrophobicContact CD1-CD1 4.01Å; I117-L121 HydrophobicContact CG2-CB 4.36Å; I117-L121 WeakPolarHBondContact O-CB 3.42Å; I117-L121 PolarHBondContact O-N 3.25Å; G118-L121 PolarHBondContact O-N 3.1Å; L121-K129 VanDerWaalsContact O-CE 3.29Å; L121-K129 WeakPolarHBondContact O-CE 3.4Å; L121-I133 HydrophobicContact CB-CD1 3.87Å; L121-I133 HydrophobicContact CD1-CD1 3.99Å
122	K	98.4	Very high	98.6	Very high	123 Å²	123	41 Å²	41	54%	0.535	20%	0.199	S	C	.	.	H	α-helix	trans	-82.1	-36.6	-176.5	-171.3	171.4	-174.2	-178.8	0	114.3	G118 P119 I120	G118-K122 WeakPolarHBondContact O-CB 3.22Å; G118-K122 PolarHBondContact O-N 3.37Å; G118-K122 VanDerWaalsContact O-N 3.09Å; P119-K122 PolarHBondContact O-N 3.43Å; I120-K122 VanDerWaalsContact C-N 3.26Å; I120-K122 PolarHBondContact O-N 2.9Å
123	F	98.7	Very high	98.6	Very high	49 Å²	49	41 Å²	41	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-122.1	-8.1	-168.8	-54.5	-71	0	0	0	114.4	P119 L247 I256 Q259	P119-F123 HydrophobicContact CB-CD2 4.32Å; P119-F123 WeakPolarHBondContact O-CB 3.45Å; P119-F123 VanDerWaalsContact O-CD2 3.24Å; P119-F123 WeakPolarHBondContact O-CD2 3.22Å; P119-F123 PolarHBondContact O-N 2.94Å; F123-L247 HydrophobicContact CB-CD1 4.12Å; F123-L247 HydrophobicContact CB-CG 4.24Å; F123-I256 HydrophobicContact CB-CD1 4.37Å; F123-I256 HydrophobicContact CD1-CG1 4.21Å; F123-I256 HydrophobicContact CD2-CB 4.22Å; F123-I256 HydrophobicContact CD2-CD1 4.42Å; F123-I256 HydrophobicContact CD2-CG1 3.8Å; F123-I256 HydrophobicContact CD2-CG2 3.73Å; F123-I256 HydrophobicContact CE1-CG1 4.3Å; F123-I256 HydrophobicContact CE2-CB 4.09Å; F123-I256 HydrophobicContact CE2-CG1 3.91Å; F123-I256 HydrophobicContact CE2-CG2 3.84Å; F123-I256 HydrophobicContact CG-CD1 4.29Å; F123-I256 HydrophobicContact CG-CG1 3.94Å; F123-I256 HydrophobicContact CZ-CG1 4.14Å; F123-Q259 HydrophobicContact CZ-CB 4.28Å; F123-Q259 VanDerWaalsContact CZ-OE1 3.3Å
124	G	98.5	Very high	98.5	Very high	11 Å²	11	42.4 Å²	42.4	11%	0.113	21%	0.21	C	C	.	.			trans	-76	152.3	-179.6	0	0	0	0	0	112.8	I120 Q128 K129	I120-G124 VanDerWaalsContact O-CA 3.24Å; I120-G124 WeakPolarHBondContact O-CA 3.36Å; I120-G124 PolarHBondContact O-N 3.36Å; G124-Q128 VanDerWaalsContact CA-OE1 3.26Å; G124-K129 VanDerWaalsContact O-CE 3.3Å; G124-K129 WeakPolarHBondContact O-CE 3.37Å
125	T	98.6	Very high	98.5	Very high	69 Å²	69	44.8 Å²	44.8	42%	0.423	23%	0.225	S	C	.	.			trans	-68.3	168.1	164.8	78.3	0	0	0	0	110.6	E127 Q128 K129	T125-E127 VanDerWaalsContact C-N 3.26Å; T125-E127 WeakPolarHBondContact CB-OE2 3.33Å; T125-E127 PolarHBondContact O-N 3.34Å; T125-E127 PolarHBondContact OG1-N 3.34Å; T125-E127 PolarHBondContact OG1-OE2 3.41Å; T125-Q128 PolarHBondContact O-N 3.44Å; T125-Q128 VanDerWaalsContact O-N 3.13Å; T125-Q128 PolarHBondContact OG1-N 2.89Å; T125-K129 WeakPolarHBondContact O-CG 3.48Å; T125-K129 PolarHBondContact O-N 2.83Å
126	E	97.9	Very high	98.4	Very high	100 Å²	100	44.5 Å²	44.5	47%	0.467	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-36.8	177.5	-65.2	-53.3	123.4	0	0	112.3	K129 K130	E126-K129 PolarHBondContact O-N 3.44Å; E126-K129 IonicContact OE1-NZ 2.8Å; E126-K129 PolarHBondContact OE1-NZ 2.89Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.02Å; E126-K130 VanDerWaalsContact O-N 3.1Å
127	E	98	Very high	98.4	Very high	132 Å²	132	45 Å²	45	62%	0.617	23%	0.226	S	C	*	.	H	α-helix	trans	-64.6	-43.9	174	-59	69.4	-149.1	0	0	110.6	T125 K130 Q131	T125-E127 VanDerWaalsContact C-N 3.26Å; T125-E127 WeakPolarHBondContact CB-OE2 3.33Å; T125-E127 PolarHBondContact O-N 3.34Å; T125-E127 PolarHBondContact OG1-N 3.34Å; T125-E127 PolarHBondContact OG1-OE2 3.41Å; E127-K130 PolarHBondContact O-N 3.36Å; E127-Q131 WeakPolarHBondContact O-CB 3.39Å; E127-Q131 PolarHBondContact O-N 2.88Å
128	Q	98.6	Very high	98.3	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-42.2	177.4	-72.2	177.4	-29.5	0	0	111.6	G124 T125 K130 Q131 W132 L207 N244 M246	G124-Q128 VanDerWaalsContact CA-OE1 3.26Å; T125-Q128 PolarHBondContact O-N 3.44Å; T125-Q128 VanDerWaalsContact O-N 3.13Å; T125-Q128 PolarHBondContact OG1-N 2.89Å; Q128-K130 PolarHBondContact O-N 3.01Å; Q128-Q131 PolarHBondContact O-N 3.46Å; Q128-W132 VanDerWaalsContact O-CB 3.31Å; Q128-W132 WeakPolarHBondContact O-CB 3.34Å; Q128-W132 PolarHBondContact O-N 3.41Å; Q128-L207 HydrophobicContact CB-CD1 4.49Å; Q128-L207 HydrophobicContact CG-CD1 4.4Å; Q128-N244 PolarHBondContact NE2-O 3.24Å; Q128-M246 PolarHBondContact NE2-O 3.49Å
129	K	98.7	Very high	98.2	Very high	37 Å²	37	46.4 Å²	46.4	16%	0.161	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-48	177	-70.4	171.4	-170.4	170.1	0	111.2	L81 L121 G124 T125 E126 Q131 I133	L81-K129 HydrophobicContact CD1-CB 4.02Å; L81-K129 HydrophobicContact CD1-CD 4.42Å; L81-K129 HydrophobicContact CD2-CB 4.2Å; L121-K129 VanDerWaalsContact O-CE 3.29Å; L121-K129 WeakPolarHBondContact O-CE 3.4Å; G124-K129 VanDerWaalsContact O-CE 3.3Å; G124-K129 WeakPolarHBondContact O-CE 3.37Å; T125-K129 WeakPolarHBondContact O-CG 3.48Å; T125-K129 PolarHBondContact O-N 2.83Å; E126-K129 PolarHBondContact O-N 3.44Å; E126-K129 IonicContact OE1-NZ 2.8Å; E126-K129 PolarHBondContact OE1-NZ 2.89Å; K129-Q131 PolarHBondContact O-N 3.21Å; K129-I133 HydrophobicContact CB-CD1 3.97Å; K129-I133 HydrophobicContact CG-CD1 3.92Å; K129-I133 WeakPolarHBondContact O-CA 3.46Å; K129-I133 WeakPolarHBondContact O-CB 3.26Å; K129-I133 PolarHBondContact O-N 2.95Å
130	K	98	Very high	98.1	Very high	139 Å²	139	51.5 Å²	51.5	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-61.7	-44	177.7	-70.5	174.8	-177.7	177	0	112.5	L81 E126 E127 Q128	L81-K130 HydrophobicContact CD2-CG 4.16Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.02Å; E126-K130 VanDerWaalsContact O-N 3.1Å; E127-K130 PolarHBondContact O-N 3.36Å; Q128-K130 PolarHBondContact O-N 3.01Å
131	Q	98.3	Very high	98	Very high	105 Å²	105	56 Å²	56	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-73.5	-38	-176.8	-177.8	178.8	-2.5	0	0	113.1	E127 Q128 K129 P135	E127-Q131 WeakPolarHBondContact O-CB 3.39Å; E127-Q131 PolarHBondContact O-N 2.88Å; Q128-Q131 PolarHBondContact O-N 3.46Å; K129-Q131 PolarHBondContact O-N 3.21Å; Q131-P135 WeakPolarHBondContact O-CD 3.29Å; Q131-P135 WeakPolarHBondContact O-CG 3.43Å
132	W	98.7	Very high	98	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.045	28%	0.276	C	S	.	.	H	α-helix	trans	-112.1	-9.7	-166.2	-55.6	97.5	0	0	0	114.4	Y116 I120 Q128 F136 A187 L207 P209	Y116-W132 VanDerWaalsContact CE1-O 3.26Å; Y116-W132 WeakPolarHBondContact CE1-O 3.4Å; Y116-W132 PolarHBondContact OH-O 2.81Å; I120-W132 HydrophobicContact CD1-CB 3.93Å; I120-W132 HydrophobicContact CG2-CB 4.11Å; Q128-W132 VanDerWaalsContact O-CB 3.31Å; Q128-W132 WeakPolarHBondContact O-CB 3.34Å; Q128-W132 PolarHBondContact O-N 3.41Å; W132-F136 WeakPolarHBondContact O-CD2 3.21Å; W132-A187 HydrophobicContact CE3-CB 4.15Å; W132-A187 HydrophobicContact CZ3-CB 4.09Å; W132-L207 HydrophobicContact CB-CD1 4.25Å; W132-L207 VanDerWaalsContact CD1-CD1 3.49Å; W132-L207 HydrophobicContact CD2-CB 4Å; W132-L207 HydrophobicContact CD2-CD1 3.91Å; W132-L207 HydrophobicContact CE3-CB 4.1Å; W132-L207 HydrophobicContact CG-CD1 3.66Å; W132-L207 HydrophobicContact CH2-CB 4.09Å; W132-L207 HydrophobicContact CZ2-CB 3.98Å; W132-L207 HydrophobicContact CZ3-CB 4.14Å; W132-P209 HydrophobicContact CH2-CB 4.39Å; W132-P209 HydrophobicContact CH2-CG 4.48Å; W132-P209 HydrophobicContact CZ3-CB 4.27Å
133	I	98.7	Very high	98.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-56.7	173.6	-58	175.4	0	0	0	111	V77 L81 I117 I120 L121 K129 P135 F136 T137	V77-I133 HydrophobicContact CB-CG2 4.49Å; V77-I133 HydrophobicContact CG1-CG2 3.66Å; V77-I133 HydrophobicContact CG2-CG2 3.93Å; L81-I133 HydrophobicContact CB-CG2 4.49Å; L81-I133 HydrophobicContact CD1-CD1 4.19Å; I117-I133 HydrophobicContact CG1-CG2 4.45Å; I117-I133 HydrophobicContact CG2-CD1 4.25Å; I117-I133 HydrophobicContact CG2-CG1 4.2Å; I117-I133 HydrophobicContact CG2-CG2 3.88Å; I120-I133 HydrophobicContact CB-CD1 4.21Å; I120-I133 HydrophobicContact CB-CG1 4.04Å; I120-I133 HydrophobicContact CG2-CD1 3.88Å; I120-I133 HydrophobicContact CG2-CG1 3.65Å; L121-I133 HydrophobicContact CB-CD1 3.87Å; L121-I133 HydrophobicContact CD1-CD1 3.99Å; K129-I133 HydrophobicContact CB-CD1 3.97Å; K129-I133 HydrophobicContact CG-CD1 3.92Å; K129-I133 WeakPolarHBondContact O-CA 3.46Å; K129-I133 WeakPolarHBondContact O-CB 3.26Å; K129-I133 PolarHBondContact O-N 2.95Å; I133-P135 VanDerWaalsContact C-CD 3.46Å; I133-P135 VanDerWaalsContact C-N 3.32Å; I133-P135 VanDerWaalsContact O-N 3.15Å; I133-F136 WeakPolarHBondContact O-CA 3.4Å; I133-F136 WeakPolarHBondContact O-CB 3.26Å; I133-F136 PolarHBondContact O-N 3.42Å; I133-T137 HydrophobicContact CG2-CG2 4.06Å; I133-T137 WeakPolarHBondContact O-CG2 3.29Å
134	S	96.9	Very high	98.1	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.7	-37.5	-170.4	-58.7	0	0	0	0	114.9	L81 F136 T137	L81-S134 WeakPolarHBondContact O-CA 3.17Å; L81-S134 WeakPolarHBondContact O-CB 3.45Å; L81-S134 PolarHBondContact O-OG 2.99Å; S134-F136 PolarHBondContact O-N 3.36Å; S134-T137 PolarHBondContact O-OG1 3.23Å
135	P	98.1	Very high	98.1	Very high	49 Å²	49	46.7 Å²	46.7	32%	0.318	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.9	-9.5	175.2	-21.3	35.1	0	0	0	115.3	Q131 I133 K141	Q131-P135 WeakPolarHBondContact O-CD 3.29Å; Q131-P135 WeakPolarHBondContact O-CG 3.43Å; I133-P135 VanDerWaalsContact C-CD 3.46Å; I133-P135 VanDerWaalsContact C-N 3.32Å; I133-P135 VanDerWaalsContact O-N 3.15Å; P135-K141 HydrophobicContact CB-CD 4.16Å
136	F	98.6	Very high	98.1	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.031	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-112.4	8.1	-171.4	-65.1	-98.3	0	0	0	113	N112 Y116 W132 I133 S134 K141 V142 A187	N112-F136 PolarHBondContact ND2-O 2.91Å; Y116-F136 HydrophobicContact CD1-CB 4.44Å; Y116-F136 HydrophobicContact CD1-CD1 4.18Å; Y116-F136 HydrophobicContact CD1-CG 4.29Å; Y116-F136 HydrophobicContact CE1-CB 3.93Å; Y116-F136 AromaticContact CE1-CD1 3.51Å; Y116-F136 HydrophobicContact CE1-CD1 3.51Å; Y116-F136 AromaticContact CE1-CD2 3.76Å; Y116-F136 HydrophobicContact CE1-CD2 3.76Å; Y116-F136 AromaticContact CE1-CE1 3.89Å; Y116-F136 HydrophobicContact CE1-CE1 3.89Å; Y116-F136 HydrophobicContact CE1-CE2 4.13Å; Y116-F136 AromaticContact CE1-CG 3.45Å; Y116-F136 HydrophobicContact CE1-CG 3.45Å; Y116-F136 VanDerWaalsContact CE1-CG 3.45Å; Y116-F136 HydrophobicContact CE1-CZ 4.2Å; Y116-F136 AromaticContact CZ-CE1 3.91Å; Y116-F136 AromaticContact CZ-CZ 3.93Å; Y116-F136 WeakPolarHBondContact OH-CE2 3.47Å; Y116-F136 VanDerWaalsContact OH-CZ 3.32Å; Y116-F136 WeakPolarHBondContact OH-CZ 3.32Å; W132-F136 WeakPolarHBondContact O-CD2 3.21Å; I133-F136 WeakPolarHBondContact O-CA 3.4Å; I133-F136 WeakPolarHBondContact O-CB 3.26Å; I133-F136 PolarHBondContact O-N 3.42Å; S134-F136 PolarHBondContact O-N 3.36Å; F136-K141 HydrophobicContact CD1-CB 3.64Å; F136-K141 HydrophobicContact CE1-CB 3.68Å; F136-K141 HydrophobicContact CG-CB 4.19Å; F136-K141 HydrophobicContact CZ-CB 4.25Å; F136-K141 HydrophobicContact CZ-CD 4.28Å; F136-V142 WeakPolarHBondContact CE1-O 3.28Å; F136-A187 HydrophobicContact CE1-CB 3.92Å; F136-A187 HydrophobicContact CE2-CB 4.39Å; F136-A187 HydrophobicContact CZ-CB 3.47Å; F136-A187 VanDerWaalsContact CZ-CB 3.47Å
137	T	98.3	Very high	98.1	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.2	C	C	.	.	S	Bend	trans	-91	-33	-178.4	66.4	0	0	0	0	113.5	A74 V77 G82 I133 S134 G139	A74-T137 HydrophobicContact CB-CG2 3.52Å; V77-T137 HydrophobicContact CG1-CG2 4.25Å; G82-T137 WeakPolarHBondContact O-CB 3.07Å; G82-T137 PolarHBondContact O-OG1 3.29Å; I133-T137 HydrophobicContact CG2-CG2 4.06Å; I133-T137 WeakPolarHBondContact O-CG2 3.29Å; S134-T137 PolarHBondContact O-OG1 3.23Å; T137-G139 PolarHBondContact O-N 2.95Å
138	A	96.1	Very high	98.2	Very high	35 Å²	35	34.7 Å²	34.7	29%	0.289	18%	0.183	S	C	.	.	S	Bend	trans	-89.9	7.2	-172.8	0	0	0	0	0	115	K65 G68 D140	K65-A138 PolarHBondContact NZ-O 3.27Å; K65-A138 VanDerWaalsContact NZ-O 3.12Å; G68-A138 VanDerWaalsContact CA-C 3.49Å; A138-D140 VanDerWaalsContact C-N 3.29Å; A138-D140 PolarHBondContact O-N 3.44Å
139	G	96.2	Very high	98.2	Very high	9 Å²	9	34.3 Å²	34.3	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	77	2.9	178.9	0	0	0	0	0	115.8	T137 K141	T137-G139 PolarHBondContact O-N 2.95Å; G139-K141 VanDerWaalsContact C-N 3.33Å
140	D	96.7	Very high	98.1	Very high	108 Å²	108	36.9 Å²	36.9	58%	0.578	20%	0.202	S	C	*	.	S	Bend	trans	-71.8	-30.6	173.3	-66.7	-53.7	0	0	0	112.7	K65 A138	K65-D140 WeakPolarHBondContact CD-OD1 3.37Å; K65-D140 WeakPolarHBondContact CE-OD1 3.35Å; K65-D140 IonicContact NZ-OD1 2.89Å; K65-D140 PolarHBondContact NZ-OD1 2.83Å; K65-D140 IonicContact NZ-OD2 3.2Å; K65-D140 PolarHBondContact NZ-OD2 3.19Å; A138-D140 VanDerWaalsContact C-N 3.29Å; A138-D140 PolarHBondContact O-N 3.44Å
141	K	98.4	Very high	97.9	Very high	93 Å²	93	33.8 Å²	33.8	40%	0.404	21%	0.209	S	C	.	.			trans	-132.5	142.3	177.3	-60	-178.2	179.6	178.3	0	108.4	P135 F136 G139 S186	P135-K141 HydrophobicContact CB-CD 4.16Å; F136-K141 HydrophobicContact CD1-CB 3.64Å; F136-K141 HydrophobicContact CE1-CB 3.68Å; F136-K141 HydrophobicContact CG-CB 4.19Å; F136-K141 HydrophobicContact CZ-CB 4.25Å; F136-K141 HydrophobicContact CZ-CD 4.28Å; G139-K141 VanDerWaalsContact C-N 3.33Å; K141-S186 WeakPolarHBondContact CG-OG 3.47Å
142	V	98.6	Very high	97.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.7	167.7	-60.6	0	0	0	0	109.9	I64 M73 V108 N112 F136 N181 D184 A185 S186	I64-V142 HydrophobicContact CG2-CG1 3.92Å; M73-V142 HydrophobicContact CE-CG1 3.62Å; V108-V142 HydrophobicContact CG1-CG1 4.39Å; N112-V142 WeakPolarHBondContact OD1-CA 3.23Å; F136-V142 WeakPolarHBondContact CE1-O 3.28Å; V142-N181 HydrophobicContact CG2-CB 4.36Å; V142-D184 HydrophobicContact CG2-CB 4.41Å; V142-D184 WeakPolarHBondContact CG2-O 3.06Å; V142-A185 CarbonylContact O-C 3.27Å; V142-A185 WeakPolarHBondContact O-CA 3.15Å; V142-A185 WeakPolarHBondContact O-CB 3.19Å; V142-S186 PolarHBondContact O-N 3.1Å
143	G	98.8	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	170.6	172.7	0	0	0	0	0	113.4	N112 Y116 N181 A187	N112-G143 PolarHBondContact OD1-N 3.28Å; Y116-G143 VanDerWaalsContact CG-CA 3.47Å; G143-N181 PolarHBondContact O-ND2 2.85Å; G143-N181 VanDerWaalsContact O-ND2 3.1Å; G143-A187 WeakPolarHBondContact CA-O 3.28Å
144	C	98.8	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	170.7	170.7	66.8	0	0	0	0	112.1	I179 T180 N181 A185 A187 T188 V189	C144-I179 HydrophobicContact CB-CG2 3.81Å; C144-T180 WeakPolarHBondContact CB-O 3.45Å; C144-N181 HydrophobicContact CB-CB 4.14Å; C144-A185 HydrophobicContact CB-CB 3.96Å; C144-A187 PolarHBondContact N-O 3.02Å; C144-T188 WeakPolarHBondContact O-CA 3.21Å; C144-T188 WeakPolarHBondContact SG-CB 3.26Å; C144-T188 PolarHBondContact SG-OG1 2.93Å; C144-V189 PolarHBondContact O-N 3.49Å
145	F	98.9	Very high	97.3	Very high	21 Å²	21	37.8 Å²	37.8	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.3	-174.5	179.5	-92.4	0	0	0	110.4	L115 L147 V189 F191 A257 T260	L115-F145 HydrophobicContact CB-CB 3.63Å; L115-F145 HydrophobicContact CB-CD2 4.19Å; L115-F145 HydrophobicContact CB-CG 3.96Å; L115-F145 HydrophobicContact CD1-CB 4.15Å; L115-F145 HydrophobicContact CD1-CD1 4.36Å; L115-F145 HydrophobicContact CD1-CG 4.39Å; L115-F145 WeakPolarHBondContact O-CD2 3.26Å; F145-L147 HydrophobicContact CD1-CB 4.1Å; F145-L147 HydrophobicContact CE1-CB 3.5Å; F145-L147 HydrophobicContact CE1-CD2 3.94Å; F145-L147 HydrophobicContact CE1-CG 4.36Å; F145-L147 HydrophobicContact CZ-CB 4.23Å; F145-L147 HydrophobicContact CZ-CD2 4.35Å; F145-V189 HydrophobicContact CD2-CB 4.19Å; F145-V189 HydrophobicContact CD2-CG1 4.46Å; F145-F191 AromaticContact CD2-CE2 3.75Å; F145-F191 HydrophobicContact CD2-CE2 3.75Å; F145-F191 HydrophobicContact CD2-CZ 4.31Å; F145-F191 HydrophobicContact CE1-CE2 4.04Å; F145-F191 HydrophobicContact CE2-CD2 4.32Å; F145-F191 AromaticContact CE2-CE2 3.14Å; F145-F191 HydrophobicContact CE2-CE2 3.14Å; F145-F191 AromaticContact CE2-CZ 3.4Å; F145-F191 HydrophobicContact CE2-CZ 3.4Å; F145-F191 VanDerWaalsContact CE2-CZ 3.4Å; F145-F191 HydrophobicContact CG-CE2 4.45Å; F145-F191 HydrophobicContact CZ-CD2 4.16Å; F145-F191 AromaticContact CZ-CE2 3.29Å; F145-F191 HydrophobicContact CZ-CE2 3.29Å; F145-F191 AromaticContact CZ-CZ 3.67Å; F145-F191 HydrophobicContact CZ-CZ 3.67Å; F145-A257 HydrophobicContact CZ-CB 4.25Å; F145-T260 HydrophobicContact CD2-CG2 4.27Å; F145-T260 HydrophobicContact CE2-CG2 3.7Å; F145-T260 HydrophobicContact CZ-CG2 4.23Å
146	A	98.8	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	86.3	-168	0	0	0	0	0	112.1	K176 I179 V189 V190 F191 I234	A146-K176 HydrophobicContact CB-CB 3.99Å; A146-K176 HydrophobicContact CB-CG 3.93Å; A146-K176 WeakPolarHBondContact O-CE 3.3Å; A146-I179 HydrophobicContact CB-CD1 3.85Å; A146-I179 HydrophobicContact CB-CG1 4.19Å; A146-I179 HydrophobicContact CB-CG2 4.48Å; A146-V189 PolarHBondContact N-O 3.4Å; A146-V190 HydrophobicContact CB-CG2 3.86Å; A146-F191 PolarHBondContact O-N 3.21Å; A146-I234 HydrophobicContact CB-CD1 4.32Å
147	L	98.7	Very high	96.6	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	24%	0.244	C	C	.	.			trans	-109.4	-52.9	179.5	178	63.9	0	0	0	112.9	F145 A156 K176 F191 A257 M258 L261	F145-L147 HydrophobicContact CD1-CB 4.1Å; F145-L147 HydrophobicContact CE1-CB 3.5Å; F145-L147 HydrophobicContact CE1-CD2 3.94Å; F145-L147 HydrophobicContact CE1-CG 4.36Å; F145-L147 HydrophobicContact CZ-CB 4.23Å; F145-L147 HydrophobicContact CZ-CD2 4.35Å; L147-A156 HydrophobicContact CD1-CB 4.45Å; L147-A156 HydrophobicContact CD2-CB 4.04Å; L147-A156 HydrophobicContact CG-CB 4.32Å; L147-K176 WeakPolarHBondContact O-CE 3.36Å; L147-K176 PolarHBondContact O-NZ 3.44Å; L147-F191 HydrophobicContact CB-CD2 4.01Å; L147-F191 HydrophobicContact CD1-CB 3.79Å; L147-F191 HydrophobicContact CD1-CD1 4.48Å; L147-F191 HydrophobicContact CD1-CD2 3.95Å; L147-F191 HydrophobicContact CD1-CG 3.79Å; L147-A257 HydrophobicContact CD1-CB 4.09Å; L147-A257 HydrophobicContact CD2-CB 4.06Å; L147-M258 HydrophobicContact CD2-CE 4.41Å; L147-L261 HydrophobicContact CD2-CD1 3.93Å
148	S	98.4	Very high	96.4	Very high	37 Å²	37	38.3 Å²	38.3	26%	0.259	26%	0.26	S	S	.	.			trans	-66.4	153.3	-177.1	-57.3	0	0	0	0	112.1	K176 A177	S148-K176 CarbonylContact O-C 3.55Å; S148-K176 VanDerWaalsContact O-CA 3.29Å; S148-K176 WeakPolarHBondContact O-CA 3.27Å; S148-K176 WeakPolarHBondContact O-CE 3.4Å; S148-A177 WeakPolarHBondContact CB-O 3.21Å; S148-A177 PolarHBondContact O-N 3.14Å
149	E	98.7	Very high	96.4	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.014	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-134.2	163.8	177.5	-57.8	-178.3	-171	0	0	109.1	G151 N152 A159 S160 T161 T175 K176	E149-G151 PolarHBondContact O-N 3.39Å; E149-G151 VanDerWaalsContact O-N 3.13Å; E149-N152 WeakPolarHBondContact CB-OD1 3.47Å; E149-N152 PolarHBondContact N-O 3.21Å; E149-N152 CarbonylContact O-C 3.58Å; E149-N152 PolarHBondContact O-N 2.84Å; E149-N152 VanDerWaalsContact O-O 3.04Å; E149-N152 PolarHBondContact OE2-OD1 3.35Å; E149-A159 WeakPolarHBondContact OE1-CA 3.41Å; E149-A159 WeakPolarHBondContact OE1-CB 3.24Å; E149-S160 PolarHBondContact OE1-N 3.25Å; E149-S160 WeakPolarHBondContact OE2-CA 3.4Å; E149-S160 VanDerWaalsContact OE2-CB 3.26Å; E149-S160 WeakPolarHBondContact OE2-CB 3.15Å; E149-S160 PolarHBondContact OE2-N 3.5Å; E149-S160 PolarHBondContact OE2-OG 2.89Å; E149-T161 WeakPolarHBondContact OE1-CB 3.16Å; E149-T161 PolarHBondContact OE1-N 2.88Å; E149-T161 PolarHBondContact OE1-OG1 2.75Å; E149-T161 PolarHBondContact OE2-N 3.48Å; E149-T175 WeakPolarHBondContact CG-O 3.41Å; E149-K176 HydrophobicContact CG-CD 4.07Å; E149-K176 IonicContact OE1-NZ 2.79Å; E149-K176 PolarHBondContact OE1-NZ 3.32Å
150	P	97.3	Very high	96.4	Very high	91 Å²	91	39.7 Å²	39.7	59%	0.591	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	-179.1	-27.1	35.1	0	0	0	113.7	T175 A177	P150-T175 WeakPolarHBondContact CD-O 3.32Å; P150-T175 HydrophobicContact CG-CG2 4.17Å; P150-A177 HydrophobicContact CG-CB 4Å
151	G	94.9	Very high	96.5	Very high	74 Å²	74	34.5 Å²	34.5	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.7	-179.9	0	0	0	0	0	115.2	E149	E149-G151 PolarHBondContact O-N 3.39Å; E149-G151 VanDerWaalsContact O-N 3.13Å
152	N	93.6	Very high	96.5	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.091	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-155.9	122.7	-173.5	57.1	-76.8	0	0	0	113.3	E149 D155 A158	E149-N152 WeakPolarHBondContact CB-OD1 3.47Å; E149-N152 PolarHBondContact N-O 3.21Å; E149-N152 CarbonylContact O-C 3.58Å; E149-N152 PolarHBondContact O-N 2.84Å; E149-N152 VanDerWaalsContact O-O 3.04Å; E149-N152 PolarHBondContact OE2-OD1 3.35Å; N152-D155 WeakPolarHBondContact CB-O 3.12Å; N152-A158 HydrophobicContact CB-CB 4.23Å
153	G	95.4	Very high	96.5	Very high	41 Å²	41	31 Å²	31	42%	0.423	23%	0.225	S	C	.	.	S	Bend	trans	-116.7	-73	168.6	0	0	0	0	0	110.8	D155 A156	G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.01Å; G153-A156 PolarHBondContact O-N 2.68Å
154	S	95.1	Very high	96.5	Very high	78 Å²	78	35.9 Å²	35.9	55%	0.545	25%	0.248	S	C	.	.	S	Bend	trans	-56.3	-39.5	177.3	-63.7	0	0	0	0	113.5	A156	S154-A156 VanDerWaalsContact C-N 3.28Å; S154-A156 PolarHBondContact O-N 2.8Å; S154-A156 VanDerWaalsContact O-N 3.14Å
155	D	94.4	Very high	96.5	Very high	107 Å²	107	40.4 Å²	40.4	57%	0.572	27%	0.269	S	S	*	.			trans	-85.9	66.9	172.3	-170.7	6.2	0	0	0	111.1	N152 G153 G157 A158	N152-D155 WeakPolarHBondContact CB-O 3.12Å; G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.01Å; D155-G157 PolarHBondContact O-N 3.39Å; D155-A158 HydrophobicContact CB-CB 4.43Å; D155-A158 PolarHBondContact O-N 2.83Å; D155-A158 VanDerWaalsContact O-N 3.12Å; D155-A158 WeakPolarHBondContact OD2-CB 3.22Å
156	A	91.1	Very high	96.3	Very high	13 Å²	13	43.5 Å²	43.5	11%	0.107	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.6	-14.5	-177.6	0	0	0	0	0	113.8	L147 G153 S154 A158 F254 M258	L147-A156 HydrophobicContact CD1-CB 4.45Å; L147-A156 HydrophobicContact CD2-CB 4.04Å; L147-A156 HydrophobicContact CG-CB 4.32Å; G153-A156 PolarHBondContact O-N 2.68Å; S154-A156 VanDerWaalsContact C-N 3.28Å; S154-A156 PolarHBondContact O-N 2.8Å; S154-A156 VanDerWaalsContact O-N 3.14Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-F254 HydrophobicContact CB-CE2 4.24Å; A156-M258 HydrophobicContact CB-CE 4.13Å
157	G	92.3	Very high	96.2	Very high	16 Å²	16	46.5 Å²	46.5	17%	0.165	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-81.1	-10.5	178.1	0	0	0	0	0	114.4	D155 A159	D155-G157 PolarHBondContact O-N 3.39Å; G157-A159 VanDerWaalsContact C-N 3.32Å; G157-A159 PolarHBondContact O-N 3.37Å
158	A	94.2	Very high	96.1	Very high	48 Å²	48	54.1 Å²	54.1	40%	0.397	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-92.3	22.9	-177.2	0	0	0	0	0	114.1	N152 D155 A156 S160	N152-A158 HydrophobicContact CB-CB 4.23Å; D155-A158 HydrophobicContact CB-CB 4.43Å; D155-A158 PolarHBondContact O-N 2.83Å; D155-A158 VanDerWaalsContact O-N 3.12Å; D155-A158 WeakPolarHBondContact OD2-CB 3.22Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A158-S160 PolarHBondContact O-N 2.57Å
159	A	94.4	Very high	96.1	Very high	10 Å²	10	55.8 Å²	55.8	8%	0.083	35%	0.354	C	S	.	.			trans	-52.4	129.1	-177.9	0	0	0	0	0	112.8	E149 G157 I203	E149-A159 WeakPolarHBondContact OE1-CA 3.41Å; E149-A159 WeakPolarHBondContact OE1-CB 3.24Å; G157-A159 VanDerWaalsContact C-N 3.32Å; G157-A159 PolarHBondContact O-N 3.37Å; A159-I203 HydrophobicContact CB-CD1 3.98Å; A159-I203 HydrophobicContact CB-CG1 4.42Å
160	S	97.4	Very high	96.1	Very high	63 Å²	63	55.8 Å²	55.8	44%	0.441	35%	0.354	S	S	.	.			trans	-100.1	-25.5	-179.2	75	0	0	0	0	113.1	E149 A158 T162 K196	E149-S160 PolarHBondContact OE1-N 3.25Å; E149-S160 WeakPolarHBondContact OE2-CA 3.4Å; E149-S160 VanDerWaalsContact OE2-CB 3.26Å; E149-S160 WeakPolarHBondContact OE2-CB 3.15Å; E149-S160 PolarHBondContact OE2-N 3.5Å; E149-S160 PolarHBondContact OE2-OG 2.89Å; A158-S160 PolarHBondContact O-N 2.57Å; S160-T162 PolarHBondContact O-N 3.22Å; S160-K196 WeakPolarHBondContact O-CE 3.32Å; S160-K196 PolarHBondContact O-NZ 2.79Å; S160-K196 VanDerWaalsContact O-NZ 3.11Å
161	T	98.8	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	33%	0.329	C	S	.	.			trans	-57.7	127	172.7	-63.6	0	0	0	0	110	E149 N173 T175 K176 A192 T193 L236	E149-T161 WeakPolarHBondContact OE1-CB 3.16Å; E149-T161 PolarHBondContact OE1-N 2.88Å; E149-T161 PolarHBondContact OE1-OG1 2.75Å; E149-T161 PolarHBondContact OE2-N 3.48Å; T161-N173 CarbonylContact C-O 3.53Å; T161-N173 VanDerWaalsContact CA-O 3.31Å; T161-N173 WeakPolarHBondContact CA-O 3.23Å; T161-N173 WeakPolarHBondContact CG2-O 3.31Å; T161-T175 PolarHBondContact OG1-N 3.35Å; T161-K176 HydrophobicContact CG2-CD 4.26Å; T161-K176 WeakPolarHBondContact OG1-CD 3.49Å; T161-A192 HydrophobicContact CG2-CB 3.76Å; T161-A192 CarbonylContact O-C 3.53Å; T161-A192 WeakPolarHBondContact O-CA 3.38Å; T161-A192 WeakPolarHBondContact O-CB 3.24Å; T161-T193 WeakPolarHBondContact O-CG2 3.39Å; T161-T193 PolarHBondContact O-N 3.06Å; T161-L236 HydrophobicContact CG2-CD1 3.99Å
162	T	98.7	Very high	96.3	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.8	-177.3	57.2	0	0	0	0	112.6	S160 L172 N173 T193 K196	S160-T162 PolarHBondContact O-N 3.22Å; T162-L172 VanDerWaalsContact O-CA 3.27Å; T162-L172 WeakPolarHBondContact O-CA 3.37Å; T162-N173 PolarHBondContact N-O 3.11Å; T162-N173 PolarHBondContact O-N 2.86Å; T162-N173 VanDerWaalsContact O-N 3.13Å; T162-T193 WeakPolarHBondContact CA-O 3.35Å; T162-T193 HydrophobicContact CG2-CG2 4.07Å; T162-K196 VanDerWaalsContact CG2-CE 3.42Å
163	A	98.8	Very high	96.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117	167.2	0	0	0	0	0	109.1	W170 L171 L172 A192 T193 T194 F206	A163-W170 HydrophobicContact CB-CE3 4.14Å; A163-L171 WeakPolarHBondContact CA-O 3.49Å; A163-L172 HydrophobicContact CB-CD1 4.41Å; A163-L172 HydrophobicContact CB-CG 3.94Å; A163-A192 HydrophobicContact CB-CB 3.93Å; A163-T193 PolarHBondContact N-O 3.22Å; A163-T194 HydrophobicContact CB-CG2 4.07Å; A163-T194 WeakPolarHBondContact O-CA 3.41Å; A163-F206 HydrophobicContact CB-CD2 4.47Å; A163-F206 HydrophobicContact CB-CE1 4.29Å; A163-F206 HydrophobicContact CB-CE2 3.55Å; A163-F206 HydrophobicContact CB-CZ 3.43Å; A163-F206 VanDerWaalsContact CB-CZ 3.43Å
164	H	97.9	Very high	96.8	Very high	101 Å²	101	49.3 Å²	49.3	47%	0.468	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134	178.2	-65	-78.4	0	0	0	109.9	W170 L171	H164-W170 CarbonylContact O-C 3.55Å; H164-W170 WeakPolarHBondContact O-CA 3.37Å; H164-L171 PolarHBondContact N-O 3.02Å; H164-L171 PolarHBondContact O-N 3.06Å
165	Q	97.9	Very high	96.9	Very high	96 Å²	96	47.9 Å²	47.9	45%	0.449	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	175.4	-172.6	-180	-10.1	0	0	109.4	G167 E169 W170 L243	Q165-G167 PolarHBondContact NE2-O 2.72Å; Q165-E169 WeakPolarHBondContact CA-O 3.24Å; Q165-W170 HydrophobicContact CB-CD2 4.5Å; Q165-W170 HydrophobicContact CB-CE3 3.99Å; Q165-W170 HydrophobicContact CB-CH2 4.08Å; Q165-W170 HydrophobicContact CB-CZ3 3.77Å; Q165-L243 HydrophobicContact CG-CD1 3.91Å
166	E	96.6	Very high	97.1	Very high	86 Å²	86	42.8 Å²	42.8	40%	0.402	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	98.3	174.4	-68.1	-170	172.7	0	0	108.8	E168 E169 L171 R240	E166-E168 PolarHBondContact O-N 3Å; E166-E169 PolarHBondContact N-O 3.15Å; E166-E169 PolarHBondContact O-N 2.99Å; E166-E169 VanDerWaalsContact O-N 3.11Å; E166-L171 WeakPolarHBondContact OE1-CD2 3.24Å; E166-R240 IonicContact OE2-CZ 3.19Å; E166-R240 IonicContact OE2-NH1 2.78Å; E166-R240 PolarHBondContact OE2-NH1 2.89Å; E166-R240 IonicContact OE2-NH2 2.73Å; E166-R240 PolarHBondContact OE2-NH2 2.95Å
167	G	95.9	Very high	97.5	Very high	63 Å²	63	42.3 Å²	42.3	65%	0.649	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	-118.6	-174	0	0	0	0	0	112.1	Q165	Q165-G167 PolarHBondContact NE2-O 2.72Å
168	E	96.6	Very high	97.8	Very high	170 Å²	170	48.5 Å²	48.5	79%	0.794	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	12.8	179.9	-59.4	-167.6	162.4	0	0	113.4	E166 L243	E166-E168 PolarHBondContact O-N 3Å; E168-L243 WeakPolarHBondContact O-CB 3.39Å; E168-L243 PolarHBondContact O-N 3.47Å
169	E	98.3	Very high	98	Very high	73 Å²	73	46.4 Å²	46.4	34%	0.341	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.1	-179.7	-61.1	-176.3	146.7	0	0	112.4	Q165 E166 R240 I241	Q165-E169 WeakPolarHBondContact CA-O 3.24Å; E166-E169 PolarHBondContact N-O 3.15Å; E166-E169 PolarHBondContact O-N 2.99Å; E166-E169 VanDerWaalsContact O-N 3.11Å; E169-R240 WeakPolarHBondContact OE2-CD 3.48Å; E169-R240 IonicContact OE2-NH1 3.43Å; E169-R240 PolarHBondContact OE2-NH1 3.47Å; E169-I241 CarbonylContact C-O 3.56Å; E169-I241 VanDerWaalsContact CA-O 3.24Å; E169-I241 WeakPolarHBondContact CA-O 3.33Å
170	W	98.6	Very high	98.2	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.6	162.1	-65.4	99.8	0	0	0	109.4	A163 H164 Q165 L172 T194 F206 R240 I241 L243 M246	A163-W170 HydrophobicContact CB-CE3 4.14Å; H164-W170 CarbonylContact O-C 3.55Å; H164-W170 WeakPolarHBondContact O-CA 3.37Å; Q165-W170 HydrophobicContact CB-CD2 4.5Å; Q165-W170 HydrophobicContact CB-CE3 3.99Å; Q165-W170 HydrophobicContact CB-CH2 4.08Å; Q165-W170 HydrophobicContact CB-CZ3 3.77Å; W170-L172 HydrophobicContact CB-CD1 3.7Å; W170-T194 HydrophobicContact CE3-CG2 4.5Å; W170-T194 HydrophobicContact CH2-CG2 4.13Å; W170-T194 HydrophobicContact CZ3-CG2 3.75Å; W170-F206 HydrophobicContact CB-CE1 4.31Å; W170-F206 AromaticContact CD1-CE1 3.82Å; W170-F206 AromaticContact CD2-CE1 3.58Å; W170-F206 HydrophobicContact CD2-CE1 3.58Å; W170-F206 HydrophobicContact CD2-CZ 4.15Å; W170-F206 AromaticContact CE2-CE1 3.74Å; W170-F206 HydrophobicContact CE3-CE1 4.09Å; W170-F206 HydrophobicContact CE3-CZ 4.19Å; W170-F206 HydrophobicContact CG-CD1 4.24Å; W170-F206 AromaticContact CG-CE1 3.66Å; W170-F206 HydrophobicContact CG-CE1 3.66Å; W170-F206 HydrophobicContact CZ2-CE1 4.39Å; W170-F206 AromaticContact NE1-CE1 3.84Å; W170-R240 CarbonylContact O-C 3.55Å; W170-R240 WeakPolarHBondContact O-CA 3.45Å; W170-I241 HydrophobicContact CB-CD1 4.36Å; W170-I241 HydrophobicContact CB-CG1 3.77Å; W170-I241 PolarHBondContact N-O 3.26Å; W170-I241 PolarHBondContact O-N 3.37Å; W170-L243 HydrophobicContact CZ2-CD1 4.08Å; W170-L243 PolarHBondContact NE1-O 3Å; W170-M246 HydrophobicContact CH2-SD 4.38Å; W170-M246 HydrophobicContact CZ2-CE 4.32Å; W170-M246 HydrophobicContact CZ2-SD 3.69Å
171	L	98.7	Very high	98.3	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.2	170.2	-176.8	69.2	0	0	0	109.6	A163 H164 E166 D238 R240	A163-L171 WeakPolarHBondContact CA-O 3.49Å; H164-L171 PolarHBondContact N-O 3.02Å; H164-L171 PolarHBondContact O-N 3.06Å; E166-L171 WeakPolarHBondContact OE1-CD2 3.24Å; L171-D238 VanDerWaalsContact CD1-CA 3.49Å; L171-D238 HydrophobicContact CD1-CB 3.84Å; L171-R240 HydrophobicContact CD1-CG 3.64Å
172	L	98.8	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.3	-179.6	-71.2	82.8	0	0	0	112	T162 A163 W170 V190 A192 F206 I208 L236 C239 I241	T162-L172 VanDerWaalsContact O-CA 3.27Å; T162-L172 WeakPolarHBondContact O-CA 3.37Å; A163-L172 HydrophobicContact CB-CD1 4.41Å; A163-L172 HydrophobicContact CB-CG 3.94Å; W170-L172 HydrophobicContact CB-CD1 3.7Å; L172-V190 HydrophobicContact CD2-CG1 4.14Å; L172-A192 HydrophobicContact CD2-CB 4.3Å; L172-F206 HydrophobicContact CD2-CB 4.4Å; L172-F206 HydrophobicContact CD2-CD2 4.09Å; L172-F206 HydrophobicContact CD2-CG 4.23Å; L172-I208 HydrophobicContact CD2-CD1 3.98Å; L172-L236 HydrophobicContact CB-CD1 4.23Å; L172-L236 HydrophobicContact CD2-CD1 4.26Å; L172-C239 HydrophobicContact CB-CB 4.28Å; L172-C239 PolarHBondContact N-O 2.77Å; L172-C239 PolarHBondContact O-N 3.38Å; L172-C239 VanDerWaalsContact O-N 3.08Å; L172-I241 HydrophobicContact CD1-CD1 3.6Å; L172-I241 HydrophobicContact CD1-CG1 3.7Å
173	N	98.9	Very high	98.3	Very high	50 Å²	50	48.7 Å²	48.7	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132	178.1	-86.9	-69.5	0	0	0	111.2	T161 T162 L236 D238	T161-N173 CarbonylContact C-O 3.53Å; T161-N173 VanDerWaalsContact CA-O 3.31Å; T161-N173 WeakPolarHBondContact CA-O 3.23Å; T161-N173 WeakPolarHBondContact CG2-O 3.31Å; T162-N173 PolarHBondContact N-O 3.11Å; T162-N173 PolarHBondContact O-N 2.86Å; T162-N173 VanDerWaalsContact O-N 3.13Å; N173-L236 CarbonylContact C-O 3.58Å; N173-L236 WeakPolarHBondContact CA-O 3.21Å; N173-D238 PolarHBondContact ND2-OD1 3.17Å; N173-D238 PolarHBondContact OD1-N 3.27Å
174	G	98.6	Very high	98.2	Very high	23 Å²	23	50.6 Å²	50.6	24%	0.237	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.7	-167.5	174.8	0	0	0	0	0	114	L236	G174-L236 PolarHBondContact N-O 2.9Å; G174-L236 PolarHBondContact O-N 3.38Å
175	T	98.8	Very high	98.3	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.3	-178.4	-55.3	0	0	0	0	110.3	E149 P150 T161 N233 I234 I235	E149-T175 WeakPolarHBondContact CG-O 3.41Å; P150-T175 WeakPolarHBondContact CD-O 3.32Å; P150-T175 HydrophobicContact CG-CG2 4.17Å; T161-T175 PolarHBondContact OG1-N 3.35Å; T175-N233 HydrophobicContact CG2-CB 4.06Å; T175-I234 WeakPolarHBondContact CA-O 3.45Å; T175-I235 HydrophobicContact CG2-CG1 4.13Å
176	K	98.9	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.1	168.9	-46.3	-55.5	-58.4	-169.3	0	108.5	A146 L147 S148 E149 T161 I179 F191 N233 I234	A146-K176 HydrophobicContact CB-CB 3.99Å; A146-K176 HydrophobicContact CB-CG 3.93Å; A146-K176 WeakPolarHBondContact O-CE 3.3Å; L147-K176 WeakPolarHBondContact O-CE 3.36Å; L147-K176 PolarHBondContact O-NZ 3.44Å; S148-K176 CarbonylContact O-C 3.55Å; S148-K176 VanDerWaalsContact O-CA 3.29Å; S148-K176 WeakPolarHBondContact O-CA 3.27Å; S148-K176 WeakPolarHBondContact O-CE 3.4Å; E149-K176 HydrophobicContact CG-CD 4.07Å; E149-K176 IonicContact OE1-NZ 2.79Å; E149-K176 PolarHBondContact OE1-NZ 3.32Å; T161-K176 HydrophobicContact CG2-CD 4.26Å; T161-K176 WeakPolarHBondContact OG1-CD 3.49Å; K176-I179 HydrophobicContact CB-CD1 4.05Å; K176-I179 HydrophobicContact CB-CG1 4.14Å; K176-F191 PolarHBondContact NZ-O 3.01Å; K176-N233 CarbonylContact O-C 3.59Å; K176-N233 WeakPolarHBondContact O-CA 3.18Å; K176-N233 WeakPolarHBondContact O-CB 3.36Å; K176-I234 HydrophobicContact CB-CB 4.32Å; K176-I234 PolarHBondContact N-O 3.06Å; K176-I234 PolarHBondContact O-N 3.42Å
177	A	98.6	Very high	98.4	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.7	-174.8	0	0	0	0	0	112.3	S148 P150 I179 N233	S148-A177 WeakPolarHBondContact CB-O 3.21Å; S148-A177 PolarHBondContact O-N 3.14Å; P150-A177 HydrophobicContact CG-CB 4Å; A177-I179 VanDerWaalsContact O-CD1 3.27Å; A177-I179 WeakPolarHBondContact O-CD1 3.5Å; A177-N233 WeakPolarHBondContact CA-OD1 3.45Å; A177-N233 VanDerWaalsContact CB-OD1 3.29Å; A177-N233 WeakPolarHBondContact CB-OD1 3.21Å
178	W	98.6	Very high	98.6	Very high	147 Å²	147	36.4 Å²	36.4	56%	0.557	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	66.6	36.7	176.8	-44.5	106.9	0	0	0	114.2	T180 E221 T231	W178-T180 PolarHBondContact O-N 2.68Å; W178-E221 HydrophobicContact CE3-CG 4.2Å; W178-E221 HydrophobicContact CZ3-CG 3.91Å; W178-T231 HydrophobicContact CB-CG2 4.37Å; W178-T231 HydrophobicContact CE3-CG2 4.34Å
179	I	98.9	Very high	98.7	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105.5	-171.9	-49.5	-47.8	0	0	0	110.8	C144 A146 K176 A177 S182 T231 A232 I234	C144-I179 HydrophobicContact CB-CG2 3.81Å; A146-I179 HydrophobicContact CB-CD1 3.85Å; A146-I179 HydrophobicContact CB-CG1 4.19Å; A146-I179 HydrophobicContact CB-CG2 4.48Å; K176-I179 HydrophobicContact CB-CD1 4.05Å; K176-I179 HydrophobicContact CB-CG1 4.14Å; A177-I179 VanDerWaalsContact O-CD1 3.27Å; A177-I179 WeakPolarHBondContact O-CD1 3.5Å; I179-S182 WeakPolarHBondContact O-CB 3.27Å; I179-S182 PolarHBondContact O-N 3.37Å; I179-S182 PolarHBondContact O-OG 3.3Å; I179-T231 WeakPolarHBondContact O-CA 3.31Å; I179-A232 WeakPolarHBondContact CB-O 3.41Å; I179-A232 PolarHBondContact N-O 3.04Å; I179-A232 PolarHBondContact O-N 2.73Å; I179-I234 HydrophobicContact CB-CD1 4.19Å; I179-I234 HydrophobicContact CB-CG1 4.24Å; I179-I234 HydrophobicContact CG1-CD1 4.12Å; I179-I234 HydrophobicContact CG1-CG1 4.01Å; I179-I234 HydrophobicContact CG2-CD1 3.77Å; I179-I234 HydrophobicContact CG2-CG1 4.36Å
180	T	98.8	Very high	98.7	Very high	21 Å²	21	24.8 Å²	24.8	13%	0.129	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	143.3	172.2	-54.6	0	0	0	0	111.1	V107 V111 C144 W178 S182 S230	V107-T180 HydrophobicContact CG1-CG2 4.4Å; V107-T180 HydrophobicContact CG2-CG2 4.22Å; V111-T180 HydrophobicContact CG2-CG2 3.89Å; C144-T180 WeakPolarHBondContact CB-O 3.45Å; W178-T180 PolarHBondContact O-N 2.68Å; T180-S182 PolarHBondContact O-N 3.48Å; T180-S230 CarbonylContact C-O 3.51Å; T180-S230 VanDerWaalsContact CA-O 3.26Å; T180-S230 WeakPolarHBondContact CA-O 3.44Å
181	N	98.6	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	2.4	-174.9	-58.5	-11.4	0	0	0	114.8	V108 V111 V142 G143 C144 W183 D184 A185 S230	V108-N181 WeakPolarHBondContact CG2-OD1 3.34Å; V111-N181 WeakPolarHBondContact CG1-ND2 3.3Å; V142-N181 HydrophobicContact CG2-CB 4.36Å; G143-N181 PolarHBondContact O-ND2 2.85Å; G143-N181 VanDerWaalsContact O-ND2 3.1Å; C144-N181 HydrophobicContact CB-CB 4.14Å; N181-W183 PolarHBondContact O-N 3.09Å; N181-D184 CarbonylContact O-C 3.57Å; N181-D184 PolarHBondContact O-N 3.25Å; N181-A185 HydrophobicContact CB-CB 4.31Å; N181-A185 WeakPolarHBondContact O-CB 3.13Å; N181-A185 PolarHBondContact O-N 3.46Å; N181-S230 VanDerWaalsContact CA-OG 3.3Å; N181-S230 WeakPolarHBondContact CA-OG 3.36Å; N181-S230 PolarHBondContact N-O 3.36Å
182	S	98.2	Very high	98.7	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.2	-172.9	42.5	0	0	0	0	115.4	I179 T180 M210 L217 S230 A232	I179-S182 WeakPolarHBondContact O-CB 3.27Å; I179-S182 PolarHBondContact O-N 3.37Å; I179-S182 PolarHBondContact O-OG 3.3Å; T180-S182 PolarHBondContact O-N 3.48Å; S182-M210 VanDerWaalsContact O-CE 3.29Å; S182-M210 WeakPolarHBondContact O-CE 3.18Å; S182-L217 VanDerWaalsContact O-CD1 3.26Å; S182-L217 WeakPolarHBondContact O-CD1 3.5Å; S182-S230 PolarHBondContact N-OG 2.98Å; S182-A232 WeakPolarHBondContact OG-CB 3.5Å; S182-A232 PolarHBondContact OG-N 3.44Å; S182-A232 VanDerWaalsContact OG-N 3.13Å
183	W	98.5	Very high	98.7	Very high	121 Å²	121	24.2 Å²	24.2	46%	0.458	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.5	179.6	-82.8	72.7	0	0	0	114.3	N181 L217 G218 K220 S230	N181-W183 PolarHBondContact O-N 3.09Å; W183-L217 HydrophobicContact CD2-CD1 4.15Å; W183-L217 HydrophobicContact CG-CD1 4.11Å; W183-L217 HydrophobicContact CZ2-CB 4.44Å; W183-G218 WeakPolarHBondContact CZ2-O 3.5Å; W183-G218 PolarHBondContact NE1-O 3.26Å; W183-K220 VanDerWaalsContact CB-CE 3.45Å; W183-K220 HydrophobicContact CD2-CD 4.44Å; W183-K220 HydrophobicContact CD2-CG 3.97Å; W183-K220 HydrophobicContact CG-CD 4.24Å; W183-K220 VanDerWaalsContact CG-CE 3.43Å; W183-K220 HydrophobicContact CG-CG 3.76Å; W183-S230 PolarHBondContact N-OG 3.49Å
184	D	98.3	Very high	98.7	Very high	40 Å²	40	22.4 Å²	22.4	21%	0.214	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-11.8	-174.9	-46	-72	0	0	0	111.3	Y59 V142 N181 S230	Y59-D184 WeakPolarHBondContact CB-OD1 3.11Å; Y59-D184 HydrophobicContact CD1-CB 4.23Å; Y59-D184 HydrophobicContact CD2-CB 4.02Å; Y59-D184 VanDerWaalsContact CD2-CG 3.48Å; Y59-D184 WeakPolarHBondContact CD2-OD2 3.48Å; Y59-D184 HydrophobicContact CE1-CB 4.09Å; Y59-D184 HydrophobicContact CE2-CB 3.85Å; Y59-D184 HydrophobicContact CG-CB 4.19Å; V142-D184 HydrophobicContact CG2-CB 4.41Å; V142-D184 WeakPolarHBondContact CG2-O 3.06Å; N181-D184 CarbonylContact O-C 3.57Å; N181-D184 PolarHBondContact O-N 3.25Å; D184-S230 WeakPolarHBondContact OD2-CB 3.3Å; D184-S230 PolarHBondContact OD2-OG 2.87Å
185	A	98.5	Very high	98.6	Very high	11 Å²	11	24.2 Å²	24.2	9%	0.091	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	142.7	-175.5	0	0	0	0	0	112.7	V142 C144 N181 M210	V142-A185 CarbonylContact O-C 3.27Å; V142-A185 WeakPolarHBondContact O-CA 3.15Å; V142-A185 WeakPolarHBondContact O-CB 3.19Å; C144-A185 HydrophobicContact CB-CB 3.96Å; N181-A185 HydrophobicContact CB-CB 4.31Å; N181-A185 WeakPolarHBondContact O-CB 3.13Å; N181-A185 PolarHBondContact O-N 3.46Å; A185-M210 HydrophobicContact CB-SD 4.24Å; A185-M210 WeakPolarHBondContact O-CB 3.25Å
186	S	98.8	Very high	98.3	Very high	36 Å²	36	27.8 Å²	27.8	25%	0.252	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-4.2	173.3	-50.7	0	0	0	0	113.5	K141 V142 M210	K141-S186 WeakPolarHBondContact CG-OG 3.47Å; V142-S186 PolarHBondContact O-N 3.1Å; S186-M210 WeakPolarHBondContact CA-O 3.47Å; S186-M210 PolarHBondContact O-N 3.39Å
187	A	98.9	Very high	98.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	162.7	172.9	0	0	0	0	0	111.7	Y116 W132 F136 G143 C144 I208	Y116-A187 HydrophobicContact CE2-CB 3.74Å; Y116-A187 WeakPolarHBondContact OH-CB 3.24Å; W132-A187 HydrophobicContact CE3-CB 4.15Å; W132-A187 HydrophobicContact CZ3-CB 4.09Å; F136-A187 HydrophobicContact CE1-CB 3.92Å; F136-A187 HydrophobicContact CE2-CB 4.39Å; F136-A187 HydrophobicContact CZ-CB 3.47Å; F136-A187 VanDerWaalsContact CZ-CB 3.47Å; G143-A187 WeakPolarHBondContact CA-O 3.28Å; C144-A187 PolarHBondContact N-O 3.02Å; A187-I208 CarbonylContact C-O 3.5Å; A187-I208 VanDerWaalsContact CA-O 3.23Å; A187-I208 WeakPolarHBondContact CA-O 3.42Å
188	T	98.9	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.2	179.2	-171.6	0	0	0	0	112.3	C144 V190 I208 M210 L215 I234	C144-T188 WeakPolarHBondContact O-CA 3.21Å; C144-T188 WeakPolarHBondContact SG-CB 3.26Å; C144-T188 PolarHBondContact SG-OG1 2.93Å; T188-V190 HydrophobicContact CG2-CG2 3.48Å; T188-V190 VanDerWaalsContact CG2-CG2 3.48Å; T188-I208 HydrophobicContact CG2-CB 3.87Å; T188-I208 HydrophobicContact CG2-CG1 4.42Å; T188-I208 PolarHBondContact N-O 2.93Å; T188-I208 PolarHBondContact O-N 2.86Å; T188-M210 HydrophobicContact CG2-CG 4.24Å; T188-M210 HydrophobicContact CG2-SD 3.82Å; T188-L215 HydrophobicContact CG2-CD1 4.33Å; T188-I234 HydrophobicContact CG2-CD1 4.48Å
189	V	98.9	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	108.2	162.5	-174.7	0	0	0	0	108	Y116 P119 I120 C144 F145 A146 F191 F206 L207 L247	Y116-V189 HydrophobicContact CD2-CG2 3.91Å; Y116-V189 HydrophobicContact CE2-CG2 4.32Å; P119-V189 HydrophobicContact CG-CG2 4.24Å; I120-V189 HydrophobicContact CD1-CG2 4.41Å; I120-V189 HydrophobicContact CG1-CG2 4.42Å; C144-V189 PolarHBondContact O-N 3.49Å; F145-V189 HydrophobicContact CD2-CB 4.19Å; F145-V189 HydrophobicContact CD2-CG1 4.46Å; A146-V189 PolarHBondContact N-O 3.4Å; V189-F191 HydrophobicContact CG1-CE2 3.78Å; V189-F191 HydrophobicContact CG1-CZ 3.81Å; V189-F206 CarbonylContact C-O 3.51Å; V189-F206 WeakPolarHBondContact CA-O 3.37Å; V189-L207 HydrophobicContact CG2-CD2 3.83Å; V189-L247 HydrophobicContact CG1-CD2 4.31Å
190	V	98.9	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.4	-178.1	171.3	0	0	0	0	110.7	A146 L172 T188 A205 F206 I208 L236	A146-V190 HydrophobicContact CB-CG2 3.86Å; L172-V190 HydrophobicContact CD2-CG1 4.14Å; T188-V190 HydrophobicContact CG2-CG2 3.48Å; T188-V190 VanDerWaalsContact CG2-CG2 3.48Å; V190-A205 CarbonylContact O-C 3.06Å; V190-A205 WeakPolarHBondContact O-CA 3.45Å; V190-F206 PolarHBondContact N-O 2.82Å; V190-F206 PolarHBondContact O-N 2.91Å; V190-I208 HydrophobicContact CB-CD1 4.15Å; V190-I208 HydrophobicContact CG2-CD1 3.88Å; V190-I208 HydrophobicContact CG2-CG1 4.34Å; V190-L236 HydrophobicContact CG1-CD1 3.94Å
191	F	98.9	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	172.7	-61.6	-92.9	0	0	0	110.5	F145 A146 L147 K176 V189 I203 S204 A205 G253 I256 A257	F145-F191 AromaticContact CD2-CE2 3.75Å; F145-F191 HydrophobicContact CD2-CE2 3.75Å; F145-F191 HydrophobicContact CD2-CZ 4.31Å; F145-F191 HydrophobicContact CE1-CE2 4.04Å; F145-F191 HydrophobicContact CE2-CD2 4.32Å; F145-F191 AromaticContact CE2-CE2 3.14Å; F145-F191 HydrophobicContact CE2-CE2 3.14Å; F145-F191 AromaticContact CE2-CZ 3.4Å; F145-F191 HydrophobicContact CE2-CZ 3.4Å; F145-F191 VanDerWaalsContact CE2-CZ 3.4Å; F145-F191 HydrophobicContact CG-CE2 4.45Å; F145-F191 HydrophobicContact CZ-CD2 4.16Å; F145-F191 AromaticContact CZ-CE2 3.29Å; F145-F191 HydrophobicContact CZ-CE2 3.29Å; F145-F191 AromaticContact CZ-CZ 3.67Å; F145-F191 HydrophobicContact CZ-CZ 3.67Å; A146-F191 PolarHBondContact O-N 3.21Å; L147-F191 HydrophobicContact CB-CD2 4.01Å; L147-F191 HydrophobicContact CD1-CB 3.79Å; L147-F191 HydrophobicContact CD1-CD1 4.48Å; L147-F191 HydrophobicContact CD1-CD2 3.95Å; L147-F191 HydrophobicContact CD1-CG 3.79Å; K176-F191 PolarHBondContact NZ-O 3.01Å; V189-F191 HydrophobicContact CG1-CE2 3.78Å; V189-F191 HydrophobicContact CG1-CZ 3.81Å; F191-I203 HydrophobicContact CB-CG2 4.03Å; F191-I203 HydrophobicContact CD1-CG2 4.32Å; F191-S204 WeakPolarHBondContact CA-O 3.43Å; F191-A205 HydrophobicContact CD1-CB 3.96Å; F191-A205 HydrophobicContact CE1-CB 3.61Å; F191-A205 HydrophobicContact CZ-CB 4.21Å; F191-G253 WeakPolarHBondContact CD1-O 3.47Å; F191-G253 WeakPolarHBondContact CE1-O 3.31Å; F191-I256 HydrophobicContact CE1-CB 4.28Å; F191-I256 HydrophobicContact CE1-CG2 4.08Å; F191-I256 HydrophobicContact CZ-CG2 4.21Å; F191-A257 HydrophobicContact CD1-CB 3.98Å; F191-A257 HydrophobicContact CE1-CB 3.61Å; F191-A257 HydrophobicContact CE2-CB 4.43Å; F191-A257 HydrophobicContact CZ-CB 3.87Å
192	A	98.8	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.2	-178.5	0	0	0	0	0	110.7	T161 A163 L172 I203 S204 F206	T161-A192 HydrophobicContact CG2-CB 3.76Å; T161-A192 CarbonylContact O-C 3.53Å; T161-A192 WeakPolarHBondContact O-CA 3.38Å; T161-A192 WeakPolarHBondContact O-CB 3.24Å; A163-A192 HydrophobicContact CB-CB 3.93Å; L172-A192 HydrophobicContact CD2-CB 4.3Å; A192-I203 WeakPolarHBondContact O-CA 3.36Å; A192-S204 PolarHBondContact N-O 3.46Å; A192-S204 VanDerWaalsContact N-O 3.1Å; A192-S204 PolarHBondContact O-N 3.4Å; A192-F206 HydrophobicContact CB-CD2 4.21Å; A192-F206 HydrophobicContact CB-CE2 3.95Å
193	T	98.4	Very high	97.6	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126	177.6	-170.7	0	0	0	0	111.4	T161 T162 A163 D195 K196	T161-T193 WeakPolarHBondContact O-CG2 3.39Å; T161-T193 PolarHBondContact O-N 3.06Å; T162-T193 WeakPolarHBondContact CA-O 3.35Å; T162-T193 HydrophobicContact CG2-CG2 4.07Å; A163-T193 PolarHBondContact N-O 3.22Å; T193-D195 VanDerWaalsContact OG1-C 3.25Å; T193-D195 PolarHBondContact OG1-N 3.48Å; T193-D195 PolarHBondContact OG1-O 2.95Å; T193-K196 HydrophobicContact CG2-CD 4.28Å; T193-K196 HydrophobicContact CG2-CG 3.47Å; T193-K196 VanDerWaalsContact CG2-CG 3.47Å; T193-K196 PolarHBondContact OG1-N 3.28Å
194	T	98.3	Very high	97.6	Very high	12 Å²	12	45.6 Å²	45.6	7%	0.074	22%	0.217	C	C	.	.	S	Bend	trans	-95.1	-7.6	172	65.3	0	0	0	0	112.7	A163 W170 G202 S204 F206 R250	A163-T194 HydrophobicContact CB-CG2 4.07Å; A163-T194 WeakPolarHBondContact O-CA 3.41Å; W170-T194 HydrophobicContact CE3-CG2 4.5Å; W170-T194 HydrophobicContact CH2-CG2 4.13Å; W170-T194 HydrophobicContact CZ3-CG2 3.75Å; T194-G202 PolarHBondContact N-O 2.97Å; T194-G202 PolarHBondContact OG1-O 3.33Å; T194-S204 WeakPolarHBondContact CG2-OG 3.34Å; T194-F206 HydrophobicContact CG2-CE2 4.46Å; T194-F206 HydrophobicContact CG2-CZ 3.89Å; T194-R250 HydrophobicContact CG2-CG 4.41Å; T194-R250 PolarHBondContact O-NH2 2.68Å; T194-R250 PolarHBondContact OG1-NE 3.14Å; T194-R250 VanDerWaalsContact OG1-NE 3.15Å
195	D	96.9	Very high	97.6	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	21%	0.207	S	C	.	.			trans	-160.2	105.9	169.5	-174	-12.6	0	0	0	110.3	T193 K197 L198	T193-D195 VanDerWaalsContact OG1-C 3.25Å; T193-D195 PolarHBondContact OG1-N 3.48Å; T193-D195 PolarHBondContact OG1-O 2.95Å; D195-K197 PolarHBondContact O-N 3.4Å; D195-K197 VanDerWaalsContact OD1-CB 3.28Å; D195-K197 WeakPolarHBondContact OD1-CB 3.21Å; D195-K197 PolarHBondContact OD1-N 2.88Å; D195-L198 HydrophobicContact CB-CB 4.45Å; D195-L198 HydrophobicContact CB-CD1 4.01Å; D195-L198 HydrophobicContact CB-CG 4.11Å; D195-L198 PolarHBondContact O-N 3.45Å
196	K	93.2	Very high	97.7	Very high	124 Å²	124	43.2 Å²	43.2	54%	0.539	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-61	-28.4	179.2	-72.3	-170.9	177.6	-176.5	0	113.2	S160 T162 T193 L198 K199	S160-K196 WeakPolarHBondContact O-CE 3.32Å; S160-K196 PolarHBondContact O-NZ 2.79Å; S160-K196 VanDerWaalsContact O-NZ 3.11Å; T162-K196 VanDerWaalsContact CG2-CE 3.42Å; T193-K196 HydrophobicContact CG2-CD 4.28Å; T193-K196 HydrophobicContact CG2-CG 3.47Å; T193-K196 VanDerWaalsContact CG2-CG 3.47Å; T193-K196 PolarHBondContact OG1-N 3.28Å; K196-L198 PolarHBondContact O-N 2.51Å; K196-K199 PolarHBondContact O-N 2.91Å
197	K	95.5	Very high	97.7	Very high	189 Å²	189	41.5 Å²	41.5	82%	0.822	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-67	-26.6	-178.4	-61.1	176.9	-179.7	175	0	111.8	D195 K199	D195-K197 PolarHBondContact O-N 3.4Å; D195-K197 VanDerWaalsContact OD1-CB 3.28Å; D195-K197 WeakPolarHBondContact OD1-CB 3.21Å; D195-K197 PolarHBondContact OD1-N 2.88Å; K197-K199 VanDerWaalsContact C-N 3.3Å
198	L	95.9	Very high	97.7	Very high	93 Å²	93	41.4 Å²	41.4	49%	0.487	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-85.7	1.1	179.9	-61	-179	0	0	0	113.5	D195 K196 H200 K201	D195-L198 HydrophobicContact CB-CB 4.45Å; D195-L198 HydrophobicContact CB-CD1 4.01Å; D195-L198 HydrophobicContact CB-CG 4.11Å; D195-L198 PolarHBondContact O-N 3.45Å; K196-L198 PolarHBondContact O-N 2.51Å; L198-H200 PolarHBondContact O-N 2.91Å; L198-K201 HydrophobicContact CB-CB 4.23Å; L198-K201 WeakPolarHBondContact O-CB 3.41Å; L198-K201 PolarHBondContact O-N 3.07Å
199	K	95	Very high	97.7	Very high	159 Å²	159	43.2 Å²	43.2	69%	0.691	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	51.2	-132.3	-177.9	-56.4	-177	177.8	-176	0	110.4	K196 K197 K201 G202	K196-K199 PolarHBondContact O-N 2.91Å; K197-K199 VanDerWaalsContact C-N 3.3Å; K199-K201 PolarHBondContact O-N 2.92Å; K199-K201 VanDerWaalsContact O-N 3.08Å; K199-G202 PolarHBondContact O-N 3.43Å
200	H	95.4	Very high	97.6	Very high	82 Å²	82	44.1 Å²	44.1	38%	0.38	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.1	-24.9	178.3	70	-94.5	0	0	0	114.1	L198 G202 I203 F254	L198-H200 PolarHBondContact O-N 2.91Å; H200-G202 VanDerWaalsContact C-N 3.26Å; H200-G202 PolarHBondContact O-N 2.83Å; H200-I203 PolarHBondContact O-N 2.97Å; H200-F254 HydrophobicContact CB-CB 4.23Å; H200-F254 HydrophobicContact CB-CD1 3.99Å; H200-F254 HydrophobicContact CB-CD2 3.96Å; H200-F254 HydrophobicContact CB-CE1 4.33Å; H200-F254 HydrophobicContact CB-CE2 4.31Å; H200-F254 HydrophobicContact CB-CG 3.79Å; H200-F254 HydrophobicContact CB-CZ 4.48Å; H200-F254 AromaticContact CD2-CD1 3.93Å; H200-F254 VanDerWaalsContact O-CB 3.24Å; H200-F254 WeakPolarHBondContact O-CB 3.47Å
201	K	97.4	Very high	97.6	Very high	143 Å²	143	50 Å²	50	62%	0.622	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-77.3	-11.8	176.6	-58.7	-176.3	178.5	179.4	0	113.2	L198 K199 G251	L198-K201 HydrophobicContact CB-CB 4.23Å; L198-K201 WeakPolarHBondContact O-CB 3.41Å; L198-K201 PolarHBondContact O-N 3.07Å; K199-K201 PolarHBondContact O-N 2.92Å; K199-K201 VanDerWaalsContact O-N 3.08Å; K201-G251 VanDerWaalsContact O-CA 3.3Å; K201-G251 WeakPolarHBondContact O-CA 3.37Å
202	G	97.6	Very high	97.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-88.8	-8	175.1	0	0	0	0	0	114	T194 K199 H200	T194-G202 PolarHBondContact N-O 2.97Å; T194-G202 PolarHBondContact OG1-O 3.33Å; K199-G202 PolarHBondContact O-N 3.43Å; H200-G202 VanDerWaalsContact C-N 3.26Å; H200-G202 PolarHBondContact O-N 2.83Å
203	I	98.7	Very high	97.6	Very high	2 Å²	2	58 Å²	58	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.6	-175.8	-59.3	177.3	0	0	0	110.3	A159 F191 A192 H200 G251 G253 F254	A159-I203 HydrophobicContact CB-CD1 3.98Å; A159-I203 HydrophobicContact CB-CG1 4.42Å; F191-I203 HydrophobicContact CB-CG2 4.03Å; F191-I203 HydrophobicContact CD1-CG2 4.32Å; A192-I203 WeakPolarHBondContact O-CA 3.36Å; H200-I203 PolarHBondContact O-N 2.97Å; I203-G251 CarbonylContact O-C 3.54Å; I203-G251 WeakPolarHBondContact O-CA 3.36Å; I203-G253 VanDerWaalsContact O-CA 3.26Å; I203-G253 WeakPolarHBondContact O-CA 3.32Å; I203-G253 PolarHBondContact O-N 2.9Å; I203-F254 HydrophobicContact CB-CB 4.35Å; I203-F254 HydrophobicContact CD1-CB 4.43Å; I203-F254 HydrophobicContact CD1-CD2 4.23Å
204	S	98.9	Very high	97.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	161.7	172.1	-63.5	0	0	0	0	110.4	F191 A192 T194 G251	F191-S204 WeakPolarHBondContact CA-O 3.43Å; A192-S204 PolarHBondContact N-O 3.46Å; A192-S204 VanDerWaalsContact N-O 3.1Å; A192-S204 PolarHBondContact O-N 3.4Å; T194-S204 WeakPolarHBondContact CG2-OG 3.34Å; S204-G251 PolarHBondContact OG-N 3.1Å
205	A	98.9	Very high	97.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.2	176.8	0	0	0	0	0	110.2	V190 F191 M246 L247 I256	V190-A205 CarbonylContact O-C 3.06Å; V190-A205 WeakPolarHBondContact O-CA 3.45Å; F191-A205 HydrophobicContact CD1-CB 3.96Å; F191-A205 HydrophobicContact CE1-CB 3.61Å; F191-A205 HydrophobicContact CZ-CB 4.21Å; A205-M246 WeakPolarHBondContact O-CA 3.5Å; A205-L247 HydrophobicContact CB-CB 4.04Å; A205-L247 HydrophobicContact CB-CD2 4.5Å; A205-L247 PolarHBondContact O-N 3.44Å; A205-I256 HydrophobicContact CB-CD1 4.16Å; A205-I256 HydrophobicContact CB-CG2 4.44Å
206	F	98.9	Very high	97.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.8	-174.4	-59.3	-83	0	0	0	111	A163 W170 L172 V189 V190 A192 T194 I241 N245 M246	A163-F206 HydrophobicContact CB-CD2 4.47Å; A163-F206 HydrophobicContact CB-CE1 4.29Å; A163-F206 HydrophobicContact CB-CE2 3.55Å; A163-F206 HydrophobicContact CB-CZ 3.43Å; A163-F206 VanDerWaalsContact CB-CZ 3.43Å; W170-F206 HydrophobicContact CB-CE1 4.31Å; W170-F206 AromaticContact CD1-CE1 3.82Å; W170-F206 AromaticContact CD2-CE1 3.58Å; W170-F206 HydrophobicContact CD2-CE1 3.58Å; W170-F206 HydrophobicContact CD2-CZ 4.15Å; W170-F206 AromaticContact CE2-CE1 3.74Å; W170-F206 HydrophobicContact CE3-CE1 4.09Å; W170-F206 HydrophobicContact CE3-CZ 4.19Å; W170-F206 HydrophobicContact CG-CD1 4.24Å; W170-F206 AromaticContact CG-CE1 3.66Å; W170-F206 HydrophobicContact CG-CE1 3.66Å; W170-F206 HydrophobicContact CZ2-CE1 4.39Å; W170-F206 AromaticContact NE1-CE1 3.84Å; L172-F206 HydrophobicContact CD2-CB 4.4Å; L172-F206 HydrophobicContact CD2-CD2 4.09Å; L172-F206 HydrophobicContact CD2-CG 4.23Å; V189-F206 CarbonylContact C-O 3.51Å; V189-F206 WeakPolarHBondContact CA-O 3.37Å; V190-F206 PolarHBondContact N-O 2.82Å; V190-F206 PolarHBondContact O-N 2.91Å; A192-F206 HydrophobicContact CB-CD2 4.21Å; A192-F206 HydrophobicContact CB-CE2 3.95Å; T194-F206 HydrophobicContact CG2-CE2 4.46Å; T194-F206 HydrophobicContact CG2-CZ 3.89Å; F206-I241 HydrophobicContact CB-CD1 3.78Å; F206-I241 HydrophobicContact CD1-CD1 3.86Å; F206-I241 HydrophobicContact CG-CD1 4.11Å; F206-N245 CarbonylContact C-O 3.59Å; F206-N245 WeakPolarHBondContact CA-O 3.39Å; F206-M246 HydrophobicContact CD1-CB 4.23Å; F206-M246 HydrophobicContact CD1-CG 4.45Å; F206-M246 HydrophobicContact CE1-CB 4.17Å; F206-M246 HydrophobicContact CE1-CG 4.13Å
207	L	98.9	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.5	174.1	-56.2	177.4	0	0	0	108.7	I120 Q128 W132 V189 N245 L247	I120-L207 HydrophobicContact CD1-CD2 4Å; I120-L207 HydrophobicContact CG1-CD2 3.87Å; Q128-L207 HydrophobicContact CB-CD1 4.49Å; Q128-L207 HydrophobicContact CG-CD1 4.4Å; W132-L207 HydrophobicContact CB-CD1 4.25Å; W132-L207 VanDerWaalsContact CD1-CD1 3.49Å; W132-L207 HydrophobicContact CD2-CB 4Å; W132-L207 HydrophobicContact CD2-CD1 3.91Å; W132-L207 HydrophobicContact CE3-CB 4.1Å; W132-L207 HydrophobicContact CG-CD1 3.66Å; W132-L207 HydrophobicContact CH2-CB 4.09Å; W132-L207 HydrophobicContact CZ2-CB 3.98Å; W132-L207 HydrophobicContact CZ3-CB 4.14Å; V189-L207 HydrophobicContact CG2-CD2 3.83Å; L207-N245 PolarHBondContact N-O 3.43Å; L207-N245 VanDerWaalsContact O-CB 3.31Å; L207-N245 WeakPolarHBondContact O-CB 3.37Å; L207-N245 PolarHBondContact O-ND2 3.13Å; L207-L247 HydrophobicContact CD2-CB 4.48Å; L207-L247 HydrophobicContact CD2-CD2 4.35Å; L207-L247 HydrophobicContact CG-CB 4.32Å
208	I	98.8	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.5	179.5	-43.7	-174	0	0	0	107.8	L172 A187 T188 V190 Y212 L215 L236 I241	L172-I208 HydrophobicContact CD2-CD1 3.98Å; A187-I208 CarbonylContact C-O 3.5Å; A187-I208 VanDerWaalsContact CA-O 3.23Å; A187-I208 WeakPolarHBondContact CA-O 3.42Å; T188-I208 HydrophobicContact CG2-CB 3.87Å; T188-I208 HydrophobicContact CG2-CG1 4.42Å; T188-I208 PolarHBondContact N-O 2.93Å; T188-I208 PolarHBondContact O-N 2.86Å; V190-I208 HydrophobicContact CB-CD1 4.15Å; V190-I208 HydrophobicContact CG2-CD1 3.88Å; V190-I208 HydrophobicContact CG2-CG1 4.34Å; I208-Y212 HydrophobicContact CG2-CD1 4Å; I208-Y212 HydrophobicContact CG2-CG 4.19Å; I208-L215 HydrophobicContact CB-CD1 4.35Å; I208-L215 HydrophobicContact CG2-CD1 3.78Å; I208-L236 HydrophobicContact CD1-CD2 4.15Å; I208-I241 HydrophobicContact CD1-CD1 4.41Å; I208-I241 HydrophobicContact CD1-CG2 4.41Å; I208-I241 HydrophobicContact CG1-CD1 4.13Å; I208-I241 HydrophobicContact CG1-CG2 4.2Å; I208-I241 HydrophobicContact CG2-CG2 3.98Å
209	P	98.6	Very high	98.2	Very high	38 Å²	38	51.4 Å²	51.4	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	163	172.5	35.1	-34	0	0	0	109.3	W132 Y212	W132-P209 HydrophobicContact CH2-CB 4.39Å; W132-P209 HydrophobicContact CH2-CG 4.48Å; W132-P209 HydrophobicContact CZ3-CB 4.27Å; P209-Y212 HydrophobicContact CG-CD2 3.27Å; P209-Y212 HydrophobicContact CG-CE2 3.68Å; P209-Y212 HydrophobicContact CG-CG 3.92Å; P209-Y212 VanDerWaalsContact O-CB 3.32Å; P209-Y212 WeakPolarHBondContact O-CB 3.37Å
210	M	98.5	Very high	98.4	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.089	26%	0.261	C	S	.	.	S	Bend	trans	-136.4	127.7	179.5	-65.2	174.4	65.4	0	0	109.1	S182 A185 S186 T188 L215 L217 I234	S182-M210 VanDerWaalsContact O-CE 3.29Å; S182-M210 WeakPolarHBondContact O-CE 3.18Å; A185-M210 HydrophobicContact CB-SD 4.24Å; A185-M210 WeakPolarHBondContact O-CB 3.25Å; S186-M210 WeakPolarHBondContact CA-O 3.47Å; S186-M210 PolarHBondContact O-N 3.39Å; T188-M210 HydrophobicContact CG2-CG 4.24Å; T188-M210 HydrophobicContact CG2-SD 3.82Å; M210-L215 HydrophobicContact CE-CD2 4.3Å; M210-L215 HydrophobicContact CG-CD1 4.11Å; M210-L215 HydrophobicContact CG-CD2 4.3Å; M210-L217 HydrophobicContact CE-CD2 3.76Å; M210-I234 HydrophobicContact CE-CD1 4.03Å; M210-I234 HydrophobicContact SD-CD1 4.3Å
211	P	98.2	Very high	98.5	Very high	125 Å²	125	46.6 Å²	46.6	81%	0.812	25%	0.253	S	S	*	.	S	Bend	cis	-70.9	163.4	-3.7	33	-36.9	0	0	0	112.8
212	Y	98.4	Very high	98.6	Very high	64 Å²	64	46.1 Å²	46.1	25%	0.251	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-153.2	146.7	176.8	-161.4	-108.6	0	0	0	111.8	I208 P209 G214 L215 R240 I241	I208-Y212 HydrophobicContact CG2-CD1 4Å; I208-Y212 HydrophobicContact CG2-CG 4.19Å; P209-Y212 HydrophobicContact CG-CD2 3.27Å; P209-Y212 HydrophobicContact CG-CE2 3.68Å; P209-Y212 HydrophobicContact CG-CG 3.92Å; P209-Y212 VanDerWaalsContact O-CB 3.32Å; P209-Y212 WeakPolarHBondContact O-CB 3.37Å; Y212-G214 PolarHBondContact O-N 2.96Å; Y212-L215 WeakPolarHBondContact O-CB 3.38Å; Y212-L215 PolarHBondContact O-N 2.88Å; Y212-R240 WeakPolarHBondContact CE1-O 3.4Å; Y212-R240 PolarHBondContact OH-O 2.93Å; Y212-I241 HydrophobicContact CD1-CG2 4.11Å; Y212-I241 HydrophobicContact CE1-CG2 3.54Å
213	P	98.7	Very high	98.6	Very high	102 Å²	102	48 Å²	48	66%	0.662	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	133.6	176.9	-26.8	36.3	0	0	0	112.5	L215	P213-L215 PolarHBondContact O-N 3.34Å
214	G	98.4	Very high	98.6	Very high	30 Å²	30	53.2 Å²	53.2	31%	0.309	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	0.4	-175	0	0	0	0	0	114.8	Y212 L236 E237	Y212-G214 PolarHBondContact O-N 2.96Å; G214-L236 CarbonylContact O-C 3.52Å; G214-L236 VanDerWaalsContact O-CA 3.32Å; G214-L236 WeakPolarHBondContact O-CA 3.47Å; G214-E237 WeakPolarHBondContact CA-O 3.35Å; G214-E237 PolarHBondContact O-N 3.46Å
215	L	98.8	Very high	98.6	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.6	171	-172.8	158.6	0	0	0	109.8	T188 I208 M210 Y212 P213 L217 I234 I235 L236	T188-L215 HydrophobicContact CG2-CD1 4.33Å; I208-L215 HydrophobicContact CB-CD1 4.35Å; I208-L215 HydrophobicContact CG2-CD1 3.78Å; M210-L215 HydrophobicContact CE-CD2 4.3Å; M210-L215 HydrophobicContact CG-CD1 4.11Å; M210-L215 HydrophobicContact CG-CD2 4.3Å; Y212-L215 WeakPolarHBondContact O-CB 3.38Å; Y212-L215 PolarHBondContact O-N 2.88Å; P213-L215 PolarHBondContact O-N 3.34Å; L215-L217 HydrophobicContact CD2-CD2 4.42Å; L215-I234 HydrophobicContact CD1-CG2 4.03Å; L215-I234 HydrophobicContact CD2-CG2 4.18Å; L215-I234 HydrophobicContact CG-CG2 3.85Å; L215-I235 WeakPolarHBondContact CA-O 3.38Å; L215-L236 HydrophobicContact CB-CD2 4.11Å; L215-L236 HydrophobicContact CD1-CD2 3.99Å; L215-L236 HydrophobicContact CG-CD2 3.99Å
216	S	98.7	Very high	98.6	Very high	55 Å²	55	53.7 Å²	53.7	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.6	172.8	68.1	0	0	0	0	112	I235	S216-I235 PolarHBondContact N-O 3.42Å; S216-I235 PolarHBondContact O-N 3.09Å
217	L	98.8	Very high	98.6	Very high	59 Å²	59	56.3 Å²	56.3	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.6	179.7	-61.4	-177.9	0	0	0	110.7	S182 W183 M210 L215 I234	S182-L217 VanDerWaalsContact O-CD1 3.26Å; S182-L217 WeakPolarHBondContact O-CD1 3.5Å; W183-L217 HydrophobicContact CD2-CD1 4.15Å; W183-L217 HydrophobicContact CG-CD1 4.11Å; W183-L217 HydrophobicContact CZ2-CB 4.44Å; M210-L217 HydrophobicContact CE-CD2 3.76Å; L215-L217 HydrophobicContact CD2-CD2 4.42Å; L217-I234 HydrophobicContact CD2-CG1 3.92Å
218	G	98.4	Very high	98.6	Very high	15 Å²	15	56.4 Å²	56.4	16%	0.155	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.2	170	163	0	0	0	0	0	111.6	W183 N233	W183-G218 WeakPolarHBondContact CZ2-O 3.5Å; W183-G218 PolarHBondContact NE1-O 3.26Å; G218-N233 PolarHBondContact N-O 3.46Å
219	K	98.2	Very high	98.6	Very high	169 Å²	169	56.4 Å²	56.4	74%	0.735	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-57.2	152.1	171.1	67	174.9	-175.6	172.7	0	111	E221 A232	K219-E221 PolarHBondContact O-N 2.93Å; K219-A232 WeakPolarHBondContact O-CB 3.27Å
220	K	98.4	Very high	98.6	Very high	93 Å²	93	54.9 Å²	54.9	40%	0.404	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.3	133.7	168.5	-68.9	-176.3	177.5	-174.7	0	109.4	W183 T231	W183-K220 VanDerWaalsContact CB-CE 3.45Å; W183-K220 HydrophobicContact CD2-CD 4.44Å; W183-K220 HydrophobicContact CD2-CG 3.97Å; W183-K220 HydrophobicContact CG-CD 4.24Å; W183-K220 VanDerWaalsContact CG-CE 3.43Å; W183-K220 HydrophobicContact CG-CG 3.76Å; K220-T231 CarbonylContact C-O 3.5Å; K220-T231 WeakPolarHBondContact CA-O 3.34Å
221	E	98.6	Very high	98.6	Very high	47 Å²	47	54.4 Å²	54.4	22%	0.22	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.7	133.9	172.7	-64.4	-60.7	161.6	0	0	110.4	W178 K219 K223 T231	W178-E221 HydrophobicContact CE3-CG 4.2Å; W178-E221 HydrophobicContact CZ3-CG 3.91Å; K219-E221 PolarHBondContact O-N 2.93Å; E221-K223 HydrophobicContact CB-CD 4.44Å; E221-K223 HydrophobicContact CB-CG 3.99Å; E221-T231 HydrophobicContact CG-CG2 4.35Å; E221-T231 PolarHBondContact N-O 2.91Å
222	D	98.6	Very high	98.6	Very high	133 Å²	133	48.5 Å²	48.5	71%	0.711	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-84.9	118.8	169	-173.3	19.1	0	0	0	108.8	H57	H57-D222 IonicContact CE1-OD1 2.82Å; H57-D222 PolarHBondContact CE1-OD1 2.93Å
223	K	98.7	Very high	98.7	Very high	41 Å²	41	47.5 Å²	47.5	18%	0.178	26%	0.256	C	S	.	.			trans	-126.2	154.2	-164	-61.4	-173.7	-60.1	-74.5	0	111	E221 R227 S229 T231	E221-K223 HydrophobicContact CB-CD 4.44Å; E221-K223 HydrophobicContact CB-CG 3.99Å; K223-R227 WeakPolarHBondContact O-CD 3.26Å; K223-R227 VanDerWaalsContact O-CG 3.29Å; K223-R227 WeakPolarHBondContact O-CG 3.36Å; K223-S229 PolarHBondContact NZ-O 2.93Å; K223-T231 HydrophobicContact CD-CG2 4.4Å; K223-T231 WeakPolarHBondContact CD-OG1 3.34Å; K223-T231 WeakPolarHBondContact CE-OG1 3.18Å; K223-T231 PolarHBondContact NZ-OG1 3.14Å
224	L	98.8	Very high	98.7	Very high	110 Å²	110	42.7 Å²	42.7	58%	0.576	23%	0.225	S	C	*	.	S	Bend	trans	-56.5	-51.9	174.3	179.3	63.6	0	0	0	112.4	R376 R379	L224-R376 HydrophobicContact CD1-CB 4.39Å; L224-R376 HydrophobicContact CD1-CG 3.81Å; L224-R376 HydrophobicContact CG-CB 4.07Å; L224-R376 HydrophobicContact CG-CG 4.04Å; L224-R376 WeakPolarHBondContact O-CB 3.35Å; L224-R376 VanDerWaalsContact O-CD 3.27Å; L224-R376 WeakPolarHBondContact O-CD 3.28Å; L224-R376 PolarHBondContact O-NH1 3.14Å; L224-R379 HydrophobicContact CD2-CB 4.13Å; L224-R379 HydrophobicContact CD2-CG 4.05Å
225	G	98.8	Very high	98.7	Very high	6 Å²	6	43.1 Å²	43.1	6%	0.062	22%	0.22	C	C	.	.	S	Bend	trans	-138.8	-176.8	-175.7	0	0	0	0	0	111.7	R227 D377	G225-R227 PolarHBondContact O-N 3.1Å; G225-R227 VanDerWaalsContact O-N 3.15Å; G225-D377 WeakPolarHBondContact CA-OD1 3.44Å
226	I	98.8	Very high	98.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.216	C	C	.	.			trans	46.2	38.3	-171.7	60.3	165.3	0	0	0	112.2	A103 S104 V107 A228 S229 D377 I380 Y384	A103-I226 HydrophobicContact CB-CG2 4.01Å; S104-I226 WeakPolarHBondContact OG-CA 3.32Å; S104-I226 PolarHBondContact OG-O 3.23Å; V107-I226 HydrophobicContact CG1-CD1 4.47Å; I226-A228 PolarHBondContact O-N 3.1Å; I226-A228 VanDerWaalsContact O-N 3.13Å; I226-S229 PolarHBondContact O-N 2.86Å; I226-S229 PolarHBondContact O-OG 2.69Å; I226-D377 HydrophobicContact CG2-CB 4.2Å; I226-D377 PolarHBondContact N-OD1 3.33Å; I226-I380 HydrophobicContact CD1-CB 4.38Å; I226-I380 HydrophobicContact CD1-CG1 4.03Å; I226-I380 HydrophobicContact CD1-CG2 3.74Å; I226-I380 HydrophobicContact CG1-CG2 4.04Å; I226-I380 HydrophobicContact CG2-CG2 4.09Å; I226-Y384 HydrophobicContact CD1-CE2 4.08Å
227	R	98.9	Very high	98.7	Very high	55 Å²	55	46 Å²	46	21%	0.208	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.7	-167.6	-73.9	160	62	-155.7	7.7	114.4	D54 K55 H57 K223 G225 S229	D54-R227 PolarHBondContact O-NE 3.47Å; D54-R227 PolarHBondContact O-NH1 3.09Å; D54-R227 PolarHBondContact O-NH2 2.81Å; D54-R227 WeakPolarHBondContact OD1-CD 3.35Å; D54-R227 IonicContact OD1-NH1 3.39Å; D54-R227 IonicContact OD2-CZ 3.48Å; D54-R227 IonicContact OD2-NH1 3.61Å; D54-R227 PolarHBondContact OD2-NH1 3.45Å; K55-R227 PolarHBondContact O-NH2 3.36Å; H57-R227 PolarHBondContact CD2-NE 2.85Å; H57-R227 VanDerWaalsContact CD2-NE 3.35Å; H57-R227 PolarHBondContact CD2-NH2 3.44Å; H57-R227 VanDerWaalsContact CD2-NH2 3.32Å; H57-R227 PolarHBondContact NE2-NE 2.94Å; H57-R227 PolarHBondContact NE2-NH2 2.85Å; K223-R227 WeakPolarHBondContact O-CD 3.26Å; K223-R227 VanDerWaalsContact O-CG 3.29Å; K223-R227 WeakPolarHBondContact O-CG 3.36Å; G225-R227 PolarHBondContact O-N 3.1Å; G225-R227 VanDerWaalsContact O-N 3.15Å; R227-S229 VanDerWaalsContact C-N 3.3Å; R227-S229 PolarHBondContact O-N 3.03Å
228	A	98.8	Very high	98.7	Very high	2 Å²	2	48 Å²	48	2%	0.017	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.6	175.6	0	0	0	0	0	114.2	L53 V58 Y59 S104 I226	L53-A228 HydrophobicContact CB-CB 3.8Å; V58-A228 VanDerWaalsContact O-CB 3.23Å; V58-A228 WeakPolarHBondContact O-CB 3.34Å; Y59-A228 WeakPolarHBondContact CA-O 3.41Å; S104-A228 PolarHBondContact OG-N 3.13Å; I226-A228 PolarHBondContact O-N 3.1Å; I226-A228 VanDerWaalsContact O-N 3.13Å
229	S	98.6	Very high	98.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	23%	0.23	C	C	.	.	S	Bend	trans	-96.2	133.3	167.5	70.9	0	0	0	0	110.3	S104 K223 I226 R227	S104-S229 PolarHBondContact OG-N 3.36Å; K223-S229 PolarHBondContact NZ-O 2.93Å; I226-S229 PolarHBondContact O-N 2.86Å; I226-S229 PolarHBondContact O-OG 2.69Å; R227-S229 VanDerWaalsContact C-N 3.3Å; R227-S229 PolarHBondContact O-N 3.03Å
230	S	98.5	Very high	98.7	Very high	6 Å²	6	44 Å²	44	4%	0.042	21%	0.213	C	C	.	.			trans	-69.8	143.1	175.3	61	0	0	0	0	110.8	T180 N181 S182 W183 D184	T180-S230 CarbonylContact C-O 3.51Å; T180-S230 VanDerWaalsContact CA-O 3.26Å; T180-S230 WeakPolarHBondContact CA-O 3.44Å; N181-S230 VanDerWaalsContact CA-OG 3.3Å; N181-S230 WeakPolarHBondContact CA-OG 3.36Å; N181-S230 PolarHBondContact N-O 3.36Å; S182-S230 PolarHBondContact N-OG 2.98Å; W183-S230 PolarHBondContact N-OG 3.49Å; D184-S230 WeakPolarHBondContact OD2-CB 3.3Å; D184-S230 PolarHBondContact OD2-OG 2.87Å
231	T	98.9	Very high	98.7	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.2	172.4	-47.9	0	0	0	0	106.5	W178 I179 K220 E221 K223	W178-T231 HydrophobicContact CB-CG2 4.37Å; W178-T231 HydrophobicContact CE3-CG2 4.34Å; I179-T231 WeakPolarHBondContact O-CA 3.31Å; K220-T231 CarbonylContact C-O 3.5Å; K220-T231 WeakPolarHBondContact CA-O 3.34Å; E221-T231 HydrophobicContact CG-CG2 4.35Å; E221-T231 PolarHBondContact N-O 2.91Å; K223-T231 HydrophobicContact CD-CG2 4.4Å; K223-T231 WeakPolarHBondContact CD-OG1 3.34Å; K223-T231 WeakPolarHBondContact CE-OG1 3.18Å; K223-T231 PolarHBondContact NZ-OG1 3.14Å
232	A	98.8	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	172.5	179.9	0	0	0	0	0	110.3	I179 S182 K219	I179-A232 WeakPolarHBondContact CB-O 3.41Å; I179-A232 PolarHBondContact N-O 3.04Å; I179-A232 PolarHBondContact O-N 2.73Å; S182-A232 WeakPolarHBondContact OG-CB 3.5Å; S182-A232 PolarHBondContact OG-N 3.44Å; S182-A232 VanDerWaalsContact OG-N 3.13Å; K219-A232 WeakPolarHBondContact O-CB 3.27Å
233	N	98.8	Very high	98.7	Very high	44 Å²	44	36.5 Å²	36.5	24%	0.235	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	146.5	166.3	-62.9	-22.6	0	0	0	110.5	T175 K176 A177 G218	T175-N233 HydrophobicContact CG2-CB 4.06Å; K176-N233 CarbonylContact O-C 3.59Å; K176-N233 WeakPolarHBondContact O-CA 3.18Å; K176-N233 WeakPolarHBondContact O-CB 3.36Å; A177-N233 WeakPolarHBondContact CA-OD1 3.45Å; A177-N233 VanDerWaalsContact CB-OD1 3.29Å; A177-N233 WeakPolarHBondContact CB-OD1 3.21Å; G218-N233 PolarHBondContact N-O 3.46Å
234	I	98.8	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122	163.5	-64.3	-178.5	0	0	0	107	A146 T175 K176 I179 T188 M210 L215 L217 L236	A146-I234 HydrophobicContact CB-CD1 4.32Å; T175-I234 WeakPolarHBondContact CA-O 3.45Å; K176-I234 HydrophobicContact CB-CB 4.32Å; K176-I234 PolarHBondContact N-O 3.06Å; K176-I234 PolarHBondContact O-N 3.42Å; I179-I234 HydrophobicContact CB-CD1 4.19Å; I179-I234 HydrophobicContact CB-CG1 4.24Å; I179-I234 HydrophobicContact CG1-CD1 4.12Å; I179-I234 HydrophobicContact CG1-CG1 4.01Å; I179-I234 HydrophobicContact CG2-CD1 3.77Å; I179-I234 HydrophobicContact CG2-CG1 4.36Å; T188-I234 HydrophobicContact CG2-CD1 4.48Å; M210-I234 HydrophobicContact CE-CD1 4.03Å; M210-I234 HydrophobicContact SD-CD1 4.3Å; L215-I234 HydrophobicContact CD1-CG2 4.03Å; L215-I234 HydrophobicContact CD2-CG2 4.18Å; L215-I234 HydrophobicContact CG-CG2 3.85Å; L217-I234 HydrophobicContact CD2-CG1 3.92Å; I234-L236 HydrophobicContact CG2-CD2 4.33Å; I234-L236 HydrophobicContact CG2-CG 4.44Å
235	I	98.9	Very high	98.6	Very high	40 Å²	40	34.9 Å²	34.9	21%	0.205	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.3	-176.9	-59.9	156.4	0	0	0	107.7	T175 L215 S216 E237	T175-I235 HydrophobicContact CG2-CG1 4.13Å; L215-I235 WeakPolarHBondContact CA-O 3.38Å; S216-I235 PolarHBondContact N-O 3.42Å; S216-I235 PolarHBondContact O-N 3.09Å; I235-E237 HydrophobicContact CG2-CG 4.03Å
236	L	98.9	Very high	98.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.2	-179.9	-60.6	166.5	0	0	0	107.7	T161 L172 N173 G174 V190 I208 G214 L215 I234 C239	T161-L236 HydrophobicContact CG2-CD1 3.99Å; L172-L236 HydrophobicContact CB-CD1 4.23Å; L172-L236 HydrophobicContact CD2-CD1 4.26Å; N173-L236 CarbonylContact C-O 3.58Å; N173-L236 WeakPolarHBondContact CA-O 3.21Å; G174-L236 PolarHBondContact N-O 2.9Å; G174-L236 PolarHBondContact O-N 3.38Å; V190-L236 HydrophobicContact CG1-CD1 3.94Å; I208-L236 HydrophobicContact CD1-CD2 4.15Å; G214-L236 CarbonylContact O-C 3.52Å; G214-L236 VanDerWaalsContact O-CA 3.32Å; G214-L236 WeakPolarHBondContact O-CA 3.47Å; L215-L236 HydrophobicContact CB-CD2 4.11Å; L215-L236 HydrophobicContact CD1-CD2 3.99Å; L215-L236 HydrophobicContact CG-CD2 3.99Å; I234-L236 HydrophobicContact CG2-CD2 4.33Å; I234-L236 HydrophobicContact CG2-CG 4.44Å; L236-C239 HydrophobicContact CB-CB 4.27Å; L236-C239 HydrophobicContact CD2-CB 3.9Å
237	E	98.8	Very high	98.6	Very high	131 Å²	131	36.4 Å²	36.4	61%	0.612	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126	105.9	178.6	-73.1	176.9	-173.7	0	0	107.9	G214 I235 C239	G214-E237 WeakPolarHBondContact CA-O 3.35Å; G214-E237 PolarHBondContact O-N 3.46Å; I235-E237 HydrophobicContact CG2-CG 4.03Å; E237-C239 PolarHBondContact O-N 2.85Å; E237-C239 VanDerWaalsContact O-N 3.11Å
238	D	98.4	Very high	98.6	Very high	101 Å²	101	34.7 Å²	34.7	54%	0.54	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47	41.1	-174.8	-63.8	-35.3	0	0	0	113.6	L171 N173 R240	L171-D238 VanDerWaalsContact CD1-CA 3.49Å; L171-D238 HydrophobicContact CD1-CB 3.84Å; N173-D238 PolarHBondContact ND2-OD1 3.17Å; N173-D238 PolarHBondContact OD1-N 3.27Å; D238-R240 PolarHBondContact O-N 3.16Å; D238-R240 VanDerWaalsContact O-N 3.14Å
239	C	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	105.7	179.9	-177.5	0	0	0	0	109.9	L172 L236 E237	L172-C239 HydrophobicContact CB-CB 4.28Å; L172-C239 PolarHBondContact N-O 2.77Å; L172-C239 PolarHBondContact O-N 3.38Å; L172-C239 VanDerWaalsContact O-N 3.08Å; L236-C239 HydrophobicContact CB-CB 4.27Å; L236-C239 HydrophobicContact CD2-CB 3.9Å; E237-C239 PolarHBondContact O-N 2.85Å; E237-C239 VanDerWaalsContact O-N 3.11Å
240	R	98.8	Very high	98.5	Very high	100 Å²	100	45.4 Å²	45.4	38%	0.377	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.6	-176.9	-71.3	176.1	177.2	-79.4	-10.6	111.3	E166 E169 W170 L171 Y212 D238	E166-R240 IonicContact OE2-CZ 3.19Å; E166-R240 IonicContact OE2-NH1 2.78Å; E166-R240 PolarHBondContact OE2-NH1 2.89Å; E166-R240 IonicContact OE2-NH2 2.73Å; E166-R240 PolarHBondContact OE2-NH2 2.95Å; E169-R240 WeakPolarHBondContact OE2-CD 3.48Å; E169-R240 IonicContact OE2-NH1 3.43Å; E169-R240 PolarHBondContact OE2-NH1 3.47Å; W170-R240 CarbonylContact O-C 3.55Å; W170-R240 WeakPolarHBondContact O-CA 3.45Å; L171-R240 HydrophobicContact CD1-CG 3.64Å; Y212-R240 WeakPolarHBondContact CE1-O 3.4Å; Y212-R240 PolarHBondContact OH-O 2.93Å; D238-R240 PolarHBondContact O-N 3.16Å; D238-R240 VanDerWaalsContact O-N 3.14Å
241	I	98.6	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.9	178	64	178.8	0	0	0	111.4	E169 W170 L172 F206 I208 Y212 N245	E169-I241 CarbonylContact C-O 3.56Å; E169-I241 VanDerWaalsContact CA-O 3.24Å; E169-I241 WeakPolarHBondContact CA-O 3.33Å; W170-I241 HydrophobicContact CB-CD1 4.36Å; W170-I241 HydrophobicContact CB-CG1 3.77Å; W170-I241 PolarHBondContact N-O 3.26Å; W170-I241 PolarHBondContact O-N 3.37Å; L172-I241 HydrophobicContact CD1-CD1 3.6Å; L172-I241 HydrophobicContact CD1-CG1 3.7Å; F206-I241 HydrophobicContact CB-CD1 3.78Å; F206-I241 HydrophobicContact CD1-CD1 3.86Å; F206-I241 HydrophobicContact CG-CD1 4.11Å; I208-I241 HydrophobicContact CD1-CD1 4.41Å; I208-I241 HydrophobicContact CD1-CG2 4.41Å; I208-I241 HydrophobicContact CG1-CD1 4.13Å; I208-I241 HydrophobicContact CG1-CG2 4.2Å; I208-I241 HydrophobicContact CG2-CG2 3.98Å; Y212-I241 HydrophobicContact CD1-CG2 4.11Å; Y212-I241 HydrophobicContact CE1-CG2 3.54Å; I241-N245 HydrophobicContact CB-CB 4.36Å; I241-N245 HydrophobicContact CD1-CB 3.97Å; I241-N245 HydrophobicContact CG1-CB 4.31Å
242	P	98.4	Very high	98.4	Very high	48 Å²	48	47 Å²	47	31%	0.312	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	151.4	175.4	-29.5	38	0	0	0	114.4	N244 N245	P242-N244 WeakPolarHBondContact CB-OD1 3.44Å; P242-N244 PolarHBondContact O-N 3.35Å; P242-N245 WeakPolarHBondContact O-CB 3.36Å; P242-N245 PolarHBondContact O-N 3.27Å
243	L	97.7	Very high	98.4	Very high	68 Å²	68	47 Å²	47	36%	0.356	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.5	-37.3	179.1	-166.7	72.9	0	0	0	113	Q165 E168 W170 N245 M246	Q165-L243 HydrophobicContact CG-CD1 3.91Å; E168-L243 WeakPolarHBondContact O-CB 3.39Å; E168-L243 PolarHBondContact O-N 3.47Å; W170-L243 HydrophobicContact CZ2-CD1 4.08Å; W170-L243 PolarHBondContact NE1-O 3Å; L243-N245 PolarHBondContact O-N 3.07Å; L243-M246 PolarHBondContact O-N 2.74Å
244	N	97.4	Very high	98.4	Very high	108 Å²	108	47.3 Å²	47.3	58%	0.578	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-74.5	-2.4	-179.7	68.4	-25.5	0	0	0	114	Q128 P242 M246	Q128-N244 PolarHBondContact NE2-O 3.24Å; P242-N244 WeakPolarHBondContact CB-OD1 3.44Å; P242-N244 PolarHBondContact O-N 3.35Å; N244-M246 VanDerWaalsContact C-N 3.25Å
245	N	98.6	Very high	98.4	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.043	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-79.5	-6.4	171.1	-76.4	29.9	0	0	0	112.9	F206 L207 I241 P242 L243 L247	F206-N245 CarbonylContact C-O 3.59Å; F206-N245 WeakPolarHBondContact CA-O 3.39Å; L207-N245 PolarHBondContact N-O 3.43Å; L207-N245 VanDerWaalsContact O-CB 3.31Å; L207-N245 WeakPolarHBondContact O-CB 3.37Å; L207-N245 PolarHBondContact O-ND2 3.13Å; I241-N245 HydrophobicContact CB-CB 4.36Å; I241-N245 HydrophobicContact CD1-CB 3.97Å; I241-N245 HydrophobicContact CG1-CB 4.31Å; P242-N245 WeakPolarHBondContact O-CB 3.36Å; P242-N245 PolarHBondContact O-N 3.27Å; L243-N245 PolarHBondContact O-N 3.07Å; N245-L247 PolarHBondContact O-N 2.84Å
246	M	98.6	Very high	98.4	Very high	42 Å²	42	51.7 Å²	51.7	21%	0.207	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.5	171.5	-172.7	173.3	61.2	0	0	110.4	Q128 W170 A205 F206 L243 N244 R250	Q128-M246 PolarHBondContact NE2-O 3.49Å; W170-M246 HydrophobicContact CH2-SD 4.38Å; W170-M246 HydrophobicContact CZ2-CE 4.32Å; W170-M246 HydrophobicContact CZ2-SD 3.69Å; A205-M246 WeakPolarHBondContact O-CA 3.5Å; F206-M246 HydrophobicContact CD1-CB 4.23Å; F206-M246 HydrophobicContact CD1-CG 4.45Å; F206-M246 HydrophobicContact CE1-CB 4.17Å; F206-M246 HydrophobicContact CE1-CG 4.13Å; L243-M246 PolarHBondContact O-N 2.74Å; N244-M246 VanDerWaalsContact C-N 3.25Å; M246-R250 HydrophobicContact CE-CB 4.25Å; M246-R250 HydrophobicContact SD-CB 3.9Å
247	L	98.8	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.2	177.9	179	65.8	0	0	0	110	P119 I120 F123 V189 A205 L207 N245 I256	P119-L247 HydrophobicContact CB-CD2 3.92Å; I120-L247 HydrophobicContact CG1-CD2 4.48Å; F123-L247 HydrophobicContact CB-CD1 4.12Å; F123-L247 HydrophobicContact CB-CG 4.24Å; V189-L247 HydrophobicContact CG1-CD2 4.31Å; A205-L247 HydrophobicContact CB-CB 4.04Å; A205-L247 HydrophobicContact CB-CD2 4.5Å; A205-L247 PolarHBondContact O-N 3.44Å; L207-L247 HydrophobicContact CD2-CB 4.48Å; L207-L247 HydrophobicContact CD2-CD2 4.35Å; L207-L247 HydrophobicContact CG-CB 4.32Å; N245-L247 PolarHBondContact O-N 2.84Å; L247-I256 HydrophobicContact CD2-CG2 4.41Å; L247-I256 WeakPolarHBondContact O-CD1 3.46Å
248	G	98.4	Very high	98.3	Very high	20 Å²	20	47.8 Å²	47.8	21%	0.206	25%	0.249	C	C	.	.	S	Bend	trans	69.2	-171.7	-175.3	0	0	0	0	0	113.7
249	P	97.9	Very high	98.3	Very high	94 Å²	94	45.7 Å²	45.7	61%	0.61	24%	0.236	S	C	*	.	S	Bend	trans	-68.5	149.4	-177.6	-20.2	32.8	0	0	0	113.3	G251 A252	P249-G251 PolarHBondContact O-N 3.24Å; P249-A252 HydrophobicContact CB-CB 4.31Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 3.02Å
250	R	98.1	Very high	98.3	Very high	133 Å²	133	46 Å²	46	50%	0.502	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	133.3	171	-174.8	178	179.8	169.6	-2.9	110.7	T194 M246 A252	T194-R250 HydrophobicContact CG2-CG 4.41Å; T194-R250 PolarHBondContact O-NH2 2.68Å; T194-R250 PolarHBondContact OG1-NE 3.14Å; T194-R250 VanDerWaalsContact OG1-NE 3.15Å; M246-R250 HydrophobicContact CE-CB 4.25Å; M246-R250 HydrophobicContact SD-CB 3.9Å; R250-A252 VanDerWaalsContact C-N 3.27Å; R250-A252 PolarHBondContact O-N 3.13Å
251	G	97.9	Very high	98.3	Very high	24 Å²	24	42 Å²	42	25%	0.247	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-3.8	-177.7	0	0	0	0	0	114.9	K201 I203 S204 P249 G253	K201-G251 VanDerWaalsContact O-CA 3.3Å; K201-G251 WeakPolarHBondContact O-CA 3.37Å; I203-G251 CarbonylContact O-C 3.54Å; I203-G251 WeakPolarHBondContact O-CA 3.36Å; S204-G251 PolarHBondContact OG-N 3.1Å; P249-G251 PolarHBondContact O-N 3.24Å; G251-G253 VanDerWaalsContact C-N 3.34Å
252	A	98.1	Very high	98.3	Very high	23 Å²	23	42.9 Å²	42.9	19%	0.19	23%	0.228	C	C	.	.			trans	-84.7	-4.8	176.9	0	0	0	0	0	113.8	P249 R250 F254 K255 I256	P249-A252 HydrophobicContact CB-CB 4.31Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 3.02Å; R250-A252 VanDerWaalsContact C-N 3.27Å; R250-A252 PolarHBondContact O-N 3.13Å; A252-F254 PolarHBondContact O-N 3.44Å; A252-K255 WeakPolarHBondContact O-CB 3.42Å; A252-K255 PolarHBondContact O-N 3.14Å; A252-I256 HydrophobicContact CB-CD1 4.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 3.17Å
253	G	98.6	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.4	-42.1	-172	0	0	0	0	0	113.6	F191 I203 G251 K255 I256 A257	F191-G253 WeakPolarHBondContact CD1-O 3.47Å; F191-G253 WeakPolarHBondContact CE1-O 3.31Å; I203-G253 VanDerWaalsContact O-CA 3.26Å; I203-G253 WeakPolarHBondContact O-CA 3.32Å; I203-G253 PolarHBondContact O-N 2.9Å; G251-G253 VanDerWaalsContact C-N 3.34Å; G253-K255 PolarHBondContact O-N 3.46Å; G253-I256 PolarHBondContact O-N 3.41Å; G253-A257 WeakPolarHBondContact O-CB 3.29Å; G253-A257 PolarHBondContact O-N 2.96Å
254	F	98.3	Very high	98.3	Very high	52 Å²	52	37.9 Å²	37.9	23%	0.228	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.3	177.1	-172.8	-102.5	0	0	0	112.4	A156 H200 I203 A252 A257 M258	A156-F254 HydrophobicContact CB-CE2 4.24Å; H200-F254 HydrophobicContact CB-CB 4.23Å; H200-F254 HydrophobicContact CB-CD1 3.99Å; H200-F254 HydrophobicContact CB-CD2 3.96Å; H200-F254 HydrophobicContact CB-CE1 4.33Å; H200-F254 HydrophobicContact CB-CE2 4.31Å; H200-F254 HydrophobicContact CB-CG 3.79Å; H200-F254 HydrophobicContact CB-CZ 4.48Å; H200-F254 AromaticContact CD2-CD1 3.93Å; H200-F254 VanDerWaalsContact O-CB 3.24Å; H200-F254 WeakPolarHBondContact O-CB 3.47Å; I203-F254 HydrophobicContact CB-CB 4.35Å; I203-F254 HydrophobicContact CD1-CB 4.43Å; I203-F254 HydrophobicContact CD1-CD2 4.23Å; A252-F254 PolarHBondContact O-N 3.44Å; F254-A257 PolarHBondContact O-N 3.22Å; F254-M258 HydrophobicContact CD1-CG 4.13Å; F254-M258 HydrophobicContact CD2-CE 4.48Å; F254-M258 HydrophobicContact CE1-CG 3.77Å; F254-M258 HydrophobicContact CE1-SD 4.41Å; F254-M258 HydrophobicContact CE2-CE 4Å; F254-M258 HydrophobicContact CE2-CG 4.37Å; F254-M258 HydrophobicContact CE2-SD 4.32Å; F254-M258 HydrophobicContact CZ-CE 4.26Å; F254-M258 HydrophobicContact CZ-CG 3.9Å; F254-M258 HydrophobicContact CZ-SD 3.96Å; F254-M258 VanDerWaalsContact O-CG 3.31Å; F254-M258 WeakPolarHBondContact O-CG 3.5Å; F254-M258 PolarHBondContact O-N 3.3Å
255	K	98.3	Very high	98.4	Very high	129 Å²	129	33.2 Å²	33.2	56%	0.561	17%	0.174	S	C	*	.	H	α-helix	trans	-64	-43.5	175.4	178.2	-176.7	174.5	-175	0	111	A252 G253 M258 Q259	A252-K255 WeakPolarHBondContact O-CB 3.42Å; A252-K255 PolarHBondContact O-N 3.14Å; G253-K255 PolarHBondContact O-N 3.46Å; K255-M258 PolarHBondContact O-N 3.14Å; K255-Q259 VanDerWaalsContact CE-NE2 3.29Å; K255-Q259 WeakPolarHBondContact O-CG 3.34Å; K255-Q259 PolarHBondContact O-N 3.18Å
256	I	98.8	Very high	98.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-53.2	175.8	-68	169.8	0	0	0	109.2	P119 F123 F191 A205 L247 A252 G253 M258 Q259 T260	P119-I256 HydrophobicContact CB-CG2 3.97Å; F123-I256 HydrophobicContact CB-CD1 4.37Å; F123-I256 HydrophobicContact CD1-CG1 4.21Å; F123-I256 HydrophobicContact CD2-CB 4.22Å; F123-I256 HydrophobicContact CD2-CD1 4.42Å; F123-I256 HydrophobicContact CD2-CG1 3.8Å; F123-I256 HydrophobicContact CD2-CG2 3.73Å; F123-I256 HydrophobicContact CE1-CG1 4.3Å; F123-I256 HydrophobicContact CE2-CB 4.09Å; F123-I256 HydrophobicContact CE2-CG1 3.91Å; F123-I256 HydrophobicContact CE2-CG2 3.84Å; F123-I256 HydrophobicContact CG-CD1 4.29Å; F123-I256 HydrophobicContact CG-CG1 3.94Å; F123-I256 HydrophobicContact CZ-CG1 4.14Å; F191-I256 HydrophobicContact CE1-CB 4.28Å; F191-I256 HydrophobicContact CE1-CG2 4.08Å; F191-I256 HydrophobicContact CZ-CG2 4.21Å; A205-I256 HydrophobicContact CB-CD1 4.16Å; A205-I256 HydrophobicContact CB-CG2 4.44Å; L247-I256 HydrophobicContact CD2-CG2 4.41Å; L247-I256 WeakPolarHBondContact O-CD1 3.46Å; A252-I256 HydrophobicContact CB-CD1 4.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 3.17Å; G253-I256 PolarHBondContact O-N 3.41Å; I256-M258 PolarHBondContact O-N 3.34Å; I256-Q259 PolarHBondContact O-N 3.33Å; I256-T260 WeakPolarHBondContact O-CB 3.36Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.07Å; I256-T260 VanDerWaalsContact O-OG1 3.04Å
257	A	98.6	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-48.2	178.9	0	0	0	0	0	112.9	F145 L147 F191 G253 F254 T260 L261	F145-A257 HydrophobicContact CZ-CB 4.25Å; L147-A257 HydrophobicContact CD1-CB 4.09Å; L147-A257 HydrophobicContact CD2-CB 4.06Å; F191-A257 HydrophobicContact CD1-CB 3.98Å; F191-A257 HydrophobicContact CE1-CB 3.61Å; F191-A257 HydrophobicContact CE2-CB 4.43Å; F191-A257 HydrophobicContact CZ-CB 3.87Å; G253-A257 WeakPolarHBondContact O-CB 3.29Å; G253-A257 PolarHBondContact O-N 2.96Å; F254-A257 PolarHBondContact O-N 3.22Å; A257-T260 PolarHBondContact O-N 3.28Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 2.86Å
258	M	98.1	Very high	98.4	Very high	51 Å²	51	30.9 Å²	30.9	25%	0.251	16%	0.162	S	C	.	.	H	α-helix	trans	-65.4	-41.4	-178.6	-66.9	-56.8	99.2	0	0	112.3	L147 A156 F254 K255 I256 T260 L261 D262	L147-M258 HydrophobicContact CD2-CE 4.41Å; A156-M258 HydrophobicContact CB-CE 4.13Å; F254-M258 HydrophobicContact CD1-CG 4.13Å; F254-M258 HydrophobicContact CD2-CE 4.48Å; F254-M258 HydrophobicContact CE1-CG 3.77Å; F254-M258 HydrophobicContact CE1-SD 4.41Å; F254-M258 HydrophobicContact CE2-CE 4Å; F254-M258 HydrophobicContact CE2-CG 4.37Å; F254-M258 HydrophobicContact CE2-SD 4.32Å; F254-M258 HydrophobicContact CZ-CE 4.26Å; F254-M258 HydrophobicContact CZ-CG 3.9Å; F254-M258 HydrophobicContact CZ-SD 3.96Å; F254-M258 VanDerWaalsContact O-CG 3.31Å; F254-M258 WeakPolarHBondContact O-CG 3.5Å; F254-M258 PolarHBondContact O-N 3.3Å; K255-M258 PolarHBondContact O-N 3.14Å; I256-M258 PolarHBondContact O-N 3.34Å; M258-T260 VanDerWaalsContact C-N 3.34Å; M258-L261 HydrophobicContact CE-CD1 3.73Å; M258-L261 PolarHBondContact O-N 3.26Å; M258-D262 PolarHBondContact O-N 3.36Å
259	Q	98.3	Very high	98.5	Very high	58 Å²	58	29.9 Å²	29.9	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-70.3	-31.8	177.8	-68.8	-169.7	6.4	0	0	112.8	F123 K255 I256	F123-Q259 HydrophobicContact CZ-CB 4.28Å; F123-Q259 VanDerWaalsContact CZ-OE1 3.3Å; K255-Q259 VanDerWaalsContact CE-NE2 3.29Å; K255-Q259 WeakPolarHBondContact O-CG 3.34Å; K255-Q259 PolarHBondContact O-N 3.18Å; I256-Q259 PolarHBondContact O-N 3.33Å
260	T	98.8	Very high	98.5	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-48.1	172	-66.4	0	0	0	0	110.9	L115 P119 F145 I256 A257 M258 D262 S263 G264	L115-T260 HydrophobicContact CD2-CG2 3.71Å; P119-T260 WeakPolarHBondContact CB-OG1 3.43Å; P119-T260 HydrophobicContact CG-CG2 4.03Å; F145-T260 HydrophobicContact CD2-CG2 4.27Å; F145-T260 HydrophobicContact CE2-CG2 3.7Å; F145-T260 HydrophobicContact CZ-CG2 4.23Å; I256-T260 WeakPolarHBondContact O-CB 3.36Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.07Å; I256-T260 VanDerWaalsContact O-OG1 3.04Å; A257-T260 PolarHBondContact O-N 3.28Å; M258-T260 VanDerWaalsContact C-N 3.34Å; T260-D262 VanDerWaalsContact C-N 3.3Å; T260-D262 PolarHBondContact O-N 2.92Å; T260-S263 WeakPolarHBondContact O-CB 3.47Å; T260-S263 PolarHBondContact O-N 3.32Å; T260-G264 PolarHBondContact O-N 3.27Å
261	L	98.5	Very high	98.5	Very high	18 Å²	18	19.1 Å²	19.1	9%	0.094	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-32.4	178	-73.6	172.2	0	0	0	113.1	L115 L147 A257 M258 S263 G264 R265 E385	L115-L261 HydrophobicContact CD2-CD2 4.34Å; L147-L261 HydrophobicContact CD2-CD1 3.93Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 2.86Å; M258-L261 HydrophobicContact CE-CD1 3.73Å; M258-L261 PolarHBondContact O-N 3.26Å; L261-S263 PolarHBondContact O-N 3.16Å; L261-G264 PolarHBondContact O-N 3Å; L261-R265 WeakPolarHBondContact O-CB 3.3Å; L261-R265 WeakPolarHBondContact O-CD 3.35Å; L261-R265 WeakPolarHBondContact O-CG 3.46Å; L261-R265 PolarHBondContact O-N 3.32Å; L261-E385 HydrophobicContact CD2-CB 4.34Å; L261-E385 HydrophobicContact CD2-CG 4.31Å
262	D	98.4	Very high	98.6	Very high	17 Å²	17	18 Å²	18	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-38.2	172.2	-77.8	-10.3	0	0	0	111.5	M258 T260 R265 F334 T335 A338	M258-D262 PolarHBondContact O-N 3.36Å; T260-D262 VanDerWaalsContact C-N 3.3Å; T260-D262 PolarHBondContact O-N 2.92Å; D262-R265 IonicContact OD1-CZ 2.97Å; D262-R265 IonicContact OD1-NH1 3.28Å; D262-R265 PolarHBondContact OD1-NH1 3.36Å; D262-F334 HydrophobicContact CB-CE2 3.92Å; D262-F334 HydrophobicContact CB-CZ 4.17Å; D262-F334 WeakPolarHBondContact O-CE2 3.47Å; D262-T335 WeakPolarHBondContact OD2-CB 3.48Å; D262-T335 WeakPolarHBondContact OD2-CG2 3.36Å; D262-T335 PolarHBondContact OD2-OG1 2.84Å; D262-A338 VanDerWaalsContact O-CB 3.27Å; D262-A338 WeakPolarHBondContact O-CB 3.43Å
263	S	98	Very high	98.6	Very high	11 Å²	11	16.9 Å²	16.9	8%	0.077	8%	0.079	C	C	.	.	H	α-helix	trans	-78	-41.2	176.1	-54.4	0	0	0	0	112.1	Y88 T260 L261 R265 I266 R328	Y88-S263 WeakPolarHBondContact OH-CB 3.15Å; T260-S263 WeakPolarHBondContact O-CB 3.47Å; T260-S263 PolarHBondContact O-N 3.32Å; L261-S263 PolarHBondContact O-N 3.16Å; S263-R265 VanDerWaalsContact C-N 3.29Å; S263-R265 PolarHBondContact O-N 3.48Å; S263-I266 WeakPolarHBondContact O-CB 3.47Å; S263-I266 PolarHBondContact O-N 3.04Å; S263-I266 VanDerWaalsContact O-N 3.1Å; S263-R328 PolarHBondContact OG-NE 3.27Å; S263-R328 VanDerWaalsContact OG-NE 3.14Å
264	G	98.5	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-34.2	177.4	0	0	0	0	0	113.6	S114 T260 L261 I266 G267 I268 E385	S114-G264 WeakPolarHBondContact OG-CA 3.42Å; T260-G264 PolarHBondContact O-N 3.27Å; L261-G264 PolarHBondContact O-N 3Å; G264-I266 VanDerWaalsContact C-N 3.25Å; G264-I266 PolarHBondContact O-N 3.37Å; G264-G267 CarbonylContact O-C 3.57Å; G264-G267 WeakPolarHBondContact O-CA 3.16Å; G264-G267 PolarHBondContact O-N 3.41Å; G264-I268 PolarHBondContact O-N 2.99Å; G264-E385 VanDerWaalsContact CA-OE2 3.24Å; G264-E385 WeakPolarHBondContact CA-OE2 3.4Å
265	R	98.9	Very high	98.7	Very high	11 Å²	11	14.5 Å²	14.5	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-57.8	-33.1	172.6	-77.2	165.2	-170.7	161.4	2.1	113.7	L261 D262 S263 A269 A338 K342 E385	L261-R265 WeakPolarHBondContact O-CB 3.3Å; L261-R265 WeakPolarHBondContact O-CD 3.35Å; L261-R265 WeakPolarHBondContact O-CG 3.46Å; L261-R265 PolarHBondContact O-N 3.32Å; D262-R265 IonicContact OD1-CZ 2.97Å; D262-R265 IonicContact OD1-NH1 3.28Å; D262-R265 PolarHBondContact OD1-NH1 3.36Å; S263-R265 VanDerWaalsContact C-N 3.29Å; S263-R265 PolarHBondContact O-N 3.48Å; R265-A269 WeakPolarHBondContact O-CB 3.28Å; R265-A269 PolarHBondContact O-N 3.14Å; R265-A338 HydrophobicContact CB-CB 4.32Å; R265-K342 HydrophobicContact CB-CB 4Å; R265-K342 HydrophobicContact CB-CG 4.19Å; R265-K342 HydrophobicContact CG-CB 4.34Å; R265-K342 HydrophobicContact CG-CG 4.22Å; R265-E385 PolarHBondContact NE-O 3.49Å
266	I	98.9	Very high	98.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.3	-42.1	173.3	-60.5	173.5	0	0	0	109.8	Y88 S263 G264 A269 A270 T321 A324 S325 R328 F334 A338	Y88-I266 HydrophobicContact CD1-CD1 4.13Å; Y88-I266 HydrophobicContact CD1-CG2 4.38Å; S263-I266 WeakPolarHBondContact O-CB 3.47Å; S263-I266 PolarHBondContact O-N 3.04Å; S263-I266 VanDerWaalsContact O-N 3.1Å; G264-I266 VanDerWaalsContact C-N 3.25Å; G264-I266 PolarHBondContact O-N 3.37Å; I266-A269 WeakPolarHBondContact O-CB 3.39Å; I266-A269 PolarHBondContact O-N 3.3Å; I266-A270 PolarHBondContact O-N 3.47Å; I266-T321 HydrophobicContact CG2-CG2 4.26Å; I266-A324 HydrophobicContact CD1-CB 3.94Å; I266-A324 HydrophobicContact CG1-CB 3.94Å; I266-S325 VanDerWaalsContact CG2-OG 3.31Å; I266-S325 WeakPolarHBondContact CG2-OG 3.49Å; I266-R328 HydrophobicContact CD1-CB 4.49Å; I266-F334 HydrophobicContact CD1-CD2 3.93Å; I266-F334 HydrophobicContact CD1-CE2 3.95Å; I266-A338 HydrophobicContact CD1-CB 4.4Å; I266-A338 HydrophobicContact CG1-CB 3.87Å
267	G	98.8	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.3	-43.7	174.5	0	0	0	0	0	113.1	Y91 V95 G264 A270 Q271	Y91-G267 WeakPolarHBondContact OH-CA 3.46Å; V95-G267 WeakPolarHBondContact CG1-O 3.44Å; G264-G267 CarbonylContact O-C 3.57Å; G264-G267 WeakPolarHBondContact O-CA 3.16Å; G264-G267 PolarHBondContact O-N 3.41Å; G267-A270 PolarHBondContact O-N 3.45Å; G267-Q271 PolarHBondContact O-N 3.16Å
268	I	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.8	-37	175.2	-61.7	-46.6	0	0	0	112.1	V107 G264 A270 Q271 A272 K342 Y384 E385	V107-I268 HydrophobicContact CG2-CD1 4.47Å; G264-I268 PolarHBondContact O-N 2.99Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-Q271 PolarHBondContact O-N 3.16Å; I268-A272 WeakPolarHBondContact O-CB 3.37Å; I268-A272 PolarHBondContact O-N 3.31Å; I268-K342 HydrophobicContact CB-CG 4.17Å; I268-K342 HydrophobicContact CG2-CD 4.38Å; I268-K342 HydrophobicContact CG2-CG 3.99Å; I268-Y384 HydrophobicContact CB-CE1 4.3Å; I268-Y384 HydrophobicContact CD1-CD1 4.32Å; I268-Y384 HydrophobicContact CD1-CE1 3.49Å; I268-Y384 VanDerWaalsContact CD1-CE1 3.49Å; I268-Y384 HydrophobicContact CD1-CE2 4.31Å; I268-Y384 VanDerWaalsContact CD1-CZ 3.49Å; I268-Y384 WeakPolarHBondContact CD1-OH 3.33Å; I268-Y384 HydrophobicContact CG1-CD1 4.34Å; I268-Y384 HydrophobicContact CG1-CE1 3.83Å; I268-Y384 HydrophobicContact CG2-CD1 4.15Å; I268-Y384 HydrophobicContact CG2-CE1 3.5Å; I268-Y384 VanDerWaalsContact CG2-CE1 3.5Å; I268-E385 HydrophobicContact CD1-CG 4.39Å; I268-E385 WeakPolarHBondContact CD1-OE1 3.25Å; I268-E385 HydrophobicContact CG1-CB 3.99Å; I268-E385 HydrophobicContact CG1-CG 3.78Å; I268-E385 VanDerWaalsContact CG1-OE1 3.24Å; I268-E385 WeakPolarHBondContact CG1-OE1 3.19Å
269	A	98.9	Very high	98.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.4	-46	173.3	0	0	0	0	0	111.1	R265 I266 Q271 A272 L273 T321 A341 K342 A345	R265-A269 WeakPolarHBondContact O-CB 3.28Å; R265-A269 PolarHBondContact O-N 3.14Å; I266-A269 WeakPolarHBondContact O-CB 3.39Å; I266-A269 PolarHBondContact O-N 3.3Å; A269-Q271 PolarHBondContact O-N 3.03Å; A269-A272 PolarHBondContact O-N 2.78Å; A269-L273 WeakPolarHBondContact O-CG 3.13Å; A269-L273 PolarHBondContact O-N 3.48Å; A269-T321 HydrophobicContact CB-CG2 3.93Å; A269-T321 WeakPolarHBondContact CB-OG1 3.4Å; A269-A341 HydrophobicContact CB-CB 4.02Å; A269-K342 HydrophobicContact CB-CB 4.47Å; A269-A345 HydrophobicContact CB-CB 4.01Å; A269-A345 WeakPolarHBondContact O-CB 3.38Å
270	A	98.9	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.4	-43.8	174.9	0	0	0	0	0	112.6	S92 V95 E96 I266 G267 I268 A272 L273 G274	S92-A270 VanDerWaalsContact O-CB 3.26Å; S92-A270 WeakPolarHBondContact O-CB 3.45Å; V95-A270 HydrophobicContact CB-CB 3.92Å; V95-A270 HydrophobicContact CG1-CB 3.89Å; E96-A270 WeakPolarHBondContact CA-O 3.29Å; E96-A270 HydrophobicContact CB-CB 4.37Å; I266-A270 PolarHBondContact O-N 3.47Å; G267-A270 PolarHBondContact O-N 3.45Å; I268-A270 VanDerWaalsContact C-N 3.34Å; A270-A272 PolarHBondContact O-N 2.89Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 3.31Å; A270-G274 PolarHBondContact O-N 3.48Å
271	Q	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.8	-44.7	176.9	-177.9	-147	28.4	0	0	111.9	V95 S99 A103 G267 I268 A269 L273 G274 I275 Y384	V95-Q271 HydrophobicContact CG1-CB 4.06Å; S99-Q271 WeakPolarHBondContact CB-O 3.35Å; S99-Q271 WeakPolarHBondContact OG-CA 3.44Å; S99-Q271 WeakPolarHBondContact OG-CB 3.42Å; S99-Q271 VanDerWaalsContact OG-CG 3.27Å; S99-Q271 WeakPolarHBondContact OG-CG 3.38Å; A103-Q271 PolarHBondContact O-NE2 3.21Å; G267-Q271 PolarHBondContact O-N 3.16Å; I268-Q271 PolarHBondContact O-N 3.16Å; A269-Q271 PolarHBondContact O-N 3.03Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.18Å; Q271-G274 PolarHBondContact O-N 3.05Å; Q271-G274 VanDerWaalsContact O-N 3.15Å; Q271-I275 HydrophobicContact CG-CD1 4.28Å; Q271-I275 WeakPolarHBondContact O-CG1 3.38Å; Q271-I275 PolarHBondContact O-N 3.47Å; Q271-Y384 PolarHBondContact NE2-OH 2.81Å; Q271-Y384 VanDerWaalsContact NE2-OH 3.09Å; Q271-Y384 PolarHBondContact OE1-OH 2.89Å
272	A	99	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.5	-40.3	176.2	0	0	0	0	0	111.6	I268 A269 A270 G274 I275 A276 A345 A349 T381	I268-A272 WeakPolarHBondContact O-CB 3.37Å; I268-A272 PolarHBondContact O-N 3.31Å; A269-A272 PolarHBondContact O-N 2.78Å; A270-A272 PolarHBondContact O-N 2.89Å; A272-G274 PolarHBondContact O-N 3.28Å; A272-I275 PolarHBondContact O-N 3.02Å; A272-A276 WeakPolarHBondContact O-CB 3.33Å; A272-A276 PolarHBondContact O-N 3.32Å; A272-A345 HydrophobicContact CB-CB 3.96Å; A272-A345 WeakPolarHBondContact CB-O 3.38Å; A272-A349 HydrophobicContact CB-CB 3.95Å; A272-A349 WeakPolarHBondContact O-CB 3.46Å; A272-T381 HydrophobicContact CB-CG2 4.06Å
273	L	98.9	Very high	98.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-43.4	172.6	-73	167.5	0	0	0	112.4	E96 A269 A270 Q271 I275 A276 Q277 I314 A317 R318 T321 A345	E96-L273 HydrophobicContact CG-CB 3.9Å; A269-L273 WeakPolarHBondContact O-CG 3.13Å; A269-L273 PolarHBondContact O-N 3.48Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 3.31Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.18Å; L273-I275 PolarHBondContact O-N 3.15Å; L273-A276 PolarHBondContact O-N 2.91Å; L273-Q277 WeakPolarHBondContact O-CB 3.42Å; L273-Q277 PolarHBondContact O-N 3.43Å; L273-I314 HydrophobicContact CD2-CG2 4.36Å; L273-I314 WeakPolarHBondContact CD2-O 3.32Å; L273-A317 HydrophobicContact CD2-CB 3.74Å; L273-R318 HydrophobicContact CD1-CB 4.12Å; L273-R318 HydrophobicContact CD1-CG 4.36Å; L273-R318 HydrophobicContact CD2-CB 4.07Å; L273-T321 HydrophobicContact CD1-CG2 4.08Å; L273-T321 WeakPolarHBondContact CD1-OG1 3.26Å; L273-A345 HydrophobicContact CD2-CB 4.46Å; L273-A345 HydrophobicContact CG-CB 4.12Å
274	G	98.9	Very high	98.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.3	-44	176.2	0	0	0	0	0	112.5	E96 R100 A270 Q271 A272 Q277 A278	E96-G274 VanDerWaalsContact O-CA 3.27Å; E96-G274 WeakPolarHBondContact O-CA 3.39Å; R100-G274 WeakPolarHBondContact CA-O 3.28Å; A270-G274 PolarHBondContact O-N 3.48Å; Q271-G274 PolarHBondContact O-N 3.05Å; Q271-G274 VanDerWaalsContact O-N 3.15Å; A272-G274 PolarHBondContact O-N 3.28Å; G274-Q277 PolarHBondContact O-N 2.64Å; G274-A278 WeakPolarHBondContact O-CB 3.41Å; G274-A278 PolarHBondContact O-N 2.91Å
275	I	99	Very high	98.9	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-63.3	-44.8	175.9	-62.5	163.2	0	0	0	111	A103 Q271 A272 L273 A278 S279 H374 D377 A378 T381	A103-I275 HydrophobicContact CB-CD1 3.76Å; A103-I275 HydrophobicContact CB-CG1 3.76Å; Q271-I275 HydrophobicContact CG-CD1 4.28Å; Q271-I275 WeakPolarHBondContact O-CG1 3.38Å; Q271-I275 PolarHBondContact O-N 3.47Å; A272-I275 PolarHBondContact O-N 3.02Å; L273-I275 PolarHBondContact O-N 3.15Å; I275-A278 PolarHBondContact O-N 3Å; I275-S279 WeakPolarHBondContact O-CB 3.49Å; I275-S279 PolarHBondContact O-N 3.49Å; I275-S279 PolarHBondContact O-OG 3.13Å; I275-H374 HydrophobicContact CG2-CB 4.23Å; I275-H374 WeakPolarHBondContact CG2-O 3.18Å; I275-D377 HydrophobicContact CD1-CB 4.23Å; I275-A378 HydrophobicContact CG2-CB 3.91Å; I275-T381 HydrophobicContact CD1-CG2 4.01Å
276	A	98.9	Very high	98.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-43.6	179.1	0	0	0	0	0	111.4	A272 L273 S279 L280 I314 A349 C352	A272-A276 WeakPolarHBondContact O-CB 3.33Å; A272-A276 PolarHBondContact O-N 3.32Å; L273-A276 PolarHBondContact O-N 2.91Å; A276-S279 WeakPolarHBondContact O-CB 3.18Å; A276-S279 PolarHBondContact O-N 3.33Å; A276-L280 PolarHBondContact O-N 2.81Å; A276-I314 HydrophobicContact CB-CD1 4Å; A276-I314 HydrophobicContact CB-CG1 3.72Å; A276-I314 WeakPolarHBondContact O-CD1 3.45Å; A276-A349 HydrophobicContact CB-CB 4.24Å; A276-C352 HydrophobicContact CB-CB 4.16Å
277	Q	98.9	Very high	98.8	Very high	29 Å²	29	14.8 Å²	14.8	14%	0.136	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-48.3	177.3	-171.5	64	58.3	0	0	111.4	L273 G274 S279 L280 D281	L273-Q277 WeakPolarHBondContact O-CB 3.42Å; L273-Q277 PolarHBondContact O-N 3.43Å; G274-Q277 PolarHBondContact O-N 2.64Å; Q277-S279 PolarHBondContact O-N 2.9Å; Q277-L280 PolarHBondContact O-N 2.97Å; Q277-L280 VanDerWaalsContact O-N 3.14Å; Q277-D281 PolarHBondContact NE2-OD1 3.47Å; Q277-D281 PolarHBondContact O-N 2.9Å
278	A	98.9	Very high	98.8	Very high	10 Å²	10	21.7 Å²	21.7	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-37.6	176.2	0	0	0	0	0	112.1	R100 G274 I275 C282	R100-A278 HydrophobicContact CG-CB 3.94Å; R100-A278 WeakPolarHBondContact O-CB 3.37Å; G274-A278 WeakPolarHBondContact O-CB 3.41Å; G274-A278 PolarHBondContact O-N 2.91Å; I275-A278 PolarHBondContact O-N 3Å; A278-C282 VanDerWaalsContact O-CB 3.26Å; A278-C282 WeakPolarHBondContact O-CB 3.5Å; A278-C282 PolarHBondContact O-N 2.92Å
279	S	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-44.8	176	-57.5	0	0	0	0	112.3	I275 A276 Q277 A283 S353 A356 H374	I275-S279 WeakPolarHBondContact O-CB 3.49Å; I275-S279 PolarHBondContact O-N 3.49Å; I275-S279 PolarHBondContact O-OG 3.13Å; A276-S279 WeakPolarHBondContact O-CB 3.18Å; A276-S279 PolarHBondContact O-N 3.33Å; Q277-S279 PolarHBondContact O-N 2.9Å; S279-A283 WeakPolarHBondContact O-CB 3.33Å; S279-A283 PolarHBondContact O-N 3.21Å; S279-S353 WeakPolarHBondContact OG-CA 3.36Å; S279-S353 WeakPolarHBondContact OG-CB 3.44Å; S279-A356 WeakPolarHBondContact O-CB 3.49Å; S279-H374 WeakPolarHBondContact OG-CB 3.17Å
280	L	98.9	Very high	98.7	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-46.8	175.9	175	60.2	0	0	0	111.6	A276 Q277 C282 A283 A284 L307 M310 A311 I314	A276-L280 PolarHBondContact O-N 2.81Å; Q277-L280 PolarHBondContact O-N 2.97Å; Q277-L280 VanDerWaalsContact O-N 3.14Å; L280-C282 VanDerWaalsContact C-N 3.33Å; L280-C282 PolarHBondContact O-N 3.46Å; L280-A283 PolarHBondContact O-N 3.29Å; L280-A284 VanDerWaalsContact O-CB 3.28Å; L280-A284 WeakPolarHBondContact O-CB 3.27Å; L280-A284 PolarHBondContact O-N 2.91Å; L280-L307 HydrophobicContact CD1-CD2 3.82Å; L280-M310 HydrophobicContact CB-CE 3.98Å; L280-M310 HydrophobicContact CD1-CB 3.97Å; L280-M310 HydrophobicContact CD1-CE 3.93Å; L280-M310 HydrophobicContact CD1-SD 4.41Å; L280-A311 HydrophobicContact CD2-CB 4.14Å; L280-I314 HydrophobicContact CB-CD1 3.78Å; L280-I314 HydrophobicContact CD2-CD1 3.78Å; L280-I314 HydrophobicContact CG-CD1 4.41Å
281	D	98.8	Very high	98.7	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-60	-45.1	-179.7	-64.3	-15.5	0	0	0	110.6	Q277 A284 D285	Q277-D281 PolarHBondContact NE2-OD1 3.47Å; Q277-D281 PolarHBondContact O-N 2.9Å; D281-A284 PolarHBondContact O-N 3.49Å; D281-D285 WeakPolarHBondContact O-CB 3.45Å; D281-D285 PolarHBondContact O-N 2.89Å
282	C	98.7	Very high	98.6	Very high	21 Å²	21	40.1 Å²	40.1	14%	0.142	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.3	-178.3	0	0	0	0	112.1	A278 L280 Y286	A278-C282 VanDerWaalsContact O-CB 3.26Å; A278-C282 WeakPolarHBondContact O-CB 3.5Å; A278-C282 PolarHBondContact O-N 2.92Å; L280-C282 VanDerWaalsContact C-N 3.33Å; L280-C282 PolarHBondContact O-N 3.46Å; C282-Y286 WeakPolarHBondContact O-CB 3.33Å; C282-Y286 PolarHBondContact O-N 3.46Å
283	A	98.8	Very high	98.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-42.7	-179.9	0	0	0	0	0	112.4	S279 L280 A287 L307 M310 A356 I359 L360	S279-A283 WeakPolarHBondContact O-CB 3.33Å; S279-A283 PolarHBondContact O-N 3.21Å; L280-A283 PolarHBondContact O-N 3.29Å; A283-A287 WeakPolarHBondContact O-CB 3.48Å; A283-A287 PolarHBondContact O-N 3.34Å; A283-L307 HydrophobicContact CB-CD2 4.17Å; A283-M310 HydrophobicContact CB-CE 4.2Å; A283-A356 HydrophobicContact CB-CB 4.02Å; A283-I359 HydrophobicContact CB-CB 4.35Å; A283-I359 HydrophobicContact CB-CD1 3.92Å; A283-I359 HydrophobicContact CB-CG2 4.28Å; A283-L360 HydrophobicContact CB-CD1 4.48Å
284	A	98.6	Very high	98.5	Very high	38 Å²	38	53.8 Å²	53.8	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-45.9	-179.3	0	0	0	0	0	111.6	L280 D281 A287 H288 L307	L280-A284 VanDerWaalsContact O-CB 3.28Å; L280-A284 WeakPolarHBondContact O-CB 3.27Å; L280-A284 PolarHBondContact O-N 2.91Å; D281-A284 PolarHBondContact O-N 3.49Å; A284-A287 PolarHBondContact O-N 3.48Å; A284-H288 WeakPolarHBondContact O-CB 3.45Å; A284-H288 PolarHBondContact O-N 2.94Å; A284-L307 HydrophobicContact CB-CD2 4.23Å
285	D	98.5	Very high	98.5	Very high	80 Å²	80	55.6 Å²	55.6	43%	0.428	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-47.6	176.1	-177.9	70.5	0	0	0	111.3	D281 A287 H288 K289	D281-D285 WeakPolarHBondContact O-CB 3.45Å; D281-D285 PolarHBondContact O-N 2.89Å; D285-A287 VanDerWaalsContact C-N 3.35Å; D285-A287 PolarHBondContact O-N 3.27Å; D285-H288 PolarHBondContact O-N 2.95Å; D285-K289 WeakPolarHBondContact O-CG 3.45Å; D285-K289 PolarHBondContact O-N 3.45Å; D285-K289 WeakPolarHBondContact OD1-CE 3.17Å; D285-K289 IonicContact OD1-NZ 3.56Å; D285-K289 PolarHBondContact OD1-NZ 3.49Å; D285-K289 WeakPolarHBondContact OD2-CE 3.46Å; D285-K289 IonicContact OD2-NZ 2.75Å; D285-K289 PolarHBondContact OD2-NZ 2.92Å
286	Y	98.7	Very high	98.5	Very high	39 Å²	39	57.7 Å²	57.7	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-43.2	177.1	-169.4	-93.9	0	0	0	111.6	C282 H288 K289 R290 I297 L360 M363 M369	C282-Y286 WeakPolarHBondContact O-CB 3.33Å; C282-Y286 PolarHBondContact O-N 3.46Å; Y286-H288 PolarHBondContact O-N 3.37Å; Y286-K289 PolarHBondContact O-N 3.04Å; Y286-R290 HydrophobicContact CD1-CB 3.88Å; Y286-R290 HydrophobicContact CD1-CG 4.4Å; Y286-R290 HydrophobicContact CE1-CB 3.55Å; Y286-R290 HydrophobicContact CE1-CG 3.62Å; Y286-R290 HydrophobicContact CG-CB 4.5Å; Y286-R290 VanDerWaalsContact O-CB 3.23Å; Y286-R290 WeakPolarHBondContact O-CB 3.42Å; Y286-R290 PolarHBondContact O-N 3.35Å; Y286-I297 HydrophobicContact CD1-CD1 4.15Å; Y286-I297 HydrophobicContact CE1-CD1 4.28Å; Y286-L360 HydrophobicContact CD1-CB 4.35Å; Y286-L360 HydrophobicContact CD1-CD1 4.18Å; Y286-L360 HydrophobicContact CD1-CG 3.89Å; Y286-L360 HydrophobicContact CD2-CG 4.08Å; Y286-L360 HydrophobicContact CE1-CB 4.41Å; Y286-L360 HydrophobicContact CE1-CG 4.35Å; Y286-L360 HydrophobicContact CG-CD1 4.02Å; Y286-L360 HydrophobicContact CG-CG 3.75Å; Y286-M363 HydrophobicContact CE2-CB 4.37Å; Y286-M363 HydrophobicContact CE2-CG 4.45Å; Y286-M369 HydrophobicContact CD2-CE 4.09Å
287	A	98.5	Very high	98.4	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-30.6	179.4	0	0	0	0	0	113.2	A283 A284 D285 I297 G298 I303 L307 I359	A283-A287 WeakPolarHBondContact O-CB 3.48Å; A283-A287 PolarHBondContact O-N 3.34Å; A284-A287 PolarHBondContact O-N 3.48Å; D285-A287 VanDerWaalsContact C-N 3.35Å; D285-A287 PolarHBondContact O-N 3.27Å; A287-I297 VanDerWaalsContact CA-CG1 3.48Å; A287-I297 HydrophobicContact CB-CD1 4.31Å; A287-I297 HydrophobicContact CB-CG1 3.95Å; A287-I297 WeakPolarHBondContact O-CG1 3.42Å; A287-I297 PolarHBondContact O-N 3.35Å; A287-G298 PolarHBondContact O-N 2.86Å; A287-I303 HydrophobicContact CB-CG2 3.96Å; A287-L307 HydrophobicContact CB-CD1 4.37Å; A287-I359 HydrophobicContact CB-CG2 4.1Å
288	H	97.2	Very high	98.4	Very high	146 Å²	146	58.1 Å²	58.1	68%	0.676	33%	0.326	S	S	*	.	H	α-helix	trans	-72.5	-35	175.9	-171.4	73.4	0	0	0	112.6	A284 D285 Y286	A284-H288 WeakPolarHBondContact O-CB 3.45Å; A284-H288 PolarHBondContact O-N 2.94Å; D285-H288 PolarHBondContact O-N 2.95Å; Y286-H288 PolarHBondContact O-N 3.37Å
289	K	98.3	Very high	98.4	Very high	136 Å²	136	65 Å²	65	59%	0.591	35%	0.354	S	S	*	.	H	α-helix	trans	-93.4	-38	-174.4	-67.4	169.8	-179.2	165.3	0	113.8	D285 Y286	D285-K289 WeakPolarHBondContact O-CG 3.45Å; D285-K289 PolarHBondContact O-N 3.45Å; D285-K289 WeakPolarHBondContact OD1-CE 3.17Å; D285-K289 IonicContact OD1-NZ 3.56Å; D285-K289 PolarHBondContact OD1-NZ 3.49Å; D285-K289 WeakPolarHBondContact OD2-CE 3.46Å; D285-K289 IonicContact OD2-NZ 2.75Å; D285-K289 PolarHBondContact OD2-NZ 2.92Å; Y286-K289 PolarHBondContact O-N 3.04Å
290	R	98.4	Very high	98.4	Very high	134 Å²	134	68.4 Å²	68.4	51%	0.506	37%	0.372	S	S	.	.			trans	-73.1	129.4	-175.5	177.4	61.6	-179.3	-173.8	-1.4	110.7	Y286 P296 I297	Y286-R290 HydrophobicContact CD1-CB 3.88Å; Y286-R290 HydrophobicContact CD1-CG 4.4Å; Y286-R290 HydrophobicContact CE1-CB 3.55Å; Y286-R290 HydrophobicContact CE1-CG 3.62Å; Y286-R290 HydrophobicContact CG-CB 4.5Å; Y286-R290 VanDerWaalsContact O-CB 3.23Å; Y286-R290 WeakPolarHBondContact O-CB 3.42Å; Y286-R290 PolarHBondContact O-N 3.35Å; R290-P296 CarbonylContact O-C 3.33Å; R290-P296 VanDerWaalsContact O-CA 3.27Å; R290-P296 WeakPolarHBondContact O-CA 3.49Å; R290-I297 HydrophobicContact CB-CD1 4.08Å; R290-I297 HydrophobicContact CB-CG1 4.24Å; R290-I297 HydrophobicContact CG-CD1 4.12Å; R290-I297 HydrophobicContact CG-CG2 4.16Å; R290-I297 PolarHBondContact O-N 3.48Å
291	T	98.5	Very high	98.4	Very high	84 Å²	84	73.6 Å²	73.6	52%	0.515	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.7	175.2	56.5	0	0	0	0	112.4	A295	T291-A295 CarbonylContact C-O 3.5Å; T291-A295 VanDerWaalsContact CA-O 3.25Å; T291-A295 WeakPolarHBondContact CA-O 3.15Å
292	A	98.2	Very high	98.3	Very high	33 Å²	33	73.5 Å²	73.5	27%	0.273	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.1	167	0	0	0	0	0	108.7	G294 A295 I297	A292-G294 PolarHBondContact O-N 3.47Å; A292-G294 VanDerWaalsContact O-N 3.13Å; A292-A295 PolarHBondContact N-O 2.96Å; A292-A295 PolarHBondContact O-N 2.86Å; A292-I297 HydrophobicContact CB-CG2 3.7Å
293	F	97.7	Very high	98.3	Very high	201 Å²	201	73.7 Å²	73.7	88%	0.882	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.9	-177.5	-50.4	-78.9	0	0	0	113.5	A295	F293-A295 PolarHBondContact O-N 2.99Å
294	G	97.6	Very high	98.3	Very high	86 Å²	86	78 Å²	78	89%	0.887	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	1.1	175.6	0	0	0	0	0	116.6	A292	A292-G294 PolarHBondContact O-N 3.47Å; A292-G294 VanDerWaalsContact O-N 3.13Å
295	A	98.1	Very high	98.4	Very high	37 Å²	37	81.9 Å²	81.9	31%	0.306	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164	179.2	0	0	0	0	0	112.2	T291 A292 F293 I297 K299	T291-A295 CarbonylContact C-O 3.5Å; T291-A295 VanDerWaalsContact CA-O 3.25Å; T291-A295 WeakPolarHBondContact CA-O 3.15Å; A292-A295 PolarHBondContact N-O 2.96Å; A292-A295 PolarHBondContact O-N 2.86Å; F293-A295 PolarHBondContact O-N 2.99Å; A295-I297 PolarHBondContact O-N 2.95Å; A295-K299 HydrophobicContact CB-CB 4.49Å
296	P	98.6	Very high	98.4	Very high	47 Å²	47	81.1 Å²	81.1	31%	0.305	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	137.6	168.3	-27.8	36.5	0	0	0	112	R290 G298 K299	R290-P296 CarbonylContact O-C 3.33Å; R290-P296 VanDerWaalsContact O-CA 3.27Å; R290-P296 WeakPolarHBondContact O-CA 3.49Å; P296-G298 PolarHBondContact O-N 3.47Å; P296-G298 VanDerWaalsContact O-N 3.14Å; P296-K299 WeakPolarHBondContact O-CB 3.27Å; P296-K299 PolarHBondContact O-N 3.3Å
297	I	98.8	Very high	98.4	Very high	16 Å²	16	81 Å²	81	8%	0.082	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-63.8	-22.9	-177.1	65.5	174.2	0	0	0	112.3	Y286 A287 R290 A292 A295 K299 L300 I303 I359	Y286-I297 HydrophobicContact CD1-CD1 4.15Å; Y286-I297 HydrophobicContact CE1-CD1 4.28Å; A287-I297 VanDerWaalsContact CA-CG1 3.48Å; A287-I297 HydrophobicContact CB-CD1 4.31Å; A287-I297 HydrophobicContact CB-CG1 3.95Å; A287-I297 WeakPolarHBondContact O-CG1 3.42Å; A287-I297 PolarHBondContact O-N 3.35Å; R290-I297 HydrophobicContact CB-CD1 4.08Å; R290-I297 HydrophobicContact CB-CG1 4.24Å; R290-I297 HydrophobicContact CG-CD1 4.12Å; R290-I297 HydrophobicContact CG-CG2 4.16Å; R290-I297 PolarHBondContact O-N 3.48Å; A292-I297 HydrophobicContact CB-CG2 3.7Å; A295-I297 PolarHBondContact O-N 2.95Å; I297-K299 PolarHBondContact O-N 3.21Å; I297-K299 VanDerWaalsContact O-N 3.12Å; I297-L300 HydrophobicContact CB-CD1 4.19Å; I297-L300 HydrophobicContact CG2-CD1 4.38Å; I297-L300 VanDerWaalsContact O-CB 3.27Å; I297-L300 WeakPolarHBondContact O-CB 3.5Å; I297-L300 WeakPolarHBondContact O-CG 3.33Å; I297-L300 PolarHBondContact O-N 3.06Å; I297-I303 WeakPolarHBondContact O-CB 3.33Å; I297-I303 WeakPolarHBondContact O-CG1 3.26Å; I297-I359 HydrophobicContact CD1-CG2 4.31Å
298	G	98.1	Very high	98.4	Very high	21 Å²	21	83.3 Å²	83.3	22%	0.216	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-62.5	-10.4	170	0	0	0	0	0	114.7	A287 P296 Q304	A287-G298 PolarHBondContact O-N 2.86Å; P296-G298 PolarHBondContact O-N 3.47Å; P296-G298 VanDerWaalsContact O-N 3.14Å; G298-Q304 VanDerWaalsContact O-CG 3.25Å; G298-Q304 WeakPolarHBondContact O-CG 3.39Å; G298-Q304 PolarHBondContact O-NE2 3.18Å
299	K	98.3	Very high	98.5	Very high	156 Å²	156	80.8 Å²	80.8	68%	0.678	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-84.2	-13.5	169.9	-63.5	-63.9	-174.2	-179	0	113.3	A295 P296 I297	A295-K299 HydrophobicContact CB-CB 4.49Å; P296-K299 WeakPolarHBondContact O-CB 3.27Å; P296-K299 PolarHBondContact O-N 3.3Å; I297-K299 PolarHBondContact O-N 3.21Å; I297-K299 VanDerWaalsContact O-N 3.12Å
300	L	98.6	Very high	98.5	Very high	71 Å²	71	74.3 Å²	74.3	37%	0.372	41%	0.411	S	S	.	.	S	Bend	trans	-76.9	125.2	176.8	-55.6	175.3	0	0	0	109.4	I297 A302 I303 Q304	I297-L300 HydrophobicContact CB-CD1 4.19Å; I297-L300 HydrophobicContact CG2-CD1 4.38Å; I297-L300 VanDerWaalsContact O-CB 3.27Å; I297-L300 WeakPolarHBondContact O-CB 3.5Å; I297-L300 WeakPolarHBondContact O-CG 3.33Å; I297-L300 PolarHBondContact O-N 3.06Å; L300-A302 PolarHBondContact O-N 2.87Å; L300-I303 HydrophobicContact CB-CB 4.46Å; L300-I303 HydrophobicContact CB-CG1 4.05Å; L300-I303 HydrophobicContact CD1-CG1 4.43Å; L300-I303 WeakPolarHBondContact O-CB 3.43Å; L300-I303 PolarHBondContact O-N 2.99Å; L300-Q304 PolarHBondContact O-N 3.46Å; L300-Q304 VanDerWaalsContact O-N 3.13Å
301	Q	98.6	Very high	98.5	Very high	131 Å²	131	69.7 Å²	69.7	61%	0.612	40%	0.401	S	S	*	.	H	α-helix	trans	-55.3	-39.2	-177	-173.7	179.1	48.6	0	0	112.7	I303 Q304 F305	Q301-I303 PolarHBondContact O-N 3.4Å; Q301-Q304 PolarHBondContact O-N 3.39Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q301-F305 HydrophobicContact CG-CD1 4.22Å; Q301-F305 HydrophobicContact CG-CE1 3.75Å; Q301-F305 HydrophobicContact CG-CE2 4.15Å; Q301-F305 HydrophobicContact CG-CZ 3.71Å; Q301-F305 PolarHBondContact O-N 2.96Å
302	A	98.6	Very high	98.5	Very high	66 Å²	66	70.6 Å²	70.6	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-29.7	177.7	0	0	0	0	0	113.4	L300 K306	L300-A302 PolarHBondContact O-N 2.87Å; A302-K306 WeakPolarHBondContact O-CG 3.41Å; A302-K306 PolarHBondContact O-N 3.16Å
303	I	98.8	Very high	98.6	Very high	24 Å²	24	70.4 Å²	70.4	12%	0.123	41%	0.405	C	S	.	.	H	α-helix	trans	-77.5	-40.6	174.5	-60.3	-63.1	0	0	0	110.2	A287 I297 L300 Q301 F305 K306 L307 I359	A287-I303 HydrophobicContact CB-CG2 3.96Å; I297-I303 WeakPolarHBondContact O-CB 3.33Å; I297-I303 WeakPolarHBondContact O-CG1 3.26Å; L300-I303 HydrophobicContact CB-CB 4.46Å; L300-I303 HydrophobicContact CB-CG1 4.05Å; L300-I303 HydrophobicContact CD1-CG1 4.43Å; L300-I303 WeakPolarHBondContact O-CB 3.43Å; L300-I303 PolarHBondContact O-N 2.99Å; Q301-I303 PolarHBondContact O-N 3.4Å; I303-F305 VanDerWaalsContact C-N 3.34Å; I303-F305 PolarHBondContact O-N 3.01Å; I303-K306 WeakPolarHBondContact O-CB 3.22Å; I303-K306 PolarHBondContact O-N 3.3Å; I303-L307 HydrophobicContact CG2-CD1 4.2Å; I303-L307 HydrophobicContact CG2-CG 4.46Å; I303-L307 WeakPolarHBondContact O-CG 3.32Å; I303-L307 PolarHBondContact O-N 2.89Å; I303-I359 HydrophobicContact CD1-CG1 4.19Å; I303-I359 HydrophobicContact CG2-CG2 4.48Å
304	Q	98.8	Very high	98.6	Very high	91 Å²	91	60.9 Å²	60.9	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-42.2	176.8	-66.2	174.9	5.7	0	0	112.2	G298 L300 Q301 K306 L307 A308	G298-Q304 VanDerWaalsContact O-CG 3.25Å; G298-Q304 WeakPolarHBondContact O-CG 3.39Å; G298-Q304 PolarHBondContact O-NE2 3.18Å; L300-Q304 PolarHBondContact O-N 3.46Å; L300-Q304 VanDerWaalsContact O-N 3.13Å; Q301-Q304 PolarHBondContact O-N 3.39Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; Q304-K306 PolarHBondContact O-N 2.89Å; Q304-L307 PolarHBondContact O-N 3.36Å; Q304-A308 WeakPolarHBondContact O-CB 3.4Å; Q304-A308 PolarHBondContact O-N 3.21Å
305	F	98.8	Very high	98.6	Very high	120 Å²	120	61.4 Å²	61.4	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-43.1	175.5	-72.8	0.2	0	0	0	111.7	Q301 I303 L307 A308 D309	Q301-F305 HydrophobicContact CG-CD1 4.22Å; Q301-F305 HydrophobicContact CG-CE1 3.75Å; Q301-F305 HydrophobicContact CG-CE2 4.15Å; Q301-F305 HydrophobicContact CG-CZ 3.71Å; Q301-F305 PolarHBondContact O-N 2.96Å; I303-F305 VanDerWaalsContact C-N 3.34Å; I303-F305 PolarHBondContact O-N 3.01Å; F305-L307 PolarHBondContact O-N 3.4Å; F305-A308 PolarHBondContact O-N 3.14Å; F305-D309 VanDerWaalsContact O-CG 3.25Å; F305-D309 PolarHBondContact O-N 2.75Å
306	K	98.9	Very high	98.6	Very high	64 Å²	64	62.9 Å²	62.9	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-47.7	176.3	-70.7	171.4	178.5	-49.4	0	112.3	A302 I303 Q304 A308 D309 M310 Q355 I359	A302-K306 WeakPolarHBondContact O-CG 3.41Å; A302-K306 PolarHBondContact O-N 3.16Å; I303-K306 WeakPolarHBondContact O-CB 3.22Å; I303-K306 PolarHBondContact O-N 3.3Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; Q304-K306 PolarHBondContact O-N 2.89Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.46Å; K306-D309 PolarHBondContact O-N 3.18Å; K306-M310 WeakPolarHBondContact O-CB 3.48Å; K306-M310 WeakPolarHBondContact O-CG 3.47Å; K306-M310 PolarHBondContact O-N 3.05Å; K306-Q355 VanDerWaalsContact CD-NE2 3.34Å; K306-I359 HydrophobicContact CB-CD1 4.05Å; K306-I359 HydrophobicContact CD-CG1 4.23Å
307	L	98.6	Very high	98.6	Very high	36 Å²	36	60.7 Å²	60.7	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-38.9	178.3	-66.3	174.8	0	0	0	111.6	L280 A283 A284 A287 I303 Q304 F305 M310 A311 I359	L280-L307 HydrophobicContact CD1-CD2 3.82Å; A283-L307 HydrophobicContact CB-CD2 4.17Å; A284-L307 HydrophobicContact CB-CD2 4.23Å; A287-L307 HydrophobicContact CB-CD1 4.37Å; I303-L307 HydrophobicContact CG2-CD1 4.2Å; I303-L307 HydrophobicContact CG2-CG 4.46Å; I303-L307 WeakPolarHBondContact O-CG 3.32Å; I303-L307 PolarHBondContact O-N 2.89Å; Q304-L307 PolarHBondContact O-N 3.36Å; F305-L307 PolarHBondContact O-N 3.4Å; L307-M310 HydrophobicContact CD2-SD 4.5Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 2.73Å; L307-I359 HydrophobicContact CD2-CD1 3.97Å; L307-I359 HydrophobicContact CG-CD1 4.44Å
308	A	98.8	Very high	98.6	Very high	50 Å²	50	60.3 Å²	60.3	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-48.3	175.6	0	0	0	0	0	111.8	Q304 F305 K306 M310 A311 V312	Q304-A308 WeakPolarHBondContact O-CB 3.4Å; Q304-A308 PolarHBondContact O-N 3.21Å; F305-A308 PolarHBondContact O-N 3.14Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.46Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 2.98Å; A308-A311 PolarHBondContact O-N 2.9Å; A308-V312 WeakPolarHBondContact O-CG2 3.36Å; A308-V312 PolarHBondContact O-N 2.81Å
309	D	98.9	Very high	98.6	Very high	93 Å²	93	63.6 Å²	63.6	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-40.6	179.2	-67.8	-19.7	0	0	0	111.7	F305 K306 V312 A313 F351	F305-D309 VanDerWaalsContact O-CG 3.25Å; F305-D309 PolarHBondContact O-N 2.75Å; K306-D309 PolarHBondContact O-N 3.18Å; D309-V312 PolarHBondContact O-N 3.26Å; D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 3.31Å; D309-F351 HydrophobicContact CB-CE1 4.21Å; D309-F351 HydrophobicContact CB-CZ 4Å
310	M	98.9	Very high	98.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-48.2	174.3	-71.1	168	68.2	0	0	111.3	L280 A283 K306 L307 A308 V312 A313 I314 F351 C352 Q355 I359	L280-M310 HydrophobicContact CB-CE 3.98Å; L280-M310 HydrophobicContact CD1-CB 3.97Å; L280-M310 HydrophobicContact CD1-CE 3.93Å; L280-M310 HydrophobicContact CD1-SD 4.41Å; A283-M310 HydrophobicContact CB-CE 4.2Å; K306-M310 WeakPolarHBondContact O-CB 3.48Å; K306-M310 WeakPolarHBondContact O-CG 3.47Å; K306-M310 PolarHBondContact O-N 3.05Å; L307-M310 HydrophobicContact CD2-SD 4.5Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 2.98Å; M310-V312 PolarHBondContact O-N 3.29Å; M310-A313 PolarHBondContact O-N 3.01Å; M310-I314 VanDerWaalsContact O-CG1 3.27Å; M310-I314 WeakPolarHBondContact O-CG1 3.34Å; M310-I314 PolarHBondContact O-N 3.47Å; M310-F351 HydrophobicContact CG-CD1 4.49Å; M310-F351 HydrophobicContact CG-CE1 3.92Å; M310-C352 HydrophobicContact CE-CB 3.99Å; M310-C352 WeakPolarHBondContact CE-O 3.29Å; M310-C352 HydrophobicContact CG-CB 4.39Å; M310-Q355 HydrophobicContact CE-CB 4.43Å; M310-Q355 HydrophobicContact CG-CB 4.1Å; M310-Q355 HydrophobicContact SD-CB 3.58Å; M310-Q355 VanDerWaalsContact SD-CB 3.58Å; M310-I359 HydrophobicContact SD-CD1 4.07Å
311	A	98.7	Very high	98.6	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-44.6	178.9	0	0	0	0	0	112.1	L280 L307 A308 A313 I314 E315	L280-A311 HydrophobicContact CD2-CB 4.14Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 2.73Å; A308-A311 PolarHBondContact O-N 2.9Å; A311-A313 PolarHBondContact O-N 2.91Å; A311-I314 PolarHBondContact O-N 3.45Å; A311-E315 WeakPolarHBondContact O-CG 3.32Å; A311-E315 PolarHBondContact O-N 3.03Å
312	V	98.7	Very high	98.5	Very high	103 Å²	103	50.2 Å²	50.2	62%	0.624	28%	0.284	S	S	*	.	H	α-helix	trans	-61.8	-44.2	177.4	170.4	0	0	0	0	111.5	A308 D309 M310 I314 S316	A308-V312 WeakPolarHBondContact O-CG2 3.36Å; A308-V312 PolarHBondContact O-N 2.81Å; D309-V312 PolarHBondContact O-N 3.26Å; M310-V312 PolarHBondContact O-N 3.29Å; V312-I314 VanDerWaalsContact C-N 3.34Å; V312-I314 PolarHBondContact O-N 2.92Å; V312-S316 VanDerWaalsContact O-CB 3.22Å; V312-S316 WeakPolarHBondContact O-CB 3.14Å; V312-S316 PolarHBondContact O-N 3.35Å
313	A	98.9	Very high	98.5	Very high	28 Å²	28	49.8 Å²	49.8	23%	0.231	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-44.2	178.7	0	0	0	0	0	111.7	D309 M310 A311 A317 A348 F351	D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 3.31Å; M310-A313 PolarHBondContact O-N 3.01Å; A311-A313 PolarHBondContact O-N 2.91Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 3.16Å; A313-A348 HydrophobicContact CB-CB 4.06Å; A313-F351 HydrophobicContact CB-CD1 4.36Å
314	I	98.7	Very high	98.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-52.4	179	-68.4	167.1	0	0	0	110.8	L273 A276 L280 M310 A311 V312 S316 A317 R318	L273-I314 HydrophobicContact CD2-CG2 4.36Å; L273-I314 WeakPolarHBondContact CD2-O 3.32Å; A276-I314 HydrophobicContact CB-CD1 4Å; A276-I314 HydrophobicContact CB-CG1 3.72Å; A276-I314 WeakPolarHBondContact O-CD1 3.45Å; L280-I314 HydrophobicContact CB-CD1 3.78Å; L280-I314 HydrophobicContact CD2-CD1 3.78Å; L280-I314 HydrophobicContact CG-CD1 4.41Å; M310-I314 VanDerWaalsContact O-CG1 3.27Å; M310-I314 WeakPolarHBondContact O-CG1 3.34Å; M310-I314 PolarHBondContact O-N 3.47Å; A311-I314 PolarHBondContact O-N 3.45Å; V312-I314 VanDerWaalsContact C-N 3.34Å; V312-I314 PolarHBondContact O-N 2.92Å; I314-S316 VanDerWaalsContact C-N 3.33Å; I314-S316 PolarHBondContact O-N 3.31Å; I314-A317 PolarHBondContact O-N 3Å; I314-R318 VanDerWaalsContact CG2-NH2 3.3Å; I314-R318 WeakPolarHBondContact O-CB 3.26Å; I314-R318 PolarHBondContact O-N 3.44Å
315	E	98.1	Very high	98.4	Very high	98 Å²	98	44.3 Å²	44.3	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-39.2	-178.2	-66.5	-55.8	156.6	0	0	112	A311 A317 R318 L319	A311-E315 WeakPolarHBondContact O-CG 3.32Å; A311-E315 PolarHBondContact O-N 3.03Å; E315-A317 PolarHBondContact O-N 3.01Å; E315-R318 PolarHBondContact O-N 2.89Å; E315-R318 IonicContact OE1-NH1 2.74Å; E315-R318 PolarHBondContact OE1-NH1 2.96Å; E315-R318 IonicContact OE2-CZ 3.27Å; E315-R318 IonicContact OE2-NH1 2.84Å; E315-R318 PolarHBondContact OE2-NH1 3.39Å; E315-L319 WeakPolarHBondContact O-CG 3.25Å; E315-L319 PolarHBondContact O-N 3.14Å
316	S	98.1	Very high	98.3	Very high	68 Å²	68	41.8 Å²	41.8	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-44.2	175.2	-175.9	0	0	0	0	111.9	V312 I314 L320	V312-S316 VanDerWaalsContact O-CB 3.22Å; V312-S316 WeakPolarHBondContact O-CB 3.14Å; V312-S316 PolarHBondContact O-N 3.35Å; I314-S316 VanDerWaalsContact C-N 3.33Å; I314-S316 PolarHBondContact O-N 3.31Å; S316-L320 WeakPolarHBondContact O-CG 3.48Å; S316-L320 PolarHBondContact O-N 3.4Å
317	A	98.7	Very high	98.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-33.9	178.1	0	0	0	0	0	112.4	L273 A313 I314 E315 L320 T321 A344 A345 A348	L273-A317 HydrophobicContact CD2-CB 3.74Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 3.16Å; I314-A317 PolarHBondContact O-N 3Å; E315-A317 PolarHBondContact O-N 3.01Å; A317-L320 PolarHBondContact O-N 3.14Å; A317-T321 PolarHBondContact O-N 3.24Å; A317-T321 PolarHBondContact O-OG1 2.79Å; A317-A344 HydrophobicContact CB-CB 4.29Å; A317-A345 HydrophobicContact CB-CB 4.02Å; A317-A348 HydrophobicContact CB-CB 4.48Å
318	R	98.4	Very high	98.2	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-45.9	176.3	-172.9	173.3	-67.3	114.4	-2.1	111.7	E96 L273 I314 E315 L320 T321 W322	E96-R318 IonicContact OE1-CZ 3.95Å; E96-R318 IonicContact OE1-NE 3.14Å; E96-R318 PolarHBondContact OE1-NE 3.35Å; E96-R318 IonicContact OE1-NH2 2.73Å; E96-R318 PolarHBondContact OE1-NH2 3.4Å; E96-R318 IonicContact OE2-NE 3.95Å; L273-R318 HydrophobicContact CD1-CB 4.12Å; L273-R318 HydrophobicContact CD1-CG 4.36Å; L273-R318 HydrophobicContact CD2-CB 4.07Å; I314-R318 VanDerWaalsContact CG2-NH2 3.3Å; I314-R318 WeakPolarHBondContact O-CB 3.26Å; I314-R318 PolarHBondContact O-N 3.44Å; E315-R318 PolarHBondContact O-N 2.89Å; E315-R318 IonicContact OE1-NH1 2.74Å; E315-R318 PolarHBondContact OE1-NH1 2.96Å; E315-R318 IonicContact OE2-CZ 3.27Å; E315-R318 IonicContact OE2-NH1 2.84Å; E315-R318 PolarHBondContact OE2-NH1 3.39Å; R318-L320 VanDerWaalsContact C-N 3.33Å; R318-L320 PolarHBondContact O-N 3.24Å; R318-T321 WeakPolarHBondContact O-CB 3.43Å; R318-T321 PolarHBondContact O-N 3.39Å; R318-T321 VanDerWaalsContact O-N 3.16Å; R318-W322 HydrophobicContact CG-CD2 4.07Å; R318-W322 HydrophobicContact CG-CG 4.46Å; R318-W322 HydrophobicContact CG-CH2 4.49Å; R318-W322 HydrophobicContact CG-CZ2 3.8Å; R318-W322 PolarHBondContact O-N 3.24Å
319	L	97.4	Very high	98.1	Very high	89 Å²	89	40 Å²	40	47%	0.466	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-38.9	176.6	-67.9	175.8	0	0	0	112.6	E315 K323	E315-L319 WeakPolarHBondContact O-CG 3.25Å; E315-L319 PolarHBondContact O-N 3.14Å; L319-K323 VanDerWaalsContact O-CB 3.26Å; L319-K323 WeakPolarHBondContact O-CB 3.48Å; L319-K323 PolarHBondContact O-N 3.1Å
320	L	98.3	Very high	98	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-63.8	-42.5	174	-71.6	170.8	0	0	0	111.8	S316 A317 R318 K323 A324 M340 A341 A344	S316-L320 WeakPolarHBondContact O-CG 3.48Å; S316-L320 PolarHBondContact O-N 3.4Å; A317-L320 PolarHBondContact O-N 3.14Å; R318-L320 VanDerWaalsContact C-N 3.33Å; R318-L320 PolarHBondContact O-N 3.24Å; L320-K323 PolarHBondContact O-N 2.98Å; L320-A324 PolarHBondContact O-N 3.02Å; L320-M340 HydrophobicContact CD2-CB 4.5Å; L320-A341 HydrophobicContact CB-CB 4.17Å; L320-A344 HydrophobicContact CD1-CB 3.61Å
321	T	98.7	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-50.1	179.3	-57.2	0	0	0	0	111.1	I266 A269 L273 A317 R318 K323 A324 S325	I266-T321 HydrophobicContact CG2-CG2 4.26Å; A269-T321 HydrophobicContact CB-CG2 3.93Å; A269-T321 WeakPolarHBondContact CB-OG1 3.4Å; L273-T321 HydrophobicContact CD1-CG2 4.08Å; L273-T321 WeakPolarHBondContact CD1-OG1 3.26Å; A317-T321 PolarHBondContact O-N 3.24Å; A317-T321 PolarHBondContact O-OG1 2.79Å; R318-T321 WeakPolarHBondContact O-CB 3.43Å; R318-T321 PolarHBondContact O-N 3.39Å; R318-T321 VanDerWaalsContact O-N 3.16Å; T321-K323 VanDerWaalsContact C-N 3.32Å; T321-K323 PolarHBondContact O-N 3.47Å; T321-A324 WeakPolarHBondContact O-CB 3.45Å; T321-A324 PolarHBondContact O-N 3.49Å; T321-A324 VanDerWaalsContact O-N 3.14Å; T321-S325 PolarHBondContact O-N 2.71Å; T321-S325 PolarHBondContact O-OG 3.35Å
322	W	97.6	Very high	97.8	Very high	29 Å²	29	52.5 Å²	52.5	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-37.9	178.1	-66.9	1.4	0	0	0	112.2	L24 L27 L89 L93 R318 A324 S325 L326	L24-W322 HydrophobicContact CD1-CB 3.94Å; L24-W322 HydrophobicContact CD1-CE3 4.23Å; L24-W322 HydrophobicContact CD2-CE3 3.96Å; L27-W322 HydrophobicContact CD1-CH2 3.91Å; L27-W322 HydrophobicContact CD1-CZ2 4.24Å; L27-W322 HydrophobicContact CD2-CE3 4.32Å; L27-W322 HydrophobicContact CD2-CH2 4.05Å; L27-W322 HydrophobicContact CD2-CZ2 4.44Å; L27-W322 HydrophobicContact CD2-CZ3 3.99Å; L27-W322 HydrophobicContact CG-CH2 4.03Å; L27-W322 HydrophobicContact CG-CZ3 4.21Å; L89-W322 HydrophobicContact CD1-CB 3.96Å; L89-W322 HydrophobicContact CD1-CD2 4.26Å; L89-W322 HydrophobicContact CD1-CG 3.77Å; L93-W322 HydrophobicContact CD2-CZ2 3.56Å; R318-W322 HydrophobicContact CG-CD2 4.07Å; R318-W322 HydrophobicContact CG-CG 4.46Å; R318-W322 HydrophobicContact CG-CH2 4.49Å; R318-W322 HydrophobicContact CG-CZ2 3.8Å; R318-W322 PolarHBondContact O-N 3.24Å; W322-A324 VanDerWaalsContact C-N 3.33Å; W322-A324 PolarHBondContact O-N 2.95Å; W322-S325 PolarHBondContact O-N 3.15Å; W322-L326 WeakPolarHBondContact O-CB 3.3Å; W322-L326 WeakPolarHBondContact O-CG 3.48Å; W322-L326 PolarHBondContact O-N 3.21Å
323	K	97.2	Very high	97.6	Very high	57 Å²	57	52.9 Å²	52.9	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-44.6	173.4	179.9	178.9	178.4	-179.4	0	111.7	L319 L320 T321 L326 L327 E337	L319-K323 VanDerWaalsContact O-CB 3.26Å; L319-K323 WeakPolarHBondContact O-CB 3.48Å; L319-K323 PolarHBondContact O-N 3.1Å; L320-K323 PolarHBondContact O-N 2.98Å; T321-K323 VanDerWaalsContact C-N 3.32Å; T321-K323 PolarHBondContact O-N 3.47Å; K323-L326 PolarHBondContact O-N 3Å; K323-L327 HydrophobicContact CG-CD1 4.15Å; K323-L327 WeakPolarHBondContact O-CB 3.4Å; K323-L327 VanDerWaalsContact O-CG 3.32Å; K323-L327 WeakPolarHBondContact O-CG 3.39Å; K323-L327 PolarHBondContact O-N 3Å; K323-E337 HydrophobicContact CD-CG 4.42Å
324	A	98.3	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-43.1	177.5	0	0	0	0	0	111.5	I266 L320 T321 W322 L327 R328 E337 A338 A341	I266-A324 HydrophobicContact CD1-CB 3.94Å; I266-A324 HydrophobicContact CG1-CB 3.94Å; L320-A324 PolarHBondContact O-N 3.02Å; T321-A324 WeakPolarHBondContact O-CB 3.45Å; T321-A324 PolarHBondContact O-N 3.49Å; T321-A324 VanDerWaalsContact O-N 3.14Å; W322-A324 VanDerWaalsContact C-N 3.33Å; W322-A324 PolarHBondContact O-N 2.95Å; A324-L327 PolarHBondContact O-N 3.48Å; A324-R328 PolarHBondContact O-N 2.82Å; A324-E337 HydrophobicContact CB-CB 4.06Å; A324-A338 HydrophobicContact CB-CB 4.41Å; A324-A341 HydrophobicContact CB-CB 4.41Å
325	S	97.9	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-52.2	174.6	-57.8	0	0	0	0	111.9	S92 I266 T321 W322 L327 R328 D329	S92-S325 PolarHBondContact OG-OG 3.44Å; I266-S325 VanDerWaalsContact CG2-OG 3.31Å; I266-S325 WeakPolarHBondContact CG2-OG 3.49Å; T321-S325 PolarHBondContact O-N 2.71Å; T321-S325 PolarHBondContact O-OG 3.35Å; W322-S325 PolarHBondContact O-N 3.15Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.43Å; S325-R328 WeakPolarHBondContact O-CB 3.41Å; S325-R328 PolarHBondContact O-N 3.14Å; S325-R328 VanDerWaalsContact O-N 3.09Å; S325-D329 VanDerWaalsContact O-CG 3.31Å; S325-D329 PolarHBondContact O-N 2.91Å
326	L	96.8	Very high	97.6	Very high	67 Å²	67	51 Å²	51	35%	0.351	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-38.2	-179.9	-72.7	174.8	0	0	0	113.1	L24 L89 W322 K323 R328 D329 A330	L24-L326 HydrophobicContact CD1-CD1 3.77Å; L24-L326 HydrophobicContact CD2-CD1 4.03Å; L24-L326 HydrophobicContact CG-CD1 3.99Å; L89-L326 HydrophobicContact CD2-CD2 3.96Å; W322-L326 WeakPolarHBondContact O-CB 3.3Å; W322-L326 WeakPolarHBondContact O-CG 3.48Å; W322-L326 PolarHBondContact O-N 3.21Å; K323-L326 PolarHBondContact O-N 3Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-D329 PolarHBondContact O-N 3.38Å; L326-A330 VanDerWaalsContact O-CB 3.25Å; L326-A330 WeakPolarHBondContact O-CB 3.35Å; L326-A330 PolarHBondContact O-N 3.46Å
327	L	97.3	Very high	97.6	Very high	34 Å²	34	49 Å²	49	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-39.8	175.4	-75.3	170.9	0	0	0	111.5	K323 A324 S325 A330 K331 K332 F334 E337	K323-L327 HydrophobicContact CG-CD1 4.15Å; K323-L327 WeakPolarHBondContact O-CB 3.4Å; K323-L327 VanDerWaalsContact O-CG 3.32Å; K323-L327 WeakPolarHBondContact O-CG 3.39Å; K323-L327 PolarHBondContact O-N 3Å; A324-L327 PolarHBondContact O-N 3.48Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.43Å; L327-A330 CarbonylContact O-C 3.58Å; L327-A330 PolarHBondContact O-N 3.29Å; L327-K331 PolarHBondContact O-N 2.93Å; L327-K332 HydrophobicContact CB-CB 4.38Å; L327-K332 HydrophobicContact CD2-CB 3.91Å; L327-K332 HydrophobicContact CD2-CG 4.26Å; L327-K332 WeakPolarHBondContact O-CB 3.26Å; L327-K332 PolarHBondContact O-N 2.87Å; L327-F334 HydrophobicContact CB-CB 3.8Å; L327-E337 HydrophobicContact CD1-CB 3.95Å; L327-E337 HydrophobicContact CD1-CG 3.49Å; L327-E337 VanDerWaalsContact CD1-CG 3.49Å
328	R	96.9	Very high	97.6	Very high	35 Å²	35	49 Å²	49	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-47.4	175.4	-176.6	-176.8	176.7	-69.8	2.7	111.1	E76 Y88 S263 I266 A324 S325 L326 A330 K331 F334	E76-R328 IonicContact OE1-CZ 3.77Å; E76-R328 IonicContact OE1-NH1 3.36Å; E76-R328 PolarHBondContact OE1-NH1 2.98Å; E76-R328 IonicContact OE1-NH2 3.81Å; E76-R328 PolarHBondContact OE1-NH2 2.83Å; E76-R328 IonicContact OE2-CZ 2.83Å; E76-R328 IonicContact OE2-NH1 2.69Å; E76-R328 PolarHBondContact OE2-NH1 3.44Å; E76-R328 IonicContact OE2-NH2 2.68Å; E76-R328 PolarHBondContact OE2-NH2 3.02Å; Y88-R328 VanDerWaalsContact CE1-NE 3.3Å; Y88-R328 VanDerWaalsContact CE2-NH1 3.26Å; Y88-R328 VanDerWaalsContact CZ-NH2 3.29Å; Y88-R328 PolarHBondContact OH-NH2 2.93Å; S263-R328 PolarHBondContact OG-NE 3.27Å; S263-R328 VanDerWaalsContact OG-NE 3.14Å; I266-R328 HydrophobicContact CD1-CB 4.49Å; A324-R328 PolarHBondContact O-N 2.82Å; S325-R328 WeakPolarHBondContact O-CB 3.41Å; S325-R328 PolarHBondContact O-N 3.14Å; S325-R328 VanDerWaalsContact O-N 3.09Å; L326-R328 VanDerWaalsContact C-N 3.32Å; R328-A330 VanDerWaalsContact C-N 3.28Å; R328-A330 PolarHBondContact O-N 2.95Å; R328-K331 WeakPolarHBondContact O-CA 3.17Å; R328-K331 PolarHBondContact O-N 3.28Å; R328-F334 HydrophobicContact CB-CD1 3.86Å; R328-F334 HydrophobicContact CB-CD2 4.19Å; R328-F334 HydrophobicContact CB-CE1 3.98Å; R328-F334 HydrophobicContact CB-CE2 4.28Å; R328-F334 HydrophobicContact CB-CG 3.99Å; R328-F334 HydrophobicContact CB-CZ 4.19Å; R328-F334 HydrophobicContact CG-CD1 4.1Å; R328-F334 HydrophobicContact CG-CE1 3.68Å; R328-F334 HydrophobicContact CG-CE2 4.21Å; R328-F334 HydrophobicContact CG-CZ 3.75Å
329	D	96.9	Very high	97.6	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-39.2	177.8	-66.3	-27.8	0	0	0	111.5	Y88 L89 S325 L326 K331	Y88-D329 VanDerWaalsContact CB-OD1 3.29Å; Y88-D329 WeakPolarHBondContact CB-OD1 3.45Å; Y88-D329 PolarHBondContact N-OD1 3.4Å; Y88-D329 PolarHBondContact N-OD2 3.35Å; L89-D329 PolarHBondContact N-OD2 2.95Å; L89-D329 VanDerWaalsContact N-OD2 3.12Å; S325-D329 VanDerWaalsContact O-CG 3.31Å; S325-D329 PolarHBondContact O-N 2.91Å; L326-D329 PolarHBondContact O-N 3.38Å; D329-K331 PolarHBondContact O-N 3.28Å; D329-K331 VanDerWaalsContact O-N 3.17Å
330	A	96.6	Very high	97.7	Very high	59 Å²	59	47 Å²	47	49%	0.488	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	6.3	173.5	0	0	0	0	0	114.3	L326 L327 R328 K332	L326-A330 VanDerWaalsContact O-CB 3.25Å; L326-A330 WeakPolarHBondContact O-CB 3.35Å; L326-A330 PolarHBondContact O-N 3.46Å; L327-A330 CarbonylContact O-C 3.58Å; L327-A330 PolarHBondContact O-N 3.29Å; R328-A330 VanDerWaalsContact C-N 3.28Å; R328-A330 PolarHBondContact O-N 2.95Å; A330-K332 HydrophobicContact CB-CG 4.05Å; A330-K332 PolarHBondContact O-N 3.49Å; A330-K332 VanDerWaalsContact O-N 3.16Å
331	K	96.6	Very high	97.7	Very high	197 Å²	197	44.7 Å²	44.7	86%	0.857	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	31.9	-178.4	-56.5	177.3	-178	175.4	0	113.2	L327 R328 D329	L327-K331 PolarHBondContact O-N 2.93Å; R328-K331 WeakPolarHBondContact O-CA 3.17Å; R328-K331 PolarHBondContact O-N 3.28Å; D329-K331 PolarHBondContact O-N 3.28Å; D329-K331 VanDerWaalsContact O-N 3.17Å
332	K	97.1	Very high	97.7	Very high	136 Å²	136	44.7 Å²	44.7	59%	0.591	22%	0.224	S	C	*	.			trans	-89.3	165.9	174.1	-60.4	-58.6	-177.1	-179	0	110.3	L327 A330 F334	L327-K332 HydrophobicContact CB-CB 4.38Å; L327-K332 HydrophobicContact CD2-CB 3.91Å; L327-K332 HydrophobicContact CD2-CG 4.26Å; L327-K332 WeakPolarHBondContact O-CB 3.26Å; L327-K332 PolarHBondContact O-N 2.87Å; A330-K332 HydrophobicContact CB-CG 4.05Å; A330-K332 PolarHBondContact O-N 3.49Å; A330-K332 VanDerWaalsContact O-N 3.16Å; K332-F334 WeakPolarHBondContact O-CD1 3.48Å; K332-F334 PolarHBondContact O-N 2.93Å
333	V	95.4	Very high	97.8	Very high	111 Å²	111	44.4 Å²	44.4	67%	0.673	22%	0.224	S	C	*	.			trans	-66.9	127.9	170	179	0	0	0	0	108
334	F	98.1	Very high	97.9	Very high	26 Å²	26	43.1 Å²	43.1	11%	0.114	22%	0.224	C	C	.	.			trans	-133.7	5	-175.6	69	-86.3	0	0	0	113.3	D262 I266 L327 R328 K332 K336 E337 A338	D262-F334 HydrophobicContact CB-CE2 3.92Å; D262-F334 HydrophobicContact CB-CZ 4.17Å; D262-F334 WeakPolarHBondContact O-CE2 3.47Å; I266-F334 HydrophobicContact CD1-CD2 3.93Å; I266-F334 HydrophobicContact CD1-CE2 3.95Å; L327-F334 HydrophobicContact CB-CB 3.8Å; R328-F334 HydrophobicContact CB-CD1 3.86Å; R328-F334 HydrophobicContact CB-CD2 4.19Å; R328-F334 HydrophobicContact CB-CE1 3.98Å; R328-F334 HydrophobicContact CB-CE2 4.28Å; R328-F334 HydrophobicContact CB-CG 3.99Å; R328-F334 HydrophobicContact CB-CZ 4.19Å; R328-F334 HydrophobicContact CG-CD1 4.1Å; R328-F334 HydrophobicContact CG-CE1 3.68Å; R328-F334 HydrophobicContact CG-CE2 4.21Å; R328-F334 HydrophobicContact CG-CZ 3.75Å; K332-F334 WeakPolarHBondContact O-CD1 3.48Å; K332-F334 PolarHBondContact O-N 2.93Å; F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 PolarHBondContact O-N 2.91Å; F334-E337 PolarHBondContact O-N 3.07Å; F334-A338 HydrophobicContact CD2-CB 4Å; F334-A338 HydrophobicContact CE2-CB 4.43Å; F334-A338 WeakPolarHBondContact O-CB 3.41Å; F334-A338 PolarHBondContact O-N 3.33Å
335	T	98.5	Very high	97.9	Very high	29 Å²	29	43.1 Å²	43.1	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-54.3	-43.2	-178.1	-58.6	0	0	0	0	112.5	D262 A339 V394 Q398	D262-T335 WeakPolarHBondContact OD2-CB 3.48Å; D262-T335 WeakPolarHBondContact OD2-CG2 3.36Å; D262-T335 PolarHBondContact OD2-OG1 2.84Å; T335-A339 WeakPolarHBondContact O-CB 3.27Å; T335-A339 PolarHBondContact O-N 3.42Å; T335-V394 HydrophobicContact CG2-CG1 3.71Å; T335-Q398 HydrophobicContact CG2-CG 4.47Å
336	K	98.6	Very high	98	Very high	31 Å²	31	43.1 Å²	43.1	14%	0.135	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-47.4	179	-176.2	-176.8	68.2	-171.6	0	110.7	F334 A339 M340 Q398 I399 E402	F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 PolarHBondContact O-N 2.91Å; K336-A339 PolarHBondContact O-N 3.32Å; K336-M340 HydrophobicContact CD-CE 3.93Å; K336-M340 HydrophobicContact CG-CE 3.83Å; K336-M340 HydrophobicContact CG-SD 4.27Å; K336-M340 WeakPolarHBondContact O-CG 3.46Å; K336-M340 PolarHBondContact O-N 3.3Å; K336-Q398 HydrophobicContact CB-CB 3.85Å; K336-Q398 HydrophobicContact CB-CG 4Å; K336-Q398 HydrophobicContact CD-CB 4.08Å; K336-Q398 HydrophobicContact CG-CB 4.04Å; K336-I399 HydrophobicContact CD-CG1 4.2Å; K336-E402 WeakPolarHBondContact CD-OE1 3.48Å; K336-E402 WeakPolarHBondContact CE-OE1 3.4Å; K336-E402 VanDerWaalsContact NZ-CD 3.32Å; K336-E402 IonicContact NZ-OE1 2.86Å; K336-E402 PolarHBondContact NZ-OE1 2.99Å; K336-E402 IonicContact NZ-OE2 2.68Å; K336-E402 PolarHBondContact NZ-OE2 3.29Å
337	E	98.7	Very high	98.1	Very high	28 Å²	28	43.1 Å²	43.1	13%	0.131	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-38.8	-177.3	-70.4	75.5	-164.4	0	0	112.2	K323 A324 L327 F334 M340 A341	K323-E337 HydrophobicContact CD-CG 4.42Å; A324-E337 HydrophobicContact CB-CB 4.06Å; L327-E337 HydrophobicContact CD1-CB 3.95Å; L327-E337 HydrophobicContact CD1-CG 3.49Å; L327-E337 VanDerWaalsContact CD1-CG 3.49Å; F334-E337 PolarHBondContact O-N 3.07Å; E337-M340 PolarHBondContact O-N 2.83Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.33Å; E337-A341 PolarHBondContact O-N 3.19Å
338	A	98.8	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-41.1	172.8	0	0	0	0	0	112.2	D262 R265 I266 A324 F334 A341 K342	D262-A338 VanDerWaalsContact O-CB 3.27Å; D262-A338 WeakPolarHBondContact O-CB 3.43Å; R265-A338 HydrophobicContact CB-CB 4.32Å; I266-A338 HydrophobicContact CD1-CB 4.4Å; I266-A338 HydrophobicContact CG1-CB 3.87Å; A324-A338 HydrophobicContact CB-CB 4.41Å; F334-A338 HydrophobicContact CD2-CB 4Å; F334-A338 HydrophobicContact CE2-CB 4.43Å; F334-A338 WeakPolarHBondContact O-CB 3.41Å; F334-A338 PolarHBondContact O-N 3.33Å; A338-A341 PolarHBondContact O-N 3.44Å; A338-K342 WeakPolarHBondContact O-CB 3.28Å; A338-K342 PolarHBondContact O-N 3.36Å
339	A	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-41	175.3	0	0	0	0	0	112	T335 K336 L343 Q391 V394 I395	T335-A339 WeakPolarHBondContact O-CB 3.27Å; T335-A339 PolarHBondContact O-N 3.42Å; K336-A339 PolarHBondContact O-N 3.32Å; A339-L343 VanDerWaalsContact O-CB 3.23Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.16Å; A339-Q391 HydrophobicContact CB-CB 4.37Å; A339-V394 HydrophobicContact CB-CB 4.15Å; A339-V394 HydrophobicContact CB-CG1 3.85Å; A339-I395 HydrophobicContact CB-CD1 4.26Å; A339-I395 HydrophobicContact CB-CG1 3.77Å
340	M	98.9	Very high	98.4	Very high	56 Å²	56	39.3 Å²	39.3	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-46.2	173.8	-73.4	177.8	172.2	0	0	111.8	L320 K336 E337 A344 I395	L320-M340 HydrophobicContact CD2-CB 4.5Å; K336-M340 HydrophobicContact CD-CE 3.93Å; K336-M340 HydrophobicContact CG-CE 3.83Å; K336-M340 HydrophobicContact CG-SD 4.27Å; K336-M340 WeakPolarHBondContact O-CG 3.46Å; K336-M340 PolarHBondContact O-N 3.3Å; E337-M340 PolarHBondContact O-N 2.83Å; M340-A344 VanDerWaalsContact O-CB 3.31Å; M340-A344 WeakPolarHBondContact O-CB 3.44Å; M340-A344 PolarHBondContact O-N 3.01Å; M340-I395 HydrophobicContact CB-CD1 4.39Å; M340-I395 HydrophobicContact CE-CG2 3.73Å; M340-I395 HydrophobicContact CG-CD1 3.73Å; M340-I395 HydrophobicContact CG-CG1 3.88Å; M340-I395 HydrophobicContact CG-CG2 4.43Å
341	A	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-52.8	178.2	0	0	0	0	0	111.4	A269 L320 A324 E337 A338 L343 A344 A345	A269-A341 HydrophobicContact CB-CB 4.02Å; L320-A341 HydrophobicContact CB-CB 4.17Å; A324-A341 HydrophobicContact CB-CB 4.41Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.33Å; E337-A341 PolarHBondContact O-N 3.19Å; A338-A341 PolarHBondContact O-N 3.44Å; A341-L343 PolarHBondContact O-N 3.13Å; A341-A344 PolarHBondContact O-N 2.99Å; A341-A345 WeakPolarHBondContact O-CB 3.27Å; A341-A345 PolarHBondContact O-N 3.26Å
342	K	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-46.9	179.8	-166.4	-82.9	-167	179.3	0	111.4	R265 I268 A269 A338 S346 T381 Y384 G386 Q391	R265-K342 HydrophobicContact CB-CB 4Å; R265-K342 HydrophobicContact CB-CG 4.19Å; R265-K342 HydrophobicContact CG-CB 4.34Å; R265-K342 HydrophobicContact CG-CG 4.22Å; I268-K342 HydrophobicContact CB-CG 4.17Å; I268-K342 HydrophobicContact CG2-CD 4.38Å; I268-K342 HydrophobicContact CG2-CG 3.99Å; A269-K342 HydrophobicContact CB-CB 4.47Å; A338-K342 WeakPolarHBondContact O-CB 3.28Å; A338-K342 PolarHBondContact O-N 3.36Å; K342-S346 WeakPolarHBondContact O-CB 3.23Å; K342-S346 PolarHBondContact O-N 2.95Å; K342-S346 PolarHBondContact O-OG 2.79Å; K342-T381 WeakPolarHBondContact CE-O 3.23Å; K342-T381 PolarHBondContact NZ-O 2.98Å; K342-Y384 WeakPolarHBondContact CE-O 3.38Å; K342-Y384 PolarHBondContact NZ-O 3.21Å; K342-G386 PolarHBondContact NZ-O 3.34Å; K342-Q391 HydrophobicContact CD-CG 3.92Å
343	L	98.9	Very high	98.7	Very high	22 Å²	22	24.2 Å²	24.2	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-57.7	178.1	178.8	61.9	0	0	0	111.3	A339 A341 A345 S346 E347 Q391 R392 I395	A339-L343 VanDerWaalsContact O-CB 3.23Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.16Å; A341-L343 PolarHBondContact O-N 3.13Å; L343-A345 PolarHBondContact O-N 3.44Å; L343-S346 PolarHBondContact O-N 2.91Å; L343-S346 PolarHBondContact O-OG 3.34Å; L343-E347 HydrophobicContact CD1-CG 4.32Å; L343-E347 WeakPolarHBondContact CD1-OE1 3.4Å; L343-E347 PolarHBondContact O-N 3.42Å; L343-E347 VanDerWaalsContact O-N 3.1Å; L343-Q391 HydrophobicContact CB-CB 4Å; L343-Q391 HydrophobicContact CB-CG 4.4Å; L343-R392 HydrophobicContact CD2-CG 3.82Å; L343-I395 HydrophobicContact CD2-CD1 3.94Å
344	A	98.9	Very high	98.8	Very high	30 Å²	30	22.8 Å²	22.8	25%	0.248	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-43.5	-176	0	0	0	0	0	112.4	A317 L320 M340 A341 A348	A317-A344 HydrophobicContact CB-CB 4.29Å; L320-A344 HydrophobicContact CD1-CB 3.61Å; M340-A344 VanDerWaalsContact O-CB 3.31Å; M340-A344 WeakPolarHBondContact O-CB 3.44Å; M340-A344 PolarHBondContact O-N 3.01Å; A341-A344 PolarHBondContact O-N 2.99Å; A344-A348 WeakPolarHBondContact O-CB 3.4Å; A344-A348 PolarHBondContact O-N 3.3Å
345	A	98.9	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.9	-42.3	179.6	0	0	0	0	0	112.2	A269 A272 L273 A317 A341 L343 A348 A349	A269-A345 HydrophobicContact CB-CB 4.01Å; A269-A345 WeakPolarHBondContact O-CB 3.38Å; A272-A345 HydrophobicContact CB-CB 3.96Å; A272-A345 WeakPolarHBondContact CB-O 3.38Å; L273-A345 HydrophobicContact CD2-CB 4.46Å; L273-A345 HydrophobicContact CG-CB 4.12Å; A317-A345 HydrophobicContact CB-CB 4.02Å; A341-A345 WeakPolarHBondContact O-CB 3.27Å; A341-A345 PolarHBondContact O-N 3.26Å; L343-A345 PolarHBondContact O-N 3.44Å; A345-A348 PolarHBondContact O-N 3Å; A345-A349 WeakPolarHBondContact O-CB 3.09Å; A345-A349 PolarHBondContact O-N 3.43Å
346	S	98.9	Very high	98.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-43.9	179.3	63.8	0	0	0	0	112.9	K342 L343 A349 T350 T381	K342-S346 WeakPolarHBondContact O-CB 3.23Å; K342-S346 PolarHBondContact O-N 2.95Å; K342-S346 PolarHBondContact O-OG 2.79Å; L343-S346 PolarHBondContact O-N 2.91Å; L343-S346 PolarHBondContact O-OG 3.34Å; S346-A349 PolarHBondContact O-N 2.75Å; S346-T350 PolarHBondContact O-N 3.48Å; S346-T350 VanDerWaalsContact O-N 3.14Å; S346-T381 WeakPolarHBondContact CA-OG1 3.5Å; S346-T381 VanDerWaalsContact CB-C 3.46Å; S346-T381 VanDerWaalsContact CB-O 3.28Å; S346-T381 WeakPolarHBondContact CB-O 3.33Å; S346-T381 VanDerWaalsContact CB-OG1 3.25Å; S346-T381 WeakPolarHBondContact CB-OG1 3.33Å
347	E	98.9	Very high	98.9	Very high	67 Å²	67	21 Å²	21	31%	0.313	11%	0.107	S	C	.	.	H	α-helix	trans	-69.2	-36.4	177	-67.1	-176.2	168.5	0	0	111.2	L343 T350 F351 R392	L343-E347 HydrophobicContact CD1-CG 4.32Å; L343-E347 WeakPolarHBondContact CD1-OE1 3.4Å; L343-E347 PolarHBondContact O-N 3.42Å; L343-E347 VanDerWaalsContact O-N 3.1Å; E347-T350 PolarHBondContact O-N 3.29Å; E347-F351 WeakPolarHBondContact O-CB 3.35Å; E347-F351 PolarHBondContact O-N 3.04Å; E347-R392 IonicContact OE1-CZ 3.2Å; E347-R392 VanDerWaalsContact OE1-CZ 3.28Å; E347-R392 IonicContact OE1-NH1 2.83Å; E347-R392 PolarHBondContact OE1-NH1 3.23Å; E347-R392 IonicContact OE1-NH2 4Å; E347-R392 PolarHBondContact OE1-NH2 2.99Å; E347-R392 IonicContact OE2-NH2 2.8Å; E347-R392 PolarHBondContact OE2-NH2 2.97Å
348	A	98.9	Very high	98.9	Very high	8 Å²	8	25.3 Å²	25.3	7%	0.066	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-38.9	172.3	0	0	0	0	0	112.3	A313 A317 A344 A345 F351 C352	A313-A348 HydrophobicContact CB-CB 4.06Å; A317-A348 HydrophobicContact CB-CB 4.48Å; A344-A348 WeakPolarHBondContact O-CB 3.4Å; A344-A348 PolarHBondContact O-N 3.3Å; A345-A348 PolarHBondContact O-N 3Å; A348-F351 PolarHBondContact O-N 2.88Å; A348-C352 VanDerWaalsContact O-CB 3.28Å; A348-C352 WeakPolarHBondContact O-CB 3.4Å; A348-C352 PolarHBondContact O-N 3.49Å; A348-C352 PolarHBondContact O-SG 2.96Å
349	A	98.9	Very high	98.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-46.7	177.1	0	0	0	0	0	111.9	A272 A276 A345 S346 C352 S353 A378	A272-A349 HydrophobicContact CB-CB 3.95Å; A272-A349 WeakPolarHBondContact O-CB 3.46Å; A276-A349 HydrophobicContact CB-CB 4.24Å; A345-A349 WeakPolarHBondContact O-CB 3.09Å; A345-A349 PolarHBondContact O-N 3.43Å; S346-A349 PolarHBondContact O-N 2.75Å; A349-C352 PolarHBondContact O-N 2.82Å; A349-S353 VanDerWaalsContact O-CB 3.29Å; A349-S353 WeakPolarHBondContact O-CB 3.45Å; A349-S353 PolarHBondContact O-N 3.33Å; A349-S353 PolarHBondContact O-OG 3.3Å; A349-A378 HydrophobicContact CB-CB 3.97Å
350	T	98.9	Very high	98.9	Very high	25 Å²	25	26 Å²	26	15%	0.153	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-43.6	175.6	-67	0	0	0	0	111.1	S346 E347 S353 H354 Y375 E382	S346-T350 PolarHBondContact O-N 3.48Å; S346-T350 VanDerWaalsContact O-N 3.14Å; E347-T350 PolarHBondContact O-N 3.29Å; T350-S353 PolarHBondContact O-OG 3.16Å; T350-H354 WeakPolarHBondContact O-CB 3.24Å; T350-H354 PolarHBondContact O-N 3.46Å; T350-Y375 HydrophobicContact CG2-CE2 4.3Å; T350-E382 VanDerWaalsContact OG1-CD 3.31Å; T350-E382 PolarHBondContact OG1-OE2 3.35Å
351	F	98.9	Very high	98.9	Very high	75 Å²	75	25 Å²	25	33%	0.329	14%	0.136	S	C	.	.	H	α-helix	trans	-60.8	-50.7	176	170	-108.4	0	0	0	112.5	D309 M310 A313 E347 A348 H354 Q355	D309-F351 HydrophobicContact CB-CE1 4.21Å; D309-F351 HydrophobicContact CB-CZ 4Å; M310-F351 HydrophobicContact CG-CD1 4.49Å; M310-F351 HydrophobicContact CG-CE1 3.92Å; A313-F351 HydrophobicContact CB-CD1 4.36Å; E347-F351 WeakPolarHBondContact O-CB 3.35Å; E347-F351 PolarHBondContact O-N 3.04Å; A348-F351 PolarHBondContact O-N 2.88Å; F351-H354 PolarHBondContact O-N 2.87Å; F351-Q355 HydrophobicContact CD2-CG 4.07Å; F351-Q355 HydrophobicContact CE1-CG 4.46Å; F351-Q355 HydrophobicContact CE2-CG 3.65Å; F351-Q355 HydrophobicContact CZ-CG 3.87Å; F351-Q355 WeakPolarHBondContact O-CB 3.36Å; F351-Q355 WeakPolarHBondContact O-CG 3.46Å; F351-Q355 PolarHBondContact O-N 3.45Å
352	C	98.9	Very high	98.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-42.6	-176.2	-67.5	0	0	0	0	111.8	A276 M310 A348 A349 Q355 A356	A276-C352 HydrophobicContact CB-CB 4.16Å; M310-C352 HydrophobicContact CE-CB 3.99Å; M310-C352 WeakPolarHBondContact CE-O 3.29Å; M310-C352 HydrophobicContact CG-CB 4.39Å; A348-C352 VanDerWaalsContact O-CB 3.28Å; A348-C352 WeakPolarHBondContact O-CB 3.4Å; A348-C352 PolarHBondContact O-N 3.49Å; A348-C352 PolarHBondContact O-SG 2.96Å; A349-C352 PolarHBondContact O-N 2.82Å; C352-Q355 PolarHBondContact O-N 2.86Å; C352-A356 WeakPolarHBondContact O-CB 3.48Å; C352-A356 PolarHBondContact O-N 2.82Å
353	S	98.9	Very high	98.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-39.8	177.5	57.3	0	0	0	0	112.4	S279 A349 T350 A356 I357 Y375 A378	S279-S353 WeakPolarHBondContact OG-CA 3.36Å; S279-S353 WeakPolarHBondContact OG-CB 3.44Å; A349-S353 VanDerWaalsContact O-CB 3.29Å; A349-S353 WeakPolarHBondContact O-CB 3.45Å; A349-S353 PolarHBondContact O-N 3.33Å; A349-S353 PolarHBondContact O-OG 3.3Å; T350-S353 PolarHBondContact O-OG 3.16Å; S353-A356 PolarHBondContact O-N 3.14Å; S353-I357 PolarHBondContact O-N 3.05Å; S353-I357 VanDerWaalsContact O-N 3.16Å; S353-Y375 WeakPolarHBondContact OG-CA 3.29Å; S353-A378 WeakPolarHBondContact OG-CB 3.5Å
354	H	98.9	Very high	98.9	Very high	82 Å²	82	30.7 Å²	30.7	38%	0.38	18%	0.179	S	C	.	.	H	α-helix	trans	-58.4	-48.3	170.4	172	-90.9	0	0	0	111.4	T350 F351 A356 I357 Q358 Y375	T350-H354 WeakPolarHBondContact O-CB 3.24Å; T350-H354 PolarHBondContact O-N 3.46Å; F351-H354 PolarHBondContact O-N 2.87Å; H354-A356 VanDerWaalsContact C-N 3.31Å; H354-A356 PolarHBondContact O-N 3.01Å; H354-I357 PolarHBondContact O-N 3.13Å; H354-Q358 PolarHBondContact O-N 3.24Å; H354-Q358 VanDerWaalsContact O-N 3.11Å; H354-Y375 HydrophobicContact CB-CD2 4.06Å; H354-Y375 HydrophobicContact CB-CE2 3.83Å
355	Q	98.9	Very high	98.9	Very high	19 Å²	19	38.5 Å²	38.5	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-66.2	-33	179.7	-74.6	-48.6	129	0	0	113	K306 M310 F351 C352 Q358 I359	K306-Q355 VanDerWaalsContact CD-NE2 3.34Å; M310-Q355 HydrophobicContact CE-CB 4.43Å; M310-Q355 HydrophobicContact CG-CB 4.1Å; M310-Q355 HydrophobicContact SD-CB 3.58Å; M310-Q355 VanDerWaalsContact SD-CB 3.58Å; F351-Q355 HydrophobicContact CD2-CG 4.07Å; F351-Q355 HydrophobicContact CE1-CG 4.46Å; F351-Q355 HydrophobicContact CE2-CG 3.65Å; F351-Q355 HydrophobicContact CZ-CG 3.87Å; F351-Q355 WeakPolarHBondContact O-CB 3.36Å; F351-Q355 WeakPolarHBondContact O-CG 3.46Å; F351-Q355 PolarHBondContact O-N 3.45Å; C352-Q355 PolarHBondContact O-N 2.86Å; Q355-Q358 PolarHBondContact O-N 3.42Å; Q355-I359 VanDerWaalsContact O-CG1 3.28Å; Q355-I359 WeakPolarHBondContact O-CG1 3.43Å; Q355-I359 PolarHBondContact O-N 3.12Å
356	A	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-48.8	174.4	0	0	0	0	0	111.3	S279 A283 C352 S353 H354 Q358 I359 L360 A371	S279-A356 WeakPolarHBondContact O-CB 3.49Å; A283-A356 HydrophobicContact CB-CB 4.02Å; C352-A356 WeakPolarHBondContact O-CB 3.48Å; C352-A356 PolarHBondContact O-N 2.82Å; S353-A356 PolarHBondContact O-N 3.14Å; H354-A356 VanDerWaalsContact C-N 3.31Å; H354-A356 PolarHBondContact O-N 3.01Å; A356-Q358 VanDerWaalsContact C-N 3.27Å; A356-Q358 PolarHBondContact O-N 3.29Å; A356-I359 PolarHBondContact O-N 3.18Å; A356-L360 WeakPolarHBondContact O-CD1 3.49Å; A356-L360 PolarHBondContact O-N 3.43Å; A356-A371 HydrophobicContact CB-CB 4.41Å
357	I	98.9	Very high	98.8	Very high	30 Å²	30	46.3 Å²	46.3	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-53.9	-47.9	173.4	-66	178.6	0	0	0	110.3	S353 H354 I359 L360 G361 G364 A371 Y375	S353-I357 PolarHBondContact O-N 3.05Å; S353-I357 VanDerWaalsContact O-N 3.16Å; H354-I357 PolarHBondContact O-N 3.13Å; I357-I359 VanDerWaalsContact C-N 3.33Å; I357-I359 PolarHBondContact O-N 2.8Å; I357-L360 PolarHBondContact O-N 2.8Å; I357-G361 PolarHBondContact O-N 2.89Å; I357-G364 WeakPolarHBondContact CG1-O 3.45Å; I357-A371 HydrophobicContact CG1-CB 4.03Å; I357-Y375 HydrophobicContact CD1-CD1 4.06Å; I357-Y375 HydrophobicContact CD1-CG 3.84Å
358	Q	98.9	Very high	98.7	Very high	118 Å²	118	49.6 Å²	49.6	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-62.4	-37.3	-178.3	-168	64.2	37.5	0	0	113.2	H354 Q355 A356 G361	H354-Q358 PolarHBondContact O-N 3.24Å; H354-Q358 VanDerWaalsContact O-N 3.11Å; Q355-Q358 PolarHBondContact O-N 3.42Å; A356-Q358 VanDerWaalsContact C-N 3.27Å; A356-Q358 PolarHBondContact O-N 3.29Å; Q358-G361 PolarHBondContact O-N 3.2Å
359	I	98.9	Very high	98.6	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-71.4	-38.3	178.4	-71.2	165.4	0	0	0	111	A283 A287 I297 I303 K306 L307 M310 Q355 A356 I357 G361	A283-I359 HydrophobicContact CB-CB 4.35Å; A283-I359 HydrophobicContact CB-CD1 3.92Å; A283-I359 HydrophobicContact CB-CG2 4.28Å; A287-I359 HydrophobicContact CB-CG2 4.1Å; I297-I359 HydrophobicContact CD1-CG2 4.31Å; I303-I359 HydrophobicContact CD1-CG1 4.19Å; I303-I359 HydrophobicContact CG2-CG2 4.48Å; K306-I359 HydrophobicContact CB-CD1 4.05Å; K306-I359 HydrophobicContact CD-CG1 4.23Å; L307-I359 HydrophobicContact CD2-CD1 3.97Å; L307-I359 HydrophobicContact CG-CD1 4.44Å; M310-I359 HydrophobicContact SD-CD1 4.07Å; Q355-I359 VanDerWaalsContact O-CG1 3.28Å; Q355-I359 WeakPolarHBondContact O-CG1 3.43Å; Q355-I359 PolarHBondContact O-N 3.12Å; A356-I359 PolarHBondContact O-N 3.18Å; I357-I359 VanDerWaalsContact C-N 3.33Å; I357-I359 PolarHBondContact O-N 2.8Å; I359-G361 PolarHBondContact O-N 3.28Å
360	L	98.9	Very high	98.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-72.2	-20.2	175.4	-84.7	67.7	0	0	0	112.5	A283 Y286 A356 I357 M363 M369 A371	A283-L360 HydrophobicContact CB-CD1 4.48Å; Y286-L360 HydrophobicContact CD1-CB 4.35Å; Y286-L360 HydrophobicContact CD1-CD1 4.18Å; Y286-L360 HydrophobicContact CD1-CG 3.89Å; Y286-L360 HydrophobicContact CD2-CG 4.08Å; Y286-L360 HydrophobicContact CE1-CB 4.41Å; Y286-L360 HydrophobicContact CE1-CG 4.35Å; Y286-L360 HydrophobicContact CG-CD1 4.02Å; Y286-L360 HydrophobicContact CG-CG 3.75Å; A356-L360 WeakPolarHBondContact O-CD1 3.49Å; A356-L360 PolarHBondContact O-N 3.43Å; I357-L360 PolarHBondContact O-N 2.8Å; L360-M363 HydrophobicContact CB-CB 4.47Å; L360-M363 PolarHBondContact O-N 3.04Å; L360-M369 HydrophobicContact CD2-CB 3.99Å; L360-M369 HydrophobicContact CD2-CE 3.66Å; L360-M369 HydrophobicContact CD2-CG 4.2Å; L360-A371 HydrophobicContact CD2-CB 3.83Å
361	G	98.7	Very high	98.6	Very high	37 Å²	37	52.6 Å²	52.6	38%	0.381	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	64.2	-133.5	-178.2	0	0	0	0	0	111.1	I357 Q358 I359 M363 G364	I357-G361 PolarHBondContact O-N 2.89Å; Q358-G361 PolarHBondContact O-N 3.2Å; I359-G361 PolarHBondContact O-N 3.28Å; G361-M363 PolarHBondContact O-N 3.36Å; G361-M363 VanDerWaalsContact O-N 3.16Å; G361-G364 PolarHBondContact O-N 3.08Å
362	G	98.6	Very high	98.6	Very high	64 Å²	64	50.5 Å²	50.5	66%	0.66	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-56.2	-33.1	179.2	0	0	0	0	0	113.6	G364 Y365	G362-G364 PolarHBondContact O-N 2.84Å; G362-Y365 PolarHBondContact O-N 3.21Å
363	M	98.6	Very high	98.6	Very high	76 Å²	76	51.4 Å²	51.4	37%	0.374	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-68.4	-23.9	176.5	-69.5	-55	-56.2	0	0	112.9	Y286 L360 G361 Y365 V366 M369	Y286-M363 HydrophobicContact CE2-CB 4.37Å; Y286-M363 HydrophobicContact CE2-CG 4.45Å; L360-M363 HydrophobicContact CB-CB 4.47Å; L360-M363 PolarHBondContact O-N 3.04Å; G361-M363 PolarHBondContact O-N 3.36Å; G361-M363 VanDerWaalsContact O-N 3.16Å; M363-Y365 PolarHBondContact O-N 3.12Å; M363-V366 HydrophobicContact CE-CG2 4.12Å; M363-V366 WeakPolarHBondContact O-CG2 3.34Å; M363-M369 HydrophobicContact CB-CG 4.15Å; M363-M369 HydrophobicContact CE-CG 3.85Å; M363-M369 HydrophobicContact CE-SD 4.4Å; M363-M369 VanDerWaalsContact O-CB 3.3Å; M363-M369 WeakPolarHBondContact O-CB 3.47Å; M363-M369 VanDerWaalsContact O-CG 3.26Å; M363-M369 WeakPolarHBondContact O-CG 3.24Å
364	G	98.7	Very high	98.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-76.2	-12.8	178.1	0	0	0	0	0	113.5	I357 G361 G362	I357-G364 WeakPolarHBondContact CG1-O 3.45Å; G361-G364 PolarHBondContact O-N 3.08Å; G362-G364 PolarHBondContact O-N 2.84Å
365	Y	98.8	Very high	98.6	Very high	195 Å²	195	52.5 Å²	52.5	77%	0.765	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-100.1	-9.4	-176.5	-163.4	-111.1	0	0	0	113.5	G362 M363	G362-Y365 PolarHBondContact O-N 3.21Å; M363-Y365 PolarHBondContact O-N 3.12Å
366	V	98.5	Very high	98.6	Very high	55 Å²	55	53 Å²	53	33%	0.333	29%	0.285	S	S	.	.	S	Bend	trans	-103.5	148.3	-179.2	-62.5	0	0	0	0	110.7	M363 D368 M369	M363-V366 HydrophobicContact CE-CG2 4.12Å; M363-V366 WeakPolarHBondContact O-CG2 3.34Å; V366-D368 HydrophobicContact CG2-CB 4.22Å; V366-D368 PolarHBondContact O-N 3.13Å; V366-M369 PolarHBondContact O-N 3.49Å
367	T	98.1	Very high	98.6	Very high	109 Å²	109	53.1 Å²	53.1	67%	0.669	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.4	-176.7	54.9	0	0	0	0	114.2
368	D	96.3	Very high	98.6	Very high	135 Å²	135	51.7 Å²	51.7	72%	0.722	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-20.6	174.5	-58.5	-33.1	0	0	0	112.1	V366	V366-D368 HydrophobicContact CG2-CB 4.22Å; V366-D368 PolarHBondContact O-N 3.13Å
369	M	98.1	Very high	98.6	Very high	47 Å²	47	50.8 Å²	50.8	23%	0.232	27%	0.27	C	S	.	.	S	Bend	trans	-114.2	146	175.9	-63.6	-65.1	-68.9	0	0	110.7	Y286 L360 M363 V366 A371	Y286-M369 HydrophobicContact CD2-CE 4.09Å; L360-M369 HydrophobicContact CD2-CB 3.99Å; L360-M369 HydrophobicContact CD2-CE 3.66Å; L360-M369 HydrophobicContact CD2-CG 4.2Å; M363-M369 HydrophobicContact CB-CG 4.15Å; M363-M369 HydrophobicContact CE-CG 3.85Å; M363-M369 HydrophobicContact CE-SD 4.4Å; M363-M369 VanDerWaalsContact O-CB 3.3Å; M363-M369 WeakPolarHBondContact O-CB 3.47Å; M363-M369 VanDerWaalsContact O-CG 3.26Å; M363-M369 WeakPolarHBondContact O-CG 3.24Å; V366-M369 PolarHBondContact O-N 3.49Å; M369-A371 VanDerWaalsContact C-N 3.26Å; M369-A371 PolarHBondContact O-N 3.49Å
370	P	98.5	Very high	98.6	Very high	50 Å²	50	52.5 Å²	52.5	33%	0.325	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.2	-173.5	31.4	-37.3	0	0	0	114.2	E372 R373 H374	P370-E372 VanDerWaalsContact C-N 3.32Å; P370-E372 PolarHBondContact O-N 2.82Å; P370-R373 WeakPolarHBondContact O-CB 3.45Å; P370-R373 PolarHBondContact O-N 3.45Å; P370-R373 VanDerWaalsContact O-N 3.14Å; P370-H374 PolarHBondContact O-CD2 3.23Å; P370-H374 PolarHBondContact O-N 3.06Å; P370-H374 VanDerWaalsContact O-N 3.07Å
371	A	98.8	Very high	98.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-39.5	-173.9	0	0	0	0	0	113.5	A356 I357 L360 M369 R373 H374 Y375	A356-A371 HydrophobicContact CB-CB 4.41Å; I357-A371 HydrophobicContact CG1-CB 4.03Å; L360-A371 HydrophobicContact CD2-CB 3.83Å; M369-A371 VanDerWaalsContact C-N 3.26Å; M369-A371 PolarHBondContact O-N 3.49Å; A371-R373 VanDerWaalsContact C-N 3.34Å; A371-R373 PolarHBondContact O-N 2.82Å; A371-H374 PolarHBondContact O-N 3.47Å; A371-Y375 PolarHBondContact O-N 2.92Å; A371-Y375 VanDerWaalsContact O-N 3.14Å
372	E	98.9	Very high	98.6	Very high	31 Å²	31	52 Å²	52	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-40.9	178.5	72.7	78.3	-158.5	0	0	111.6	P370 Y375 R376	P370-E372 VanDerWaalsContact C-N 3.32Å; P370-E372 PolarHBondContact O-N 2.82Å; E372-Y375 PolarHBondContact O-N 3.31Å; E372-R376 PolarHBondContact O-N 3.18Å; E372-R376 IonicContact OE1-CZ 3.87Å; E372-R376 IonicContact OE1-NE 3.75Å; E372-R376 IonicContact OE1-NH2 3.62Å; E372-R376 PolarHBondContact OE1-NH2 2.89Å; E372-R376 IonicContact OE2-CZ 2.81Å; E372-R376 IonicContact OE2-NE 3.42Å; E372-R376 PolarHBondContact OE2-NE 3.43Å; E372-R376 IonicContact OE2-NH2 3.82Å; E372-R376 PolarHBondContact OE2-NH2 2.87Å
373	R	98.9	Very high	98.6	Very high	19 Å²	19	52.4 Å²	52.4	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.5	-171.4	-167.8	73.4	-153	3.2	110.9	A50 A51 D54 P370 A371 Y375 R376 D377	A50-R373 PolarHBondContact O-NH1 2.98Å; A51-R373 VanDerWaalsContact N-NH1 3.14Å; D54-R373 HydrophobicContact CB-CG 4.26Å; P370-R373 WeakPolarHBondContact O-CB 3.45Å; P370-R373 PolarHBondContact O-N 3.45Å; P370-R373 VanDerWaalsContact O-N 3.14Å; A371-R373 VanDerWaalsContact C-N 3.34Å; A371-R373 PolarHBondContact O-N 2.82Å; R373-Y375 PolarHBondContact O-N 3.19Å; R373-R376 PolarHBondContact O-N 3.25Å; R373-D377 IonicContact NE-OD2 3.65Å; R373-D377 WeakPolarHBondContact O-CB 3.38Å; R373-D377 PolarHBondContact O-N 3.33Å
374	H	98.9	Very high	98.6	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-38.5	176.6	-59.9	-35.8	0	0	0	112.2	I275 S279 P370 A371 A378	I275-H374 HydrophobicContact CG2-CB 4.23Å; I275-H374 WeakPolarHBondContact CG2-O 3.18Å; S279-H374 WeakPolarHBondContact OG-CB 3.17Å; P370-H374 PolarHBondContact O-CD2 3.23Å; P370-H374 PolarHBondContact O-N 3.06Å; P370-H374 VanDerWaalsContact O-N 3.07Å; A371-H374 PolarHBondContact O-N 3.47Å; H374-A378 VanDerWaalsContact O-CB 3.24Å; H374-A378 WeakPolarHBondContact O-CB 3.42Å; H374-A378 PolarHBondContact O-N 3.03Å
375	Y	98.9	Very high	98.6	Very high	93 Å²	93	51.6 Å²	51.6	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-68.2	-44.3	177.3	-177.1	-112.6	0	0	0	112.7	T350 S353 H354 I357 A371 E372 R373 D377 A378 R379	T350-Y375 HydrophobicContact CG2-CE2 4.3Å; S353-Y375 WeakPolarHBondContact OG-CA 3.29Å; H354-Y375 HydrophobicContact CB-CD2 4.06Å; H354-Y375 HydrophobicContact CB-CE2 3.83Å; I357-Y375 HydrophobicContact CD1-CD1 4.06Å; I357-Y375 HydrophobicContact CD1-CG 3.84Å; A371-Y375 PolarHBondContact O-N 2.92Å; A371-Y375 VanDerWaalsContact O-N 3.14Å; E372-Y375 PolarHBondContact O-N 3.31Å; R373-Y375 PolarHBondContact O-N 3.19Å; Y375-D377 VanDerWaalsContact C-N 3.33Å; Y375-D377 PolarHBondContact O-N 3.33Å; Y375-A378 PolarHBondContact O-N 3.04Å; Y375-R379 PolarHBondContact O-N 3.06Å
376	R	98.9	Very high	98.5	Very high	28 Å²	28	43.3 Å²	43.3	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-43.9	174.1	-70	-172.6	-65.8	102.4	-5.1	111.8	D54 L224 E372 R373	D54-R376 IonicContact OD1-CZ 3.33Å; D54-R376 IonicContact OD1-NH1 3.21Å; D54-R376 PolarHBondContact OD1-NH1 2.92Å; D54-R376 IonicContact OD1-NH2 3.49Å; D54-R376 PolarHBondContact OD1-NH2 2.89Å; D54-R376 IonicContact OD2-CZ 2.64Å; D54-R376 IonicContact OD2-NH1 3.25Å; D54-R376 PolarHBondContact OD2-NH1 3.45Å; D54-R376 IonicContact OD2-NH2 3.36Å; D54-R376 PolarHBondContact OD2-NH2 3.35Å; L224-R376 HydrophobicContact CD1-CB 4.39Å; L224-R376 HydrophobicContact CD1-CG 3.81Å; L224-R376 HydrophobicContact CG-CB 4.07Å; L224-R376 HydrophobicContact CG-CG 4.04Å; L224-R376 WeakPolarHBondContact O-CB 3.35Å; L224-R376 VanDerWaalsContact O-CD 3.27Å; L224-R376 WeakPolarHBondContact O-CD 3.28Å; L224-R376 PolarHBondContact O-NH1 3.14Å; E372-R376 PolarHBondContact O-N 3.18Å; E372-R376 IonicContact OE1-CZ 3.87Å; E372-R376 IonicContact OE1-NE 3.75Å; E372-R376 IonicContact OE1-NH2 3.62Å; E372-R376 PolarHBondContact OE1-NH2 2.89Å; E372-R376 IonicContact OE2-CZ 2.81Å; E372-R376 IonicContact OE2-NE 3.42Å; E372-R376 PolarHBondContact OE2-NE 3.43Å; E372-R376 IonicContact OE2-NH2 3.82Å; E372-R376 PolarHBondContact OE2-NH2 2.87Å; R373-R376 PolarHBondContact O-N 3.25Å
377	D	98.9	Very high	98.6	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-40.6	-179.7	-68.1	-12.1	0	0	0	112	A103 G225 I226 I275 R373 Y375 R379 I380	A103-D377 HydrophobicContact CB-CB 3.84Å; G225-D377 WeakPolarHBondContact CA-OD1 3.44Å; I226-D377 HydrophobicContact CG2-CB 4.2Å; I226-D377 PolarHBondContact N-OD1 3.33Å; I275-D377 HydrophobicContact CD1-CB 4.23Å; R373-D377 IonicContact NE-OD2 3.65Å; R373-D377 WeakPolarHBondContact O-CB 3.38Å; R373-D377 PolarHBondContact O-N 3.33Å; Y375-D377 VanDerWaalsContact C-N 3.33Å; Y375-D377 PolarHBondContact O-N 3.33Å; D377-R379 VanDerWaalsContact C-N 3.26Å; D377-R379 PolarHBondContact O-N 2.96Å; D377-I380 VanDerWaalsContact O-CG2 3.28Å; D377-I380 WeakPolarHBondContact O-CG2 3.48Å
378	A	98.9	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-38.7	179.6	0	0	0	0	0	112	I275 A349 S353 H374 Y375 I380 T381	I275-A378 HydrophobicContact CG2-CB 3.91Å; A349-A378 HydrophobicContact CB-CB 3.97Å; S353-A378 WeakPolarHBondContact OG-CB 3.5Å; H374-A378 VanDerWaalsContact O-CB 3.24Å; H374-A378 WeakPolarHBondContact O-CB 3.42Å; H374-A378 PolarHBondContact O-N 3.03Å; Y375-A378 PolarHBondContact O-N 3.04Å; A378-I380 VanDerWaalsContact C-N 3.25Å; A378-I380 PolarHBondContact O-N 3.14Å; A378-I380 VanDerWaalsContact O-N 3.14Å; A378-T381 WeakPolarHBondContact O-CB 3.45Å; A378-T381 WeakPolarHBondContact O-CG2 3.25Å; A378-T381 PolarHBondContact O-N 2.98Å; A378-T381 PolarHBondContact O-OG1 3.05Å
379	R	98.9	Very high	98.7	Very high	99 Å²	99	36 Å²	36	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-57.3	-35.3	-171.7	-176.7	63.8	-163.8	101.6	6.4	113.7	L224 Y375 D377 T381 E382	L224-R379 HydrophobicContact CD2-CB 4.13Å; L224-R379 HydrophobicContact CD2-CG 4.05Å; Y375-R379 PolarHBondContact O-N 3.06Å; D377-R379 VanDerWaalsContact C-N 3.26Å; D377-R379 PolarHBondContact O-N 2.96Å; R379-T381 PolarHBondContact O-N 3.12Å; R379-E382 IonicContact CZ-OE2 2.79Å; R379-E382 IonicContact NH1-OE2 3.82Å; R379-E382 PolarHBondContact NH1-OE2 2.91Å
380	I	98.9	Very high	98.8	Very high	44 Å²	44	35.6 Å²	35.6	23%	0.226	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-24.6	-178.5	-163.8	60.2	0	0	0	112.4	I226 D377 A378 E382 I383 Y384	I226-I380 HydrophobicContact CD1-CB 4.38Å; I226-I380 HydrophobicContact CD1-CG1 4.03Å; I226-I380 HydrophobicContact CD1-CG2 3.74Å; I226-I380 HydrophobicContact CG1-CG2 4.04Å; I226-I380 HydrophobicContact CG2-CG2 4.09Å; D377-I380 VanDerWaalsContact O-CG2 3.28Å; D377-I380 WeakPolarHBondContact O-CG2 3.48Å; A378-I380 VanDerWaalsContact C-N 3.25Å; A378-I380 PolarHBondContact O-N 3.14Å; A378-I380 VanDerWaalsContact O-N 3.14Å; I380-E382 PolarHBondContact O-N 3.47Å; I380-I383 HydrophobicContact CD1-CB 4.28Å; I380-I383 HydrophobicContact CD1-CD1 4.43Å; I380-I383 PolarHBondContact O-N 3.27Å; I380-Y384 HydrophobicContact CG1-CD2 3.9Å; I380-Y384 HydrophobicContact CG1-CE2 4.09Å; I380-Y384 HydrophobicContact CG1-CG 4.14Å; I380-Y384 HydrophobicContact CG2-CE1 4.43Å; I380-Y384 HydrophobicContact CG2-CE2 4.27Å; I380-Y384 VanDerWaalsContact O-CD1 3.26Å; I380-Y384 WeakPolarHBondContact O-CD1 3.27Å; I380-Y384 PolarHBondContact O-N 2.87Å; I380-Y384 VanDerWaalsContact O-N 3.14Å
381	T	98.9	Very high	98.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.3	-176.2	70.7	0	0	0	0	112.8	A272 I275 K342 S346 A378 R379 I383 Y384	A272-T381 HydrophobicContact CB-CG2 4.06Å; I275-T381 HydrophobicContact CD1-CG2 4.01Å; K342-T381 WeakPolarHBondContact CE-O 3.23Å; K342-T381 PolarHBondContact NZ-O 2.98Å; S346-T381 WeakPolarHBondContact CA-OG1 3.5Å; S346-T381 VanDerWaalsContact CB-C 3.46Å; S346-T381 VanDerWaalsContact CB-O 3.28Å; S346-T381 WeakPolarHBondContact CB-O 3.33Å; S346-T381 VanDerWaalsContact CB-OG1 3.25Å; S346-T381 WeakPolarHBondContact CB-OG1 3.33Å; A378-T381 WeakPolarHBondContact O-CB 3.45Å; A378-T381 WeakPolarHBondContact O-CG2 3.25Å; A378-T381 PolarHBondContact O-N 2.98Å; A378-T381 PolarHBondContact O-OG1 3.05Å; R379-T381 PolarHBondContact O-N 3.12Å; T381-I383 VanDerWaalsContact C-N 3.33Å; T381-Y384 HydrophobicContact CG2-CE1 4.48Å
382	E	98.9	Very high	98.8	Very high	32 Å²	32	38.5 Å²	38.5	15%	0.15	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8	174.4	-64.2	171.7	105	0	0	112.6	T350 R379 I380 T387 S388	T350-E382 VanDerWaalsContact OG1-CD 3.31Å; T350-E382 PolarHBondContact OG1-OE2 3.35Å; R379-E382 IonicContact CZ-OE2 2.79Å; R379-E382 IonicContact NH1-OE2 3.82Å; R379-E382 PolarHBondContact NH1-OE2 2.91Å; I380-E382 PolarHBondContact O-N 3.47Å; E382-T387 CarbonylContact O-C 3.47Å; E382-T387 VanDerWaalsContact O-CA 3.25Å; E382-T387 WeakPolarHBondContact O-CA 3.41Å; E382-S388 PolarHBondContact O-N 2.81Å; E382-S388 PolarHBondContact O-OG 3.14Å
383	I	98.9	Very high	98.8	Very high	73 Å²	73	42.8 Å²	42.8	37%	0.374	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-60.4	-171.2	-60.6	171.6	0	0	0	111.1	I380 T381 G386 T387	I380-I383 HydrophobicContact CD1-CB 4.28Å; I380-I383 HydrophobicContact CD1-CD1 4.43Å; I380-I383 PolarHBondContact O-N 3.27Å; T381-I383 VanDerWaalsContact C-N 3.33Å; I383-G386 CarbonylContact O-C 3.48Å; I383-T387 WeakPolarHBondContact O-CA 3.4Å; I383-T387 PolarHBondContact O-N 2.91Å; I383-T387 VanDerWaalsContact O-N 3.15Å
384	Y	98.3	Very high	98.7	Very high	36 Å²	36	43.4 Å²	43.4	14%	0.141	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	166.9	-172.8	69	-0.9	0	0	0	113.4	V107 I226 I268 Q271 K342 I380 T381 G386	V107-Y384 HydrophobicContact CG2-CE2 3.92Å; I226-Y384 HydrophobicContact CD1-CE2 4.08Å; I268-Y384 HydrophobicContact CB-CE1 4.3Å; I268-Y384 HydrophobicContact CD1-CD1 4.32Å; I268-Y384 HydrophobicContact CD1-CE1 3.49Å; I268-Y384 VanDerWaalsContact CD1-CE1 3.49Å; I268-Y384 HydrophobicContact CD1-CE2 4.31Å; I268-Y384 VanDerWaalsContact CD1-CZ 3.49Å; I268-Y384 WeakPolarHBondContact CD1-OH 3.33Å; I268-Y384 HydrophobicContact CG1-CD1 4.34Å; I268-Y384 HydrophobicContact CG1-CE1 3.83Å; I268-Y384 HydrophobicContact CG2-CD1 4.15Å; I268-Y384 HydrophobicContact CG2-CE1 3.5Å; I268-Y384 VanDerWaalsContact CG2-CE1 3.5Å; Q271-Y384 PolarHBondContact NE2-OH 2.81Å; Q271-Y384 VanDerWaalsContact NE2-OH 3.09Å; Q271-Y384 PolarHBondContact OE1-OH 2.89Å; K342-Y384 WeakPolarHBondContact CE-O 3.38Å; K342-Y384 PolarHBondContact NZ-O 3.21Å; I380-Y384 HydrophobicContact CG1-CD2 3.9Å; I380-Y384 HydrophobicContact CG1-CE2 4.09Å; I380-Y384 HydrophobicContact CG1-CG 4.14Å; I380-Y384 HydrophobicContact CG2-CE1 4.43Å; I380-Y384 HydrophobicContact CG2-CE2 4.27Å; I380-Y384 VanDerWaalsContact O-CD1 3.26Å; I380-Y384 WeakPolarHBondContact O-CD1 3.27Å; I380-Y384 PolarHBondContact O-N 2.87Å; I380-Y384 VanDerWaalsContact O-N 3.14Å; T381-Y384 HydrophobicContact CG2-CE1 4.48Å; Y384-G386 PolarHBondContact O-N 3.44Å; Y384-G386 VanDerWaalsContact O-N 3.16Å
385	E	97.8	Very high	98.7	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.107	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	30.6	-173	-61.2	-145.9	-136.3	0	0	113.8	L261 G264 R265 I268 Q391	L261-E385 HydrophobicContact CD2-CB 4.34Å; L261-E385 HydrophobicContact CD2-CG 4.31Å; G264-E385 VanDerWaalsContact CA-OE2 3.24Å; G264-E385 WeakPolarHBondContact CA-OE2 3.4Å; R265-E385 PolarHBondContact NE-O 3.49Å; I268-E385 HydrophobicContact CD1-CG 4.39Å; I268-E385 WeakPolarHBondContact CD1-OE1 3.25Å; I268-E385 HydrophobicContact CG1-CB 3.99Å; I268-E385 HydrophobicContact CG1-CG 3.78Å; I268-E385 VanDerWaalsContact CG1-OE1 3.24Å; I268-E385 WeakPolarHBondContact CG1-OE1 3.19Å; E385-Q391 PolarHBondContact O-NE2 3.48Å
386	G	98.1	Very high	98.7	Very high	20 Å²	20	41.6 Å²	41.6	21%	0.206	21%	0.208	C	C	.	.	S	Bend	trans	95.9	122.4	-174.5	0	0	0	0	0	111.2	K342 I383 Y384 Q391	K342-G386 PolarHBondContact NZ-O 3.34Å; I383-G386 CarbonylContact O-C 3.48Å; Y384-G386 PolarHBondContact O-N 3.44Å; Y384-G386 VanDerWaalsContact O-N 3.16Å; G386-Q391 PolarHBondContact O-NE2 3.32Å
387	T	98.9	Very high	98.6	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.178	22%	0.218	C	C	.	.			trans	-60.5	164.3	178.5	75.5	0	0	0	0	111.4	E382 I383 E389 I390 Q391	E382-T387 CarbonylContact O-C 3.47Å; E382-T387 VanDerWaalsContact O-CA 3.25Å; E382-T387 WeakPolarHBondContact O-CA 3.41Å; I383-T387 WeakPolarHBondContact O-CA 3.4Å; I383-T387 PolarHBondContact O-N 2.91Å; I383-T387 VanDerWaalsContact O-N 3.15Å; T387-E389 WeakPolarHBondContact CB-OE2 3.16Å; T387-E389 PolarHBondContact O-N 3.26Å; T387-E389 VanDerWaalsContact O-N 3.13Å; T387-E389 PolarHBondContact OG1-N 3.45Å; T387-E389 PolarHBondContact OG1-OE2 3.04Å; T387-I390 WeakPolarHBondContact O-CA 3.47Å; T387-I390 WeakPolarHBondContact O-CB 3.25Å; T387-I390 PolarHBondContact O-N 3.28Å; T387-I390 PolarHBondContact OG1-N 3.41Å; T387-Q391 WeakPolarHBondContact O-CG 3.49Å; T387-Q391 PolarHBondContact O-N 2.97Å
388	S	98.8	Very high	98.5	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-51.7	-35.2	174.5	-58.5	0	0	0	0	112.5	E382 Q391 R392	E382-S388 PolarHBondContact O-N 2.81Å; E382-S388 PolarHBondContact O-OG 3.14Å; S388-Q391 PolarHBondContact O-N 2.82Å; S388-R392 VanDerWaalsContact CB-NH1 3.34Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 2.94Å
389	E	98.8	Very high	98.4	Very high	113 Å²	113	46.7 Å²	46.7	53%	0.528	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-42.1	175	-60.9	63.5	-122.9	0	0	111.6	T387 Q391 R392 L393	T387-E389 WeakPolarHBondContact CB-OE2 3.16Å; T387-E389 PolarHBondContact O-N 3.26Å; T387-E389 VanDerWaalsContact O-N 3.13Å; T387-E389 PolarHBondContact OG1-N 3.45Å; T387-E389 PolarHBondContact OG1-OE2 3.04Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 3.4Å; E389-R392 WeakPolarHBondContact O-CB 3.33Å; E389-R392 PolarHBondContact O-N 3.49Å; E389-L393 WeakPolarHBondContact O-CG 2.97Å; E389-L393 PolarHBondContact O-N 3.44Å
390	I	98.7	Very high	98.2	Very high	38 Å²	38	47.4 Å²	47.4	20%	0.195	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-40	174.8	-63.6	-53.3	0	0	0	110.9	T387 R392 L393 V394	T387-I390 WeakPolarHBondContact O-CA 3.47Å; T387-I390 WeakPolarHBondContact O-CB 3.25Å; T387-I390 PolarHBondContact O-N 3.28Å; T387-I390 PolarHBondContact OG1-N 3.41Å; I390-R392 PolarHBondContact O-N 2.89Å; I390-L393 HydrophobicContact CD1-CD1 4.11Å; I390-L393 PolarHBondContact O-N 3.47Å; I390-V394 WeakPolarHBondContact O-CG2 3.44Å; I390-V394 PolarHBondContact O-N 3.38Å
391	Q	98.9	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-45.8	174	-54.1	-46.8	-37.2	0	0	111.2	A339 K342 L343 E385 G386 T387 S388 E389 L393 V394 I395	A339-Q391 HydrophobicContact CB-CB 4.37Å; K342-Q391 HydrophobicContact CD-CG 3.92Å; L343-Q391 HydrophobicContact CB-CB 4Å; L343-Q391 HydrophobicContact CB-CG 4.4Å; E385-Q391 PolarHBondContact O-NE2 3.48Å; G386-Q391 PolarHBondContact O-NE2 3.32Å; T387-Q391 WeakPolarHBondContact O-CG 3.49Å; T387-Q391 PolarHBondContact O-N 2.97Å; S388-Q391 PolarHBondContact O-N 2.82Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 3.4Å; Q391-L393 VanDerWaalsContact C-N 3.32Å; Q391-L393 PolarHBondContact O-N 3.01Å; Q391-V394 PolarHBondContact O-N 2.81Å; Q391-I395 WeakPolarHBondContact O-CD1 3.07Å; Q391-I395 WeakPolarHBondContact O-CG1 3.3Å; Q391-I395 PolarHBondContact O-N 2.9Å
392	R	98.8	Very high	97.7	Very high	110 Å²	110	55.7 Å²	55.7	42%	0.415	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-41.6	175.6	-72.7	173.9	172.1	93.9	10.6	112.2	L343 E347 S388 E389 I390 I395 A396	L343-R392 HydrophobicContact CD2-CG 3.82Å; E347-R392 IonicContact OE1-CZ 3.2Å; E347-R392 VanDerWaalsContact OE1-CZ 3.28Å; E347-R392 IonicContact OE1-NH1 2.83Å; E347-R392 PolarHBondContact OE1-NH1 3.23Å; E347-R392 IonicContact OE1-NH2 4Å; E347-R392 PolarHBondContact OE1-NH2 2.99Å; E347-R392 IonicContact OE2-NH2 2.8Å; E347-R392 PolarHBondContact OE2-NH2 2.97Å; S388-R392 VanDerWaalsContact CB-NH1 3.34Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 2.94Å; E389-R392 WeakPolarHBondContact O-CB 3.33Å; E389-R392 PolarHBondContact O-N 3.49Å; I390-R392 PolarHBondContact O-N 2.89Å; R392-I395 PolarHBondContact O-N 2.95Å; R392-A396 VanDerWaalsContact O-CB 3.28Å; R392-A396 WeakPolarHBondContact O-CB 3.44Å; R392-A396 PolarHBondContact O-N 3.28Å
393	L	98.6	Very high	97.2	Very high	121 Å²	121	63.5 Å²	63.5	63%	0.634	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-42.8	175.6	-72	178.7	0	0	0	112.4	E389 I390 Q391 G397	E389-L393 WeakPolarHBondContact O-CG 2.97Å; E389-L393 PolarHBondContact O-N 3.44Å; I390-L393 HydrophobicContact CD1-CD1 4.11Å; I390-L393 PolarHBondContact O-N 3.47Å; Q391-L393 VanDerWaalsContact C-N 3.32Å; Q391-L393 PolarHBondContact O-N 3.01Å; L393-G397 PolarHBondContact O-N 2.73Å
394	V	98.4	Very high	96.5	Very high	33 Å²	33	67.4 Å²	67.4	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-47.7	175.7	171.4	0	0	0	0	110.3	T335 A339 I390 Q391 G397 Q398	T335-V394 HydrophobicContact CG2-CG1 3.71Å; A339-V394 HydrophobicContact CB-CB 4.15Å; A339-V394 HydrophobicContact CB-CG1 3.85Å; I390-V394 WeakPolarHBondContact O-CG2 3.44Å; I390-V394 PolarHBondContact O-N 3.38Å; Q391-V394 PolarHBondContact O-N 2.81Å; V394-G397 PolarHBondContact O-N 2.75Å; V394-Q398 WeakPolarHBondContact O-CG 3.47Å; V394-Q398 PolarHBondContact O-N 3.41Å
395	I	98.7	Very high	94.6	Very high	20 Å²	20	73.2 Å²	73.2	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-52.1	178.7	-66.3	162.5	0	0	0	110.6	A339 M340 L343 Q391 R392 G397 Q398 I399	A339-I395 HydrophobicContact CB-CD1 4.26Å; A339-I395 HydrophobicContact CB-CG1 3.77Å; M340-I395 HydrophobicContact CB-CD1 4.39Å; M340-I395 HydrophobicContact CE-CG2 3.73Å; M340-I395 HydrophobicContact CG-CD1 3.73Å; M340-I395 HydrophobicContact CG-CG1 3.88Å; M340-I395 HydrophobicContact CG-CG2 4.43Å; L343-I395 HydrophobicContact CD2-CD1 3.94Å; Q391-I395 WeakPolarHBondContact O-CD1 3.07Å; Q391-I395 WeakPolarHBondContact O-CG1 3.3Å; Q391-I395 PolarHBondContact O-N 2.9Å; R392-I395 PolarHBondContact O-N 2.95Å; I395-G397 VanDerWaalsContact C-N 3.3Å; I395-G397 PolarHBondContact O-N 3.03Å; I395-Q398 PolarHBondContact O-N 3.07Å; I395-I399 HydrophobicContact CG2-CD1 3.68Å; I395-I399 HydrophobicContact CG2-CG1 4.36Å; I395-I399 WeakPolarHBondContact O-CG1 3.48Å; I395-I399 PolarHBondContact O-N 2.74Å
396	A	98.4	Very high	94.4	Very high	46 Å²	46	75.7 Å²	75.7	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-43.3	179.3	0	0	0	0	0	111.4	R392 Q398 I399 L400	R392-A396 VanDerWaalsContact O-CB 3.28Å; R392-A396 WeakPolarHBondContact O-CB 3.44Å; R392-A396 PolarHBondContact O-N 3.28Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; A396-Q398 PolarHBondContact O-N 2.79Å; A396-I399 PolarHBondContact O-N 2.72Å; A396-L400 VanDerWaalsContact O-CG 3.31Å; A396-L400 WeakPolarHBondContact O-CG 3.4Å; A396-L400 PolarHBondContact O-N 3.36Å
397	G	97.6	Very high	94.2	Very high	30 Å²	30	78.6 Å²	78.6	31%	0.309	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-36	177.6	0	0	0	0	0	113.7	L393 V394 I395 K401	L393-G397 PolarHBondContact O-N 2.73Å; V394-G397 PolarHBondContact O-N 2.75Å; I395-G397 VanDerWaalsContact C-N 3.3Å; I395-G397 PolarHBondContact O-N 3.03Å; G397-K401 VanDerWaalsContact O-CG 3.3Å; G397-K401 WeakPolarHBondContact O-CG 3.32Å; G397-K401 PolarHBondContact O-N 2.9Å
398	Q	97.3	Very high	93.9	Very high	45 Å²	45	81.4 Å²	81.4	21%	0.21	42%	0.417	C	S	.	.	H	α-helix	trans	-74.1	-44.2	175.4	-65.6	-64.5	-19.4	0	0	111.6	T335 K336 V394 I395 A396 L400 K401 E402	T335-Q398 HydrophobicContact CG2-CG 4.47Å; K336-Q398 HydrophobicContact CB-CB 3.85Å; K336-Q398 HydrophobicContact CB-CG 4Å; K336-Q398 HydrophobicContact CD-CB 4.08Å; K336-Q398 HydrophobicContact CG-CB 4.04Å; V394-Q398 WeakPolarHBondContact O-CG 3.47Å; V394-Q398 PolarHBondContact O-N 3.41Å; I395-Q398 PolarHBondContact O-N 3.07Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; A396-Q398 PolarHBondContact O-N 2.79Å; Q398-L400 PolarHBondContact O-N 2.79Å; Q398-K401 PolarHBondContact O-N 2.97Å; Q398-E402 WeakPolarHBondContact O-CG 3.29Å; Q398-E402 PolarHBondContact O-N 2.9Å
399	I	95.7	Very high	93.6	Very high	64 Å²	64	85.9 Å²	85.9	33%	0.328	44%	0.439	S	S	.	.	H	α-helix	trans	-56.7	-49.3	176.2	-70	171.9	0	0	0	110.3	K336 I395 A396 K401 E402 Y403	K336-I399 HydrophobicContact CD-CG1 4.2Å; I395-I399 HydrophobicContact CG2-CD1 3.68Å; I395-I399 HydrophobicContact CG2-CG1 4.36Å; I395-I399 WeakPolarHBondContact O-CG1 3.48Å; I395-I399 PolarHBondContact O-N 2.74Å; A396-I399 PolarHBondContact O-N 2.72Å; I399-K401 VanDerWaalsContact C-N 3.25Å; I399-K401 PolarHBondContact O-N 2.89Å; I399-E402 WeakPolarHBondContact O-CB 3.47Å; I399-E402 PolarHBondContact O-N 2.93Å; I399-Y403 HydrophobicContact CG2-CD2 4.43Å; I399-Y403 HydrophobicContact CG2-CE2 4.22Å; I399-Y403 WeakPolarHBondContact O-CD2 3.45Å
400	L	95.6	Very high	93.3	Very high	114 Å²	114	84.2 Å²	84.2	60%	0.597	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-33.9	-178.6	-70.3	172.7	0	0	0	112.8	A396 Q398 E402 Y403 Q404	A396-L400 VanDerWaalsContact O-CG 3.31Å; A396-L400 WeakPolarHBondContact O-CG 3.4Å; A396-L400 PolarHBondContact O-N 3.36Å; Q398-L400 PolarHBondContact O-N 2.79Å; L400-E402 VanDerWaalsContact C-N 3.34Å; L400-Y403 PolarHBondContact O-N 2.82Å; L400-Q404 WeakPolarHBondContact O-CG 3.47Å; L400-Q404 PolarHBondContact O-N 3.21Å
401	K	94.3	Very high	93	Very high	126 Å²	126	87.3 Å²	87.3	55%	0.548	45%	0.45	S	S	.	.	H	α-helix	trans	-67.6	-32.7	175.7	-72.2	171.5	-174.9	176.8	0	112.8	G397 Q398 I399 Y403 Q404	G397-K401 VanDerWaalsContact O-CG 3.3Å; G397-K401 WeakPolarHBondContact O-CG 3.32Å; G397-K401 PolarHBondContact O-N 2.9Å; Q398-K401 PolarHBondContact O-N 2.97Å; I399-K401 VanDerWaalsContact C-N 3.25Å; I399-K401 PolarHBondContact O-N 2.89Å; K401-Y403 PolarHBondContact O-N 3.31Å; K401-Q404 PolarHBondContact O-N 3.22Å
402	E	91.8	Very high	92.5	Very high	92 Å²	92	93.5 Å²	93.5	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-21.1	178.6	-69.4	164.4	-159.6	0	0	113.2	K336 Q398 I399 L400 S405	K336-E402 WeakPolarHBondContact CD-OE1 3.48Å; K336-E402 WeakPolarHBondContact CE-OE1 3.4Å; K336-E402 VanDerWaalsContact NZ-CD 3.32Å; K336-E402 IonicContact NZ-OE1 2.86Å; K336-E402 PolarHBondContact NZ-OE1 2.99Å; K336-E402 IonicContact NZ-OE2 2.68Å; K336-E402 PolarHBondContact NZ-OE2 3.29Å; Q398-E402 WeakPolarHBondContact O-CG 3.29Å; Q398-E402 PolarHBondContact O-N 2.9Å; I399-E402 WeakPolarHBondContact O-CB 3.47Å; I399-E402 PolarHBondContact O-N 2.93Å; L400-E402 VanDerWaalsContact C-N 3.34Å; E402-S405 PolarHBondContact O-OG 3.25Å
403	Y	88.8	Confident	92.1	Very high	195 Å²	195	92.2 Å²	92.2	77%	0.765	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	0.1	179.2	-69.7	-95.9	0	0	0	113.5	I399 L400 K401 S405	I399-Y403 HydrophobicContact CG2-CD2 4.43Å; I399-Y403 HydrophobicContact CG2-CE2 4.22Å; I399-Y403 WeakPolarHBondContact O-CD2 3.45Å; L400-Y403 PolarHBondContact O-N 2.82Å; K401-Y403 PolarHBondContact O-N 3.31Å; Y403-S405 VanDerWaalsContact C-N 3.35Å
404	Q	84.9	Confident	91.5	Very high	155 Å²	155	89.8 Å²	89.8	72%	0.724	48%	0.475	S	S	*	.			trans	-90.4	-1.5	175.6	-76.9	175	-6	0	0	113	L400 K401	L400-Q404 WeakPolarHBondContact O-CG 3.47Å; L400-Q404 PolarHBondContact O-N 3.21Å; K401-Q404 PolarHBondContact O-N 3.22Å
405	S	56.9	Low	90.9	Very high	158 Å²	158	95 Å²	95	100%	1.105	50%	0.5	S	S	*	.			trans	-79.8	0	178.1	58.2	0	0	0	0	113.4	E402 Y403	E402-S405 PolarHBondContact O-OG 3.25Å; Y403-S405 VanDerWaalsContact C-N 3.35Å

Retrieved 405 of 405 residues in 117.5 ms (Link to these results)

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