A0A096NVA2_PAPAN Loading...

E3 ubiquitin-protein ligase pellino homolog

E3 ubiquitin ligase catalyzing the covalent attachment of ubiquitin moieties onto substrate proteins.

AlphaFold DB , UniProt , Accession A0A096NVA2, Species PAPAN (Papio anubis, Olive baboon), Gene PELI2, Length 420 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	37.4	Very low	35.8	Very low	235 Å²	235	156.8 Å²	156.8	100%	1.158	87%	0.865	S	S	*	*				0	98.6	0	-75.9	177	-169.7	0	0	107.8
2	F	29.6	Very low	36.5	Very low	211 Å²	211	152.9 Å²	152.9	93%	0.925	85%	0.852	S	S	*	*			trans	-135.8	109.4	165.4	-83.1	-79.3	0	0	0	105.3
3	S	31.4	Very low	37.2	Very low	122 Å²	122	154.2 Å²	154.2	85%	0.853	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-72.8	130.4	176.2	-63.4	0	0	0	0	109
4	P	38.8	Very low	39.4	Very low	121 Å²	121	156.8 Å²	156.8	79%	0.786	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-78	134.7	170	23.6	-15.9	0	0	0	109.7
5	G	34.2	Very low	42	Very low	75 Å²	75	158.3 Å²	158.3	77%	0.773	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.8	174.5	0	0	0	0	0	111.1	E7	G5-E7 PolarHBondContact O-N 3.34Å
6	Q	36.5	Very low	45	Very low	194 Å²	194	154 Å²	154	91%	0.907	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-71.4	116.4	170	-77	176	-26.5	0	0	108.7	E8	Q6-E8 PolarHBondContact O-N 3.18Å
7	E	33.5	Very low	48.1	Very low	182 Å²	182	147.9 Å²	147.9	85%	0.85	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-55.3	123.6	166.2	-68.6	172.3	151.3	0	0	109.3	G5 H9	G5-E7 PolarHBondContact O-N 3.34Å; E7-H9 PolarHBondContact O-N 2.88Å
8	E	35.2	Very low	50.8	Low	192 Å²	192	143 Å²	143	90%	0.897	78%	0.775	S	S	*	*			trans	-60.2	109.3	164.5	-80.8	-177.6	147	0	0	108.3	Q6 C10	Q6-E8 PolarHBondContact O-N 3.18Å; E8-C10 PolarHBondContact O-N 3.46Å
9	H	35.6	Very low	53.3	Low	191 Å²	191	135.9 Å²	135.9	88%	0.884	74%	0.736	S	S	*	*			trans	-58.5	100.8	168	-96.2	-66.2	0	0	0	109.4	E7 A11	E7-H9 PolarHBondContact O-N 2.88Å; H9-A11 PolarHBondContact O-N 3.23Å
10	C	37.2	Very low	55.6	Low	125 Å²	125	129.2 Å²	129.2	85%	0.845	70%	0.699	S	S	*	*			trans	-59.5	107.5	166	-162.4	0	0	0	0	108	E8	E8-C10 PolarHBondContact O-N 3.46Å
11	A	44	Very low	57.6	Low	77 Å²	77	124.2 Å²	124.2	64%	0.636	67%	0.671	S	S	*	*			trans	-59.2	138.8	175.9	0	0	0	0	0	109.3	H9 N13	H9-A11 PolarHBondContact O-N 3.23Å; A11-N13 PolarHBondContact O-N 3.16Å
12	P	44.9	Very low	60.5	Low	110 Å²	110	113 Å²	113	71%	0.714	62%	0.617	S	S	*	*			trans	-60.6	128.3	179.6	24.5	-31.6	0	0	0	109	K14	P12-K14 VanDerWaalsContact C-N 3.27Å; P12-K14 PolarHBondContact O-N 2.87Å
13	N	45.6	Very low	63.8	Low	170 Å²	170	103.1 Å²	103.1	91%	0.909	57%	0.573	S	S	*	*			trans	-54.4	90.2	170.8	-94.9	-22.3	0	0	0	109	A11 E15	A11-N13 PolarHBondContact O-N 3.16Å; N13-E15 PolarHBondContact O-N 3.26Å
14	K	68.3	Low	67	Low	190 Å²	190	97.5 Å²	97.5	83%	0.826	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-66.7	122.5	171.5	-75.5	-175.3	176.9	-176.7	0	107.2	P12	P12-K14 VanDerWaalsContact C-N 3.27Å; P12-K14 PolarHBondContact O-N 2.87Å
15	E	78.4	Confident	69.8	Low	180 Å²	180	92.1 Å²	92.1	84%	0.841	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-51.7	140	171.5	-70.5	-171.2	155.8	0	0	109.9	N13 V17	N13-E15 PolarHBondContact O-N 3.26Å; E15-V17 PolarHBondContact O-N 3.37Å
16	P	90	Very high	72.6	Confident	89 Å²	89	88.8 Å²	88.8	58%	0.578	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.3	130.2	179.6	25.4	-32.6	0	0	0	109.7	K18 Y46	P16-K18 PolarHBondContact O-N 3.19Å; P16-K18 VanDerWaalsContact O-N 3.17Å; P16-Y46 HydrophobicContact CB-CD1 4.18Å; P16-Y46 HydrophobicContact CG-CD1 4.11Å; P16-Y46 HydrophobicContact CG-CE1 4.42Å; P16-Y46 WeakPolarHBondContact O-CD1 3.48Å
17	V	96.8	Very high	75.3	Confident	51 Å²	51	80.5 Å²	80.5	31%	0.309	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-56.9	120.9	179.5	177	0	0	0	0	109.7	E15 Y46 K47 Y151	E15-V17 PolarHBondContact O-N 3.37Å; V17-Y46 CarbonylContact O-C 3.53Å; V17-Y46 VanDerWaalsContact O-CA 3.32Å; V17-Y46 WeakPolarHBondContact O-CA 3.48Å; V17-K47 HydrophobicContact CB-CB 3.93Å; V17-K47 HydrophobicContact CB-CD 4.41Å; V17-K47 PolarHBondContact O-N 3.5Å; V17-Y151 HydrophobicContact CG1-CD1 4.36Å; V17-Y151 HydrophobicContact CG1-CD2 4.3Å; V17-Y151 HydrophobicContact CG1-CE1 4.07Å; V17-Y151 HydrophobicContact CG1-CE2 3.98Å; V17-Y151 HydrophobicContact CG1-CG 4.46Å
18	K	97.8	Very high	78.1	Confident	59 Å²	59	73 Å²	73	26%	0.257	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.3	174.4	-170.1	174.8	-179.6	175.7	0	109.4	P16 G20 E21 Y46 A258	P16-K18 PolarHBondContact O-N 3.19Å; P16-K18 VanDerWaalsContact O-N 3.17Å; K18-G20 WeakPolarHBondContact CE-O 3.5Å; K18-E21 WeakPolarHBondContact CE-OE2 3.25Å; K18-E21 IonicContact NZ-OE2 2.94Å; K18-E21 PolarHBondContact NZ-OE2 3.22Å; K18-Y46 HydrophobicContact CB-CD1 3.81Å; K18-Y46 HydrophobicContact CB-CE1 3.62Å; K18-Y46 HydrophobicContact CD-CE1 4.07Å; K18-Y46 HydrophobicContact CG-CD1 4.15Å; K18-Y46 HydrophobicContact CG-CE1 3.8Å; K18-A258 HydrophobicContact CB-CB 4.46Å; K18-A258 WeakPolarHBondContact O-CB 3.4Å
19	Y	98.4	Very high	80.7	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-40.9	172.9	-60.7	-48.8	0	0	0	111.4	L45 K47 D100 F102 C145 D146 R147 Y151 A258	Y19-L45 HydrophobicContact CD2-CB 4.31Å; Y19-L45 PolarHBondContact N-O 2.81Å; Y19-K47 HydrophobicContact CE1-CB 4.16Å; Y19-K47 VanDerWaalsContact CE2-CA 3.42Å; Y19-K47 HydrophobicContact CE2-CB 4.12Å; Y19-K47 VanDerWaalsContact CZ-CA 3.47Å; Y19-K47 WeakPolarHBondContact OH-CA 3.27Å; Y19-K47 WeakPolarHBondContact OH-CB 3.45Å; Y19-K47 VanDerWaalsContact OH-CG 3.31Å; Y19-K47 WeakPolarHBondContact OH-CG 3.34Å; Y19-D100 HydrophobicContact CE2-CB 3.98Å; Y19-D100 WeakPolarHBondContact CE2-OD2 3.23Å; Y19-D100 PolarHBondContact OH-OD2 2.86Å; Y19-F102 AromaticContact CD2-CE2 3.94Å; Y19-F102 HydrophobicContact CD2-CE2 3.94Å; Y19-F102 HydrophobicContact CD2-CZ 4.17Å; Y19-F102 AromaticContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CZ 4.14Å; Y19-C145 HydrophobicContact CD1-CB 3.93Å; Y19-C145 HydrophobicContact CD2-CB 3.55Å; Y19-C145 HydrophobicContact CE1-CB 4.08Å; Y19-C145 HydrophobicContact CE2-CB 3.71Å; Y19-C145 HydrophobicContact CG-CB 3.65Å; Y19-D146 WeakPolarHBondContact CE1-O 3.45Å; Y19-R147 WeakPolarHBondContact OH-CG 3.33Å; Y19-Y151 HydrophobicContact CD1-CD1 4.38Å; Y19-Y151 HydrophobicContact CD1-CG 4.31Å; Y19-Y151 AromaticContact CE1-CD1 3.9Å; Y19-Y151 HydrophobicContact CE1-CD1 3.9Å; Y19-Y151 HydrophobicContact CE1-CG 4.29Å; Y19-A258 PolarHBondContact O-N 3.14Å
20	G	98.3	Very high	83.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-161.7	-177.8	0	0	0	0	0	111.7	K18 L45 R256	K18-G20 WeakPolarHBondContact CE-O 3.5Å; G20-L45 PolarHBondContact O-N 2.83Å; G20-R256 CarbonylContact C-O 3.44Å; G20-R256 WeakPolarHBondContact CA-O 3.41Å
21	E	98.4	Very high	85.7	Confident	25 Å²	25	51.3 Å²	51.3	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138	-177.8	-164.3	159.3	139.5	0	0	111.5	K18 V23 R42 F43 A44 R256 L261	K18-E21 WeakPolarHBondContact CE-OE2 3.25Å; K18-E21 IonicContact NZ-OE2 2.94Å; K18-E21 PolarHBondContact NZ-OE2 3.22Å; E21-V23 HydrophobicContact CG-CG2 4.38Å; E21-R42 WeakPolarHBondContact OE1-CD 2.8Å; E21-F43 WeakPolarHBondContact CA-O 3.33Å; E21-A44 HydrophobicContact CG-CB 4.39Å; E21-R256 PolarHBondContact N-O 3.37Å; E21-R256 PolarHBondContact O-N 2.6Å; E21-L261 HydrophobicContact CB-CD1 3.59Å
22	L	98.8	Very high	87.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.3	167.1	-70.2	171	0	0	0	109.3	R42 F43 L45 V104 F114 I143 I246 L253 L254 W255	L22-R42 CarbonylContact O-C 3.57Å; L22-R42 WeakPolarHBondContact O-CA 3.33Å; L22-F43 HydrophobicContact CD1-CD1 4.49Å; L22-F43 PolarHBondContact N-O 3.26Å; L22-F43 PolarHBondContact O-N 3.1Å; L22-L45 HydrophobicContact CD1-CD1 4.3Å; L22-L45 HydrophobicContact CG-CD1 4.23Å; L22-V104 HydrophobicContact CD1-CG2 3.85Å; L22-F114 HydrophobicContact CB-CD1 4.31Å; L22-F114 HydrophobicContact CB-CE1 4.08Å; L22-F114 HydrophobicContact CD1-CD1 4.2Å; L22-I143 HydrophobicContact CD1-CG1 4.17Å; L22-I246 HydrophobicContact CD2-CD1 3.79Å; L22-L253 HydrophobicContact CD1-CD1 4.39Å; L22-L253 HydrophobicContact CD2-CB 4.38Å; L22-L253 HydrophobicContact CD2-CD1 4.43Å; L22-L254 CarbonylContact C-O 3.56Å; L22-L254 WeakPolarHBondContact CA-O 2.96Å; L22-W255 HydrophobicContact CD2-CB 4.29Å; L22-W255 HydrophobicContact CD2-CE3 3.89Å; L22-W255 HydrophobicContact CG-CE3 4.13Å
23	V	98.3	Very high	89.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	179.2	-171.2	0	0	0	0	109.3	E21 R42 L253 L254 E352 F355	E21-V23 HydrophobicContact CG-CG2 4.38Å; V23-R42 HydrophobicContact CB-CG 4.39Å; V23-R42 HydrophobicContact CG1-CG 3.92Å; V23-R42 HydrophobicContact CG2-CG 4.14Å; V23-L253 CarbonylContact O-C 3.58Å; V23-L253 VanDerWaalsContact O-CA 3.31Å; V23-L253 WeakPolarHBondContact O-CA 3.16Å; V23-L254 HydrophobicContact CB-CB 4.36Å; V23-L254 PolarHBondContact N-O 2.87Å; V23-L254 PolarHBondContact O-N 3.03Å; V23-E352 HydrophobicContact CG1-CG 3.66Å; V23-F355 HydrophobicContact CB-CE1 4.07Å; V23-F355 HydrophobicContact CG1-CE1 3.54Å; V23-F355 HydrophobicContact CG1-CZ 3.64Å
24	V	97.8	Very high	91.1	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.3	178.3	-170.1	0	0	0	0	109.4	Y27 S41 F114 L253	V24-Y27 HydrophobicContact CB-CD2 4.11Å; V24-Y27 HydrophobicContact CG1-CD2 3.63Å; V24-Y27 HydrophobicContact CG1-CE2 3.66Å; V24-S41 PolarHBondContact N-O 2.84Å; V24-F114 HydrophobicContact CG2-CE1 4Å; V24-F114 HydrophobicContact CG2-CZ 3.57Å; V24-L253 HydrophobicContact CB-CD2 4.15Å; V24-L253 HydrophobicContact CG1-CD2 4.21Å; V24-L253 HydrophobicContact CG2-CD2 3.7Å
25	L	97.2	Very high	92	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	147.6	172.8	-81.5	65.9	0	0	0	110.5	L245 T252 L254 F355 W381 L386	L25-L245 HydrophobicContact CD1-CD2 4.43Å; L25-T252 HydrophobicContact CD1-CG2 4.47Å; L25-T252 HydrophobicContact CD2-CG2 4.08Å; L25-T252 PolarHBondContact N-O 2.48Å; L25-L254 HydrophobicContact CD1-CB 3.84Å; L25-F355 HydrophobicContact CD1-CE1 3.9Å; L25-F355 HydrophobicContact CD1-CZ 4.21Å; L25-F355 HydrophobicContact CG-CE1 4.19Å; L25-F355 HydrophobicContact CG-CZ 4.15Å; L25-W381 HydrophobicContact CD2-CH2 4.06Å; L25-W381 HydrophobicContact CD2-CZ3 3.77Å; L25-L386 HydrophobicContact CD2-CD1 4.21Å; L25-L386 HydrophobicContact CD2-CD2 4.36Å
26	G	94.8	Very high	92.4	Very high	6 Å²	6	37.9 Å²	37.9	6%	0.062	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	5.8	169.2	0	0	0	0	0	116.4	P398 F399 C400	G26-P398 PolarHBondContact N-O 2.86Å; G26-F399 CarbonylContact C-O 3.53Å; G26-C400 CarbonylContact O-C 3.45Å; G26-C400 WeakPolarHBondContact O-CA 3.5Å
27	Y	92.3	Very high	92.4	Very high	20 Å²	20	36.7 Å²	36.7	8%	0.078	21%	0.212	C	C	.	.	S	Bend	trans	-125.1	5.9	-177.9	-63.1	-60.3	0	0	0	115.2	V24 G29 A30 L31 P32 D118 T119 F399	V24-Y27 HydrophobicContact CB-CD2 4.11Å; V24-Y27 HydrophobicContact CG1-CD2 3.63Å; V24-Y27 HydrophobicContact CG1-CE2 3.66Å; Y27-G29 PolarHBondContact O-N 2.88Å; Y27-A30 CarbonylContact O-C 3.54Å; Y27-A30 PolarHBondContact O-N 2.82Å; Y27-L31 HydrophobicContact CD1-CD2 4.25Å; Y27-L31 HydrophobicContact CD2-CD2 3.35Å; Y27-L31 HydrophobicContact CE1-CD2 4.39Å; Y27-L31 HydrophobicContact CE2-CD2 3.51Å; Y27-L31 HydrophobicContact CG-CD2 3.72Å; Y27-P32 HydrophobicContact CD1-CG 4.04Å; Y27-P32 HydrophobicContact CE1-CG 3.88Å; Y27-D118 PolarHBondContact OH-O 3.1Å; Y27-T119 WeakPolarHBondContact OH-CA 3.17Å; Y27-F399 CarbonylContact C-O 3.58Å; Y27-F399 PolarHBondContact N-O 2.91Å; Y27-F399 VanDerWaalsContact N-O 3.08Å
28	N	92.8	Very high	92.2	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.123	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	45.9	177.3	-155.5	13	0	0	0	113.5	A30 L349 C351 E352 F399	N28-A30 PolarHBondContact O-N 3.02Å; N28-L349 PolarHBondContact ND2-O 3.38Å; N28-L349 VanDerWaalsContact ND2-O 3.09Å; N28-C351 WeakPolarHBondContact OD1-CA 3.29Å; N28-C351 PolarHBondContact OD1-N 3.11Å; N28-E352 PolarHBondContact OD1-N 2.89Å; N28-F399 HydrophobicContact CB-CB 4.06Å; N28-F399 WeakPolarHBondContact CB-O 3.38Å; N28-F399 PolarHBondContact N-O 2.96Å; N28-F399 WeakPolarHBondContact OD1-CD1 3.44Å
29	G	89.4	Confident	92	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.6	175.3	0	0	0	0	0	117.3	Y27 S41 R42 E352	Y27-G29 PolarHBondContact O-N 2.88Å; G29-S41 VanDerWaalsContact C-OG 3.28Å; G29-S41 PolarHBondContact O-OG 2.95Å; G29-R42 PolarHBondContact O-NH2 3.22Å; G29-E352 WeakPolarHBondContact CA-OE2 3.48Å
30	A	89.3	Confident	91.8	Very high	30 Å²	30	44.1 Å²	44.1	25%	0.248	24%	0.236	C	C	.	.	S	Bend	trans	-156.7	139.7	162.6	0	0	0	0	0	112.8	Y27 N28 K299	Y27-A30 CarbonylContact O-C 3.54Å; Y27-A30 PolarHBondContact O-N 2.82Å; N28-A30 PolarHBondContact O-N 3.02Å; A30-K299 PolarHBondContact O-NZ 3.29Å
31	L	88.6	Confident	91.6	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	24%	0.236	C	C	.	.			trans	-63.2	155.4	177	-60.4	176.9	0	0	0	112.3	Y27 N33 G34 D35 R39	Y27-L31 HydrophobicContact CD1-CD2 4.25Å; Y27-L31 HydrophobicContact CD2-CD2 3.35Å; Y27-L31 HydrophobicContact CE1-CD2 4.39Å; Y27-L31 HydrophobicContact CE2-CD2 3.51Å; Y27-L31 HydrophobicContact CG-CD2 3.72Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.91Å; L31-G34 WeakPolarHBondContact O-CA 3.26Å; L31-G34 PolarHBondContact O-N 2.87Å; L31-D35 WeakPolarHBondContact CG-OD1 3.38Å; L31-D35 PolarHBondContact N-OD1 3.33Å; L31-R39 HydrophobicContact CD1-CG 3.63Å
32	P	82.5	Confident	91.5	Very high	58 Å²	58	47.1 Å²	47.1	38%	0.377	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.2	-178.2	-27	35.1	0	0	0	113.8	Y27 G34	Y27-P32 HydrophobicContact CD1-CG 4.04Å; Y27-P32 HydrophobicContact CE1-CG 3.88Å; P32-G34 VanDerWaalsContact C-N 3.28Å; P32-G34 PolarHBondContact O-N 3.29Å
33	N	80.8	Confident	91.5	Very high	107 Å²	107	48.8 Å²	48.8	57%	0.572	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	14.2	177.8	-67.3	-48.7	0	0	0	113.7	L31 R36	L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.91Å; N33-R36 PolarHBondContact O-NE 3.33Å
34	G	83.4	Confident	91.5	Very high	32 Å²	32	50 Å²	50	33%	0.33	26%	0.263	S	S	.	.			trans	72.7	164	-171.6	0	0	0	0	0	113.7	L31 P32	L31-G34 WeakPolarHBondContact O-CA 3.26Å; L31-G34 PolarHBondContact O-N 2.87Å; P32-G34 VanDerWaalsContact C-N 3.28Å; P32-G34 PolarHBondContact O-N 3.29Å
35	D	87.2	Confident	91.5	Very high	62 Å²	62	49.7 Å²	49.7	33%	0.332	26%	0.262	S	S	.	.			trans	-78.8	121.9	176.2	-74	2.1	0	0	0	109.7	L31 K40 S41	L31-D35 WeakPolarHBondContact CG-OD1 3.38Å; L31-D35 PolarHBondContact N-OD1 3.33Å; D35-K40 HydrophobicContact CB-CB 4.04Å; D35-K40 HydrophobicContact CB-CG 4.02Å; D35-K40 WeakPolarHBondContact OD1-CA 3.47Å; D35-S41 VanDerWaalsContact CG-N 3.3Å; D35-S41 PolarHBondContact OD1-N 2.71Å; D35-S41 PolarHBondContact OD2-N 3.19Å; D35-S41 VanDerWaalsContact OD2-N 3.12Å; D35-S41 PolarHBondContact OD2-OG 2.94Å
36	R	87.2	Confident	91.6	Very high	186 Å²	186	54.2 Å²	54.2	70%	0.702	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-136.2	124.6	-176.8	-62.4	-173.7	-169.6	-167.1	-0	111.8	N33 R38 R39	N33-R36 PolarHBondContact O-NE 3.33Å; R36-R38 PolarHBondContact O-N 2.96Å; R36-R38 VanDerWaalsContact O-N 3.15Å; R36-R39 PolarHBondContact N-O 3.2Å; R36-R39 PolarHBondContact O-N 3.4Å; R36-R39 VanDerWaalsContact O-O 3.12Å
37	G	90.8	Very high	91.7	Very high	64 Å²	64	57 Å²	57	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-118.3	176.1	0	0	0	0	0	111.6	K40	G37-K40 WeakPolarHBondContact O-CE 3.5Å
38	R	92.9	Very high	92	Very high	95 Å²	95	58.9 Å²	58.9	36%	0.358	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	176.4	-70.1	177.5	-76.4	142.1	-0.8	114.2	R36 T108 E109 I112 D113 V115	R36-R38 PolarHBondContact O-N 2.96Å; R36-R38 VanDerWaalsContact O-N 3.15Å; R38-T108 PolarHBondContact NH2-O 2.82Å; R38-E109 PolarHBondContact NH1-O 2.82Å; R38-I112 WeakPolarHBondContact CD-O 3.27Å; R38-I112 PolarHBondContact NH1-O 3.19Å; R38-D113 WeakPolarHBondContact CG-O 3.49Å; R38-V115 HydrophobicContact CB-CG2 3.81Å; R38-V115 PolarHBondContact O-N 2.79Å
39	R	93	Very high	92.2	Very high	95 Å²	95	64.2 Å²	64.2	36%	0.358	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-93.7	101.4	176.9	-175.7	-175.4	-176.7	-172.4	3.4	108	L31 R36 V115 T117	L31-R39 HydrophobicContact CD1-CG 3.63Å; R36-R39 PolarHBondContact N-O 3.2Å; R36-R39 PolarHBondContact O-N 3.4Å; R36-R39 VanDerWaalsContact O-O 3.12Å; R39-V115 HydrophobicContact CB-CB 4.28Å; R39-T117 PolarHBondContact NH2-OG1 3.13Å
40	K	94.4	Very high	92.6	Very high	86 Å²	86	72.1 Å²	72.1	37%	0.374	36%	0.363	S	S	.	.			trans	-139.7	163.3	-175.5	-53.5	-169.6	-170.3	-177.2	0	110.7	D35 G37 R42 F114	D35-K40 HydrophobicContact CB-CB 4.04Å; D35-K40 HydrophobicContact CB-CG 4.02Å; D35-K40 WeakPolarHBondContact OD1-CA 3.47Å; G37-K40 WeakPolarHBondContact O-CE 3.5Å; K40-R42 VanDerWaalsContact C-N 3.28Å; K40-R42 VanDerWaalsContact CB-O 3.31Å; K40-R42 WeakPolarHBondContact CB-O 3.15Å; K40-F114 HydrophobicContact CB-CE2 4.22Å; K40-F114 WeakPolarHBondContact O-CE2 3.25Å; K40-F114 WeakPolarHBondContact O-CZ 3.45Å
41	S	94.4	Very high	93.1	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.007	36%	0.36	C	S	.	.	S	Bend	trans	-74	-22.9	168.8	60.5	0	0	0	0	112.7	V24 G29 D35	V24-S41 PolarHBondContact N-O 2.84Å; G29-S41 VanDerWaalsContact C-OG 3.28Å; G29-S41 PolarHBondContact O-OG 2.95Å; D35-S41 VanDerWaalsContact CG-N 3.3Å; D35-S41 PolarHBondContact OD1-N 2.71Å; D35-S41 PolarHBondContact OD2-N 3.19Å; D35-S41 VanDerWaalsContact OD2-N 3.12Å; D35-S41 PolarHBondContact OD2-OG 2.94Å
42	R	96.1	Very high	93.5	Very high	87 Å²	87	73.6 Å²	73.6	33%	0.328	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.6	-176.7	-73.2	177	-78.4	166.1	-5.6	112.2	E21 L22 V23 G29 K40 E352	E21-R42 WeakPolarHBondContact OE1-CD 2.8Å; L22-R42 CarbonylContact O-C 3.57Å; L22-R42 WeakPolarHBondContact O-CA 3.33Å; V23-R42 HydrophobicContact CB-CG 4.39Å; V23-R42 HydrophobicContact CG1-CG 3.92Å; V23-R42 HydrophobicContact CG2-CG 4.14Å; G29-R42 PolarHBondContact O-NH2 3.22Å; K40-R42 VanDerWaalsContact C-N 3.28Å; K40-R42 VanDerWaalsContact CB-O 3.31Å; K40-R42 WeakPolarHBondContact CB-O 3.15Å; R42-E352 VanDerWaalsContact CD-OE2 3.25Å; R42-E352 WeakPolarHBondContact CD-OE2 3.44Å; R42-E352 IonicContact CZ-OE2 2.78Å; R42-E352 IonicContact NE-OE2 3.16Å; R42-E352 PolarHBondContact NE-OE2 3.25Å
43	F	97.9	Very high	94.3	Very high	36 Å²	36	70.9 Å²	70.9	16%	0.158	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	107.3	178.6	-179	-111.4	0	0	0	111.3	E21 L22 L45 F102 D113 F114	E21-F43 WeakPolarHBondContact CA-O 3.33Å; L22-F43 HydrophobicContact CD1-CD1 4.49Å; L22-F43 PolarHBondContact N-O 3.26Å; L22-F43 PolarHBondContact O-N 3.1Å; F43-L45 HydrophobicContact CD1-CD1 3.43Å; F43-L45 VanDerWaalsContact CD1-CD1 3.43Å; F43-L45 HydrophobicContact CD1-CG 4.19Å; F43-L45 HydrophobicContact CE1-CD1 3.62Å; F43-L45 HydrophobicContact CE1-CG 3.85Å; F43-L45 HydrophobicContact CG-CD1 4.44Å; F43-L45 VanDerWaalsContact O-CD1 3.27Å; F43-L45 WeakPolarHBondContact O-CD1 3.31Å; F43-F102 HydrophobicContact CE1-CB 4.42Å; F43-F102 HydrophobicContact CE1-CD1 4.11Å; F43-F102 HydrophobicContact CZ-CD1 4.12Å; F43-D113 HydrophobicContact CE1-CB 4.13Å; F43-D113 HydrophobicContact CE2-CB 4.41Å; F43-D113 HydrophobicContact CZ-CB 3.67Å; F43-F114 HydrophobicContact CB-CB 4.16Å; F43-F114 HydrophobicContact CB-CD1 3.75Å; F43-F114 HydrophobicContact CB-CD2 3.53Å; F43-F114 HydrophobicContact CB-CE1 3.91Å; F43-F114 HydrophobicContact CB-CE2 3.69Å; F43-F114 HydrophobicContact CB-CG 3.55Å; F43-F114 HydrophobicContact CB-CZ 3.87Å; F43-F114 HydrophobicContact CD1-CB 3.71Å; F43-F114 HydrophobicContact CD1-CD1 4.32Å; F43-F114 HydrophobicContact CD1-CG 4.02Å; F43-F114 HydrophobicContact CD2-CB 4.22Å; F43-F114 HydrophobicContact CD2-CD2 4.28Å; F43-F114 HydrophobicContact CD2-CG 4.39Å; F43-F114 HydrophobicContact CE1-CB 4.16Å; F43-F114 HydrophobicContact CG-CB 3.76Å; F43-F114 HydrophobicContact CG-CD1 4.24Å; F43-F114 AromaticContact CG-CD2 3.93Å; F43-F114 HydrophobicContact CG-CD2 3.93Å; F43-F114 AromaticContact CG-CG 3.73Å; F43-F114 HydrophobicContact CG-CG 3.73Å
44	A	97.8	Very high	95.1	Very high	26 Å²	26	66.8 Å²	66.8	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.7	176.1	0	0	0	0	0	110.9	E21 Y46	E21-A44 HydrophobicContact CG-CB 4.39Å; A44-Y46 HydrophobicContact CB-CD2 4.16Å; A44-Y46 HydrophobicContact CB-CE2 3.43Å; A44-Y46 VanDerWaalsContact CB-CE2 3.43Å
45	L	98.6	Very high	95.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.8	178	-73.3	70	0	0	0	108.4	Y19 G20 L22 F43 F102 I143 W255	Y19-L45 HydrophobicContact CD2-CB 4.31Å; Y19-L45 PolarHBondContact N-O 2.81Å; G20-L45 PolarHBondContact O-N 2.83Å; L22-L45 HydrophobicContact CD1-CD1 4.3Å; L22-L45 HydrophobicContact CG-CD1 4.23Å; F43-L45 HydrophobicContact CD1-CD1 3.43Å; F43-L45 VanDerWaalsContact CD1-CD1 3.43Å; F43-L45 HydrophobicContact CD1-CG 4.19Å; F43-L45 HydrophobicContact CE1-CD1 3.62Å; F43-L45 HydrophobicContact CE1-CG 3.85Å; F43-L45 HydrophobicContact CG-CD1 4.44Å; F43-L45 VanDerWaalsContact O-CD1 3.27Å; F43-L45 WeakPolarHBondContact O-CD1 3.31Å; L45-F102 HydrophobicContact CB-CD2 4.44Å; L45-F102 HydrophobicContact CB-CE1 4.43Å; L45-F102 HydrophobicContact CB-CE2 4.25Å; L45-F102 HydrophobicContact CB-CZ 4.25Å; L45-F102 HydrophobicContact CD2-CB 4.04Å; L45-F102 HydrophobicContact CD2-CD1 4.43Å; L45-F102 HydrophobicContact CD2-CD2 3.54Å; L45-F102 HydrophobicContact CD2-CE2 4.09Å; L45-F102 HydrophobicContact CD2-CG 3.74Å; L45-F102 HydrophobicContact CG-CB 4.44Å; L45-F102 HydrophobicContact CG-CD1 4.11Å; L45-F102 HydrophobicContact CG-CD2 4.03Å; L45-F102 HydrophobicContact CG-CE1 4.4Å; L45-F102 HydrophobicContact CG-CE2 4.33Å; L45-F102 HydrophobicContact CG-CG 3.92Å; L45-I143 HydrophobicContact CD2-CB 3.97Å; L45-I143 HydrophobicContact CD2-CG2 3.71Å; L45-W255 HydrophobicContact CD1-CZ3 4.1Å; L45-W255 HydrophobicContact CD2-CH2 4.36Å; L45-W255 HydrophobicContact CD2-CZ3 3.97Å; L45-W255 HydrophobicContact CG-CZ3 4.49Å
46	Y	98.5	Very high	96.1	Very high	101 Å²	101	70.7 Å²	70.7	40%	0.396	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.8	177.3	-66.7	-86.5	0	0	0	110.7	P16 V17 K18 A44 R48 F102	P16-Y46 HydrophobicContact CB-CD1 4.18Å; P16-Y46 HydrophobicContact CG-CD1 4.11Å; P16-Y46 HydrophobicContact CG-CE1 4.42Å; P16-Y46 WeakPolarHBondContact O-CD1 3.48Å; V17-Y46 CarbonylContact O-C 3.53Å; V17-Y46 VanDerWaalsContact O-CA 3.32Å; V17-Y46 WeakPolarHBondContact O-CA 3.48Å; K18-Y46 HydrophobicContact CB-CD1 3.81Å; K18-Y46 HydrophobicContact CB-CE1 3.62Å; K18-Y46 HydrophobicContact CD-CE1 4.07Å; K18-Y46 HydrophobicContact CG-CD1 4.15Å; K18-Y46 HydrophobicContact CG-CE1 3.8Å; A44-Y46 HydrophobicContact CB-CD2 4.16Å; A44-Y46 HydrophobicContact CB-CE2 3.43Å; A44-Y46 VanDerWaalsContact CB-CE2 3.43Å; Y46-R48 PolarHBondContact O-N 3.39Å; Y46-R48 VanDerWaalsContact O-N 3.15Å; Y46-F102 VanDerWaalsContact O-CZ 3.31Å; Y46-F102 WeakPolarHBondContact O-CZ 3.25Å
47	K	98.5	Very high	96.4	Very high	64 Å²	64	64.4 Å²	64.4	28%	0.278	33%	0.33	S	S	.	.			trans	-51.6	121.4	171	-179.7	164.6	-179.8	173.4	0	110.3	V17 Y19 D100 R147	V17-K47 HydrophobicContact CB-CB 3.93Å; V17-K47 HydrophobicContact CB-CD 4.41Å; V17-K47 PolarHBondContact O-N 3.5Å; Y19-K47 HydrophobicContact CE1-CB 4.16Å; Y19-K47 VanDerWaalsContact CE2-CA 3.42Å; Y19-K47 HydrophobicContact CE2-CB 4.12Å; Y19-K47 VanDerWaalsContact CZ-CA 3.47Å; Y19-K47 WeakPolarHBondContact OH-CA 3.27Å; Y19-K47 WeakPolarHBondContact OH-CB 3.45Å; Y19-K47 VanDerWaalsContact OH-CG 3.31Å; Y19-K47 WeakPolarHBondContact OH-CG 3.34Å; K47-D100 WeakPolarHBondContact CA-OD2 3.4Å; K47-R147 WeakPolarHBondContact CE-O 3.43Å; K47-R147 PolarHBondContact NZ-O 3.19Å
48	R	98.1	Very high	96.5	Very high	61 Å²	61	64.7 Å²	64.7	23%	0.23	32%	0.318	C	S	.	.			trans	-72.6	151.2	-177.9	-64.1	-174	-175.5	-92.1	9.4	110.2	Y46 K50 N52 D100 M101 F102 D113 R147	Y46-R48 PolarHBondContact O-N 3.39Å; Y46-R48 VanDerWaalsContact O-N 3.15Å; R48-K50 VanDerWaalsContact CB-O 3.29Å; R48-K50 WeakPolarHBondContact CB-O 3.01Å; R48-K50 PolarHBondContact O-N 2.95Å; R48-N52 VanDerWaalsContact CD-OD1 3.26Å; R48-N52 WeakPolarHBondContact CD-OD1 3.31Å; R48-N52 PolarHBondContact NE-ND2 3.38Å; R48-N52 PolarHBondContact NE-OD1 2.86Å; R48-D100 HydrophobicContact CG-CB 4.35Å; R48-D100 PolarHBondContact N-OD2 2.86Å; R48-M101 PolarHBondContact NE-O 2.89Å; R48-M101 PolarHBondContact NH2-O 2.95Å; R48-F102 HydrophobicContact CG-CE1 4.32Å; R48-F102 HydrophobicContact CG-CZ 4.11Å; R48-D113 IonicContact CZ-OD1 3.71Å; R48-D113 IonicContact NH1-OD1 3.19Å; R48-D113 IonicContact NH2-OD1 3.99Å; R48-D113 PolarHBondContact NH2-OD1 2.88Å; R48-D113 IonicContact NH2-OD2 2.74Å; R48-D113 PolarHBondContact NH2-OD2 3.44Å; R48-R147 PolarHBondContact O-NH1 3.43Å; R48-R147 PolarHBondContact O-NH2 2.82Å
49	P	97.4	Very high	96.5	Very high	135 Å²	135	64 Å²	64	88%	0.877	33%	0.325	S	S	*	.	S	Bend	trans	-55.6	-39.3	174.3	-26.3	34.6	0	0	0	112.7
50	K	97.8	Very high	96.3	Very high	177 Å²	177	61.9 Å²	61.9	77%	0.77	32%	0.319	S	S	*	.	S	Bend	trans	-124.8	140.3	173.5	-65.8	-175.8	179.6	-179.2	0	109.4	R48 N52	R48-K50 VanDerWaalsContact CB-O 3.29Å; R48-K50 WeakPolarHBondContact CB-O 3.01Å; R48-K50 PolarHBondContact O-N 2.95Å; K50-N52 PolarHBondContact O-N 2.86Å
51	A	98.4	Very high	96.1	Very high	22 Å²	22	62.3 Å²	62.3	18%	0.182	33%	0.328	C	S	.	.			trans	-56.2	137.1	173.7	0	0	0	0	0	109.9	H95 K97 D100	A51-H95 PolarHBondContact O-CE1 2.83Å; A51-K97 WeakPolarHBondContact CB-O 3.36Å; A51-D100 WeakPolarHBondContact CA-OD1 3.37Å
52	N	98.4	Very high	95.7	Very high	51 Å²	51	63 Å²	63	27%	0.273	33%	0.331	S	S	.	.			trans	-128.1	8.4	172.3	76.8	-38.1	0	0	0	112.3	R48 K50 D100 M101	R48-N52 VanDerWaalsContact CD-OD1 3.26Å; R48-N52 WeakPolarHBondContact CD-OD1 3.31Å; R48-N52 PolarHBondContact NE-ND2 3.38Å; R48-N52 PolarHBondContact NE-OD1 2.86Å; K50-N52 PolarHBondContact O-N 2.86Å; N52-D100 WeakPolarHBondContact OD1-CA 3.49Å; N52-M101 PolarHBondContact ND2-O 3.33Å; N52-M101 PolarHBondContact OD1-N 3.21Å; N52-M101 PolarHBondContact OD1-O 3.2Å
53	G	98.3	Very high	94.8	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	158	173.8	0	0	0	0	0	112.5	H95 D96 T99	G53-H95 PolarHBondContact O-ND1 2.58Å; G53-D96 PolarHBondContact O-N 3.35Å; G53-T99 WeakPolarHBondContact CA-O 3.26Å; G53-T99 WeakPolarHBondContact CA-OG1 3.37Å; G53-T99 PolarHBondContact N-O 2.8Å
54	V	98.3	Very high	93.3	Very high	21 Å²	21	64.7 Å²	64.7	13%	0.127	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.5	177.1	-65.9	0	0	0	0	111.1	H77 Y93 T94 M101 F160	V54-H77 HydrophobicContact CG1-CB 4.36Å; V54-H77 WeakPolarHBondContact CG1-ND1 3.41Å; V54-Y93 HydrophobicContact CB-CD1 4.23Å; V54-Y93 HydrophobicContact CG2-CD1 3.88Å; V54-T94 CarbonylContact C-O 3.55Å; V54-T94 WeakPolarHBondContact CA-O 3.41Å; V54-T94 WeakPolarHBondContact CB-O 3.16Å; V54-M101 HydrophobicContact CG2-CE 4.25Å; V54-M101 HydrophobicContact CG2-SD 4.12Å; V54-F160 HydrophobicContact CG2-CE2 3.65Å; V54-F160 HydrophobicContact CG2-CZ 3.96Å
55	K	96.9	Very high	91.7	Very high	92 Å²	92	67.5 Å²	67.5	40%	0.4	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.4	178.5	62.8	-172.8	170.9	-162.6	0	112.1	Y93 T94 D96	K55-Y93 VanDerWaalsContact C-CD1 3.45Å; K55-Y93 CarbonylContact O-C 3.47Å; K55-Y93 VanDerWaalsContact O-CA 3.26Å; K55-Y93 WeakPolarHBondContact O-CA 3.3Å; K55-T94 HydrophobicContact CG-CG2 3.99Å; K55-T94 PolarHBondContact N-O 3.03Å; K55-T94 PolarHBondContact O-N 2.93Å; K55-D96 HydrophobicContact CB-CB 4.28Å; K55-D96 HydrophobicContact CD-CB 4.1Å; K55-D96 HydrophobicContact CG-CB 4.13Å; K55-D96 IonicContact NZ-OD1 3.2Å; K55-D96 PolarHBondContact NZ-OD1 3.42Å
56	P	95.4	Very high	90.1	Very high	84 Å²	84	75 Å²	75	55%	0.545	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	144.5	177.9	-21.6	30.6	0	0	0	112	V91 Y93	P56-V91 HydrophobicContact CB-CG1 4.32Å; P56-Y93 HydrophobicContact CB-CE1 4.45Å; P56-Y93 HydrophobicContact CB-CE2 4.5Å; P56-Y93 HydrophobicContact CG-CE1 3.78Å; P56-Y93 HydrophobicContact CG-CE2 4.48Å
57	S	93.2	Very high	88.4	Confident	55 Å²	55	71.9 Å²	71.9	39%	0.385	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	-134.7	-178	-171.2	0	0	0	0	109.2	E92	S57-E92 WeakPolarHBondContact CA-O 3.32Å; S57-E92 WeakPolarHBondContact CB-O 3.03Å; S57-E92 PolarHBondContact N-O 2.99Å
58	T	91.7	Very high	86.8	Confident	69 Å²	69	69.8 Å²	69.8	42%	0.423	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	140.9	-179.4	-36.3	0	0	0	0	112.9	E92	T58-E92 PolarHBondContact O-N 3.41Å; T58-E92 PolarHBondContact OG1-OE2 3.03Å
59	V	92.6	Very high	85.2	Confident	81 Å²	81	74.3 Å²	74.3	49%	0.491	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.7	173.6	-176.1	0	0	0	0	109.5	V89 V91	V59-V89 HydrophobicContact CG1-CG1 3.55Å; V59-V91 HydrophobicContact CG1-CG2 4.36Å; V59-V91 HydrophobicContact CG2-CG1 4.41Å; V59-V91 HydrophobicContact CG2-CG2 4.21Å
60	H	90.2	Very high	83.4	Confident	51 Å²	51	70.7 Å²	70.7	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.1	176.6	-58.6	-75.7	0	0	0	110.4	I62 I71 V89 V90 E92	H60-I62 HydrophobicContact CB-CD1 4.43Å; H60-I62 HydrophobicContact CB-CG1 4.15Å; H60-I71 HydrophobicContact CB-CD1 4.01Å; H60-V89 CarbonylContact O-C 3.51Å; H60-V89 WeakPolarHBondContact O-CA 3.41Å; H60-V90 HydrophobicContact CB-CB 4.49Å; H60-V90 PolarHBondContact N-O 3.22Å; H60-V90 PolarHBondContact O-N 2.88Å; H60-E92 IonicContact NE2-OE1 2.64Å; H60-E92 PolarHBondContact NE2-OE1 2.86Å; H60-E92 IonicContact NE2-OE2 3.73Å
61	V	88.9	Confident	81.8	Confident	94 Å²	94	63.7 Å²	63.7	57%	0.57	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	170.3	-174.7	0	0	0	0	107.8	Q87 V89	V61-Q87 HydrophobicContact CG1-CG 4.24Å; V61-V89 HydrophobicContact CG2-CG2 4.37Å
62	I	85.9	Confident	80.2	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.077	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132	-169.5	-49.3	170	0	0	0	109.8	H60 T64 A67 I71 Q87 T88 V90	H60-I62 HydrophobicContact CB-CD1 4.43Å; H60-I62 HydrophobicContact CB-CG1 4.15Å; I62-T64 WeakPolarHBondContact CG2-O 3.46Å; I62-A67 HydrophobicContact CG2-CB 3.41Å; I62-A67 VanDerWaalsContact CG2-CB 3.41Å; I62-I71 HydrophobicContact CD1-CD1 3.35Å; I62-I71 HydrophobicContact CD1-CG1 4.44Å; I62-I71 HydrophobicContact CG1-CD1 3.98Å; I62-Q87 WeakPolarHBondContact O-CA 3.4Å; I62-T88 PolarHBondContact N-O 2.78Å; I62-T88 PolarHBondContact O-N 2.98Å; I62-V90 HydrophobicContact CD1-CB 4.13Å; I62-V90 HydrophobicContact CD1-CG2 3.51Å
63	S	77.3	Confident	78.3	Confident	88 Å²	88	66.3 Å²	66.3	62%	0.615	39%	0.391	S	S	*	.	S	Bend	trans	-93.6	-11.8	-178.2	-44.1	0	0	0	0	114.5	N86	S63-N86 CarbonylContact C-O 3.53Å; S63-N86 WeakPolarHBondContact CA-O 3.33Å; S63-N86 CarbonylContact O-C 3.07Å; S63-N86 VanDerWaalsContact O-O 3.09Å
64	T	66.6	Low	76.9	Confident	71 Å²	71	73 Å²	73	44%	0.436	42%	0.42	S	S	.	.	S	Bend	trans	-127.5	137.4	-176.8	61.6	0	0	0	0	112.9	I62 Q66 A67 S68	I62-T64 WeakPolarHBondContact CG2-O 3.46Å; T64-Q66 VanDerWaalsContact C-N 3.27Å; T64-Q66 PolarHBondContact O-N 2.89Å; T64-A67 PolarHBondContact O-N 3.34Å; T64-A67 WeakPolarHBondContact OG1-CB 3.27Å; T64-S68 PolarHBondContact O-N 2.91Å
65	P	65.7	Low	75.8	Confident	86 Å²	86	74 Å²	74	56%	0.558	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-31.5	179.2	-24.9	33.2	0	0	0	114.4	S68 K69	P65-S68 PolarHBondContact O-N 3.39Å; P65-K69 PolarHBondContact O-N 2.89Å
66	Q	63.2	Low	75.4	Confident	158 Å²	158	73.4 Å²	73.4	74%	0.738	43%	0.434	S	S	*	.	H	α-helix	trans	-66.7	-37.4	179.1	-65.7	121.3	-16.2	0	0	112.1	T64 K69 A70	T64-Q66 VanDerWaalsContact C-N 3.27Å; T64-Q66 PolarHBondContact O-N 2.89Å; Q66-K69 PolarHBondContact O-N 3.42Å; Q66-A70 PolarHBondContact O-N 3.23Å
67	A	63.9	Low	75.4	Confident	35 Å²	35	71.3 Å²	71.3	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-72.1	-29.1	178	0	0	0	0	0	112.6	I62 T64 A70 I71	I62-A67 HydrophobicContact CG2-CB 3.41Å; I62-A67 VanDerWaalsContact CG2-CB 3.41Å; T64-A67 PolarHBondContact O-N 3.34Å; T64-A67 WeakPolarHBondContact OG1-CB 3.27Å; A67-A70 PolarHBondContact O-N 3.26Å; A67-I71 PolarHBondContact O-N 3.43Å
68	S	64.4	Low	75.5	Confident	19 Å²	19	68.8 Å²	68.8	13%	0.133	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-44.1	172.1	169.6	0	0	0	0	112	T64 P65 A70 I71 S72	T64-S68 PolarHBondContact O-N 2.91Å; P65-S68 PolarHBondContact O-N 3.39Å; S68-A70 VanDerWaalsContact C-N 3.33Å; S68-A70 PolarHBondContact O-N 2.95Å; S68-I71 PolarHBondContact O-N 3.21Å; S68-S72 PolarHBondContact O-N 2.83Å
69	K	65.4	Low	75.7	Confident	157 Å²	157	65.5 Å²	65.5	68%	0.683	38%	0.379	S	S	*	.	H	α-helix	trans	-62.2	-39.9	174.1	-69.9	-171	-179.9	-175.2	0	112.2	P65 Q66 I71 S72 C73	P65-K69 PolarHBondContact O-N 2.89Å; Q66-K69 PolarHBondContact O-N 3.42Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 2.71Å; K69-S72 PolarHBondContact O-N 3.13Å; K69-C73 PolarHBondContact O-N 3.13Å; K69-C73 PolarHBondContact O-SG 3Å
70	A	59.8	Low	75.8	Confident	59 Å²	59	61.8 Å²	61.8	49%	0.488	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-35.2	179.6	0	0	0	0	0	113.4	Q66 A67 S68	Q66-A70 PolarHBondContact O-N 3.23Å; A67-A70 PolarHBondContact O-N 3.26Å; S68-A70 VanDerWaalsContact C-N 3.33Å; S68-A70 PolarHBondContact O-N 2.95Å
71	I	63.9	Low	76	Confident	30 Å²	30	59.4 Å²	59.4	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-72.9	-42.3	177.2	-71.9	165.7	0	0	0	111	H60 I62 A67 S68 K69 C73 K74 V90 E92	H60-I71 HydrophobicContact CB-CD1 4.01Å; I62-I71 HydrophobicContact CD1-CD1 3.35Å; I62-I71 HydrophobicContact CD1-CG1 4.44Å; I62-I71 HydrophobicContact CG1-CD1 3.98Å; A67-I71 PolarHBondContact O-N 3.43Å; S68-I71 PolarHBondContact O-N 3.21Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 2.71Å; I71-C73 PolarHBondContact O-N 2.88Å; I71-K74 PolarHBondContact O-N 3.14Å; I71-V90 HydrophobicContact CG2-CG1 3.87Å; I71-E92 HydrophobicContact CG2-CG 4.35Å
72	S	63.5	Low	76.1	Confident	19 Å²	19	55.7 Å²	55.7	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-25.8	176	179.1	0	0	0	0	113.2	S68 K69 K74	S68-S72 PolarHBondContact O-N 2.83Å; K69-S72 PolarHBondContact O-N 3.13Å; S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.91Å
73	C	58.3	Low	76.2	Confident	108 Å²	108	58.1 Å²	58.1	73%	0.73	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.3	-178.3	-72.6	0	0	0	0	115.6	K69 I71 G75	K69-C73 PolarHBondContact O-N 3.13Å; K69-C73 PolarHBondContact O-SG 3Å; I71-C73 PolarHBondContact O-N 2.88Å; C73-G75 PolarHBondContact O-N 3.21Å; C73-G75 VanDerWaalsContact O-N 3.1Å
74	K	69.1	Low	76.6	Confident	140 Å²	140	56.2 Å²	56.2	61%	0.609	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	7.4	-178.4	-69.1	-175.5	-178.9	174.2	0	114.9	I71 S72 Q76	I71-K74 PolarHBondContact O-N 3.14Å; S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.91Å; K74-Q76 PolarHBondContact O-N 3.42Å
75	G	75.3	Confident	77.1	Confident	44 Å²	44	62.4 Å²	62.4	45%	0.454	34%	0.338	S	S	.	.	S	Bend	trans	77.1	-1	178	0	0	0	0	0	115.1	C73 K164	C73-G75 PolarHBondContact O-N 3.21Å; C73-G75 VanDerWaalsContact O-N 3.1Å; G75-K164 WeakPolarHBondContact O-CD 3.35Å; G75-K164 PolarHBondContact O-NZ 2.84Å
76	Q	88.2	Confident	78	Confident	79 Å²	79	64 Å²	64	37%	0.369	34%	0.342	S	S	.	.	S	Bend	trans	-86.2	163.9	169.9	-66.6	-170.4	-22.2	0	0	111.2	K74	K74-Q76 PolarHBondContact O-N 3.42Å
77	H	95.9	Very high	79.1	Confident	39 Å²	39	60.4 Å²	60.4	18%	0.181	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	153.2	171.7	-69.6	85.8	0	0	0	110	V54 Y93 F160 K164	V54-H77 HydrophobicContact CG1-CB 4.36Å; V54-H77 WeakPolarHBondContact CG1-ND1 3.41Å; H77-Y93 PolarHBondContact N-O 2.76Å; H77-Y93 PolarHBondContact O-N 3.39Å; H77-F160 HydrophobicContact CB-CD1 4.07Å; H77-F160 HydrophobicContact CB-CE1 3.81Å; H77-F160 HydrophobicContact CB-CE2 4.47Å; H77-F160 HydrophobicContact CB-CZ 4.03Å; H77-F160 AromaticContact CD2-CD1 3.81Å; H77-F160 AromaticContact CD2-CD2 3.62Å; H77-F160 AromaticContact CD2-CG 3.44Å; H77-F160 VanDerWaalsContact CD2-CG 3.44Å; H77-F160 WeakPolarHBondContact CD2-CG 3.43Å; H77-K164 CarbonylContact C-O 3.44Å; H77-K164 WeakPolarHBondContact CA-O 3.05Å; H77-K164 HydrophobicContact CB-CB 4.46Å
78	S	95.8	Very high	80.4	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.4	176.9	61.1	0	0	0	0	113.4	V91 F160 K164 N165 I166	S78-V91 CarbonylContact C-O 3.55Å; S78-V91 VanDerWaalsContact CA-O 3.25Å; S78-V91 WeakPolarHBondContact CA-O 3.48Å; S78-F160 WeakPolarHBondContact O-CE1 3.38Å; S78-K164 PolarHBondContact N-O 3.01Å; S78-N165 CarbonylContact O-C 3.56Å; S78-N165 VanDerWaalsContact O-CA 3.27Å; S78-N165 WeakPolarHBondContact O-CA 3.42Å; S78-N165 PolarHBondContact O-OD1 3.42Å; S78-N165 PolarHBondContact OG-OD1 2.87Å; S78-I166 PolarHBondContact O-N 2.96Å
79	I	96.2	Very high	81.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.4	168	-52.1	-169.5	0	0	0	108.6	Y81 V90 V91 Y93 F160 I166 L168 V213	I79-Y81 HydrophobicContact CB-CE2 3.97Å; I79-Y81 HydrophobicContact CG2-CD2 4.16Å; I79-Y81 HydrophobicContact CG2-CE1 4.04Å; I79-Y81 HydrophobicContact CG2-CE2 3.54Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.47Å; I79-V90 WeakPolarHBondContact O-CA 3.43Å; I79-V91 PolarHBondContact N-O 2.78Å; I79-V91 PolarHBondContact O-N 3.4Å; I79-Y93 HydrophobicContact CB-CE2 4.21Å; I79-Y93 HydrophobicContact CD1-CD2 4.37Å; I79-Y93 HydrophobicContact CD1-CE1 4.45Å; I79-Y93 HydrophobicContact CD1-CE2 3.47Å; I79-Y93 VanDerWaalsContact CD1-CE2 3.47Å; I79-Y93 VanDerWaalsContact CD1-OH 3.31Å; I79-Y93 WeakPolarHBondContact CD1-OH 3.24Å; I79-Y93 HydrophobicContact CG1-CD2 3.96Å; I79-Y93 HydrophobicContact CG1-CE2 3.45Å; I79-Y93 VanDerWaalsContact CG1-CE2 3.45Å; I79-F160 HydrophobicContact CG1-CE1 3.99Å; I79-F160 HydrophobicContact CG1-CZ 4.48Å; I79-I166 WeakPolarHBondContact CA-O 3.31Å; I79-I166 HydrophobicContact CB-CB 4.42Å; I79-I166 HydrophobicContact CD1-CD1 3.88Å; I79-I166 HydrophobicContact CG1-CB 4.06Å; I79-I166 HydrophobicContact CG1-CD1 4.1Å; I79-I166 HydrophobicContact CG2-CB 4.1Å; I79-I166 HydrophobicContact CG2-CG2 4.13Å; I79-L168 HydrophobicContact CG2-CD1 3.52Å; I79-V213 HydrophobicContact CD1-CG1 3.51Å; I79-V213 HydrophobicContact CG2-CG1 4.13Å
80	S	94.7	Very high	83	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.2	-178.2	-62.6	0	0	0	0	110.5	N165 I166 L168	S80-N165 PolarHBondContact OG-OD1 2.91Å; S80-I166 PolarHBondContact N-O 2.99Å; S80-L168 PolarHBondContact O-N 2.85Å
81	Y	94.6	Very high	84.7	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.8	176	-58.7	-86.7	0	0	0	109.8	I79 L83 T88 V89 V91 L168 K174 M182 C214	I79-Y81 HydrophobicContact CB-CE2 3.97Å; I79-Y81 HydrophobicContact CG2-CD2 4.16Å; I79-Y81 HydrophobicContact CG2-CE1 4.04Å; I79-Y81 HydrophobicContact CG2-CE2 3.54Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.47Å; Y81-L83 PolarHBondContact O-N 2.92Å; Y81-T88 WeakPolarHBondContact O-CA 3.47Å; Y81-V89 PolarHBondContact N-O 3.35Å; Y81-V89 PolarHBondContact O-N 3.24Å; Y81-V91 HydrophobicContact CD2-CG2 4.18Å; Y81-V91 HydrophobicContact CE2-CB 4.44Å; Y81-V91 HydrophobicContact CE2-CG2 3.76Å; Y81-L168 HydrophobicContact CD1-CB 4.33Å; Y81-L168 HydrophobicContact CD1-CD1 4.1Å; Y81-L168 HydrophobicContact CD1-CD2 4.07Å; Y81-L168 HydrophobicContact CD1-CG 4.42Å; Y81-L168 HydrophobicContact CE1-CD1 3.94Å; Y81-L168 HydrophobicContact CE1-CD2 3.98Å; Y81-K174 HydrophobicContact CD1-CB 4.36Å; Y81-M182 HydrophobicContact CD2-CB 3.96Å; Y81-M182 HydrophobicContact CE2-CB 3.81Å; Y81-M182 HydrophobicContact CG-CB 4.36Å; Y81-M182 PolarHBondContact OH-O 2.75Å; Y81-C214 PolarHBondContact OH-SG 2.9Å; Y81-C214 VanDerWaalsContact OH-SG 3.39Å
82	T	91.3	Very high	86.2	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.3	177.1	-58.3	0	0	0	0	109.7	T88 F167 L168 E170 K174	T82-T88 PolarHBondContact OG1-OG1 2.87Å; T82-F167 WeakPolarHBondContact OG1-CE2 3.4Å; T82-L168 PolarHBondContact N-O 2.79Å; T82-E170 HydrophobicContact CG2-CG 3.74Å; T82-K174 WeakPolarHBondContact O-CD 3.27Å; T82-K174 WeakPolarHBondContact O-CE 3.27Å; T82-K174 PolarHBondContact O-NZ 3.18Å; T82-K174 VanDerWaalsContact O-NZ 3.14Å
83	L	87.2	Confident	87.7	Confident	66 Å²	66	48.4 Å²	48.4	35%	0.346	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-39.9	179.4	-53.6	-172.4	0	0	0	111.2	Y81 Q87 V89 K174 M182	Y81-L83 PolarHBondContact O-N 2.92Å; L83-Q87 HydrophobicContact CB-CB 4.42Å; L83-Q87 HydrophobicContact CD1-CG 4.23Å; L83-Q87 PolarHBondContact N-O 3.43Å; L83-V89 HydrophobicContact CD1-CG2 3.91Å; L83-V89 HydrophobicContact CG-CG2 4.32Å; L83-K174 HydrophobicContact CD2-CD 3.46Å; L83-K174 VanDerWaalsContact CD2-CD 3.46Å; L83-K174 HydrophobicContact CD2-CG 4.01Å; L83-M182 HydrophobicContact CD2-SD 4.47Å
84	S	85	Confident	89.5	Confident	48 Å²	48	45.5 Å²	45.5	34%	0.336	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	175.5	175.3	70.8	0	0	0	0	110.4	N86 Q87	S84-N86 PolarHBondContact O-N 3.45Å; S84-N86 PolarHBondContact OG-N 2.81Å; S84-Q87 PolarHBondContact N-O 2.97Å; S84-Q87 VanDerWaalsContact N-O 3.13Å; S84-Q87 PolarHBondContact O-N 2.83Å; S84-Q87 VanDerWaalsContact O-N 3.13Å; S84-Q87 VanDerWaalsContact O-O 3.09Å; S84-Q87 PolarHBondContact OG-N 2.71Å
85	R	78.4	Confident	90.9	Very high	201 Å²	201	43.9 Å²	43.9	76%	0.758	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-24.4	173.5	-65.8	-174.5	-176.5	-174.5	1.6	113.9	E170	R85-E170 WeakPolarHBondContact CG-OE1 3.46Å; R85-E170 PolarHBondContact N-OE1 2.85Å
86	N	83.8	Confident	92	Very high	119 Å²	119	42.7 Å²	42.7	64%	0.636	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.3	6.3	-173.4	-61.7	34.5	0	0	0	112.3	S63 S84	S63-N86 CarbonylContact C-O 3.53Å; S63-N86 WeakPolarHBondContact CA-O 3.33Å; S63-N86 CarbonylContact O-C 3.07Å; S63-N86 VanDerWaalsContact O-O 3.09Å; S84-N86 PolarHBondContact O-N 3.45Å; S84-N86 PolarHBondContact OG-N 2.81Å
87	Q	86.9	Confident	92.5	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	119.5	-179.6	-166.6	178.1	32.3	0	0	111.5	V61 I62 L83 S84	V61-Q87 HydrophobicContact CG1-CG 4.24Å; I62-Q87 WeakPolarHBondContact O-CA 3.4Å; L83-Q87 HydrophobicContact CB-CB 4.42Å; L83-Q87 HydrophobicContact CD1-CG 4.23Å; L83-Q87 PolarHBondContact N-O 3.43Å; S84-Q87 PolarHBondContact N-O 2.97Å; S84-Q87 VanDerWaalsContact N-O 3.13Å; S84-Q87 PolarHBondContact O-N 2.83Å; S84-Q87 VanDerWaalsContact O-N 3.13Å; S84-Q87 VanDerWaalsContact O-O 3.09Å; S84-Q87 PolarHBondContact OG-N 2.71Å
88	T	90.3	Very high	92.6	Very high	17 Å²	17	47.2 Å²	47.2	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.4	171.1	-65.2	0	0	0	0	109.1	I62 Y81 T82 V90	I62-T88 PolarHBondContact N-O 2.78Å; I62-T88 PolarHBondContact O-N 2.98Å; Y81-T88 WeakPolarHBondContact O-CA 3.47Å; T82-T88 PolarHBondContact OG1-OG1 2.87Å; T88-V90 HydrophobicContact CG2-CG2 3.93Å
89	V	92.4	Very high	92.7	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.4	169.7	-177.9	0	0	0	0	107.8	V59 H60 V61 Y81 L83 V91 M182	V59-V89 HydrophobicContact CG1-CG1 3.55Å; H60-V89 CarbonylContact O-C 3.51Å; H60-V89 WeakPolarHBondContact O-CA 3.41Å; V61-V89 HydrophobicContact CG2-CG2 4.37Å; Y81-V89 PolarHBondContact N-O 3.35Å; Y81-V89 PolarHBondContact O-N 3.24Å; L83-V89 HydrophobicContact CD1-CG2 3.91Å; L83-V89 HydrophobicContact CG-CG2 4.32Å; V89-V91 HydrophobicContact CG1-CG2 4.5Å; V89-M182 HydrophobicContact CG1-CG 4.06Å; V89-M182 HydrophobicContact CG2-SD 4.47Å
90	V	93.3	Very high	92.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.1	176.3	-178.1	0	0	0	0	108.4	H60 I62 I71 I79 T88	H60-V90 HydrophobicContact CB-CB 4.49Å; H60-V90 PolarHBondContact N-O 3.22Å; H60-V90 PolarHBondContact O-N 2.88Å; I62-V90 HydrophobicContact CD1-CB 4.13Å; I62-V90 HydrophobicContact CD1-CG2 3.51Å; I71-V90 HydrophobicContact CG2-CG1 3.87Å; I79-V90 WeakPolarHBondContact O-CA 3.43Å; T88-V90 HydrophobicContact CG2-CG2 3.93Å
91	V	95	Very high	93.1	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.8	173.7	-176.8	0	0	0	0	107.6	P56 V59 S78 I79 Y81 V89 Y93	P56-V91 HydrophobicContact CB-CG1 4.32Å; V59-V91 HydrophobicContact CG1-CG2 4.36Å; V59-V91 HydrophobicContact CG2-CG1 4.41Å; V59-V91 HydrophobicContact CG2-CG2 4.21Å; S78-V91 CarbonylContact C-O 3.55Å; S78-V91 VanDerWaalsContact CA-O 3.25Å; S78-V91 WeakPolarHBondContact CA-O 3.48Å; I79-V91 PolarHBondContact N-O 2.78Å; I79-V91 PolarHBondContact O-N 3.4Å; Y81-V91 HydrophobicContact CD2-CG2 4.18Å; Y81-V91 HydrophobicContact CE2-CB 4.44Å; Y81-V91 HydrophobicContact CE2-CG2 3.76Å; V89-V91 HydrophobicContact CG1-CG2 4.5Å; V91-Y93 HydrophobicContact CB-CE2 4.26Å; V91-Y93 HydrophobicContact CG1-CD2 4.23Å; V91-Y93 HydrophobicContact CG1-CE2 3.82Å
92	E	95.1	Very high	93.3	Very high	16 Å²	16	48.1 Å²	48.1	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	146.5	172.8	-70.6	-175.6	158.8	0	0	110.1	S57 T58 H60 I71	S57-E92 WeakPolarHBondContact CA-O 3.32Å; S57-E92 WeakPolarHBondContact CB-O 3.03Å; S57-E92 PolarHBondContact N-O 2.99Å; T58-E92 PolarHBondContact O-N 3.41Å; T58-E92 PolarHBondContact OG1-OE2 3.03Å; H60-E92 IonicContact NE2-OE1 2.64Å; H60-E92 PolarHBondContact NE2-OE1 2.86Å; H60-E92 IonicContact NE2-OE2 3.73Å; I71-E92 HydrophobicContact CG2-CG 4.35Å
93	Y	95.9	Very high	93.6	Very high	13 Å²	13	47.7 Å²	47.7	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.9	177.3	-87.6	-109.6	0	0	0	109	V54 K55 P56 H77 I79 V91 F160	V54-Y93 HydrophobicContact CB-CD1 4.23Å; V54-Y93 HydrophobicContact CG2-CD1 3.88Å; K55-Y93 VanDerWaalsContact C-CD1 3.45Å; K55-Y93 CarbonylContact O-C 3.47Å; K55-Y93 VanDerWaalsContact O-CA 3.26Å; K55-Y93 WeakPolarHBondContact O-CA 3.3Å; P56-Y93 HydrophobicContact CB-CE1 4.45Å; P56-Y93 HydrophobicContact CB-CE2 4.5Å; P56-Y93 HydrophobicContact CG-CE1 3.78Å; P56-Y93 HydrophobicContact CG-CE2 4.48Å; H77-Y93 PolarHBondContact N-O 2.76Å; H77-Y93 PolarHBondContact O-N 3.39Å; I79-Y93 HydrophobicContact CB-CE2 4.21Å; I79-Y93 HydrophobicContact CD1-CD2 4.37Å; I79-Y93 HydrophobicContact CD1-CE1 4.45Å; I79-Y93 HydrophobicContact CD1-CE2 3.47Å; I79-Y93 VanDerWaalsContact CD1-CE2 3.47Å; I79-Y93 VanDerWaalsContact CD1-OH 3.31Å; I79-Y93 WeakPolarHBondContact CD1-OH 3.24Å; I79-Y93 HydrophobicContact CG1-CD2 3.96Å; I79-Y93 HydrophobicContact CG1-CE2 3.45Å; I79-Y93 VanDerWaalsContact CG1-CE2 3.45Å; V91-Y93 HydrophobicContact CB-CE2 4.26Å; V91-Y93 HydrophobicContact CG1-CD2 4.23Å; V91-Y93 HydrophobicContact CG1-CE2 3.82Å; Y93-F160 HydrophobicContact CD1-CZ 4.16Å; Y93-F160 HydrophobicContact CG-CZ 4.18Å
94	T	96.1	Very high	94.2	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.294	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	165.2	-179.4	-165.7	0	0	0	0	111.1	V54 K55 D96	V54-T94 CarbonylContact C-O 3.55Å; V54-T94 WeakPolarHBondContact CA-O 3.41Å; V54-T94 WeakPolarHBondContact CB-O 3.16Å; K55-T94 HydrophobicContact CG-CG2 3.99Å; K55-T94 PolarHBondContact N-O 3.03Å; K55-T94 PolarHBondContact O-N 2.93Å; T94-D96 PolarHBondContact O-N 3.43Å
95	H	97.6	Very high	94.8	Very high	105 Å²	105	42.3 Å²	42.3	49%	0.486	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.5	178	-178.4	46	0	0	0	111.4	A51 G53	A51-H95 PolarHBondContact O-CE1 2.83Å; G53-H95 PolarHBondContact O-ND1 2.58Å
96	D	98.1	Very high	95.7	Very high	19 Å²	19	38 Å²	38	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117	169.7	-170.4	32.6	0	0	0	110.1	G53 K55 T94 D98 T99	G53-D96 PolarHBondContact O-N 3.35Å; K55-D96 HydrophobicContact CB-CB 4.28Å; K55-D96 HydrophobicContact CD-CB 4.1Å; K55-D96 HydrophobicContact CG-CB 4.13Å; K55-D96 IonicContact NZ-OD1 3.2Å; K55-D96 PolarHBondContact NZ-OD1 3.42Å; T94-D96 PolarHBondContact O-N 3.43Å; D96-D98 VanDerWaalsContact C-N 3.25Å; D96-D98 PolarHBondContact O-N 2.87Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.39Å; D96-T99 PolarHBondContact OD2-OG1 2.91Å
97	K	98.4	Very high	96.3	Very high	146 Å²	146	32.9 Å²	32.9	64%	0.635	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.3	-175.4	66.6	175.7	-174.9	174.9	0	112.7	A51 R147	A51-K97 WeakPolarHBondContact CB-O 3.36Å; K97-R147 WeakPolarHBondContact O-CD 3.36Å
98	D	98.7	Very high	96.7	Very high	67 Å²	67	34 Å²	34	36%	0.358	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.7	-169.8	-61.3	-50.5	0	0	0	112.5	D96 R147	D96-D98 VanDerWaalsContact C-N 3.25Å; D96-D98 PolarHBondContact O-N 2.87Å; D98-R147 WeakPolarHBondContact O-CB 3.49Å; D98-R147 PolarHBondContact O-N 2.99Å
99	T	98.8	Very high	97.1	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.5	-178.6	55.9	0	0	0	0	113.3	G53 D96 V144 C145 R147	G53-T99 WeakPolarHBondContact CA-O 3.26Å; G53-T99 WeakPolarHBondContact CA-OG1 3.37Å; G53-T99 PolarHBondContact N-O 2.8Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.39Å; D96-T99 PolarHBondContact OD2-OG1 2.91Å; T99-V144 HydrophobicContact CG2-CG1 3.9Å; T99-C145 CarbonylContact C-O 3.53Å; T99-C145 VanDerWaalsContact CA-O 3.26Å; T99-C145 WeakPolarHBondContact CA-O 3.14Å; T99-R147 WeakPolarHBondContact O-CD 3.37Å
100	D	98.9	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.4	165.6	-72.4	-31.2	0	0	0	109.6	Y19 K47 R48 A51 N52 F102 V144 C145 R147	Y19-D100 HydrophobicContact CE2-CB 3.98Å; Y19-D100 WeakPolarHBondContact CE2-OD2 3.23Å; Y19-D100 PolarHBondContact OH-OD2 2.86Å; K47-D100 WeakPolarHBondContact CA-OD2 3.4Å; R48-D100 HydrophobicContact CG-CB 4.35Å; R48-D100 PolarHBondContact N-OD2 2.86Å; A51-D100 WeakPolarHBondContact CA-OD1 3.37Å; N52-D100 WeakPolarHBondContact OD1-CA 3.49Å; D100-F102 HydrophobicContact CB-CE2 3.76Å; D100-F102 HydrophobicContact CB-CZ 4.14Å; D100-V144 CarbonylContact O-C 3.58Å; D100-V144 VanDerWaalsContact O-CA 3.3Å; D100-V144 WeakPolarHBondContact O-CA 3.48Å; D100-C145 PolarHBondContact N-O 2.68Å; D100-C145 PolarHBondContact O-N 2.99Å; D100-R147 HydrophobicContact CB-CG 4.49Å; D100-R147 WeakPolarHBondContact OD1-CD 3.4Å; D100-R147 IonicContact OD1-CZ 2.71Å; D100-R147 IonicContact OD1-NE 3.19Å; D100-R147 IonicContact OD1-NH1 2.84Å; D100-R147 PolarHBondContact OD1-NH1 2.81Å; D100-R147 IonicContact OD2-NH1 3.78Å; D100-R147 PolarHBondContact OD2-NH1 2.86Å
101	M	98.9	Very high	97.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138	177.5	-177.2	173.8	65.6	0	0	110.9	R48 N52 V54 Q103 R142 I143 V144 F160	R48-M101 PolarHBondContact NE-O 2.89Å; R48-M101 PolarHBondContact NH2-O 2.95Å; N52-M101 PolarHBondContact ND2-O 3.33Å; N52-M101 PolarHBondContact OD1-N 3.21Å; N52-M101 PolarHBondContact OD1-O 3.2Å; V54-M101 HydrophobicContact CG2-CE 4.25Å; V54-M101 HydrophobicContact CG2-SD 4.12Å; M101-Q103 HydrophobicContact CG-CG 4.5Å; M101-R142 HydrophobicContact CG-CB 4.24Å; M101-R142 HydrophobicContact CG-CG 4.13Å; M101-R142 HydrophobicContact SD-CB 4.36Å; M101-R142 WeakPolarHBondContact SD-CD 3.15Å; M101-R142 HydrophobicContact SD-CG 3.8Å; M101-I143 WeakPolarHBondContact CA-O 3.32Å; M101-V144 HydrophobicContact CB-CG2 4.46Å; M101-V144 HydrophobicContact CG-CG2 4.23Å; M101-F160 HydrophobicContact CE-CD2 3.74Å; M101-F160 HydrophobicContact CE-CE2 4.01Å; M101-F160 HydrophobicContact SD-CD2 3.9Å; M101-F160 HydrophobicContact SD-CE2 3.77Å
102	F	98.9	Very high	97.6	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133	174	-55.6	-94.2	0	0	0	109.3	Y19 F43 L45 Y46 R48 D100 D113 R142 I143	Y19-F102 AromaticContact CD2-CE2 3.94Å; Y19-F102 HydrophobicContact CD2-CE2 3.94Å; Y19-F102 HydrophobicContact CD2-CZ 4.17Å; Y19-F102 AromaticContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CZ 4.14Å; F43-F102 HydrophobicContact CE1-CB 4.42Å; F43-F102 HydrophobicContact CE1-CD1 4.11Å; F43-F102 HydrophobicContact CZ-CD1 4.12Å; L45-F102 HydrophobicContact CB-CD2 4.44Å; L45-F102 HydrophobicContact CB-CE1 4.43Å; L45-F102 HydrophobicContact CB-CE2 4.25Å; L45-F102 HydrophobicContact CB-CZ 4.25Å; L45-F102 HydrophobicContact CD2-CB 4.04Å; L45-F102 HydrophobicContact CD2-CD1 4.43Å; L45-F102 HydrophobicContact CD2-CD2 3.54Å; L45-F102 HydrophobicContact CD2-CE2 4.09Å; L45-F102 HydrophobicContact CD2-CG 3.74Å; L45-F102 HydrophobicContact CG-CB 4.44Å; L45-F102 HydrophobicContact CG-CD1 4.11Å; L45-F102 HydrophobicContact CG-CD2 4.03Å; L45-F102 HydrophobicContact CG-CE1 4.4Å; L45-F102 HydrophobicContact CG-CE2 4.33Å; L45-F102 HydrophobicContact CG-CG 3.92Å; Y46-F102 VanDerWaalsContact O-CZ 3.31Å; Y46-F102 WeakPolarHBondContact O-CZ 3.25Å; R48-F102 HydrophobicContact CG-CE1 4.32Å; R48-F102 HydrophobicContact CG-CZ 4.11Å; D100-F102 HydrophobicContact CB-CE2 3.76Å; D100-F102 HydrophobicContact CB-CZ 4.14Å; F102-D113 VanDerWaalsContact CA-OD2 3.22Å; F102-D113 WeakPolarHBondContact CA-OD2 3.12Å; F102-D113 HydrophobicContact CB-CB 4.49Å; F102-R142 CarbonylContact O-C 3.58Å; F102-R142 WeakPolarHBondContact O-CA 3.42Å; F102-I143 PolarHBondContact N-O 2.89Å; F102-I143 PolarHBondContact O-N 3.48Å
103	Q	98.8	Very high	97.7	Very high	7 Å²	7	42 Å²	42	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.1	-179	-46.4	-159	125	0	0	112.4	M101 P111 I112 D113 F114 C141 R142 G159 F160	M101-Q103 HydrophobicContact CG-CG 4.5Å; Q103-P111 WeakPolarHBondContact CB-O 3.44Å; Q103-P111 WeakPolarHBondContact CG-O 3.28Å; Q103-P111 PolarHBondContact NE2-O 3.36Å; Q103-I112 HydrophobicContact CB-CD1 4.08Å; Q103-D113 PolarHBondContact N-OD2 3.35Å; Q103-D113 PolarHBondContact O-N 3.4Å; Q103-F114 PolarHBondContact O-N 3.19Å; Q103-F114 VanDerWaalsContact O-N 3.14Å; Q103-C141 WeakPolarHBondContact CA-O 3.46Å; Q103-R142 HydrophobicContact CG-CG 4.07Å; Q103-G159 VanDerWaalsContact OE1-CA 3.32Å; Q103-F160 PolarHBondContact NE2-O 2.84Å
104	V	98.9	Very high	97.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.9	178.1	-168.5	0	0	0	0	109	L22 F114 V116 A140 C141 L248 L253	L22-V104 HydrophobicContact CD1-CG2 3.85Å; V104-F114 WeakPolarHBondContact CA-O 3.32Å; V104-F114 HydrophobicContact CG1-CB 4.34Å; V104-F114 HydrophobicContact CG1-CD1 3.98Å; V104-F114 HydrophobicContact CG1-CG 4.49Å; V104-F114 HydrophobicContact CG2-CB 4.27Å; V104-F114 HydrophobicContact CG2-CD1 4.41Å; V104-V116 HydrophobicContact CG1-CB 4.35Å; V104-V116 HydrophobicContact CG1-CG2 3.53Å; V104-A140 WeakPolarHBondContact O-CA 3.27Å; V104-A140 WeakPolarHBondContact O-CB 3.37Å; V104-A140 PolarHBondContact O-N 2.82Å; V104-C141 PolarHBondContact N-O 2.74Å; V104-C141 PolarHBondContact O-N 3.29Å; V104-L248 HydrophobicContact CB-CD1 4.39Å; V104-L248 HydrophobicContact CG1-CD1 3.71Å; V104-L253 HydrophobicContact CG1-CD1 4.02Å
105	G	98.3	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	176.2	176	0	0	0	0	0	112.3	F114 V115 V116 R138	G105-F114 PolarHBondContact N-O 2.9Å; G105-V115 WeakPolarHBondContact O-CA 3.16Å; G105-V116 PolarHBondContact O-N 2.64Å; G105-R138 CarbonylContact C-O 3.55Å; G105-R138 WeakPolarHBondContact CA-O 3.34Å
106	R	97	Very high	97.9	Very high	112 Å²	112	34.6 Å²	34.6	42%	0.423	18%	0.183	S	C	.	.	S	Bend	trans	-81.9	-13.1	179.2	78.2	172.1	-175.8	89.7	-4.1	114.6	V116 S134 I136 S137 R138	R106-V116 WeakPolarHBondContact CA-O 3.11Å; R106-V116 WeakPolarHBondContact CB-O 3.34Å; R106-S134 WeakPolarHBondContact CD-OG 3.49Å; R106-I136 HydrophobicContact CB-CB 4.31Å; R106-I136 HydrophobicContact CB-CG2 4.16Å; R106-I136 WeakPolarHBondContact CD-O 3.4Å; R106-I136 PolarHBondContact NE-O 3.08Å; R106-S137 PolarHBondContact N-O 3.42Å; R106-S137 VanDerWaalsContact N-O 3.1Å; R106-R138 HydrophobicContact CG-CG 4.36Å; R106-R138 PolarHBondContact N-O 2.74Å
107	S	96.8	Very high	97.7	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	19%	0.19	C	C	.	.			trans	-70.2	142.2	-180	-169.5	0	0	0	0	110.6	E109 I112 R138	S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 WeakPolarHBondContact OG-CB 3.26Å; S107-E109 WeakPolarHBondContact OG-CG 3.21Å; S107-E109 PolarHBondContact OG-N 2.95Å; S107-E109 PolarHBondContact OG-OE1 2.91Å; S107-I112 WeakPolarHBondContact O-CG1 3.43Å; S107-R138 VanDerWaalsContact CB-O 3.27Å; S107-R138 WeakPolarHBondContact CB-O 3.42Å; S107-R138 PolarHBondContact N-O 3.33Å
108	T	95.7	Very high	97.4	Very high	105 Å²	105	29.4 Å²	29.4	64%	0.644	16%	0.163	S	C	*	.			trans	-91.1	6.4	170.5	55.4	0	0	0	0	112.1	R38 V115	R38-T108 PolarHBondContact NH2-O 2.82Å; T108-V115 HydrophobicContact CG2-CG1 4.3Å
109	E	96.9	Very high	97	Very high	53 Å²	53	27.5 Å²	27.5	25%	0.248	15%	0.154	C	C	.	.	S	Bend	trans	-63.6	158.5	175.4	-71.7	167.8	-91.3	0	0	112	R38 S107 P111 I112 R138 F139 S162	R38-E109 PolarHBondContact NH1-O 2.82Å; S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 WeakPolarHBondContact OG-CB 3.26Å; S107-E109 WeakPolarHBondContact OG-CG 3.21Å; S107-E109 PolarHBondContact OG-N 2.95Å; S107-E109 PolarHBondContact OG-OE1 2.91Å; E109-P111 VanDerWaalsContact C-N 3.34Å; E109-I112 PolarHBondContact O-N 3.45Å; E109-R138 IonicContact OE1-CZ 3.8Å; E109-R138 IonicContact OE1-NE 3.35Å; E109-R138 IonicContact OE1-NH2 3.88Å; E109-R138 PolarHBondContact OE1-NH2 3.21Å; E109-R138 IonicContact OE2-NH2 2.85Å; E109-F139 HydrophobicContact CB-CE1 4.41Å; E109-F139 HydrophobicContact CB-CZ 4.37Å; E109-F139 VanDerWaalsContact OE1-CZ 3.3Å; E109-F139 WeakPolarHBondContact OE1-CZ 3.41Å; E109-S162 WeakPolarHBondContact OE2-CB 3.2Å; E109-S162 PolarHBondContact OE2-OG 2.91Å
110	S	95.9	Very high	96.2	Very high	104 Å²	104	29.3 Å²	29.3	73%	0.727	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29	-175	60	0	0	0	0	116	I112	S110-I112 PolarHBondContact O-N 3.37Å
111	P	97	Very high	95.2	Very high	30 Å²	30	31 Å²	31	20%	0.195	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.5	179	-21	34.1	0	0	0	114.6	Q103 E109 F139 F160	Q103-P111 WeakPolarHBondContact CB-O 3.44Å; Q103-P111 WeakPolarHBondContact CG-O 3.28Å; Q103-P111 PolarHBondContact NE2-O 3.36Å; E109-P111 VanDerWaalsContact C-N 3.34Å; P111-F139 HydrophobicContact CB-CD1 4.46Å; P111-F139 HydrophobicContact CB-CE1 4.12Å; P111-F139 HydrophobicContact CG-CE1 4.15Å; P111-F160 WeakPolarHBondContact CB-O 3.5Å
112	I	98.6	Very high	93.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.19	C	C	.	.			trans	-87.9	124	179.4	-63.6	-58.2	0	0	0	109.8	R38 Q103 S107 E109 S110 F114 V115 F139	R38-I112 WeakPolarHBondContact CD-O 3.27Å; R38-I112 PolarHBondContact NH1-O 3.19Å; Q103-I112 HydrophobicContact CB-CD1 4.08Å; S107-I112 WeakPolarHBondContact O-CG1 3.43Å; E109-I112 PolarHBondContact O-N 3.45Å; S110-I112 PolarHBondContact O-N 3.37Å; I112-F114 VanDerWaalsContact CG2-C 3.48Å; I112-F114 WeakPolarHBondContact CG2-O 3.46Å; I112-V115 HydrophobicContact CG2-CG2 3.78Å; I112-F139 HydrophobicContact CD1-CB 4.32Å; I112-F139 HydrophobicContact CD1-CD1 3.47Å; I112-F139 VanDerWaalsContact CD1-CD1 3.47Å; I112-F139 HydrophobicContact CD1-CE1 4.17Å; I112-F139 HydrophobicContact CD1-CG 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.87Å; I112-F139 HydrophobicContact CG1-CE1 4.06Å
113	D	98.6	Very high	91.4	Very high	34 Å²	34	36.9 Å²	36.9	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-85.2	-38	173.8	-63.1	-82.9	0	0	0	111.4	R38 F43 R48 F102 Q103	R38-D113 WeakPolarHBondContact CG-O 3.49Å; F43-D113 HydrophobicContact CE1-CB 4.13Å; F43-D113 HydrophobicContact CE2-CB 4.41Å; F43-D113 HydrophobicContact CZ-CB 3.67Å; R48-D113 IonicContact CZ-OD1 3.71Å; R48-D113 IonicContact NH1-OD1 3.19Å; R48-D113 IonicContact NH2-OD1 3.99Å; R48-D113 PolarHBondContact NH2-OD1 2.88Å; R48-D113 IonicContact NH2-OD2 2.74Å; R48-D113 PolarHBondContact NH2-OD2 3.44Å; F102-D113 VanDerWaalsContact CA-OD2 3.22Å; F102-D113 WeakPolarHBondContact CA-OD2 3.12Å; F102-D113 HydrophobicContact CB-CB 4.49Å; Q103-D113 PolarHBondContact N-OD2 3.35Å; Q103-D113 PolarHBondContact O-N 3.4Å
114	F	98.6	Very high	89.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	112.9	-178.4	-172.5	-147.6	0	0	0	112	L22 V24 K40 F43 Q103 V104 G105 I112 V116 L253	L22-F114 HydrophobicContact CB-CD1 4.31Å; L22-F114 HydrophobicContact CB-CE1 4.08Å; L22-F114 HydrophobicContact CD1-CD1 4.2Å; V24-F114 HydrophobicContact CG2-CE1 4Å; V24-F114 HydrophobicContact CG2-CZ 3.57Å; K40-F114 HydrophobicContact CB-CE2 4.22Å; K40-F114 WeakPolarHBondContact O-CE2 3.25Å; K40-F114 WeakPolarHBondContact O-CZ 3.45Å; F43-F114 HydrophobicContact CB-CB 4.16Å; F43-F114 HydrophobicContact CB-CD1 3.75Å; F43-F114 HydrophobicContact CB-CD2 3.53Å; F43-F114 HydrophobicContact CB-CE1 3.91Å; F43-F114 HydrophobicContact CB-CE2 3.69Å; F43-F114 HydrophobicContact CB-CG 3.55Å; F43-F114 HydrophobicContact CB-CZ 3.87Å; F43-F114 HydrophobicContact CD1-CB 3.71Å; F43-F114 HydrophobicContact CD1-CD1 4.32Å; F43-F114 HydrophobicContact CD1-CG 4.02Å; F43-F114 HydrophobicContact CD2-CB 4.22Å; F43-F114 HydrophobicContact CD2-CD2 4.28Å; F43-F114 HydrophobicContact CD2-CG 4.39Å; F43-F114 HydrophobicContact CE1-CB 4.16Å; F43-F114 HydrophobicContact CG-CB 3.76Å; F43-F114 HydrophobicContact CG-CD1 4.24Å; F43-F114 AromaticContact CG-CD2 3.93Å; F43-F114 HydrophobicContact CG-CD2 3.93Å; F43-F114 AromaticContact CG-CG 3.73Å; F43-F114 HydrophobicContact CG-CG 3.73Å; Q103-F114 PolarHBondContact O-N 3.19Å; Q103-F114 VanDerWaalsContact O-N 3.14Å; V104-F114 WeakPolarHBondContact CA-O 3.32Å; V104-F114 HydrophobicContact CG1-CB 4.34Å; V104-F114 HydrophobicContact CG1-CD1 3.98Å; V104-F114 HydrophobicContact CG1-CG 4.49Å; V104-F114 HydrophobicContact CG2-CB 4.27Å; V104-F114 HydrophobicContact CG2-CD1 4.41Å; G105-F114 PolarHBondContact N-O 2.9Å; I112-F114 VanDerWaalsContact CG2-C 3.48Å; I112-F114 WeakPolarHBondContact CG2-O 3.46Å; F114-V116 HydrophobicContact CD1-CG2 3.79Å; F114-V116 HydrophobicContact CE1-CG2 3.76Å; F114-V116 HydrophobicContact CG-CG2 4.26Å; F114-V116 HydrophobicContact CZ-CG2 4.19Å; F114-L253 HydrophobicContact CE1-CD1 4.47Å; F114-L253 HydrophobicContact CE1-CD2 4.32Å
115	V	98	Very high	86.7	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.8	-177.6	-178.3	0	0	0	0	109.6	R38 R39 G105 T108 I112	R38-V115 HydrophobicContact CB-CG2 3.81Å; R38-V115 PolarHBondContact O-N 2.79Å; R39-V115 HydrophobicContact CB-CB 4.28Å; G105-V115 WeakPolarHBondContact O-CA 3.16Å; T108-V115 HydrophobicContact CG2-CG1 4.3Å; I112-V115 HydrophobicContact CG2-CG2 3.78Å
116	V	96.1	Very high	84.1	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	29%	0.294	C	S	.	.			trans	-115.9	136.2	-179.8	-178.4	0	0	0	0	109.9	V104 G105 R106 F114 I136 A251 L253	V104-V116 HydrophobicContact CG1-CB 4.35Å; V104-V116 HydrophobicContact CG1-CG2 3.53Å; G105-V116 PolarHBondContact O-N 2.64Å; R106-V116 WeakPolarHBondContact CA-O 3.11Å; R106-V116 WeakPolarHBondContact CB-O 3.34Å; F114-V116 HydrophobicContact CD1-CG2 3.79Å; F114-V116 HydrophobicContact CE1-CG2 3.76Å; F114-V116 HydrophobicContact CG-CG2 4.26Å; F114-V116 HydrophobicContact CZ-CG2 4.19Å; V116-I136 HydrophobicContact CG1-CD1 4.02Å; V116-A251 HydrophobicContact CG1-CB 3.51Å; V116-L253 HydrophobicContact CG1-CD2 4.36Å; V116-L253 HydrophobicContact CG2-CD2 4.21Å
117	T	93.3	Very high	81.5	Confident	40 Å²	40	54.1 Å²	54.1	25%	0.245	32%	0.32	C	S	.	.			trans	-114.4	158.9	174	54.7	0	0	0	0	109.6	R39 T119 I136	R39-T117 PolarHBondContact NH2-OG1 3.13Å; T117-T119 PolarHBondContact O-N 2.72Å; T117-I136 VanDerWaalsContact C-CD1 3.43Å
118	D	92.5	Very high	78.9	Confident	16 Å²	16	62.1 Å²	62.1	9%	0.086	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-53.3	134.9	177.3	-58.2	-120.7	0	0	0	110.4	Y27 I120 I131 S134 T135 G250	Y27-D118 PolarHBondContact OH-O 3.1Å; D118-I120 PolarHBondContact O-N 2.87Å; D118-I131 HydrophobicContact CB-CD1 3.5Å; D118-I131 VanDerWaalsContact CB-CD1 3.5Å; D118-I131 HydrophobicContact CB-CG2 4.22Å; D118-S134 WeakPolarHBondContact OD2-CA 3.42Å; D118-S134 WeakPolarHBondContact OD2-CB 3.34Å; D118-S134 PolarHBondContact OD2-OG 2.95Å; D118-T135 PolarHBondContact OD1-N 3.3Å; D118-T135 PolarHBondContact OD1-OG1 3.29Å; D118-G250 CarbonylContact C-O 3.55Å; D118-G250 WeakPolarHBondContact CA-O 3.44Å
119	T	90.7	Very high	76.7	Confident	27 Å²	27	58.5 Å²	58.5	17%	0.166	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69.8	128.1	-179.7	-60.1	0	0	0	0	109.2	Y27 T117 G250 A401	Y27-T119 WeakPolarHBondContact OH-CA 3.17Å; T117-T119 PolarHBondContact O-N 2.72Å; T119-G250 PolarHBondContact N-O 3.42Å; T119-A401 HydrophobicContact CG2-CB 3.46Å; T119-A401 VanDerWaalsContact CG2-CB 3.46Å
120	I	82.6	Confident	74.6	Confident	48 Å²	48	63.9 Å²	63.9	25%	0.246	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-94.5	118.6	173.7	-58.5	167.7	0	0	0	106.3	D118 Q124 I131	D118-I120 PolarHBondContact O-N 2.87Å; I120-Q124 HydrophobicContact CG2-CB 4.35Å; I120-I131 HydrophobicContact CG1-CD1 3.65Å; I120-I131 HydrophobicContact CG1-CG1 4.21Å
121	S	77.8	Confident	73.1	Confident	37 Å²	37	62.4 Å²	62.4	26%	0.259	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-64	140.8	176.8	-63.3	0	0	0	0	110.6	T123 Q124 A401	S121-T123 PolarHBondContact O-N 3.33Å; S121-Q124 PolarHBondContact O-N 3.42Å; S121-A401 PolarHBondContact OG-O 3.21Å; S121-A401 VanDerWaalsContact OG-O 3.06Å
122	G	63.5	Low	71.5	Confident	35 Å²	35	67.1 Å²	67.1	36%	0.361	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-58.9	-18.1	-177.6	0	0	0	0	0	115.6	Q124 C400	G122-Q124 VanDerWaalsContact C-N 3.32Å; G122-C400 PolarHBondContact N-O 2.91Å
123	T	54.3	Low	70.5	Confident	103 Å²	103	74.9 Å²	74.9	63%	0.632	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-76.1	-17.1	172.8	43.5	0	0	0	0	113.7	S121 T402	S121-T123 PolarHBondContact O-N 3.33Å; T123-T402 HydrophobicContact CG2-CG2 3.79Å
124	Q	51.8	Low	70	Confident	112 Å²	112	75.4 Å²	75.4	52%	0.523	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-103.8	14.7	179.6	-60.4	-167.5	12.7	0	0	112.6	I120 S121 G122 T126 A129	I120-Q124 HydrophobicContact CG2-CB 4.35Å; S121-Q124 PolarHBondContact O-N 3.42Å; G122-Q124 VanDerWaalsContact C-N 3.32Å; Q124-T126 PolarHBondContact O-N 3.39Å; Q124-A129 HydrophobicContact CB-CB 3.89Å; Q124-A129 WeakPolarHBondContact O-CB 3.16Å
125	N	47.1	Very low	69.7	Low	85 Å²	85	78.6 Å²	78.6	46%	0.455	44%	0.436	S	S	.	.			trans	-76.6	36.1	179.4	-123.5	15	0	0	0	112.7
126	T	43.3	Very low	69.6	Low	102 Å²	102	78.4 Å²	78.4	63%	0.626	43%	0.434	S	S	*	.	S	Bend	trans	-85.2	141.4	160.4	45.8	0	0	0	0	107.7	Q124 E128 A129	Q124-T126 PolarHBondContact O-N 3.39Å; T126-E128 PolarHBondContact O-N 3.39Å; T126-A129 PolarHBondContact O-N 3.03Å; T126-A129 VanDerWaalsContact O-N 3.14Å
127	D	43.6	Very low	69.7	Low	182 Å²	182	80.2 Å²	80.2	97%	0.973	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-1.1	-173.5	-75.5	-41.5	0	0	0	116
128	E	40.8	Very low	69.9	Low	179 Å²	179	84.3 Å²	84.3	84%	0.836	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-4.8	-177.3	-66.4	-170.1	155.3	0	0	115.5	T126 Q130	T126-E128 PolarHBondContact O-N 3.39Å; E128-Q130 PolarHBondContact O-N 3.29Å
129	A	50.4	Low	70.1	Confident	30 Å²	30	84.8 Å²	84.8	25%	0.248	46%	0.46	C	S	.	.			trans	-77.8	62.9	177.2	0	0	0	0	0	111.9	Q124 T126 I131	Q124-A129 HydrophobicContact CB-CB 3.89Å; Q124-A129 WeakPolarHBondContact O-CB 3.16Å; T126-A129 PolarHBondContact O-N 3.03Å; T126-A129 VanDerWaalsContact O-N 3.14Å; A129-I131 PolarHBondContact O-N 3.36Å
130	Q	53.2	Low	70.5	Confident	166 Å²	166	83.7 Å²	83.7	78%	0.776	45%	0.453	S	S	*	.			trans	-74.6	111.8	174.8	-155.9	174.8	15	0	0	108.4	E128 T132	E128-Q130 PolarHBondContact O-N 3.29Å; Q130-T132 WeakPolarHBondContact O-CG2 3.06Å; Q130-T132 PolarHBondContact O-N 2.71Å
131	I	63	Low	71.3	Confident	73 Å²	73	81.5 Å²	81.5	37%	0.374	44%	0.442	S	S	.	.			trans	-62.2	101.7	170.3	-60.9	180	0	0	0	107.6	D118 I120 A129 Q133	D118-I131 HydrophobicContact CB-CD1 3.5Å; D118-I131 VanDerWaalsContact CB-CD1 3.5Å; D118-I131 HydrophobicContact CB-CG2 4.22Å; I120-I131 HydrophobicContact CG1-CD1 3.65Å; I120-I131 HydrophobicContact CG1-CG1 4.21Å; A129-I131 PolarHBondContact O-N 3.36Å; I131-Q133 VanDerWaalsContact C-N 3.34Å; I131-Q133 WeakPolarHBondContact CG2-O 3.44Å
132	T	63.1	Low	72.3	Confident	128 Å²	128	80 Å²	80	79%	0.785	43%	0.431	S	S	*	.			trans	-75.5	-24.4	-175.2	53.6	0	0	0	0	112.4	Q130	Q130-T132 WeakPolarHBondContact O-CG2 3.06Å; Q130-T132 PolarHBondContact O-N 2.71Å
133	Q	78.6	Confident	74	Confident	164 Å²	164	78.3 Å²	78.3	77%	0.766	41%	0.414	S	S	*	.	S	Bend	trans	-138	115	178.9	-64	-174.7	-0.5	0	0	110.9	I131	I131-Q133 VanDerWaalsContact C-N 3.34Å; I131-Q133 WeakPolarHBondContact CG2-O 3.44Å
134	S	88.2	Confident	76.1	Confident	45 Å²	45	74.3 Å²	74.3	32%	0.315	39%	0.389	S	S	.	.			trans	-80.2	133.5	175.9	174.7	0	0	0	0	110.9	R106 D118 I136	R106-S134 WeakPolarHBondContact CD-OG 3.49Å; D118-S134 WeakPolarHBondContact OD2-CA 3.42Å; D118-S134 WeakPolarHBondContact OD2-CB 3.34Å; D118-S134 PolarHBondContact OD2-OG 2.95Å; S134-I136 PolarHBondContact OG-N 2.99Å
135	T	92.5	Very high	78.4	Confident	67 Å²	67	69 Å²	69	41%	0.411	36%	0.364	S	S	.	.			trans	-95	-11.2	177	51.2	0	0	0	0	113.2	D118 N188 C249	D118-T135 PolarHBondContact OD1-N 3.3Å; D118-T135 PolarHBondContact OD1-OG1 3.29Å; T135-N188 PolarHBondContact O-ND2 2.68Å; T135-N188 VanDerWaalsContact O-ND2 3.13Å; T135-C249 CarbonylContact C-O 3.55Å; T135-C249 WeakPolarHBondContact CB-O 3.45Å; T135-C249 PolarHBondContact OG1-O 2.7Å
136	I	96.2	Very high	80.8	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	35%	0.351	C	S	.	.	S	Bend	trans	-71.5	135.3	177	-55.8	-178.8	0	0	0	110.2	R106 V116 T117 S134 A140 L248 C249 A251	R106-I136 HydrophobicContact CB-CB 4.31Å; R106-I136 HydrophobicContact CB-CG2 4.16Å; R106-I136 WeakPolarHBondContact CD-O 3.4Å; R106-I136 PolarHBondContact NE-O 3.08Å; V116-I136 HydrophobicContact CG1-CD1 4.02Å; T117-I136 VanDerWaalsContact C-CD1 3.43Å; S134-I136 PolarHBondContact OG-N 2.99Å; I136-A140 HydrophobicContact CG2-CB 4.39Å; I136-L248 HydrophobicContact CG2-CB 4.4Å; I136-C249 WeakPolarHBondContact CG1-O 3.49Å; I136-C249 PolarHBondContact N-O 3.13Å; I136-A251 HydrophobicContact CD1-CB 3.7Å
137	S	97	Very high	83.5	Confident	41 Å²	41	63.3 Å²	63.3	29%	0.287	33%	0.327	S	S	.	.			trans	-67.2	145.6	175.4	-72.2	0	0	0	0	111.9	R106 F139	R106-S137 PolarHBondContact N-O 3.42Å; R106-S137 VanDerWaalsContact N-O 3.1Å; S137-F139 PolarHBondContact O-N 2.96Å
138	R	97.4	Very high	86	Confident	126 Å²	126	59 Å²	59	48%	0.475	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-42.3	176	-78.4	175.4	66.2	-175.9	1.1	112.1	G105 R106 S107 E109	G105-R138 CarbonylContact C-O 3.55Å; G105-R138 WeakPolarHBondContact CA-O 3.34Å; R106-R138 HydrophobicContact CG-CG 4.36Å; R106-R138 PolarHBondContact N-O 2.74Å; S107-R138 VanDerWaalsContact CB-O 3.27Å; S107-R138 WeakPolarHBondContact CB-O 3.42Å; S107-R138 PolarHBondContact N-O 3.33Å; E109-R138 IonicContact OE1-CZ 3.8Å; E109-R138 IonicContact OE1-NE 3.35Å; E109-R138 IonicContact OE1-NH2 3.88Å; E109-R138 PolarHBondContact OE1-NH2 3.21Å; E109-R138 IonicContact OE2-NH2 2.85Å
139	F	98.3	Very high	88.7	Confident	27 Å²	27	58 Å²	58	12%	0.118	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	88.6	174.9	-49.3	-88	0	0	0	107.3	E109 P111 I112 S137 G159 F160 D161	E109-F139 HydrophobicContact CB-CE1 4.41Å; E109-F139 HydrophobicContact CB-CZ 4.37Å; E109-F139 VanDerWaalsContact OE1-CZ 3.3Å; E109-F139 WeakPolarHBondContact OE1-CZ 3.41Å; P111-F139 HydrophobicContact CB-CD1 4.46Å; P111-F139 HydrophobicContact CB-CE1 4.12Å; P111-F139 HydrophobicContact CG-CE1 4.15Å; I112-F139 HydrophobicContact CD1-CB 4.32Å; I112-F139 HydrophobicContact CD1-CD1 3.47Å; I112-F139 VanDerWaalsContact CD1-CD1 3.47Å; I112-F139 HydrophobicContact CD1-CE1 4.17Å; I112-F139 HydrophobicContact CD1-CG 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.87Å; I112-F139 HydrophobicContact CG1-CE1 4.06Å; S137-F139 PolarHBondContact O-N 2.96Å; F139-G159 WeakPolarHBondContact CB-O 3.38Å; F139-G159 PolarHBondContact O-N 2.81Å; F139-F160 WeakPolarHBondContact CD1-O 3.49Å; F139-D161 HydrophobicContact CD2-CB 3.9Å; F139-D161 HydrophobicContact CE1-CB 4.38Å; F139-D161 HydrophobicContact CE2-CB 3.48Å; F139-D161 VanDerWaalsContact CE2-CB 3.48Å; F139-D161 HydrophobicContact CZ-CB 3.76Å
140	A	98.6	Very high	90.9	Very high	4 Å²	4	62 Å²	62	3%	0.033	32%	0.323	C	S	.	.			trans	-83.8	-48.1	-162.2	0	0	0	0	0	113.3	V104 I136 A158 V190 L248	V104-A140 WeakPolarHBondContact O-CA 3.27Å; V104-A140 WeakPolarHBondContact O-CB 3.37Å; V104-A140 PolarHBondContact O-N 2.82Å; I136-A140 HydrophobicContact CG2-CB 4.39Å; A140-A158 VanDerWaalsContact O-CA 3.22Å; A140-A158 WeakPolarHBondContact O-CA 3.33Å; A140-A158 PolarHBondContact O-N 2.86Å; A140-V190 VanDerWaalsContact O-CG2 3.3Å; A140-V190 WeakPolarHBondContact O-CG2 3.31Å; A140-L248 HydrophobicContact CB-CD1 4.26Å; A140-L248 HydrophobicContact CB-CD2 4.16Å
141	C	98.9	Very high	93	Very high	1 Å²	1	57 Å²	57	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.7	179.3	70.7	0	0	0	0	112.1	Q103 V104 I155 F156 A158 V190 L248	Q103-C141 WeakPolarHBondContact CA-O 3.46Å; V104-C141 PolarHBondContact N-O 2.74Å; V104-C141 PolarHBondContact O-N 3.29Å; C141-I155 HydrophobicContact CB-CD1 4.34Å; C141-I155 HydrophobicContact CB-CG1 4.34Å; C141-F156 VanDerWaalsContact CA-O 3.31Å; C141-F156 WeakPolarHBondContact CA-O 3.42Å; C141-F156 VanDerWaalsContact CB-O 3.31Å; C141-F156 WeakPolarHBondContact CB-O 3.32Å; C141-A158 CarbonylContact C-O 3.56Å; C141-V190 HydrophobicContact CB-CG1 4.27Å; C141-V190 HydrophobicContact CB-CG2 4.11Å; C141-L248 HydrophobicContact CB-CD2 4.24Å
142	R	98.9	Very high	94.7	Very high	6 Å²	6	55 Å²	55	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	170.6	-69.3	161	-69.6	151.3	2.4	109.2	M101 F102 Q103 V144 I155 F156 A157 A158 V213	M101-R142 HydrophobicContact CG-CB 4.24Å; M101-R142 HydrophobicContact CG-CG 4.13Å; M101-R142 HydrophobicContact SD-CB 4.36Å; M101-R142 WeakPolarHBondContact SD-CD 3.15Å; M101-R142 HydrophobicContact SD-CG 3.8Å; F102-R142 CarbonylContact O-C 3.58Å; F102-R142 WeakPolarHBondContact O-CA 3.42Å; Q103-R142 HydrophobicContact CG-CG 4.07Å; R142-V144 HydrophobicContact CB-CG2 4.41Å; R142-I155 WeakPolarHBondContact O-CA 3.42Å; R142-F156 HydrophobicContact CB-CB 4.39Å; R142-F156 PolarHBondContact N-O 3.23Å; R142-F156 PolarHBondContact O-N 2.94Å; R142-A157 PolarHBondContact NH2-O 2.6Å; R142-A158 WeakPolarHBondContact CG-O 3.39Å; R142-A158 PolarHBondContact N-O 2.94Å; R142-A158 PolarHBondContact NE-O 2.97Å; R142-V213 PolarHBondContact NH2-O 2.87Å
143	I	98.9	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.4	161.9	-50.9	-48.8	0	0	0	107.1	L22 L45 M101 F102 A153 R154 I155 L240 I246	L22-I143 HydrophobicContact CD1-CG1 4.17Å; L45-I143 HydrophobicContact CD2-CB 3.97Å; L45-I143 HydrophobicContact CD2-CG2 3.71Å; M101-I143 WeakPolarHBondContact CA-O 3.32Å; F102-I143 PolarHBondContact N-O 2.89Å; F102-I143 PolarHBondContact O-N 3.48Å; I143-A153 HydrophobicContact CG2-CB 4.3Å; I143-R154 CarbonylContact C-O 3.55Å; I143-R154 WeakPolarHBondContact CA-O 3.42Å; I143-I155 HydrophobicContact CD1-CB 3.9Å; I143-I155 HydrophobicContact CD1-CD1 3.86Å; I143-I155 HydrophobicContact CD1-CG1 3.77Å; I143-L240 HydrophobicContact CD1-CD1 3.81Å; I143-L240 HydrophobicContact CG2-CD1 4.23Å; I143-I246 HydrophobicContact CD1-CD1 4.36Å
144	V	98.9	Very high	97.4	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.5	179.7	-177.3	0	0	0	0	108.1	T99 D100 M101 R142 R154 F156	T99-V144 HydrophobicContact CG2-CG1 3.9Å; D100-V144 CarbonylContact O-C 3.58Å; D100-V144 VanDerWaalsContact O-CA 3.3Å; D100-V144 WeakPolarHBondContact O-CA 3.48Å; M101-V144 HydrophobicContact CB-CG2 4.46Å; M101-V144 HydrophobicContact CG-CG2 4.23Å; R142-V144 HydrophobicContact CB-CG2 4.41Å; V144-R154 PolarHBondContact N-O 2.93Å; V144-R154 PolarHBondContact O-N 3.37Å; V144-F156 HydrophobicContact CB-CD2 4.31Å; V144-F156 HydrophobicContact CB-CE2 3.92Å; V144-F156 HydrophobicContact CG2-CD2 3.78Å; V144-F156 HydrophobicContact CG2-CE2 3.8Å
145	C	98.9	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.9	-178.6	-57.7	0	0	0	0	110.5	Y19 T99 D100 R147 T152	Y19-C145 HydrophobicContact CD1-CB 3.93Å; Y19-C145 HydrophobicContact CD2-CB 3.55Å; Y19-C145 HydrophobicContact CE1-CB 4.08Å; Y19-C145 HydrophobicContact CE2-CB 3.71Å; Y19-C145 HydrophobicContact CG-CB 3.65Å; T99-C145 CarbonylContact C-O 3.53Å; T99-C145 VanDerWaalsContact CA-O 3.26Å; T99-C145 WeakPolarHBondContact CA-O 3.14Å; D100-C145 PolarHBondContact N-O 2.68Å; D100-C145 PolarHBondContact O-N 2.99Å; C145-R147 PolarHBondContact O-N 3.47Å; C145-T152 WeakPolarHBondContact CA-O 3.35Å
146	D	98.8	Very high	98.2	Very high	36 Å²	36	41.3 Å²	41.3	19%	0.193	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133	169.6	-61.3	-19.7	0	0	0	109	Y19 N148 Y151 T152 R154	Y19-D146 WeakPolarHBondContact CE1-O 3.45Å; D146-N148 PolarHBondContact O-N 3.29Å; D146-Y151 WeakPolarHBondContact O-CA 3.5Å; D146-Y151 WeakPolarHBondContact O-CD1 3.37Å; D146-T152 PolarHBondContact N-O 3.48Å; D146-T152 WeakPolarHBondContact OD2-CB 3.22Å; D146-T152 PolarHBondContact OD2-OG1 2.57Å; D146-R154 VanDerWaalsContact CG-NH1 3.26Å; D146-R154 IonicContact OD1-NH1 2.72Å; D146-R154 PolarHBondContact OD1-NH1 3.17Å; D146-R154 IonicContact OD2-CZ 4Å; D146-R154 IonicContact OD2-NH1 3.32Å; D146-R154 PolarHBondContact OD2-NH1 2.67Å; D146-R154 IonicContact OD2-NH2 3.59Å
147	R	98.4	Very high	98.3	Very high	32 Å²	32	41.1 Å²	41.1	12%	0.121	20%	0.202	C	C	.	.	S	Bend	trans	-79.6	-8.9	-178.7	-72.2	175.4	60.8	78	2	113.4	Y19 K47 R48 K97 D98 T99 D100 C145 Y151	Y19-R147 WeakPolarHBondContact OH-CG 3.33Å; K47-R147 WeakPolarHBondContact CE-O 3.43Å; K47-R147 PolarHBondContact NZ-O 3.19Å; R48-R147 PolarHBondContact O-NH1 3.43Å; R48-R147 PolarHBondContact O-NH2 2.82Å; K97-R147 WeakPolarHBondContact O-CD 3.36Å; D98-R147 WeakPolarHBondContact O-CB 3.49Å; D98-R147 PolarHBondContact O-N 2.99Å; T99-R147 WeakPolarHBondContact O-CD 3.37Å; D100-R147 HydrophobicContact CB-CG 4.49Å; D100-R147 WeakPolarHBondContact OD1-CD 3.4Å; D100-R147 IonicContact OD1-CZ 2.71Å; D100-R147 IonicContact OD1-NE 3.19Å; D100-R147 IonicContact OD1-NH1 2.84Å; D100-R147 PolarHBondContact OD1-NH1 2.81Å; D100-R147 IonicContact OD2-NH1 3.78Å; D100-R147 PolarHBondContact OD2-NH1 2.86Å; C145-R147 PolarHBondContact O-N 3.47Å; R147-Y151 WeakPolarHBondContact O-CE1 3.49Å
148	N	97.6	Very high	98.4	Very high	92 Å²	92	39.5 Å²	39.5	49%	0.492	19%	0.191	S	C	.	.	S	Bend	trans	-120.6	156.6	-179.1	-56.8	-49.5	0	0	0	109.3	D146 Y151	D146-N148 PolarHBondContact O-N 3.29Å; N148-Y151 VanDerWaalsContact C-CE1 3.44Å; N148-Y151 WeakPolarHBondContact O-CA 3.29Å; N148-Y151 WeakPolarHBondContact O-CD1 3.3Å; N148-Y151 PolarHBondContact O-N 3.48Å
149	E	95.9	Very high	98.5	Very high	159 Å²	159	33.7 Å²	33.7	74%	0.743	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	139.3	177.7	-73.2	178.4	-173.3	0	0	111.2	Y151	E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 HydrophobicContact CB-CE2 4.37Å; E149-Y151 HydrophobicContact CG-CD2 4.09Å; E149-Y151 HydrophobicContact CG-CE1 4.36Å; E149-Y151 HydrophobicContact CG-CE2 3.38Å
150	P	97.3	Very high	98.4	Very high	113 Å²	113	32.5 Å²	32.5	73%	0.734	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.7	18	7.8	36.8	-37	0	0	0	114.6	T152	P150-T152 PolarHBondContact O-N 3.31Å
151	Y	98.2	Very high	98.3	Very high	62 Å²	62	34.4 Å²	34.4	24%	0.243	18%	0.175	C	C	.	.			trans	61.4	36.7	178.3	-47.2	-67.9	0	0	0	115	V17 Y19 D146 R147 N148 E149 A153	V17-Y151 HydrophobicContact CG1-CD1 4.36Å; V17-Y151 HydrophobicContact CG1-CD2 4.3Å; V17-Y151 HydrophobicContact CG1-CE1 4.07Å; V17-Y151 HydrophobicContact CG1-CE2 3.98Å; V17-Y151 HydrophobicContact CG1-CG 4.46Å; Y19-Y151 HydrophobicContact CD1-CD1 4.38Å; Y19-Y151 HydrophobicContact CD1-CG 4.31Å; Y19-Y151 AromaticContact CE1-CD1 3.9Å; Y19-Y151 HydrophobicContact CE1-CD1 3.9Å; Y19-Y151 HydrophobicContact CE1-CG 4.29Å; D146-Y151 WeakPolarHBondContact O-CA 3.5Å; D146-Y151 WeakPolarHBondContact O-CD1 3.37Å; R147-Y151 WeakPolarHBondContact O-CE1 3.49Å; N148-Y151 VanDerWaalsContact C-CE1 3.44Å; N148-Y151 WeakPolarHBondContact O-CA 3.29Å; N148-Y151 WeakPolarHBondContact O-CD1 3.3Å; N148-Y151 PolarHBondContact O-N 3.48Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 HydrophobicContact CB-CE2 4.37Å; E149-Y151 HydrophobicContact CG-CD2 4.09Å; E149-Y151 HydrophobicContact CG-CE1 4.36Å; E149-Y151 HydrophobicContact CG-CE2 3.38Å; Y151-A153 PolarHBondContact O-N 3.1Å
152	T	98.8	Very high	98.1	Very high	30 Å²	30	37.3 Å²	37.3	18%	0.184	20%	0.196	C	C	.	.			trans	-50.4	127.5	-178.3	-36	0	0	0	0	111.8	C145 D146 P150 V239	C145-T152 WeakPolarHBondContact CA-O 3.35Å; D146-T152 PolarHBondContact N-O 3.48Å; D146-T152 WeakPolarHBondContact OD2-CB 3.22Å; D146-T152 PolarHBondContact OD2-OG1 2.57Å; P150-T152 PolarHBondContact O-N 3.31Å; T152-V239 HydrophobicContact CG2-CB 4.33Å; T152-V239 HydrophobicContact CG2-CG1 3.49Å; T152-V239 VanDerWaalsContact CG2-CG1 3.49Å; T152-V239 HydrophobicContact CG2-CG2 3.92Å
153	A	98.9	Very high	97.8	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.8	171.7	0	0	0	0	0	110.2	I143 Y151 V239 L240 W255	I143-A153 HydrophobicContact CG2-CB 4.3Å; Y151-A153 PolarHBondContact O-N 3.1Å; A153-V239 WeakPolarHBondContact O-CA 3.31Å; A153-L240 HydrophobicContact CB-CB 4.36Å; A153-L240 PolarHBondContact O-N 2.91Å; A153-W255 HydrophobicContact CB-CH2 3.91Å; A153-W255 HydrophobicContact CB-CZ2 3.44Å; A153-W255 VanDerWaalsContact CB-CZ2 3.44Å
154	R	98.9	Very high	97.7	Very high	72 Å²	72	44.8 Å²	44.8	27%	0.272	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.1	176.9	-67.6	179.4	-171	79.7	1	110.6	I143 V144 D146 F156 N238 V239	I143-R154 CarbonylContact C-O 3.55Å; I143-R154 WeakPolarHBondContact CA-O 3.42Å; V144-R154 PolarHBondContact N-O 2.93Å; V144-R154 PolarHBondContact O-N 3.37Å; D146-R154 VanDerWaalsContact CG-NH1 3.26Å; D146-R154 IonicContact OD1-NH1 2.72Å; D146-R154 PolarHBondContact OD1-NH1 3.17Å; D146-R154 IonicContact OD2-CZ 4Å; D146-R154 IonicContact OD2-NH1 3.32Å; D146-R154 PolarHBondContact OD2-NH1 2.67Å; D146-R154 IonicContact OD2-NH2 3.59Å; R154-F156 HydrophobicContact CB-CE2 3.8Å; R154-F156 HydrophobicContact CB-CZ 4.37Å; R154-N238 VanDerWaalsContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CA-O 3.37Å; R154-V239 HydrophobicContact CG-CG2 3.93Å
155	I	98.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.8	177.4	-175.7	165.9	0	0	0	111.8	C141 R142 I143 V190 V192 I211 N238 L240 I246	C141-I155 HydrophobicContact CB-CD1 4.34Å; C141-I155 HydrophobicContact CB-CG1 4.34Å; R142-I155 WeakPolarHBondContact O-CA 3.42Å; I143-I155 HydrophobicContact CD1-CB 3.9Å; I143-I155 HydrophobicContact CD1-CD1 3.86Å; I143-I155 HydrophobicContact CD1-CG1 3.77Å; I155-V190 HydrophobicContact CD1-CG1 3.9Å; I155-V192 HydrophobicContact CD1-CG2 4.05Å; I155-V192 HydrophobicContact CG2-CG2 3.87Å; I155-I211 HydrophobicContact CG2-CG1 4.16Å; I155-I211 HydrophobicContact CG2-CG2 4.45Å; I155-I211 WeakPolarHBondContact O-CG2 3.41Å; I155-N238 HydrophobicContact CG2-CB 4.33Å; I155-N238 PolarHBondContact N-O 2.79Å; I155-N238 VanDerWaalsContact O-CB 3.32Å; I155-N238 WeakPolarHBondContact O-CB 3.26Å; I155-N238 PolarHBondContact O-ND2 3.02Å; I155-L240 HydrophobicContact CB-CD1 4.23Å; I155-L240 HydrophobicContact CB-CD2 4.21Å; I155-L240 HydrophobicContact CB-CG 4.18Å; I155-L240 HydrophobicContact CG2-CD2 3.82Å; I155-L240 HydrophobicContact CG2-CG 4.13Å; I155-I246 HydrophobicContact CD1-CB 4.3Å; I155-I246 HydrophobicContact CD1-CD1 3.86Å; I155-I246 HydrophobicContact CD1-CG1 3.83Å; I155-I246 HydrophobicContact CD1-CG2 3.46Å; I155-I246 VanDerWaalsContact CD1-CG2 3.46Å
156	F	98.9	Very high	97.4	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.171	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.9	174.7	-59.9	-100.6	0	0	0	109.2	C141 R142 V144 R154 C214 N238	C141-F156 VanDerWaalsContact CA-O 3.31Å; C141-F156 WeakPolarHBondContact CA-O 3.42Å; C141-F156 VanDerWaalsContact CB-O 3.31Å; C141-F156 WeakPolarHBondContact CB-O 3.32Å; R142-F156 HydrophobicContact CB-CB 4.39Å; R142-F156 PolarHBondContact N-O 3.23Å; R142-F156 PolarHBondContact O-N 2.94Å; V144-F156 HydrophobicContact CB-CD2 4.31Å; V144-F156 HydrophobicContact CB-CE2 3.92Å; V144-F156 HydrophobicContact CG2-CD2 3.78Å; V144-F156 HydrophobicContact CG2-CE2 3.8Å; R154-F156 HydrophobicContact CB-CE2 3.8Å; R154-F156 HydrophobicContact CB-CZ 4.37Å; F156-C214 VanDerWaalsContact CE1-O 3.26Å; F156-C214 WeakPolarHBondContact CE1-O 3.44Å; F156-N238 WeakPolarHBondContact CZ-ND2 3.3Å
157	A	98.8	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	154.1	173.8	0	0	0	0	0	111.5	R142 T186 V190 I211 S212 V213	R142-A157 PolarHBondContact NH2-O 2.6Å; A157-T186 HydrophobicContact CB-CG2 4.1Å; A157-V190 HydrophobicContact CB-CB 4.07Å; A157-V190 HydrophobicContact CB-CG2 3.92Å; A157-I211 VanDerWaalsContact CB-O 3.25Å; A157-I211 WeakPolarHBondContact CB-O 3.26Å; A157-S212 PolarHBondContact N-O 3.32Å; A157-V213 HydrophobicContact CB-CG2 4.32Å
158	A	98.6	Very high	97	Very high	7 Å²	7	48.3 Å²	48.3	6%	0.058	25%	0.252	C	S	.	.	S	Bend	trans	62.8	156.3	-171.8	0	0	0	0	0	114.7	A140 C141 R142 I166 T186 V213	A140-A158 VanDerWaalsContact O-CA 3.22Å; A140-A158 WeakPolarHBondContact O-CA 3.33Å; A140-A158 PolarHBondContact O-N 2.86Å; C141-A158 CarbonylContact C-O 3.56Å; R142-A158 WeakPolarHBondContact CG-O 3.39Å; R142-A158 PolarHBondContact N-O 2.94Å; R142-A158 PolarHBondContact NE-O 2.97Å; A158-I166 HydrophobicContact CB-CB 4.47Å; A158-I166 HydrophobicContact CB-CD1 4Å; A158-I166 HydrophobicContact CB-CG1 4.08Å; A158-I166 HydrophobicContact CB-CG2 3.53Å; A158-T186 HydrophobicContact CB-CG2 3.67Å; A158-V213 HydrophobicContact CB-CG2 4.25Å
159	G	98.3	Very high	96.6	Very high	5 Å²	5	44.8 Å²	44.8	5%	0.052	24%	0.238	C	C	.	.			trans	-123	154.4	164.9	0	0	0	0	0	111	Q103 F139 I166	Q103-G159 VanDerWaalsContact OE1-CA 3.32Å; F139-G159 WeakPolarHBondContact CB-O 3.38Å; F139-G159 PolarHBondContact O-N 2.81Å; G159-I166 WeakPolarHBondContact O-CG1 3.31Å
160	F	98.1	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.224	C	C	.	.			trans	-68.5	132.9	173.9	-60.4	-77.7	0	0	0	110.4	V54 H77 S78 I79 Y93 M101 Q103 P111 F139 K164 I166	V54-F160 HydrophobicContact CG2-CE2 3.65Å; V54-F160 HydrophobicContact CG2-CZ 3.96Å; H77-F160 HydrophobicContact CB-CD1 4.07Å; H77-F160 HydrophobicContact CB-CE1 3.81Å; H77-F160 HydrophobicContact CB-CE2 4.47Å; H77-F160 HydrophobicContact CB-CZ 4.03Å; H77-F160 AromaticContact CD2-CD1 3.81Å; H77-F160 AromaticContact CD2-CD2 3.62Å; H77-F160 AromaticContact CD2-CG 3.44Å; H77-F160 VanDerWaalsContact CD2-CG 3.44Å; H77-F160 WeakPolarHBondContact CD2-CG 3.43Å; S78-F160 WeakPolarHBondContact O-CE1 3.38Å; I79-F160 HydrophobicContact CG1-CE1 3.99Å; I79-F160 HydrophobicContact CG1-CZ 4.48Å; Y93-F160 HydrophobicContact CD1-CZ 4.16Å; Y93-F160 HydrophobicContact CG-CZ 4.18Å; M101-F160 HydrophobicContact CE-CD2 3.74Å; M101-F160 HydrophobicContact CE-CE2 4.01Å; M101-F160 HydrophobicContact SD-CD2 3.9Å; M101-F160 HydrophobicContact SD-CE2 3.77Å; Q103-F160 PolarHBondContact NE2-O 2.84Å; P111-F160 WeakPolarHBondContact CB-O 3.5Å; F139-F160 WeakPolarHBondContact CD1-O 3.49Å; F160-K164 VanDerWaalsContact CD1-O 3.24Å; F160-K164 WeakPolarHBondContact CD1-O 3.43Å; F160-I166 HydrophobicContact CD1-CD1 3.84Å; F160-I166 HydrophobicContact CD1-CG1 3.66Å; F160-I166 HydrophobicContact CD2-CD1 4.39Å; F160-I166 HydrophobicContact CE1-CD1 3.74Å; F160-I166 HydrophobicContact CE1-CG1 3.99Å; F160-I166 HydrophobicContact CE2-CD1 4.31Å; F160-I166 HydrophobicContact CG-CD1 4.17Å; F160-I166 HydrophobicContact CG-CG1 4.09Å; F160-I166 HydrophobicContact CZ-CD1 3.99Å
161	D	96.2	Very high	95.7	Very high	44 Å²	44	44.8 Å²	44.8	24%	0.235	23%	0.225	C	C	.	.			trans	-76.4	-173.9	176.9	67.6	14.3	0	0	0	112.7	F139 S163 K164 N165	F139-D161 HydrophobicContact CD2-CB 3.9Å; F139-D161 HydrophobicContact CE1-CB 4.38Å; F139-D161 HydrophobicContact CE2-CB 3.48Å; F139-D161 VanDerWaalsContact CE2-CB 3.48Å; F139-D161 HydrophobicContact CZ-CB 3.76Å; D161-S163 PolarHBondContact O-N 3.25Å; D161-S163 VanDerWaalsContact OD1-C 3.28Å; D161-S163 VanDerWaalsContact OD1-CA 3.23Å; D161-S163 WeakPolarHBondContact OD1-CA 3.21Å; D161-S163 VanDerWaalsContact OD1-CB 3.28Å; D161-S163 WeakPolarHBondContact OD1-CB 3.44Å; D161-S163 PolarHBondContact OD1-N 2.81Å; D161-K164 WeakPolarHBondContact O-CA 3.35Å; D161-K164 PolarHBondContact O-N 3.1Å; D161-K164 PolarHBondContact OD1-N 3.01Å; D161-N165 PolarHBondContact N-O 2.83Å; D161-N165 PolarHBondContact OD1-N 2.95Å
162	S	94.5	Very high	95.3	Very high	62 Å²	62	42.3 Å²	42.3	43%	0.434	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.9	177.5	-63.4	0	0	0	0	113.5	E109 K164	E109-S162 WeakPolarHBondContact OE2-CB 3.2Å; E109-S162 PolarHBondContact OE2-OG 2.91Å; S162-K164 VanDerWaalsContact C-N 3.28Å
163	S	92.5	Very high	95.1	Very high	75 Å²	75	41.6 Å²	41.6	52%	0.524	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	10.9	170.2	-58.3	0	0	0	0	112.5	D161 N165	D161-S163 PolarHBondContact O-N 3.25Å; D161-S163 VanDerWaalsContact OD1-C 3.28Å; D161-S163 VanDerWaalsContact OD1-CA 3.23Å; D161-S163 WeakPolarHBondContact OD1-CA 3.21Å; D161-S163 VanDerWaalsContact OD1-CB 3.28Å; D161-S163 WeakPolarHBondContact OD1-CB 3.44Å; D161-S163 PolarHBondContact OD1-N 2.81Å; S163-N165 PolarHBondContact O-N 2.85Å
164	K	95.6	Very high	94.9	Very high	87 Å²	87	43.4 Å²	43.4	38%	0.378	22%	0.222	S	C	.	.	S	Bend	trans	59	27	-176.4	-57.7	-175.7	-175.6	-178.1	0	113	G75 H77 S78 F160 D161 S162	G75-K164 WeakPolarHBondContact O-CD 3.35Å; G75-K164 PolarHBondContact O-NZ 2.84Å; H77-K164 CarbonylContact C-O 3.44Å; H77-K164 WeakPolarHBondContact CA-O 3.05Å; H77-K164 HydrophobicContact CB-CB 4.46Å; S78-K164 PolarHBondContact N-O 3.01Å; F160-K164 VanDerWaalsContact CD1-O 3.24Å; F160-K164 WeakPolarHBondContact CD1-O 3.43Å; D161-K164 WeakPolarHBondContact O-CA 3.35Å; D161-K164 PolarHBondContact O-N 3.1Å; D161-K164 PolarHBondContact OD1-N 3.01Å; S162-K164 VanDerWaalsContact C-N 3.28Å
165	N	95.6	Very high	94.7	Very high	14 Å²	14	41.7 Å²	41.7	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.8	-174.6	-179.6	69.3	0	0	0	112	S78 S80 D161 S163	S78-N165 CarbonylContact O-C 3.56Å; S78-N165 VanDerWaalsContact O-CA 3.27Å; S78-N165 WeakPolarHBondContact O-CA 3.42Å; S78-N165 PolarHBondContact O-OD1 3.42Å; S78-N165 PolarHBondContact OG-OD1 2.87Å; S80-N165 PolarHBondContact OG-OD1 2.91Å; D161-N165 PolarHBondContact N-O 2.83Å; D161-N165 PolarHBondContact OD1-N 2.95Å; S163-N165 PolarHBondContact O-N 2.85Å
166	I	97.1	Very high	94.5	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.1	162.1	-66.9	164.8	0	0	0	107.4	S78 I79 S80 A158 G159 F160 L168 V213	S78-I166 PolarHBondContact O-N 2.96Å; I79-I166 WeakPolarHBondContact CA-O 3.31Å; I79-I166 HydrophobicContact CB-CB 4.42Å; I79-I166 HydrophobicContact CD1-CD1 3.88Å; I79-I166 HydrophobicContact CG1-CB 4.06Å; I79-I166 HydrophobicContact CG1-CD1 4.1Å; I79-I166 HydrophobicContact CG2-CB 4.1Å; I79-I166 HydrophobicContact CG2-CG2 4.13Å; S80-I166 PolarHBondContact N-O 2.99Å; A158-I166 HydrophobicContact CB-CB 4.47Å; A158-I166 HydrophobicContact CB-CD1 4Å; A158-I166 HydrophobicContact CB-CG1 4.08Å; A158-I166 HydrophobicContact CB-CG2 3.53Å; G159-I166 WeakPolarHBondContact O-CG1 3.31Å; F160-I166 HydrophobicContact CD1-CD1 3.84Å; F160-I166 HydrophobicContact CD1-CG1 3.66Å; F160-I166 HydrophobicContact CD2-CD1 4.39Å; F160-I166 HydrophobicContact CE1-CD1 3.74Å; F160-I166 HydrophobicContact CE1-CG1 3.99Å; F160-I166 HydrophobicContact CE2-CD1 4.31Å; F160-I166 HydrophobicContact CG-CD1 4.17Å; F160-I166 HydrophobicContact CG-CG1 4.09Å; F160-I166 HydrophobicContact CZ-CD1 3.99Å; I166-L168 HydrophobicContact CG2-CD1 3.7Å; I166-V213 HydrophobicContact CD1-CG1 4.44Å; I166-V213 HydrophobicContact CG2-CG1 4.32Å
167	F	94.2	Very high	94	Very high	134 Å²	134	48 Å²	48	59%	0.588	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.4	-179.6	179.9	-101.9	0	0	0	111.7	T82 G169	T82-F167 WeakPolarHBondContact OG1-CE2 3.4Å; F167-G169 VanDerWaalsContact CE1-CA 3.49Å
168	L	94.5	Very high	93.4	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	98.1	170.6	-68.9	90.8	0	0	0	109	I79 S80 Y81 T82 I166 A172 V213	I79-L168 HydrophobicContact CG2-CD1 3.52Å; S80-L168 PolarHBondContact O-N 2.85Å; Y81-L168 HydrophobicContact CD1-CB 4.33Å; Y81-L168 HydrophobicContact CD1-CD1 4.1Å; Y81-L168 HydrophobicContact CD1-CD2 4.07Å; Y81-L168 HydrophobicContact CD1-CG 4.42Å; Y81-L168 HydrophobicContact CE1-CD1 3.94Å; Y81-L168 HydrophobicContact CE1-CD2 3.98Å; T82-L168 PolarHBondContact N-O 2.79Å; I166-L168 HydrophobicContact CG2-CD1 3.7Å; L168-A172 HydrophobicContact CB-CB 4.08Å; L168-A172 HydrophobicContact CD2-CB 4.4Å; L168-V213 HydrophobicContact CD1-CG1 4.41Å; L168-V213 HydrophobicContact CD1-CG2 4.33Å; L168-V213 HydrophobicContact CD2-CG2 4.09Å
169	G	89.9	Confident	92.8	Very high	18 Å²	18	58.4 Å²	58.4	19%	0.186	30%	0.304	C	S	.	.			trans	-68.2	176.4	-179.6	0	0	0	0	0	113.9	F167 K171 A172 K174	F167-G169 VanDerWaalsContact CE1-CA 3.49Å; G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.08Å; G169-A172 WeakPolarHBondContact O-CB 3.24Å; G169-A172 PolarHBondContact O-N 2.94Å; G169-K174 VanDerWaalsContact O-CE 3.24Å; G169-K174 WeakPolarHBondContact O-CE 3.5Å; G169-K174 PolarHBondContact O-NZ 2.67Å
170	E	85.7	Confident	92.3	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38	-175.7	-68.2	-179.6	-169.3	0	0	113.5	T82 R85 K174	T82-E170 HydrophobicContact CG2-CG 3.74Å; R85-E170 WeakPolarHBondContact CG-OE1 3.46Å; R85-E170 PolarHBondContact N-OE1 2.85Å; E170-K174 PolarHBondContact O-NZ 3.06Å
171	K	86.7	Confident	92.1	Very high	173 Å²	173	65.9 Å²	65.9	75%	0.752	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29	-179	-64.5	-172.2	179.1	-176.8	0	113.8	G169 Q227	G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.08Å; K171-Q227 PolarHBondContact O-OE1 2.85Å
172	A	91.4	Very high	92	Very high	10 Å²	10	64.9 Å²	64.9	8%	0.083	34%	0.342	C	S	.	.	S	Bend	trans	-63.5	140.4	-176.2	0	0	0	0	0	112.1	L168 G169 K174	L168-A172 HydrophobicContact CB-CB 4.08Å; L168-A172 HydrophobicContact CD2-CB 4.4Å; G169-A172 WeakPolarHBondContact O-CB 3.24Å; G169-A172 PolarHBondContact O-N 2.94Å; A172-K174 VanDerWaalsContact O-CE 3.32Å; A172-K174 WeakPolarHBondContact O-CE 3.36Å; A172-K174 PolarHBondContact O-N 3.36Å; A172-K174 PolarHBondContact O-NZ 3.29Å
173	A	94.1	Very high	92.2	Very high	15 Å²	15	61.9 Å²	61.9	12%	0.124	32%	0.322	C	S	.	.			trans	-63.2	126.7	172.1	0	0	0	0	0	109.7	W175 G184 L185 Q227	A173-W175 HydrophobicContact CB-CE3 4.47Å; A173-W175 HydrophobicContact CB-CZ3 3.99Å; A173-G184 CarbonylContact O-C 3.52Å; A173-G184 WeakPolarHBondContact O-CA 3.38Å; A173-L185 HydrophobicContact CB-CB 4.32Å; A173-L185 HydrophobicContact CB-CD1 4.42Å; A173-L185 HydrophobicContact CB-CG 4.41Å; A173-L185 PolarHBondContact O-N 2.82Å; A173-Q227 WeakPolarHBondContact CB-O 3.45Å
174	K	94.9	Very high	92.4	Very high	42 Å²	42	58.3 Å²	58.3	18%	0.183	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138.4	-178	60.5	-171.3	80.8	70.5	0	110.6	Y81 T82 L83 G169 E170 A172 D183	Y81-K174 HydrophobicContact CD1-CB 4.36Å; T82-K174 WeakPolarHBondContact O-CD 3.27Å; T82-K174 WeakPolarHBondContact O-CE 3.27Å; T82-K174 PolarHBondContact O-NZ 3.18Å; T82-K174 VanDerWaalsContact O-NZ 3.14Å; L83-K174 HydrophobicContact CD2-CD 3.46Å; L83-K174 VanDerWaalsContact CD2-CD 3.46Å; L83-K174 HydrophobicContact CD2-CG 4.01Å; G169-K174 VanDerWaalsContact O-CE 3.24Å; G169-K174 WeakPolarHBondContact O-CE 3.5Å; G169-K174 PolarHBondContact O-NZ 2.67Å; E170-K174 PolarHBondContact O-NZ 3.06Å; A172-K174 VanDerWaalsContact O-CE 3.32Å; A172-K174 WeakPolarHBondContact O-CE 3.36Å; A172-K174 PolarHBondContact O-N 3.36Å; A172-K174 PolarHBondContact O-NZ 3.29Å; K174-D183 VanDerWaalsContact CA-O 3.3Å; K174-D183 WeakPolarHBondContact CA-O 3.45Å
175	W	95	Very high	92.5	Very high	37 Å²	37	54.2 Å²	54.2	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	157.6	-171.7	62.8	92.9	0	0	0	110.7	A173 M182 D183 L185 Y218 R229	A173-W175 HydrophobicContact CB-CE3 4.47Å; A173-W175 HydrophobicContact CB-CZ3 3.99Å; W175-M182 WeakPolarHBondContact O-CE 3.3Å; W175-D183 HydrophobicContact CZ2-CB 4.02Å; W175-D183 WeakPolarHBondContact CZ2-OD2 3.28Å; W175-D183 PolarHBondContact N-O 2.86Å; W175-D183 PolarHBondContact O-N 2.71Å; W175-L185 HydrophobicContact CH2-CD2 3.8Å; W175-L185 HydrophobicContact CH2-CG 3.65Å; W175-L185 HydrophobicContact CZ3-CG 3.87Å; W175-Y218 AromaticContact CE2-CZ 3.98Å; W175-Y218 HydrophobicContact CH2-CE2 4.21Å; W175-Y218 HydrophobicContact CZ2-CE1 4.22Å; W175-Y218 AromaticContact CZ2-CE2 3.59Å; W175-Y218 HydrophobicContact CZ2-CE2 3.59Å; W175-Y218 AromaticContact CZ2-CZ 3.42Å; W175-Y218 VanDerWaalsContact CZ2-CZ 3.42Å; W175-Y218 VanDerWaalsContact CZ2-OH 3.23Å; W175-Y218 WeakPolarHBondContact CZ2-OH 3.33Å; W175-Y218 PolarHBondContact NE1-OH 2.87Å; W175-Y218 VanDerWaalsContact NE1-OH 3.1Å; W175-R229 HydrophobicContact CH2-CG 3.99Å; W175-R229 VanDerWaalsContact CZ2-CD 3.41Å; W175-R229 HydrophobicContact CZ3-CB 4.35Å; W175-R229 HydrophobicContact CZ3-CG 4.05Å
176	K	93.9	Very high	92.6	Very high	151 Å²	151	54.6 Å²	54.6	66%	0.657	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.1	168.5	-71.7	-174.1	175.5	-173.7	0	108.9	H181 M182	K176-H181 CarbonylContact C-O 3.57Å; K176-H181 VanDerWaalsContact CA-O 3.27Å; K176-H181 WeakPolarHBondContact CA-O 3.22Å; K176-M182 HydrophobicContact CB-CE 4.35Å; K176-M182 HydrophobicContact CG-CE 3.69Å; K176-M182 HydrophobicContact CG-SD 4.27Å; K176-M182 VanDerWaalsContact N-CE 3.26Å
177	N	88.8	Confident	92.4	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.102	30%	0.304	C	S	.	.			trans	-72	173.5	174.6	79.6	-13.2	0	0	0	110.3	D179 G180 H181	N177-D179 PolarHBondContact O-N 3.23Å; N177-D179 VanDerWaalsContact O-N 3.16Å; N177-D179 PolarHBondContact OD1-N 2.78Å; N177-G180 WeakPolarHBondContact O-CA 3.18Å; N177-G180 PolarHBondContact O-N 2.69Å; N177-G180 PolarHBondContact OD1-N 2.69Å; N177-H181 PolarHBondContact N-O 3.14Å; N177-H181 WeakPolarHBondContact OD1-CA 3.22Å; N177-H181 WeakPolarHBondContact OD1-CB 3.4Å; N177-H181 PolarHBondContact OD1-N 2.82Å; N177-H181 PolarHBondContact OD1-O 2.85Å
178	P	85.7	Confident	92.4	Very high	101 Å²	101	53.6 Å²	53.6	66%	0.656	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.5	179.9	-28.1	37.2	0	0	0	114.3	G180 L232	P178-G180 PolarHBondContact O-N 3.1Å; P178-L232 HydrophobicContact CG-CD2 4.31Å
179	D	86.4	Confident	92.5	Very high	125 Å²	125	53.5 Å²	53.5	67%	0.668	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1	176.7	-53.2	-46.4	0	0	0	113.5	N177 H181	N177-D179 PolarHBondContact O-N 3.23Å; N177-D179 VanDerWaalsContact O-N 3.16Å; N177-D179 PolarHBondContact OD1-N 2.78Å; D179-H181 VanDerWaalsContact C-N 3.3Å; D179-H181 PolarHBondContact O-N 3.01Å
180	G	88.3	Confident	93	Very high	42 Å²	42	52.8 Å²	52.8	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	81.8	2.3	179.9	0	0	0	0	0	114.8	N177 P178	N177-G180 WeakPolarHBondContact O-CA 3.18Å; N177-G180 PolarHBondContact O-N 2.69Å; N177-G180 PolarHBondContact OD1-N 2.69Å; P178-G180 PolarHBondContact O-N 3.1Å
181	H	92.4	Very high	93.6	Very high	123 Å²	123	48.3 Å²	48.3	57%	0.569	26%	0.257	S	S	*	.			trans	-78.1	148.7	176.2	-63.8	-55.7	0	0	0	111.8	K176 N177 D179	K176-H181 CarbonylContact C-O 3.57Å; K176-H181 VanDerWaalsContact CA-O 3.27Å; K176-H181 WeakPolarHBondContact CA-O 3.22Å; N177-H181 PolarHBondContact N-O 3.14Å; N177-H181 WeakPolarHBondContact OD1-CA 3.22Å; N177-H181 WeakPolarHBondContact OD1-CB 3.4Å; N177-H181 PolarHBondContact OD1-N 2.82Å; N177-H181 PolarHBondContact OD1-O 2.85Å; D179-H181 VanDerWaalsContact C-N 3.3Å; D179-H181 PolarHBondContact O-N 3.01Å
182	M	95.9	Very high	94.1	Very high	22 Å²	22	40.1 Å²	40.1	11%	0.108	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.5	173.8	-74	-89.4	50.4	0	0	111.6	Y81 L83 V89 W175 K176 C214	Y81-M182 HydrophobicContact CD2-CB 3.96Å; Y81-M182 HydrophobicContact CE2-CB 3.81Å; Y81-M182 HydrophobicContact CG-CB 4.36Å; Y81-M182 PolarHBondContact OH-O 2.75Å; L83-M182 HydrophobicContact CD2-SD 4.47Å; V89-M182 HydrophobicContact CG1-CG 4.06Å; V89-M182 HydrophobicContact CG2-SD 4.47Å; W175-M182 WeakPolarHBondContact O-CE 3.3Å; K176-M182 HydrophobicContact CB-CE 4.35Å; K176-M182 HydrophobicContact CG-CE 3.69Å; K176-M182 HydrophobicContact CG-SD 4.27Å; K176-M182 VanDerWaalsContact N-CE 3.26Å; M182-C214 PolarHBondContact O-SG 2.72Å
183	D	97.5	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	169.5	173.1	-166.8	15.8	0	0	0	110.3	K174 W175 S212 V213 C214	K174-D183 VanDerWaalsContact CA-O 3.3Å; K174-D183 WeakPolarHBondContact CA-O 3.45Å; W175-D183 HydrophobicContact CZ2-CB 4.02Å; W175-D183 WeakPolarHBondContact CZ2-OD2 3.28Å; W175-D183 PolarHBondContact N-O 2.86Å; W175-D183 PolarHBondContact O-N 2.71Å; D183-S212 VanDerWaalsContact OD1-CB 3.31Å; D183-S212 WeakPolarHBondContact OD1-CB 3.43Å; D183-S212 PolarHBondContact OD1-OG 2.8Å; D183-S212 WeakPolarHBondContact OD2-CB 3.35Å; D183-S212 PolarHBondContact OD2-OG 2.84Å; D183-V213 PolarHBondContact OD1-N 3.17Å; D183-C214 HydrophobicContact CB-CB 4.24Å; D183-C214 WeakPolarHBondContact OD1-CB 3.22Å; D183-C214 PolarHBondContact OD1-N 2.9Å
184	G	97.4	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	171.6	177.5	0	0	0	0	0	113.6	A173 V213	A173-G184 CarbonylContact O-C 3.52Å; A173-G184 WeakPolarHBondContact O-CA 3.38Å; G184-V213 WeakPolarHBondContact O-CG2 3.29Å; G184-V213 PolarHBondContact O-N 2.8Å
185	L	98.1	Very high	94.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.211	C	C	.	.			trans	-108.4	147	173.4	-57.4	-179.1	0	0	0	110.8	A173 W175 E210 R229	A173-L185 HydrophobicContact CB-CB 4.32Å; A173-L185 HydrophobicContact CB-CD1 4.42Å; A173-L185 HydrophobicContact CB-CG 4.41Å; A173-L185 PolarHBondContact O-N 2.82Å; W175-L185 HydrophobicContact CH2-CD2 3.8Å; W175-L185 HydrophobicContact CH2-CG 3.65Å; W175-L185 HydrophobicContact CZ3-CG 3.87Å; L185-E210 VanDerWaalsContact CD1-CD 3.48Å; L185-E210 HydrophobicContact CD1-CG 4.41Å; L185-E210 VanDerWaalsContact CD1-OE2 3.27Å; L185-E210 WeakPolarHBondContact CD1-OE2 3.32Å; L185-E210 HydrophobicContact CD2-CG 4.03Å; L185-R229 HydrophobicContact CD1-CB 4Å; L185-R229 HydrophobicContact CD1-CG 3.64Å; L185-R229 HydrophobicContact CG-CG 4.27Å
186	T	96.7	Very high	94.7	Very high	21 Å²	21	44.4 Å²	44.4	13%	0.129	23%	0.233	C	C	.	.			trans	-69.4	160.9	167	60.6	0	0	0	0	110.2	A157 A158 N188 G189 V213 R221	A157-T186 HydrophobicContact CB-CG2 4.1Å; A158-T186 HydrophobicContact CB-CG2 3.67Å; T186-N188 PolarHBondContact O-N 3.25Å; T186-G189 PolarHBondContact O-N 3.2Å; T186-G189 VanDerWaalsContact OG1-CA 3.28Å; T186-G189 WeakPolarHBondContact OG1-CA 3.32Å; T186-G189 PolarHBondContact OG1-N 3.36Å; T186-G189 VanDerWaalsContact OG1-N 3.1Å; T186-V213 HydrophobicContact CG2-CG2 4.17Å; T186-R221 PolarHBondContact O-NH2 3.08Å
187	T	93.6	Very high	94.5	Very high	83 Å²	83	40.6 Å²	40.6	51%	0.509	24%	0.237	S	C	.	.	S	Bend	trans	-52.1	-52.1	-176.6	-54	0	0	0	0	112.3	R221 S225	T187-R221 PolarHBondContact O-NH1 2.88Å; T187-S225 VanDerWaalsContact O-CA 3.29Å; T187-S225 WeakPolarHBondContact O-CA 3.31Å
188	N	94.1	Very high	94.7	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	25%	0.247	C	C	.	.	S	Bend	trans	-93	-13.9	-177.8	-64.8	-13.3	0	0	0	113.3	T135 T186 R224 S225 C249	T135-N188 PolarHBondContact O-ND2 2.68Å; T135-N188 VanDerWaalsContact O-ND2 3.13Å; T186-N188 PolarHBondContact O-N 3.25Å; N188-R224 WeakPolarHBondContact O-CD 3.37Å; N188-R224 PolarHBondContact O-NE 3.14Å; N188-S225 PolarHBondContact OD1-OG 3.19Å; N188-C249 HydrophobicContact CB-CB 3.97Å
189	G	96.7	Very high	95.1	Very high	4 Å²	4	37 Å²	37	4%	0.041	22%	0.219	C	C	.	.			trans	76.3	151.8	-178.1	0	0	0	0	0	113.9	T186 E210 R224	T186-G189 PolarHBondContact O-N 3.2Å; T186-G189 VanDerWaalsContact OG1-CA 3.28Å; T186-G189 WeakPolarHBondContact OG1-CA 3.32Å; T186-G189 PolarHBondContact OG1-N 3.36Å; T186-G189 VanDerWaalsContact OG1-N 3.1Å; G189-E210 WeakPolarHBondContact CA-OE1 3.18Å; G189-R224 PolarHBondContact O-NH2 2.82Å
190	V	98.7	Very high	95.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.4	168.5	172.8	0	0	0	0	106.6	A140 C141 I155 A157 I211 I246 L248	A140-V190 VanDerWaalsContact O-CG2 3.3Å; A140-V190 WeakPolarHBondContact O-CG2 3.31Å; C141-V190 HydrophobicContact CB-CG1 4.27Å; C141-V190 HydrophobicContact CB-CG2 4.11Å; I155-V190 HydrophobicContact CD1-CG1 3.9Å; A157-V190 HydrophobicContact CB-CB 4.07Å; A157-V190 HydrophobicContact CB-CG2 3.92Å; V190-I211 PolarHBondContact O-N 2.64Å; V190-I246 HydrophobicContact CG1-CG2 4.09Å; V190-L248 HydrophobicContact CG1-CD2 4.06Å; V190-L248 HydrophobicContact CG2-CD2 4.22Å
191	L	98.8	Very high	95.5	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.5	-178.9	-44.8	-179.6	0	0	0	110.7	W208 R209 E210 L220 I246 D247 P387	L191-W208 HydrophobicContact CB-CD2 4.49Å; L191-W208 HydrophobicContact CB-CE3 3.56Å; L191-W208 HydrophobicContact CB-CZ3 4Å; L191-R209 CarbonylContact C-O 3.47Å; L191-R209 WeakPolarHBondContact CA-O 3.46Å; L191-R209 WeakPolarHBondContact CB-O 3.49Å; L191-E210 HydrophobicContact CD2-CB 3.8Å; L191-E210 HydrophobicContact CD2-CG 4.04Å; L191-L220 HydrophobicContact CD1-CD2 3.93Å; L191-L220 HydrophobicContact CD2-CD2 3.73Å; L191-L220 HydrophobicContact CG-CD2 4.35Å; L191-I246 CarbonylContact O-C 3.53Å; L191-I246 WeakPolarHBondContact O-CA 3.45Å; L191-D247 HydrophobicContact CB-CB 4.16Å; L191-D247 PolarHBondContact N-O 3.32Å; L191-D247 PolarHBondContact O-N 3.37Å; L191-P387 HydrophobicContact CD1-CB 4.5Å; L191-P387 HydrophobicContact CD1-CG 4.14Å
192	V	98.8	Very high	95.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.4	176.6	178.9	0	0	0	0	110.1	I155 H194 W208 R209 I211 L240 L245 I246	I155-V192 HydrophobicContact CD1-CG2 4.05Å; I155-V192 HydrophobicContact CG2-CG2 3.87Å; V192-H194 VanDerWaalsContact CG1-CE1 3.46Å; V192-H194 WeakPolarHBondContact CG1-CE1 3.35Å; V192-W208 VanDerWaalsContact C-CE3 3.42Å; V192-W208 WeakPolarHBondContact O-CA 3.47Å; V192-R209 PolarHBondContact N-O 3.2Å; V192-R209 PolarHBondContact O-N 3.37Å; V192-I211 HydrophobicContact CB-CD1 4.28Å; V192-I211 HydrophobicContact CB-CG1 4.04Å; V192-I211 HydrophobicContact CG2-CD1 4.18Å; V192-I211 HydrophobicContact CG2-CG1 3.48Å; V192-I211 VanDerWaalsContact CG2-CG1 3.48Å; V192-L240 HydrophobicContact CG1-CD2 4.3Å; V192-L245 CarbonylContact C-O 3.56Å; V192-L245 WeakPolarHBondContact CA-O 3.21Å; V192-I246 HydrophobicContact CG2-CG1 4.33Å
193	M	98.6	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.1	170.6	-175.3	-162.1	80.2	0	0	109	W208 S244 L245 I384	M193-W208 HydrophobicContact CB-CD2 3.6Å; M193-W208 HydrophobicContact CB-CE3 3.71Å; M193-W208 HydrophobicContact CB-CG 4.11Å; M193-W208 HydrophobicContact CB-CH2 4.17Å; M193-W208 HydrophobicContact CB-CZ2 4.02Å; M193-W208 HydrophobicContact CB-CZ3 4Å; M193-W208 HydrophobicContact CG-CD2 4.47Å; M193-S244 WeakPolarHBondContact O-CA 3.43Å; M193-L245 HydrophobicContact CB-CB 4.46Å; M193-L245 HydrophobicContact CE-CD1 3.6Å; M193-L245 HydrophobicContact CE-CG 4.12Å; M193-L245 PolarHBondContact N-O 3.31Å; M193-L245 PolarHBondContact O-N 2.74Å; M193-I384 HydrophobicContact CE-CD1 3.99Å; M193-I384 HydrophobicContact CE-CG2 3.94Å; M193-I384 HydrophobicContact SD-CG2 4.45Å
194	H	98.3	Very high	95.1	Very high	32 Å²	32	38.9 Å²	38.9	15%	0.148	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-96.6	127.1	172.3	-56.6	-59.7	0	0	0	109.6	V192 G206 V239 S244	V192-H194 VanDerWaalsContact CG1-CE1 3.46Å; V192-H194 WeakPolarHBondContact CG1-CE1 3.35Å; H194-G206 WeakPolarHBondContact O-CA 3.35Å; H194-V239 PolarHBondContact CE1-O 3.45Å; H194-V239 VanDerWaalsContact CE1-O 3.24Å; H194-S244 PolarHBondContact CE1-OG 2.96Å; H194-S244 PolarHBondContact ND1-OG 3.47Å
195	P	96.2	Very high	94.9	Very high	4 Å²	4	40 Å²	40	3%	0.026	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-64.1	139.7	174.2	29.3	-34.8	0	0	0	110.1	G198 F199 G243 Y380	P195-G198 VanDerWaalsContact CB-O 3.31Å; P195-G198 WeakPolarHBondContact CB-O 3.33Å; P195-G198 WeakPolarHBondContact CG-O 3.31Å; P195-F199 HydrophobicContact CG-CB 4.49Å; P195-F199 HydrophobicContact CG-CD2 4.33Å; P195-G243 WeakPolarHBondContact CD-O 3.45Å; P195-Y380 HydrophobicContact CB-CE2 4.37Å
196	R	94.3	Very high	94.8	Very high	158 Å²	158	40.5 Å²	40.5	60%	0.596	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-80.8	132.7	177.4	-68.1	-175.1	-67.3	166.4	3.2	109.1	Q204 P205	R196-Q204 HydrophobicContact CB-CB 4.18Å; R196-Q204 PolarHBondContact N-O 3.06Å; R196-Q204 PolarHBondContact O-N 3.36Å; R196-P205 PolarHBondContact NE-O 2.66Å; R196-P205 PolarHBondContact NH2-O 2.9Å
197	G	89.9	Confident	94.8	Very high	72 Å²	72	43.7 Å²	43.7	74%	0.742	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	7.2	-177.5	0	0	0	0	0	114.7
198	G	91.6	Very high	95	Very high	30 Å²	30	40.1 Å²	40.1	31%	0.309	23%	0.226	S	C	.	.			trans	93.1	-163.4	-175.1	0	0	0	0	0	112.1	P195 S203	P195-G198 VanDerWaalsContact CB-O 3.31Å; P195-G198 WeakPolarHBondContact CB-O 3.33Å; P195-G198 WeakPolarHBondContact CG-O 3.31Å; G198-S203 VanDerWaalsContact C-OG 3.29Å; G198-S203 WeakPolarHBondContact O-CB 3.31Å; G198-S203 PolarHBondContact O-OG 2.79Å
199	F	95.3	Very high	95.2	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	22%	0.224	C	C	.	.	S	Bend	trans	-114.7	77.2	174.1	-164.5	-94	0	0	0	110.1	P195 S203 L254 R256 V357 Y380 W381	P195-F199 HydrophobicContact CG-CB 4.49Å; P195-F199 HydrophobicContact CG-CD2 4.33Å; F199-S203 VanDerWaalsContact CA-OG 3.29Å; F199-S203 WeakPolarHBondContact CA-OG 3.45Å; F199-L254 HydrophobicContact CE2-CD1 4.11Å; F199-L254 HydrophobicContact CZ-CD1 4.46Å; F199-L254 HydrophobicContact CZ-CD2 4.15Å; F199-R256 VanDerWaalsContact CG-NH1 3.3Å; F199-V357 HydrophobicContact CD1-CG1 3.99Å; F199-V357 HydrophobicContact CD2-CG1 4.45Å; F199-V357 HydrophobicContact CE1-CG1 3.77Å; F199-V357 HydrophobicContact CE2-CG1 4.22Å; F199-V357 HydrophobicContact CG-CG1 4.39Å; F199-V357 HydrophobicContact CZ-CG1 3.89Å; F199-Y380 HydrophobicContact CD2-CE1 4.2Å; F199-Y380 HydrophobicContact CE2-CD1 4.48Å; F199-Y380 AromaticContact CE2-CE1 3.53Å; F199-Y380 HydrophobicContact CE2-CE1 3.53Å; F199-Y380 AromaticContact CE2-CZ 3.77Å; F199-Y380 HydrophobicContact CZ-CE1 4.2Å; F199-W381 HydrophobicContact CE2-CZ2 4.28Å; F199-W381 HydrophobicContact CZ-CZ2 4.09Å
200	T	93.5	Very high	95.3	Very high	55 Å²	55	40.4 Å²	40.4	34%	0.337	22%	0.223	S	C	.	.	S	Bend	trans	-136.8	179.4	-176.3	72.2	0	0	0	0	109.4	E202 S203 V357	T200-E202 WeakPolarHBondContact CB-OE2 3.29Å; T200-E202 PolarHBondContact O-N 3.3Å; T200-E202 PolarHBondContact OG1-N 3.09Å; T200-E202 PolarHBondContact OG1-OE2 3.18Å; T200-S203 PolarHBondContact N-OG 2.88Å; T200-S203 WeakPolarHBondContact O-CB 3.4Å; T200-S203 PolarHBondContact O-N 3.43Å; T200-S203 VanDerWaalsContact O-N 3.1Å; T200-S203 PolarHBondContact O-OG 2.85Å; T200-V357 WeakPolarHBondContact O-CB 3.46Å
201	E	90.1	Very high	95.3	Very high	87 Å²	87	40.3 Å²	40.3	41%	0.407	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.2	180	59.9	-172.2	-126.7	0	0	115	V357 D358 K376	E201-V357 PolarHBondContact N-O 3.48Å; E201-D358 HydrophobicContact CB-CB 4.38Å; E201-K376 HydrophobicContact CB-CB 4.1Å; E201-K376 HydrophobicContact CB-CD 3.58Å; E201-K376 HydrophobicContact CB-CG 3.98Å; E201-K376 VanDerWaalsContact CD-CE 3.44Å; E201-K376 HydrophobicContact CG-CD 4.32Å; E201-K376 WeakPolarHBondContact OE1-CE 3.5Å; E201-K376 IonicContact OE1-NZ 2.87Å; E201-K376 PolarHBondContact OE1-NZ 2.94Å; E201-K376 WeakPolarHBondContact OE2-CD 3.43Å; E201-K376 WeakPolarHBondContact OE2-CE 3.34Å; E201-K376 IonicContact OE2-NZ 3.82Å; E201-K376 PolarHBondContact OE2-NZ 2.76Å
202	E	90.7	Very high	95.3	Very high	119 Å²	119	40 Å²	40	56%	0.556	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-2.7	177.2	-53.5	80.8	-177.1	0	0	113.3	T200 Q204	T200-E202 WeakPolarHBondContact CB-OE2 3.29Å; T200-E202 PolarHBondContact O-N 3.3Å; T200-E202 PolarHBondContact OG1-N 3.09Å; T200-E202 PolarHBondContact OG1-OE2 3.18Å; E202-Q204 PolarHBondContact O-N 3.15Å; E202-Q204 PolarHBondContact O-NE2 3.36Å
203	S	92.9	Very high	95.3	Very high	5 Å²	5	40 Å²	40	4%	0.035	22%	0.22	C	C	.	.			trans	-54.1	137.1	-175.8	-70.5	0	0	0	0	112.9	G198 F199 T200 Y380	G198-S203 VanDerWaalsContact C-OG 3.29Å; G198-S203 WeakPolarHBondContact O-CB 3.31Å; G198-S203 PolarHBondContact O-OG 2.79Å; F199-S203 VanDerWaalsContact CA-OG 3.29Å; F199-S203 WeakPolarHBondContact CA-OG 3.45Å; T200-S203 PolarHBondContact N-OG 2.88Å; T200-S203 WeakPolarHBondContact O-CB 3.4Å; T200-S203 PolarHBondContact O-N 3.43Å; T200-S203 VanDerWaalsContact O-N 3.1Å; T200-S203 PolarHBondContact O-OG 2.85Å; S203-Y380 VanDerWaalsContact CB-CE2 3.49Å
204	Q	93	Very high	95.3	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-112.7	151.5	174.2	-61.7	-59.7	-50.1	0	0	110.7	R196 E202 G206	R196-Q204 HydrophobicContact CB-CB 4.18Å; R196-Q204 PolarHBondContact N-O 3.06Å; R196-Q204 PolarHBondContact O-N 3.36Å; E202-Q204 PolarHBondContact O-N 3.15Å; E202-Q204 PolarHBondContact O-NE2 3.36Å; Q204-G206 PolarHBondContact O-N 2.63Å
205	P	92.1	Very high	95.3	Very high	24 Å²	24	40.6 Å²	40.6	16%	0.156	23%	0.229	C	C	.	.			trans	-54.4	139.2	174.1	-23.5	31.8	0	0	0	111.7	R196 Q383 I384	R196-P205 PolarHBondContact NE-O 2.66Å; R196-P205 PolarHBondContact NH2-O 2.9Å; P205-Q383 HydrophobicContact CG-CB 3.7Å; P205-Q383 VanDerWaalsContact CG-O 3.27Å; P205-Q383 WeakPolarHBondContact CG-O 3.25Å; P205-I384 HydrophobicContact CB-CD1 4.1Å; P205-I384 HydrophobicContact CG-CD1 4.1Å
206	G	96.2	Very high	95.4	Very high	11 Å²	11	42.7 Å²	42.7	11%	0.113	24%	0.24	C	C	.	.			trans	-86.9	-169.4	172.3	0	0	0	0	0	112.8	H194 Q204	H194-G206 WeakPolarHBondContact O-CA 3.35Å; Q204-G206 PolarHBondContact O-N 2.63Å
207	V	97.4	Very high	95.6	Very high	88 Å²	88	35.4 Å²	35.4	53%	0.533	21%	0.213	S	C	.	.			trans	-110.9	133.8	172.1	-178.6	0	0	0	0	108.4
208	W	98.4	Very high	96	Very high	9 Å²	9	32 Å²	32	3%	0.034	18%	0.178	C	C	.	.			trans	-69.9	133.1	173.3	-73.9	98.8	0	0	0	111.3	L191 V192 M193 L220 L245 D247 T252 P385 L386 P387 F393	L191-W208 HydrophobicContact CB-CD2 4.49Å; L191-W208 HydrophobicContact CB-CE3 3.56Å; L191-W208 HydrophobicContact CB-CZ3 4Å; V192-W208 VanDerWaalsContact C-CE3 3.42Å; V192-W208 WeakPolarHBondContact O-CA 3.47Å; M193-W208 HydrophobicContact CB-CD2 3.6Å; M193-W208 HydrophobicContact CB-CE3 3.71Å; M193-W208 HydrophobicContact CB-CG 4.11Å; M193-W208 HydrophobicContact CB-CH2 4.17Å; M193-W208 HydrophobicContact CB-CZ2 4.02Å; M193-W208 HydrophobicContact CB-CZ3 4Å; M193-W208 HydrophobicContact CG-CD2 4.47Å; W208-L220 HydrophobicContact CB-CD1 4.09Å; W208-L220 HydrophobicContact CB-CD2 3.98Å; W208-L220 HydrophobicContact CB-CG 4.32Å; W208-L245 HydrophobicContact CH2-CB 3.54Å; W208-L245 HydrophobicContact CH2-CD1 4.46Å; W208-L245 HydrophobicContact CZ2-CB 4.07Å; W208-L245 HydrophobicContact CZ2-CD1 4.2Å; W208-L245 HydrophobicContact CZ3-CB 4.27Å; W208-D247 HydrophobicContact CH2-CB 3.97Å; W208-D247 HydrophobicContact CZ3-CB 3.82Å; W208-T252 HydrophobicContact CH2-CG2 4.31Å; W208-P385 PolarHBondContact NE1-O 3.03Å; W208-L386 HydrophobicContact CZ2-CD2 4.19Å; W208-P387 HydrophobicContact CD2-CG 4.12Å; W208-P387 HydrophobicContact CE3-CG 4.44Å; W208-P387 HydrophobicContact CH2-CG 4.3Å; W208-P387 VanDerWaalsContact CZ2-CD 3.45Å; W208-P387 HydrophobicContact CZ2-CG 4Å; W208-F393 HydrophobicContact CB-CE1 4.4Å; W208-F393 AromaticContact CD1-CD1 3.86Å; W208-F393 AromaticContact CD1-CE1 3.53Å; W208-F393 AromaticContact CG-CE1 3.98Å; W208-F393 HydrophobicContact CG-CE1 3.98Å
209	R	98.6	Very high	96.3	Very high	42 Å²	42	32.4 Å²	32.4	16%	0.158	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.6	174.3	-59.5	-57.1	-173.7	-164	5.6	110.3	L191 V192 V217 Y218 E236	L191-R209 CarbonylContact C-O 3.47Å; L191-R209 WeakPolarHBondContact CA-O 3.46Å; L191-R209 WeakPolarHBondContact CB-O 3.49Å; V192-R209 PolarHBondContact N-O 3.2Å; V192-R209 PolarHBondContact O-N 3.37Å; R209-V217 HydrophobicContact CB-CG1 3.57Å; R209-V217 HydrophobicContact CG-CG1 3.65Å; R209-Y218 CarbonylContact C-O 3.53Å; R209-Y218 WeakPolarHBondContact CA-O 3.46Å; R209-Y218 WeakPolarHBondContact CB-O 3.46Å; R209-E236 WeakPolarHBondContact CD-OE2 3.27Å; R209-E236 WeakPolarHBondContact CG-OE2 3.23Å; R209-E236 IonicContact CZ-OE1 2.66Å; R209-E236 IonicContact CZ-OE2 3.2Å; R209-E236 IonicContact NE-OE1 3.22Å; R209-E236 PolarHBondContact NE-OE1 3.18Å; R209-E236 IonicContact NE-OE2 3.52Å; R209-E236 PolarHBondContact NE-OE2 2.91Å; R209-E236 IonicContact NH2-OE1 2.63Å; R209-E236 PolarHBondContact NH2-OE1 3.37Å; R209-E236 IonicContact NH2-OE2 3.86Å
210	E	98.8	Very high	96.5	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.7	170.5	-176.2	167.3	-159.2	0	0	110	L185 G189 L191 Y218 R221	L185-E210 VanDerWaalsContact CD1-CD 3.48Å; L185-E210 HydrophobicContact CD1-CG 4.41Å; L185-E210 VanDerWaalsContact CD1-OE2 3.27Å; L185-E210 WeakPolarHBondContact CD1-OE2 3.32Å; L185-E210 HydrophobicContact CD2-CG 4.03Å; G189-E210 WeakPolarHBondContact CA-OE1 3.18Å; L191-E210 HydrophobicContact CD2-CB 3.8Å; L191-E210 HydrophobicContact CD2-CG 4.04Å; E210-Y218 PolarHBondContact N-O 2.82Å; E210-Y218 PolarHBondContact O-N 2.97Å; E210-R221 IonicContact OE1-CZ 3.86Å; E210-R221 VanDerWaalsContact OE1-CZ 3.27Å; E210-R221 IonicContact OE1-NE 3.37Å; E210-R221 PolarHBondContact OE1-NE 2.84Å; E210-R221 VanDerWaalsContact OE1-NE 3.13Å; E210-R221 IonicContact OE1-NH2 3.61Å; E210-R221 PolarHBondContact OE1-NH2 3.33Å; E210-R221 WeakPolarHBondContact OE2-CG 3.27Å; E210-R221 IonicContact OE2-CZ 3.21Å; E210-R221 IonicContact OE2-NE 3.54Å; E210-R221 PolarHBondContact OE2-NE 2.77Å; E210-R221 IonicContact OE2-NH2 2.7Å
211	I	98.8	Very high	96.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.6	177.9	-54.9	-59.1	0	0	0	109.2	I155 A157 V190 V192 V217 N238	I155-I211 HydrophobicContact CG2-CG1 4.16Å; I155-I211 HydrophobicContact CG2-CG2 4.45Å; I155-I211 WeakPolarHBondContact O-CG2 3.41Å; A157-I211 VanDerWaalsContact CB-O 3.25Å; A157-I211 WeakPolarHBondContact CB-O 3.26Å; V190-I211 PolarHBondContact O-N 2.64Å; V192-I211 HydrophobicContact CB-CD1 4.28Å; V192-I211 HydrophobicContact CB-CG1 4.04Å; V192-I211 HydrophobicContact CG2-CD1 4.18Å; V192-I211 HydrophobicContact CG2-CG1 3.48Å; V192-I211 VanDerWaalsContact CG2-CG1 3.48Å; I211-V217 HydrophobicContact CD1-CG2 4.01Å; I211-N238 HydrophobicContact CD1-CB 4.36Å; I211-N238 HydrophobicContact CG2-CB 4.37Å
212	S	98.6	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-81.6	173.4	176.8	80.4	0	0	0	0	113.2	A157 D183 C214 G215 D216	A157-S212 PolarHBondContact N-O 3.32Å; D183-S212 VanDerWaalsContact OD1-CB 3.31Å; D183-S212 WeakPolarHBondContact OD1-CB 3.43Å; D183-S212 PolarHBondContact OD1-OG 2.8Å; D183-S212 WeakPolarHBondContact OD2-CB 3.35Å; D183-S212 PolarHBondContact OD2-OG 2.84Å; S212-C214 VanDerWaalsContact C-N 3.25Å; S212-C214 PolarHBondContact O-N 3.32Å; S212-C214 PolarHBondContact OG-N 3.4Å; S212-G215 PolarHBondContact O-N 3.21Å; S212-G215 PolarHBondContact OG-N 3.28Å; S212-G215 VanDerWaalsContact OG-N 3.1Å; S212-D216 PolarHBondContact N-O 3.47Å; S212-D216 PolarHBondContact OG-N 3.32Å
213	V	98.4	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.6	177.3	171.6	0	0	0	0	111.7	I79 R142 A157 A158 I166 L168 D183 G184 T186	I79-V213 HydrophobicContact CD1-CG1 3.51Å; I79-V213 HydrophobicContact CG2-CG1 4.13Å; R142-V213 PolarHBondContact NH2-O 2.87Å; A157-V213 HydrophobicContact CB-CG2 4.32Å; A158-V213 HydrophobicContact CB-CG2 4.25Å; I166-V213 HydrophobicContact CD1-CG1 4.44Å; I166-V213 HydrophobicContact CG2-CG1 4.32Å; L168-V213 HydrophobicContact CD1-CG1 4.41Å; L168-V213 HydrophobicContact CD1-CG2 4.33Å; L168-V213 HydrophobicContact CD2-CG2 4.09Å; D183-V213 PolarHBondContact OD1-N 3.17Å; G184-V213 WeakPolarHBondContact O-CG2 3.29Å; G184-V213 PolarHBondContact O-N 2.8Å; T186-V213 HydrophobicContact CG2-CG2 4.17Å
214	C	98.3	Very high	96.9	Very high	38 Å²	38	35.3 Å²	35.3	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.4	173.8	-66	0	0	0	0	114.1	Y81 F156 M182 D183 S212	Y81-C214 PolarHBondContact OH-SG 2.9Å; Y81-C214 VanDerWaalsContact OH-SG 3.39Å; F156-C214 VanDerWaalsContact CE1-O 3.26Å; F156-C214 WeakPolarHBondContact CE1-O 3.44Å; M182-C214 PolarHBondContact O-SG 2.72Å; D183-C214 HydrophobicContact CB-CB 4.24Å; D183-C214 WeakPolarHBondContact OD1-CB 3.22Å; D183-C214 PolarHBondContact OD1-N 2.9Å; S212-C214 VanDerWaalsContact C-N 3.25Å; S212-C214 PolarHBondContact O-N 3.32Å; S212-C214 PolarHBondContact OG-N 3.4Å
215	G	98.2	Very high	96.8	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	18%	0.181	C	C	.	.			trans	92.8	11.9	171.3	0	0	0	0	0	115.4	S212 N238	S212-G215 PolarHBondContact O-N 3.21Å; S212-G215 PolarHBondContact OG-N 3.28Å; S212-G215 VanDerWaalsContact OG-N 3.1Å; G215-N238 VanDerWaalsContact O-CB 3.27Å; G215-N238 WeakPolarHBondContact O-CB 3.42Å; G215-N238 VanDerWaalsContact O-CG 3.3Å
216	D	98.3	Very high	96.8	Very high	48 Å²	48	33.1 Å²	33.1	26%	0.257	18%	0.183	S	C	.	.			trans	-74.6	152	170.8	-74.4	-16	0	0	0	110.5	S212 Y218 L232	S212-D216 PolarHBondContact N-O 3.47Å; S212-D216 PolarHBondContact OG-N 3.32Å; D216-Y218 HydrophobicContact CB-CD2 4.39Å; D216-Y218 HydrophobicContact CB-CE2 3.53Å; D216-L232 HydrophobicContact CB-CD1 4.17Å
217	V	98.6	Very high	96.5	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.5	-176.3	-174	0	0	0	0	110.6	R209 I211 V233 E236	R209-V217 HydrophobicContact CB-CG1 3.57Å; R209-V217 HydrophobicContact CG-CG1 3.65Å; I211-V217 HydrophobicContact CD1-CG2 4.01Å; V217-V233 HydrophobicContact CG1-CB 4.29Å; V217-V233 PolarHBondContact O-N 2.84Å; V217-E236 HydrophobicContact CB-CB 4.37Å; V217-E236 HydrophobicContact CG1-CB 4.01Å; V217-E236 HydrophobicContact CG2-CB 4.47Å
218	Y	98.6	Very high	96.4	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.4	178.4	-66.2	-89.3	0	0	0	111.6	W175 R209 E210 D216 R229 K231 L232	W175-Y218 AromaticContact CE2-CZ 3.98Å; W175-Y218 HydrophobicContact CH2-CE2 4.21Å; W175-Y218 HydrophobicContact CZ2-CE1 4.22Å; W175-Y218 AromaticContact CZ2-CE2 3.59Å; W175-Y218 HydrophobicContact CZ2-CE2 3.59Å; W175-Y218 AromaticContact CZ2-CZ 3.42Å; W175-Y218 VanDerWaalsContact CZ2-CZ 3.42Å; W175-Y218 VanDerWaalsContact CZ2-OH 3.23Å; W175-Y218 WeakPolarHBondContact CZ2-OH 3.33Å; W175-Y218 PolarHBondContact NE1-OH 2.87Å; W175-Y218 VanDerWaalsContact NE1-OH 3.1Å; R209-Y218 CarbonylContact C-O 3.53Å; R209-Y218 WeakPolarHBondContact CA-O 3.46Å; R209-Y218 WeakPolarHBondContact CB-O 3.46Å; E210-Y218 PolarHBondContact N-O 2.82Å; E210-Y218 PolarHBondContact O-N 2.97Å; D216-Y218 HydrophobicContact CB-CD2 4.39Å; D216-Y218 HydrophobicContact CB-CE2 3.53Å; Y218-R229 VanDerWaalsContact CD1-CD 3.42Å; Y218-R229 HydrophobicContact CD1-CG 3.78Å; Y218-R229 VanDerWaalsContact CD1-NE 3.34Å; Y218-R229 HydrophobicContact CE1-CG 4.19Å; Y218-R229 VanDerWaalsContact CE1-CZ 3.4Å; Y218-R229 HydrophobicContact CG-CG 4.07Å; Y218-K231 CarbonylContact C-O 3.54Å; Y218-K231 VanDerWaalsContact CA-O 3.25Å; Y218-K231 WeakPolarHBondContact CA-O 3.41Å; Y218-L232 HydrophobicContact CD1-CB 4.18Å; Y218-L232 HydrophobicContact CD1-CD1 4.41Å; Y218-L232 HydrophobicContact CE1-CB 3.74Å; Y218-L232 HydrophobicContact CE1-CD1 3.76Å; Y218-L232 HydrophobicContact CE1-CG 4.36Å; Y218-L232 HydrophobicContact CE2-CD1 4.24Å
219	T	98.6	Very high	96.2	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.233	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	160.6	162.3	71.1	0	0	0	0	109.7	G230 K231 V233	T219-G230 WeakPolarHBondContact O-CA 3.43Å; T219-G230 WeakPolarHBondContact OG1-CA 3.34Å; T219-K231 HydrophobicContact CG2-CB 4.06Å; T219-K231 PolarHBondContact N-O 3.18Å; T219-K231 PolarHBondContact OG1-N 3.19Å; T219-V233 HydrophobicContact CG2-CG2 3.72Å
220	L	97.9	Very high	96.2	Very high	55 Å²	55	41.2 Å²	41.2	29%	0.288	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-57	151.6	171.6	-58.9	-179.2	0	0	0	111.5	L191 W208 F393	L191-L220 HydrophobicContact CD1-CD2 3.93Å; L191-L220 HydrophobicContact CD2-CD2 3.73Å; L191-L220 HydrophobicContact CG-CD2 4.35Å; W208-L220 HydrophobicContact CB-CD1 4.09Å; W208-L220 HydrophobicContact CB-CD2 3.98Å; W208-L220 HydrophobicContact CB-CG 4.32Å; L220-F393 HydrophobicContact CD1-CE1 4.37Å; L220-F393 HydrophobicContact CD1-CE2 4.17Å; L220-F393 HydrophobicContact CD1-CZ 3.51Å
221	R	96.7	Very high	96.1	Very high	23 Å²	23	49 Å²	49	9%	0.087	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68.1	166	163.6	-42.5	-171.5	-163.4	171.3	3.4	109.6	T186 T187 E210 T223 A226 Q228	T186-R221 PolarHBondContact O-NH2 3.08Å; T187-R221 PolarHBondContact O-NH1 2.88Å; E210-R221 IonicContact OE1-CZ 3.86Å; E210-R221 VanDerWaalsContact OE1-CZ 3.27Å; E210-R221 IonicContact OE1-NE 3.37Å; E210-R221 PolarHBondContact OE1-NE 2.84Å; E210-R221 VanDerWaalsContact OE1-NE 3.13Å; E210-R221 IonicContact OE1-NH2 3.61Å; E210-R221 PolarHBondContact OE1-NH2 3.33Å; E210-R221 WeakPolarHBondContact OE2-CG 3.27Å; E210-R221 IonicContact OE2-CZ 3.21Å; E210-R221 IonicContact OE2-NE 3.54Å; E210-R221 PolarHBondContact OE2-NE 2.77Å; E210-R221 IonicContact OE2-NH2 2.7Å; R221-T223 VanDerWaalsContact C-N 3.28Å; R221-T223 WeakPolarHBondContact CB-O 3.4Å; R221-T223 PolarHBondContact O-N 3.46Å; R221-A226 HydrophobicContact CB-CB 4.2Å; R221-A226 WeakPolarHBondContact CD-O 3.34Å; R221-A226 PolarHBondContact NH1-O 2.95Å; R221-Q228 WeakPolarHBondContact CD-O 3.38Å; R221-Q228 WeakPolarHBondContact CG-O 3.44Å
222	E	93.7	Very high	96	Very high	167 Å²	167	51.5 Å²	51.5	78%	0.78	26%	0.261	S	S	*	.	S	Bend	trans	-59.2	-41.5	175	-66.6	-171.3	161.1	0	0	112.4
223	T	93.3	Very high	96	Very high	64 Å²	64	52.3 Å²	52.3	39%	0.393	27%	0.266	S	S	.	.	S	Bend	trans	-137.5	149.9	171.4	56.2	0	0	0	0	109.6	R221 S225 A226 H391	R221-T223 VanDerWaalsContact C-N 3.28Å; R221-T223 WeakPolarHBondContact CB-O 3.4Å; R221-T223 PolarHBondContact O-N 3.46Å; T223-S225 PolarHBondContact O-N 3.43Å; T223-A226 WeakPolarHBondContact O-CB 3.4Å; T223-A226 PolarHBondContact O-N 3.02Å; T223-H391 HydrophobicContact CG2-CB 4.43Å
224	R	91.6	Very high	95.9	Very high	32 Å²	32	60.1 Å²	60.1	12%	0.121	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.6	173.3	-158.2	73	-179.6	-100.4	3.3	108.9	N188 G189 A226 D247 T390	N188-R224 WeakPolarHBondContact O-CD 3.37Å; N188-R224 PolarHBondContact O-NE 3.14Å; G189-R224 PolarHBondContact O-NH2 2.82Å; R224-A226 PolarHBondContact O-N 2.8Å; R224-D247 IonicContact CZ-OD1 3.87Å; R224-D247 IonicContact NH1-OD1 2.96Å; R224-D247 PolarHBondContact NH1-OD1 2.8Å; R224-D247 IonicContact NH2-OD1 3.44Å; R224-D247 PolarHBondContact NH2-OD1 2.8Å; R224-T390 WeakPolarHBondContact CB-O 3.43Å; R224-T390 PolarHBondContact N-O 3.01Å
225	S	91.3	Very high	95.8	Very high	39 Å²	39	63.5 Å²	63.5	27%	0.273	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	5.1	-177.3	-41.6	0	0	0	0	116.7	T187 N188 T223	T187-S225 VanDerWaalsContact O-CA 3.29Å; T187-S225 WeakPolarHBondContact O-CA 3.31Å; N188-S225 PolarHBondContact OD1-OG 3.19Å; T223-S225 PolarHBondContact O-N 3.43Å
226	A	93.1	Very high	95.8	Very high	24 Å²	24	66.2 Å²	66.2	20%	0.198	34%	0.338	C	S	.	.			trans	-59.2	146.8	169.2	0	0	0	0	0	111.2	R221 T223 R224 Q228	R221-A226 HydrophobicContact CB-CB 4.2Å; R221-A226 WeakPolarHBondContact CD-O 3.34Å; R221-A226 PolarHBondContact NH1-O 2.95Å; T223-A226 WeakPolarHBondContact O-CB 3.4Å; T223-A226 PolarHBondContact O-N 3.02Å; R224-A226 PolarHBondContact O-N 2.8Å; A226-Q228 VanDerWaalsContact C-N 3.28Å; A226-Q228 PolarHBondContact O-N 2.83Å
227	Q	89.7	Confident	95.8	Very high	95 Å²	95	67.7 Å²	67.7	44%	0.444	35%	0.349	S	S	.	.	S	Bend	trans	-77.4	-16.5	-179.1	-56.7	-55.7	-3.2	0	0	113.7	K171 A173	K171-Q227 PolarHBondContact O-OE1 2.85Å; A173-Q227 WeakPolarHBondContact CB-O 3.45Å
228	Q	94.2	Very high	95.8	Very high	131 Å²	131	68.2 Å²	68.2	61%	0.612	35%	0.351	S	S	*	.	S	Bend	trans	-82.7	121.9	177.3	-169.8	176.1	9.5	0	0	110	R221 A226	R221-Q228 WeakPolarHBondContact CD-O 3.38Å; R221-Q228 WeakPolarHBondContact CG-O 3.44Å; A226-Q228 VanDerWaalsContact C-N 3.28Å; A226-Q228 PolarHBondContact O-N 2.83Å
229	R	95.7	Very high	95.8	Very high	83 Å²	83	70 Å²	70	31%	0.313	36%	0.362	S	S	.	.			trans	-68.6	148.6	172.6	-172.6	-167.2	75.5	-158	10.5	110.5	W175 L185 Y218	W175-R229 HydrophobicContact CH2-CG 3.99Å; W175-R229 VanDerWaalsContact CZ2-CD 3.41Å; W175-R229 HydrophobicContact CZ3-CB 4.35Å; W175-R229 HydrophobicContact CZ3-CG 4.05Å; L185-R229 HydrophobicContact CD1-CB 4Å; L185-R229 HydrophobicContact CD1-CG 3.64Å; L185-R229 HydrophobicContact CG-CG 4.27Å; Y218-R229 VanDerWaalsContact CD1-CD 3.42Å; Y218-R229 HydrophobicContact CD1-CG 3.78Å; Y218-R229 VanDerWaalsContact CD1-NE 3.34Å; Y218-R229 HydrophobicContact CE1-CG 4.19Å; Y218-R229 VanDerWaalsContact CE1-CZ 3.4Å; Y218-R229 HydrophobicContact CG-CG 4.07Å
230	G	97.2	Very high	95.8	Very high	12 Å²	12	68.5 Å²	68.5	12%	0.124	35%	0.352	C	S	.	.			trans	-66.4	-175.1	165	0	0	0	0	0	114.5	T219	T219-G230 WeakPolarHBondContact O-CA 3.43Å; T219-G230 WeakPolarHBondContact OG1-CA 3.34Å
231	K	97.6	Very high	95.8	Very high	166 Å²	166	70.3 Å²	70.3	72%	0.722	36%	0.359	S	S	*	.			trans	-82.1	141.5	178.6	-62.4	179.8	-179	177.9	0	110.2	Y218 T219	Y218-K231 CarbonylContact C-O 3.54Å; Y218-K231 VanDerWaalsContact CA-O 3.25Å; Y218-K231 WeakPolarHBondContact CA-O 3.41Å; T219-K231 HydrophobicContact CG2-CB 4.06Å; T219-K231 PolarHBondContact N-O 3.18Å; T219-K231 PolarHBondContact OG1-N 3.19Å
232	L	97.5	Very high	95.9	Very high	54 Å²	54	70.7 Å²	70.7	28%	0.283	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-63.3	138.9	174.2	-179.2	66	0	0	0	109.5	P178 D216 Y218 E234	P178-L232 HydrophobicContact CG-CD2 4.31Å; D216-L232 HydrophobicContact CB-CD1 4.17Å; Y218-L232 HydrophobicContact CD1-CB 4.18Å; Y218-L232 HydrophobicContact CD1-CD1 4.41Å; Y218-L232 HydrophobicContact CE1-CB 3.74Å; Y218-L232 HydrophobicContact CE1-CD1 3.76Å; Y218-L232 HydrophobicContact CE1-CG 4.36Å; Y218-L232 HydrophobicContact CE2-CD1 4.24Å; L232-E234 HydrophobicContact CD2-CG 3.7Å; L232-E234 HydrophobicContact CG-CG 3.89Å
233	V	97.9	Very high	96.1	Very high	17 Å²	17	62.7 Å²	62.7	10%	0.103	33%	0.326	C	S	.	.			trans	-118.4	84.1	177.9	-171.4	0	0	0	0	108.7	V217 T219 S235 E236	V217-V233 HydrophobicContact CG1-CB 4.29Å; V217-V233 PolarHBondContact O-N 2.84Å; T219-V233 HydrophobicContact CG2-CG2 3.72Å; V233-S235 PolarHBondContact O-N 3.15Å; V233-E236 HydrophobicContact CG1-CB 3.93Å; V233-E236 HydrophobicContact CG1-CG 3.78Å; V233-E236 PolarHBondContact O-N 3Å
234	E	95.7	Very high	96.4	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.4	-174.7	-62.2	178	166.3	0	0	113.7	L232 E236	L232-E234 HydrophobicContact CD2-CG 3.7Å; L232-E234 HydrophobicContact CG-CG 3.89Å; E234-E236 VanDerWaalsContact C-N 3.29Å; E234-E236 PolarHBondContact O-N 3.15Å
235	S	97.1	Very high	96.7	Very high	110 Å²	110	58.1 Å²	58.1	77%	0.769	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.5	178.5	59.7	0	0	0	0	114.1	V233	V233-S235 PolarHBondContact O-N 3.15Å
236	E	97.9	Very high	97.1	Very high	64 Å²	64	56.3 Å²	56.3	30%	0.299	29%	0.289	S	S	.	.			trans	-118.3	156.6	-178.1	-67.6	176.2	-146.3	0	0	110.2	R209 V217 V233 E234	R209-E236 WeakPolarHBondContact CD-OE2 3.27Å; R209-E236 WeakPolarHBondContact CG-OE2 3.23Å; R209-E236 IonicContact CZ-OE1 2.66Å; R209-E236 IonicContact CZ-OE2 3.2Å; R209-E236 IonicContact NE-OE1 3.22Å; R209-E236 PolarHBondContact NE-OE1 3.18Å; R209-E236 IonicContact NE-OE2 3.52Å; R209-E236 PolarHBondContact NE-OE2 2.91Å; R209-E236 IonicContact NH2-OE1 2.63Å; R209-E236 PolarHBondContact NH2-OE1 3.37Å; R209-E236 IonicContact NH2-OE2 3.86Å; V217-E236 HydrophobicContact CB-CB 4.37Å; V217-E236 HydrophobicContact CG1-CB 4.01Å; V217-E236 HydrophobicContact CG2-CB 4.47Å; V233-E236 HydrophobicContact CG1-CB 3.93Å; V233-E236 HydrophobicContact CG1-CG 3.78Å; V233-E236 PolarHBondContact O-N 3Å; E234-E236 VanDerWaalsContact C-N 3.29Å; E234-E236 PolarHBondContact O-N 3.15Å
237	T	98.3	Very high	97.4	Very high	79 Å²	79	55.4 Å²	55.4	49%	0.485	28%	0.28	S	S	.	.			trans	-131	165.4	-176.8	71.9	0	0	0	0	110.8	V239	T237-V239 PolarHBondContact O-N 3.3Å; T237-V239 PolarHBondContact OG1-N 3.1Å
238	N	98.6	Very high	97.8	Very high	16 Å²	16	51 Å²	51	9%	0.086	26%	0.26	C	S	.	.	S	Bend	trans	-83	14.5	174.5	68.8	-21.5	0	0	0	114.4	R154 I155 F156 I211 G215 L240	R154-N238 VanDerWaalsContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CA-O 3.37Å; I155-N238 HydrophobicContact CG2-CB 4.33Å; I155-N238 PolarHBondContact N-O 2.79Å; I155-N238 VanDerWaalsContact O-CB 3.32Å; I155-N238 WeakPolarHBondContact O-CB 3.26Å; I155-N238 PolarHBondContact O-ND2 3.02Å; F156-N238 WeakPolarHBondContact CZ-ND2 3.3Å; I211-N238 HydrophobicContact CD1-CB 4.36Å; I211-N238 HydrophobicContact CG2-CB 4.37Å; G215-N238 VanDerWaalsContact O-CB 3.27Å; G215-N238 WeakPolarHBondContact O-CB 3.42Å; G215-N238 VanDerWaalsContact O-CG 3.3Å; N238-L240 PolarHBondContact O-N 2.76Å
239	V	98.9	Very high	97.8	Very high	37 Å²	37	45.7 Å²	45.7	22%	0.224	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-71.3	122.2	175.9	174.6	0	0	0	0	109.4	T152 A153 R154 H194 T237 Q241	T152-V239 HydrophobicContact CG2-CB 4.33Å; T152-V239 HydrophobicContact CG2-CG1 3.49Å; T152-V239 VanDerWaalsContact CG2-CG1 3.49Å; T152-V239 HydrophobicContact CG2-CG2 3.92Å; A153-V239 WeakPolarHBondContact O-CA 3.31Å; R154-V239 HydrophobicContact CG-CG2 3.93Å; H194-V239 PolarHBondContact CE1-O 3.45Å; H194-V239 VanDerWaalsContact CE1-O 3.24Å; T237-V239 PolarHBondContact O-N 3.3Å; T237-V239 PolarHBondContact OG1-N 3.1Å; V239-Q241 PolarHBondContact O-N 2.81Å
240	L	98.8	Very high	97.7	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-76.6	116.6	176.5	-69.3	177.3	0	0	0	110.5	I143 A153 I155 V192 N238 I246 W255	I143-L240 HydrophobicContact CD1-CD1 3.81Å; I143-L240 HydrophobicContact CG2-CD1 4.23Å; A153-L240 HydrophobicContact CB-CB 4.36Å; A153-L240 PolarHBondContact O-N 2.91Å; I155-L240 HydrophobicContact CB-CD1 4.23Å; I155-L240 HydrophobicContact CB-CD2 4.21Å; I155-L240 HydrophobicContact CB-CG 4.18Å; I155-L240 HydrophobicContact CG2-CD2 3.82Å; I155-L240 HydrophobicContact CG2-CG 4.13Å; V192-L240 HydrophobicContact CG1-CD2 4.3Å; N238-L240 PolarHBondContact O-N 2.76Å; L240-I246 HydrophobicContact CD1-CD1 4.05Å; L240-I246 HydrophobicContact CD2-CD1 4.02Å; L240-I246 HydrophobicContact CD2-CG1 4.12Å; L240-W255 HydrophobicContact CB-CD2 4.36Å; L240-W255 HydrophobicContact CB-CG 3.95Å; L240-W255 HydrophobicContact CD1-CB 4.33Å; L240-W255 HydrophobicContact CD1-CD2 4.03Å; L240-W255 HydrophobicContact CD1-CE3 4.41Å; L240-W255 HydrophobicContact CD1-CG 3.99Å; L240-W255 HydrophobicContact CG-CG 4.49Å
241	Q	98	Very high	97.7	Very high	93 Å²	93	42.6 Å²	42.6	44%	0.435	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-89.7	156.4	173.8	-59.1	172	11.5	0	0	110.4	V239 G243 S244 W255	V239-Q241 PolarHBondContact O-N 2.81Å; Q241-G243 PolarHBondContact O-N 2.87Å; Q241-S244 PolarHBondContact N-OG 3.23Å; Q241-S244 WeakPolarHBondContact O-CB 3.3Å; Q241-S244 PolarHBondContact O-N 3.06Å; Q241-S244 PolarHBondContact O-OG 3.04Å; Q241-W255 VanDerWaalsContact O-CD1 3.3Å
242	D	98.3	Very high	97.7	Very high	31 Å²	31	35.4 Å²	35.4	17%	0.166	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.8	174.3	-164.6	56.1	0	0	0	111	R256 T257	D242-R256 WeakPolarHBondContact OD1-CA 3.28Å; D242-R256 IonicContact OD1-CZ 2.9Å; D242-R256 IonicContact OD1-NE 3.88Å; D242-R256 IonicContact OD1-NH1 3.42Å; D242-R256 PolarHBondContact OD1-NH1 3.02Å; D242-R256 IonicContact OD1-NH2 3.13Å; D242-R256 IonicContact OD2-CZ 3.87Å; D242-R256 VanDerWaalsContact OD2-CZ 3.22Å; D242-R256 IonicContact OD2-NH1 3.27Å; D242-R256 PolarHBondContact OD2-NH1 3.09Å; D242-R256 IonicContact OD2-NH2 2.64Å; D242-R256 PolarHBondContact OD2-NH2 3.28Å; D242-T257 HydrophobicContact CB-CG2 3.85Å; D242-T257 WeakPolarHBondContact CB-OG1 3.38Å; D242-T257 VanDerWaalsContact CG-OG1 3.3Å; D242-T257 PolarHBondContact OD1-N 3.17Å; D242-T257 PolarHBondContact OD1-OG1 2.89Å
243	G	98.2	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	3.5	-176.1	0	0	0	0	0	116.2	P195 Q241 L245 L254 W255	P195-G243 WeakPolarHBondContact CD-O 3.45Å; Q241-G243 PolarHBondContact O-N 2.87Å; G243-L245 PolarHBondContact O-N 3.47Å; G243-L254 WeakPolarHBondContact O-CD1 3.33Å; G243-W255 WeakPolarHBondContact CA-O 3.49Å; G243-W255 PolarHBondContact N-O 3.13Å
244	S	98.8	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.			trans	-59.5	132.1	177.5	-59	0	0	0	0	111.3	M193 H194 Q241 W255	M193-S244 WeakPolarHBondContact O-CA 3.43Å; H194-S244 PolarHBondContact CE1-OG 2.96Å; H194-S244 PolarHBondContact ND1-OG 3.47Å; Q241-S244 PolarHBondContact N-OG 3.23Å; Q241-S244 WeakPolarHBondContact O-CB 3.3Å; Q241-S244 PolarHBondContact O-N 3.06Å; Q241-S244 PolarHBondContact O-OG 3.04Å; S244-W255 PolarHBondContact O-N 2.9Å
245	L	98.8	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.4	171.5	-61.6	-177.6	0	0	0	110.4	L25 V192 M193 W208 G243 T252 L253 L254 W381 I384 L386	L25-L245 HydrophobicContact CD1-CD2 4.43Å; V192-L245 CarbonylContact C-O 3.56Å; V192-L245 WeakPolarHBondContact CA-O 3.21Å; M193-L245 HydrophobicContact CB-CB 4.46Å; M193-L245 HydrophobicContact CE-CD1 3.6Å; M193-L245 HydrophobicContact CE-CG 4.12Å; M193-L245 PolarHBondContact N-O 3.31Å; M193-L245 PolarHBondContact O-N 2.74Å; W208-L245 HydrophobicContact CH2-CB 3.54Å; W208-L245 HydrophobicContact CH2-CD1 4.46Å; W208-L245 HydrophobicContact CZ2-CB 4.07Å; W208-L245 HydrophobicContact CZ2-CD1 4.2Å; W208-L245 HydrophobicContact CZ3-CB 4.27Å; G243-L245 PolarHBondContact O-N 3.47Å; L245-T252 HydrophobicContact CB-CG2 4.27Å; L245-T252 HydrophobicContact CD2-CG2 4.44Å; L245-L253 CarbonylContact C-O 3.59Å; L245-L253 WeakPolarHBondContact CA-O 3.42Å; L245-L254 HydrophobicContact CD2-CB 4.22Å; L245-L254 HydrophobicContact CD2-CD1 3.67Å; L245-W381 HydrophobicContact CD1-CZ3 4.22Å; L245-W381 HydrophobicContact CD2-CH2 3.95Å; L245-W381 HydrophobicContact CD2-CZ3 4.17Å; L245-I384 HydrophobicContact CD1-CG2 3.59Å; L245-L386 HydrophobicContact CD1-CD2 3.84Å
246	I	98.9	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.9	-180	-57.7	158.6	0	0	0	107.7	L22 I143 I155 V190 L191 V192 L240 L248 T252 L253 W255	L22-I246 HydrophobicContact CD2-CD1 3.79Å; I143-I246 HydrophobicContact CD1-CD1 4.36Å; I155-I246 HydrophobicContact CD1-CB 4.3Å; I155-I246 HydrophobicContact CD1-CD1 3.86Å; I155-I246 HydrophobicContact CD1-CG1 3.83Å; I155-I246 HydrophobicContact CD1-CG2 3.46Å; I155-I246 VanDerWaalsContact CD1-CG2 3.46Å; V190-I246 HydrophobicContact CG1-CG2 4.09Å; L191-I246 CarbonylContact O-C 3.53Å; L191-I246 WeakPolarHBondContact O-CA 3.45Å; V192-I246 HydrophobicContact CG2-CG1 4.33Å; L240-I246 HydrophobicContact CD1-CD1 4.05Å; L240-I246 HydrophobicContact CD2-CD1 4.02Å; L240-I246 HydrophobicContact CD2-CG1 4.12Å; I246-L248 HydrophobicContact CG2-CD2 3.78Å; I246-L248 HydrophobicContact CG2-CG 4.32Å; I246-T252 CarbonylContact O-C 3.56Å; I246-T252 WeakPolarHBondContact O-CA 3.37Å; I246-L253 HydrophobicContact CB-CB 4.32Å; I246-L253 PolarHBondContact N-O 2.96Å; I246-L253 PolarHBondContact O-N 3.24Å; I246-W255 HydrophobicContact CD1-CB 4.41Å
247	D	98.6	Very high	98	Very high	5 Å²	5	18 Å²	18	3%	0.027	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124	175.1	-178.6	-85.3	0	0	0	111.2	L191 W208 R224 C249 T252 P387	L191-D247 HydrophobicContact CB-CB 4.16Å; L191-D247 PolarHBondContact N-O 3.32Å; L191-D247 PolarHBondContact O-N 3.37Å; W208-D247 HydrophobicContact CH2-CB 3.97Å; W208-D247 HydrophobicContact CZ3-CB 3.82Å; R224-D247 IonicContact CZ-OD1 3.87Å; R224-D247 IonicContact NH1-OD1 2.96Å; R224-D247 PolarHBondContact NH1-OD1 2.8Å; R224-D247 IonicContact NH2-OD1 3.44Å; R224-D247 PolarHBondContact NH2-OD1 2.8Å; D247-C249 WeakPolarHBondContact OD1-CA 3.49Å; D247-C249 PolarHBondContact OD1-N 3.47Å; D247-T252 PolarHBondContact OD2-OG1 2.92Å; D247-P387 HydrophobicContact CB-CG 3.87Å
248	L	98.2	Very high	97.9	Very high	4 Å²	4	16 Å²	16	2%	0.021	10%	0.098	C	C	.	.			trans	-103.8	20.5	-178.4	-58.9	-175.4	0	0	0	113.2	V104 I136 A140 C141 V190 I246 A251 L253	V104-L248 HydrophobicContact CB-CD1 4.39Å; V104-L248 HydrophobicContact CG1-CD1 3.71Å; I136-L248 HydrophobicContact CG2-CB 4.4Å; A140-L248 HydrophobicContact CB-CD1 4.26Å; A140-L248 HydrophobicContact CB-CD2 4.16Å; C141-L248 HydrophobicContact CB-CD2 4.24Å; V190-L248 HydrophobicContact CG1-CD2 4.06Å; V190-L248 HydrophobicContact CG2-CD2 4.22Å; I246-L248 HydrophobicContact CG2-CD2 3.78Å; I246-L248 HydrophobicContact CG2-CG 4.32Å; L248-A251 PolarHBondContact N-O 3.01Å; L248-L253 HydrophobicContact CD1-CD1 3.77Å; L248-L253 HydrophobicContact CD1-CG 4.33Å; L248-L253 HydrophobicContact CG-CD1 4.48Å
249	C	95.5	Very high	97.8	Very high	18 Å²	18	20.3 Å²	20.3	12%	0.122	12%	0.122	C	C	.	.	S	Bend	trans	57.5	71.4	-176.2	-166.6	0	0	0	0	110.8	T135 I136 N188 D247	T135-C249 CarbonylContact C-O 3.55Å; T135-C249 WeakPolarHBondContact CB-O 3.45Å; T135-C249 PolarHBondContact OG1-O 2.7Å; I136-C249 WeakPolarHBondContact CG1-O 3.49Å; I136-C249 PolarHBondContact N-O 3.13Å; N188-C249 HydrophobicContact CB-CB 3.97Å; D247-C249 WeakPolarHBondContact OD1-CA 3.49Å; D247-C249 PolarHBondContact OD1-N 3.47Å
250	G	94	Very high	97.6	Very high	29 Å²	29	18.8 Å²	18.8	30%	0.299	11%	0.113	S	C	.	.	S	Bend	trans	134.5	-22.6	179.8	0	0	0	0	0	113.1	D118 T119	D118-G250 CarbonylContact C-O 3.55Å; D118-G250 WeakPolarHBondContact CA-O 3.44Å; T119-G250 PolarHBondContact N-O 3.42Å
251	A	96.1	Very high	97.3	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.017	12%	0.122	C	C	.	.			trans	-143.9	145.2	169.4	0	0	0	0	0	110.2	V116 I136 L248	V116-A251 HydrophobicContact CG1-CB 3.51Å; I136-A251 HydrophobicContact CD1-CB 3.7Å; L248-A251 PolarHBondContact N-O 3.01Å
252	T	98.3	Very high	96.9	Very high	14 Å²	14	24 Å²	24	9%	0.086	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134	171.7	-51.5	0	0	0	0	109.7	L25 W208 L245 I246 D247 L386	L25-T252 HydrophobicContact CD1-CG2 4.47Å; L25-T252 HydrophobicContact CD2-CG2 4.08Å; L25-T252 PolarHBondContact N-O 2.48Å; W208-T252 HydrophobicContact CH2-CG2 4.31Å; L245-T252 HydrophobicContact CB-CG2 4.27Å; L245-T252 HydrophobicContact CD2-CG2 4.44Å; I246-T252 CarbonylContact O-C 3.56Å; I246-T252 WeakPolarHBondContact O-CA 3.37Å; D247-T252 PolarHBondContact OD2-OG1 2.92Å; T252-L386 HydrophobicContact CG2-CD2 4.12Å
253	L	98.7	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.1	175.9	-48.8	-179.8	0	0	0	109.8	L22 V23 V24 V104 F114 V116 L245 I246 L248	L22-L253 HydrophobicContact CD1-CD1 4.39Å; L22-L253 HydrophobicContact CD2-CB 4.38Å; L22-L253 HydrophobicContact CD2-CD1 4.43Å; V23-L253 CarbonylContact O-C 3.58Å; V23-L253 VanDerWaalsContact O-CA 3.31Å; V23-L253 WeakPolarHBondContact O-CA 3.16Å; V24-L253 HydrophobicContact CB-CD2 4.15Å; V24-L253 HydrophobicContact CG1-CD2 4.21Å; V24-L253 HydrophobicContact CG2-CD2 3.7Å; V104-L253 HydrophobicContact CG1-CD1 4.02Å; F114-L253 HydrophobicContact CE1-CD1 4.47Å; F114-L253 HydrophobicContact CE1-CD2 4.32Å; V116-L253 HydrophobicContact CG1-CD2 4.36Å; V116-L253 HydrophobicContact CG2-CD2 4.21Å; L245-L253 CarbonylContact C-O 3.59Å; L245-L253 WeakPolarHBondContact CA-O 3.42Å; I246-L253 HydrophobicContact CB-CB 4.32Å; I246-L253 PolarHBondContact N-O 2.96Å; I246-L253 PolarHBondContact O-N 3.24Å; L248-L253 HydrophobicContact CD1-CD1 3.77Å; L248-L253 HydrophobicContact CD1-CG 4.33Å; L248-L253 HydrophobicContact CG-CD1 4.48Å
254	L	98.8	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	165.7	178.5	66.1	0	0	0	109.2	L22 V23 L25 F199 G243 L245 R256 G354 F355 W381	L22-L254 CarbonylContact C-O 3.56Å; L22-L254 WeakPolarHBondContact CA-O 2.96Å; V23-L254 HydrophobicContact CB-CB 4.36Å; V23-L254 PolarHBondContact N-O 2.87Å; V23-L254 PolarHBondContact O-N 3.03Å; L25-L254 HydrophobicContact CD1-CB 3.84Å; F199-L254 HydrophobicContact CE2-CD1 4.11Å; F199-L254 HydrophobicContact CZ-CD1 4.46Å; F199-L254 HydrophobicContact CZ-CD2 4.15Å; G243-L254 WeakPolarHBondContact O-CD1 3.33Å; L245-L254 HydrophobicContact CD2-CB 4.22Å; L245-L254 HydrophobicContact CD2-CD1 3.67Å; L254-R256 HydrophobicContact CD2-CG 4.15Å; L254-R256 HydrophobicContact CG-CG 4.21Å; L254-G354 WeakPolarHBondContact CD2-O 3.36Å; L254-F355 HydrophobicContact CB-CE1 4.29Å; L254-F355 HydrophobicContact CD2-CD1 3.59Å; L254-F355 HydrophobicContact CD2-CE1 3.96Å; L254-W381 HydrophobicContact CD2-CZ2 4.47Å
255	W	98.8	Very high	95.8	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.3	165.3	172	-103.9	0	0	0	110.1	L22 L45 A153 L240 Q241 G243 S244 I246	L22-W255 HydrophobicContact CD2-CB 4.29Å; L22-W255 HydrophobicContact CD2-CE3 3.89Å; L22-W255 HydrophobicContact CG-CE3 4.13Å; L45-W255 HydrophobicContact CD1-CZ3 4.1Å; L45-W255 HydrophobicContact CD2-CH2 4.36Å; L45-W255 HydrophobicContact CD2-CZ3 3.97Å; L45-W255 HydrophobicContact CG-CZ3 4.49Å; A153-W255 HydrophobicContact CB-CH2 3.91Å; A153-W255 HydrophobicContact CB-CZ2 3.44Å; A153-W255 VanDerWaalsContact CB-CZ2 3.44Å; L240-W255 HydrophobicContact CB-CD2 4.36Å; L240-W255 HydrophobicContact CB-CG 3.95Å; L240-W255 HydrophobicContact CD1-CB 4.33Å; L240-W255 HydrophobicContact CD1-CD2 4.03Å; L240-W255 HydrophobicContact CD1-CE3 4.41Å; L240-W255 HydrophobicContact CD1-CG 3.99Å; L240-W255 HydrophobicContact CG-CG 4.49Å; Q241-W255 VanDerWaalsContact O-CD1 3.3Å; G243-W255 WeakPolarHBondContact CA-O 3.49Å; G243-W255 PolarHBondContact N-O 3.13Å; S244-W255 PolarHBondContact O-N 2.9Å; I246-W255 HydrophobicContact CD1-CB 4.41Å
256	R	98.4	Very high	95.5	Very high	6 Å²	6	34.1 Å²	34.1	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	168.2	-58.5	-69.3	-64	147	6.8	108.7	G20 E21 F199 D242 L254 G260 L261 T264 G354	G20-R256 CarbonylContact C-O 3.44Å; G20-R256 WeakPolarHBondContact CA-O 3.41Å; E21-R256 PolarHBondContact N-O 3.37Å; E21-R256 PolarHBondContact O-N 2.6Å; F199-R256 VanDerWaalsContact CG-NH1 3.3Å; D242-R256 WeakPolarHBondContact OD1-CA 3.28Å; D242-R256 IonicContact OD1-CZ 2.9Å; D242-R256 IonicContact OD1-NE 3.88Å; D242-R256 IonicContact OD1-NH1 3.42Å; D242-R256 PolarHBondContact OD1-NH1 3.02Å; D242-R256 IonicContact OD1-NH2 3.13Å; D242-R256 IonicContact OD2-CZ 3.87Å; D242-R256 VanDerWaalsContact OD2-CZ 3.22Å; D242-R256 IonicContact OD2-NH1 3.27Å; D242-R256 PolarHBondContact OD2-NH1 3.09Å; D242-R256 IonicContact OD2-NH2 2.64Å; D242-R256 PolarHBondContact OD2-NH2 3.28Å; L254-R256 HydrophobicContact CD2-CG 4.15Å; L254-R256 HydrophobicContact CG-CG 4.21Å; R256-G260 PolarHBondContact NH2-O 2.89Å; R256-L261 HydrophobicContact CB-CD1 4.12Å; R256-L261 HydrophobicContact CB-CD2 3.49Å; R256-L261 VanDerWaalsContact CB-CD2 3.49Å; R256-L261 HydrophobicContact CB-CG 3.57Å; R256-L261 HydrophobicContact CG-CD2 3.8Å; R256-L261 HydrophobicContact CG-CG 4.43Å; R256-T264 PolarHBondContact NH2-OG1 3.39Å; R256-G354 WeakPolarHBondContact CD-O 3.22Å
257	T	98.3	Very high	95.2	Very high	33 Å²	33	37.3 Å²	37.3	20%	0.202	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	157.9	170	59.2	0	0	0	0	110	D242 D259 G260 L261	D242-T257 HydrophobicContact CB-CG2 3.85Å; D242-T257 WeakPolarHBondContact CB-OG1 3.38Å; D242-T257 VanDerWaalsContact CG-OG1 3.3Å; D242-T257 PolarHBondContact OD1-N 3.17Å; D242-T257 PolarHBondContact OD1-OG1 2.89Å; T257-D259 PolarHBondContact O-N 3.14Å; T257-G260 PolarHBondContact O-N 3.22Å; T257-G260 PolarHBondContact OG1-N 2.78Å; T257-L261 VanDerWaalsContact O-CG 3.31Å; T257-L261 WeakPolarHBondContact O-CG 3.39Å; T257-L261 PolarHBondContact O-N 3.02Å
258	A	96.1	Very high	94.9	Very high	37 Å²	37	45.6 Å²	45.6	31%	0.306	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-39	174.6	0	0	0	0	0	112.4	K18 Y19 L261 F262	K18-A258 HydrophobicContact CB-CB 4.46Å; K18-A258 WeakPolarHBondContact O-CB 3.4Å; Y19-A258 PolarHBondContact O-N 3.14Å; A258-L261 PolarHBondContact O-N 3.04Å; A258-F262 PolarHBondContact O-N 2.83Å
259	D	94.9	Very high	94.7	Very high	108 Å²	108	48.5 Å²	48.5	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-66.1	-45.4	175.6	-177	73.6	0	0	0	112.2	T257 L261 F262 H263	T257-D259 PolarHBondContact O-N 3.14Å; D259-L261 VanDerWaalsContact C-N 3.32Å; D259-L261 PolarHBondContact O-N 3.25Å; D259-F262 WeakPolarHBondContact O-CB 3.45Å; D259-F262 PolarHBondContact O-N 2.85Å; D259-F262 VanDerWaalsContact O-N 3.09Å; D259-H263 PolarHBondContact O-N 3.23Å; D259-H263 PolarHBondContact O-ND1 2.61Å; D259-H263 IonicContact OD1-CE1 2.6Å; D259-H263 PolarHBondContact OD1-CE1 2.68Å; D259-H263 IonicContact OD1-ND1 3.56Å; D259-H263 IonicContact OD2-CE1 3.75Å; D259-H263 IonicContact OD2-ND1 3.57Å
260	G	94.4	Very high	94.6	Very high	5 Å²	5	47.8 Å²	47.8	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-41.7	175	0	0	0	0	0	112.5	R256 T257 F262 H263 T264	R256-G260 PolarHBondContact NH2-O 2.89Å; T257-G260 PolarHBondContact O-N 3.22Å; T257-G260 PolarHBondContact OG1-N 2.78Å; G260-F262 VanDerWaalsContact C-N 3.25Å; G260-F262 PolarHBondContact O-N 3.37Å; G260-H263 PolarHBondContact O-N 2.75Å; G260-T264 PolarHBondContact O-N 2.97Å; G260-T264 PolarHBondContact O-OG1 2.97Å
261	L	92.5	Very high	94.7	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-30.5	176	-70.5	169.4	0	0	0	113.1	E21 R256 T257 A258 D259 H263	E21-L261 HydrophobicContact CB-CD1 3.59Å; R256-L261 HydrophobicContact CB-CD1 4.12Å; R256-L261 HydrophobicContact CB-CD2 3.49Å; R256-L261 VanDerWaalsContact CB-CD2 3.49Å; R256-L261 HydrophobicContact CB-CG 3.57Å; R256-L261 HydrophobicContact CG-CD2 3.8Å; R256-L261 HydrophobicContact CG-CG 4.43Å; T257-L261 VanDerWaalsContact O-CG 3.31Å; T257-L261 WeakPolarHBondContact O-CG 3.39Å; T257-L261 PolarHBondContact O-N 3.02Å; A258-L261 PolarHBondContact O-N 3.04Å; D259-L261 VanDerWaalsContact C-N 3.32Å; D259-L261 PolarHBondContact O-N 3.25Å; L261-H263 VanDerWaalsContact C-N 3.28Å
262	F	91.1	Very high	94.6	Very high	168 Å²	168	49.9 Å²	49.9	74%	0.737	26%	0.257	S	S	*	.	H	α-helix	trans	-66.9	-33.2	177.1	-177.3	-97.1	0	0	0	111.8	A258 D259 G260	A258-F262 PolarHBondContact O-N 2.83Å; D259-F262 WeakPolarHBondContact O-CB 3.45Å; D259-F262 PolarHBondContact O-N 2.85Å; D259-F262 VanDerWaalsContact O-N 3.09Å; G260-F262 VanDerWaalsContact C-N 3.25Å; G260-F262 PolarHBondContact O-N 3.37Å
263	H	90.1	Very high	94.5	Very high	132 Å²	132	50.1 Å²	50.1	61%	0.611	26%	0.258	S	S	*	.	H	α-helix	trans	-92.9	-10.1	179.8	-60.3	99.4	0	0	0	113.9	D259 G260 L261	D259-H263 PolarHBondContact O-N 3.23Å; D259-H263 PolarHBondContact O-ND1 2.61Å; D259-H263 IonicContact OD1-CE1 2.6Å; D259-H263 PolarHBondContact OD1-CE1 2.68Å; D259-H263 IonicContact OD1-ND1 3.56Å; D259-H263 IonicContact OD2-CE1 3.75Å; D259-H263 IonicContact OD2-ND1 3.57Å; G260-H263 PolarHBondContact O-N 2.75Å; L261-H263 VanDerWaalsContact C-N 3.28Å
264	T	90.1	Very high	94.3	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.098	26%	0.263	C	S	.	.	S	Bend	trans	-70.6	146.6	176.1	-64.4	0	0	0	0	111.5	R256 G260 T266 A353	R256-T264 PolarHBondContact NH2-OG1 3.39Å; G260-T264 PolarHBondContact O-N 2.97Å; G260-T264 PolarHBondContact O-OG1 2.97Å; T264-T266 PolarHBondContact O-N 3.35Å; T264-A353 HydrophobicContact CG2-CB 4.22Å; T264-A353 WeakPolarHBondContact CG2-O 3.27Å
265	P	92.1	Very high	94.1	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.091	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-51.1	139.5	169.4	-27.1	34.3	0	0	0	112.8	H269 A353 Y356 D358 A359	P265-H269 HydrophobicContact CB-CB 4.48Å; P265-A353 WeakPolarHBondContact O-CB 3.45Å; P265-Y356 HydrophobicContact CG-CG 4.41Å; P265-D358 WeakPolarHBondContact CG-O 3.12Å; P265-A359 HydrophobicContact CG-CB 3.98Å
266	T	92.7	Very high	94	Very high	82 Å²	82	62.3 Å²	62.3	50%	0.503	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-83.1	161.5	175.6	69.2	0	0	0	0	111.4	T264 K268 H269 I270	T264-T266 PolarHBondContact O-N 3.35Å; T266-K268 PolarHBondContact O-N 2.79Å; T266-K268 PolarHBondContact OG1-N 2.87Å; T266-H269 WeakPolarHBondContact O-CA 3.21Å; T266-H269 VanDerWaalsContact O-CB 3.29Å; T266-H269 WeakPolarHBondContact O-CB 3.1Å; T266-H269 PolarHBondContact O-N 3.44Å; T266-H269 PolarHBondContact OG1-N 3.07Å; T266-I270 PolarHBondContact O-N 2.99Å; T266-I270 VanDerWaalsContact O-N 3.11Å
267	Q	91.3	Very high	93.7	Very high	66 Å²	66	63 Å²	63	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-55.3	-34.6	170.1	-69.9	-64.1	-28.3	0	0	112.6	H269 I270 E271 C351	Q267-H269 VanDerWaalsContact C-N 3.34Å; Q267-I270 PolarHBondContact O-N 3.38Å; Q267-E271 WeakPolarHBondContact O-CB 3.34Å; Q267-E271 PolarHBondContact O-N 2.71Å; Q267-C351 PolarHBondContact NE2-O 2.66Å; Q267-C351 PolarHBondContact OE1-O 3.41Å
268	K	92.9	Very high	93.6	Very high	179 Å²	179	62.9 Å²	62.9	78%	0.778	32%	0.315	S	S	*	.	H	α-helix	trans	-66.7	-36.2	175.6	-67.2	-178.1	178.8	178.5	0	112	T266 E271 A272	T266-K268 PolarHBondContact O-N 2.79Å; T266-K268 PolarHBondContact OG1-N 2.87Å; K268-E271 PolarHBondContact O-N 3.32Å; K268-A272 WeakPolarHBondContact O-CB 3.41Å; K268-A272 PolarHBondContact O-N 3.37Å
269	H	94	Very high	93.5	Very high	65 Å²	65	64.8 Å²	64.8	30%	0.301	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-47.7	175.3	-175.9	74.9	0	0	0	111.4	P265 T266 Q267 E271 A272 L273 A359	P265-H269 HydrophobicContact CB-CB 4.48Å; T266-H269 WeakPolarHBondContact O-CA 3.21Å; T266-H269 VanDerWaalsContact O-CB 3.29Å; T266-H269 WeakPolarHBondContact O-CB 3.1Å; T266-H269 PolarHBondContact O-N 3.44Å; T266-H269 PolarHBondContact OG1-N 3.07Å; Q267-H269 VanDerWaalsContact C-N 3.34Å; H269-E271 VanDerWaalsContact C-N 3.29Å; H269-E271 PolarHBondContact O-N 2.98Å; H269-A272 WeakPolarHBondContact O-CB 3.22Å; H269-A272 PolarHBondContact O-N 2.84Å; H269-A272 VanDerWaalsContact O-N 3.09Å; H269-L273 WeakPolarHBondContact NE2-CD1 3.36Å; H269-L273 PolarHBondContact O-N 3.31Å; H269-A359 PolarHBondContact NE2-O 3.33Å
270	I	94.1	Very high	93.4	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-41.9	177.4	-61.1	172.4	0	0	0	110.7	T266 Q267 L273 R274 I296 A353 Y356	T266-I270 PolarHBondContact O-N 2.99Å; T266-I270 VanDerWaalsContact O-N 3.11Å; Q267-I270 PolarHBondContact O-N 3.38Å; I270-L273 PolarHBondContact O-N 3.45Å; I270-R274 PolarHBondContact O-N 3.04Å; I270-I296 HydrophobicContact CB-CD1 4.46Å; I270-I296 HydrophobicContact CG2-CD1 3.95Å; I270-A353 HydrophobicContact CD1-CB 4.02Å; I270-Y356 HydrophobicContact CD1-CD2 4.16Å; I270-Y356 HydrophobicContact CD1-CE2 3.72Å; I270-Y356 HydrophobicContact CG1-CE2 4.43Å
271	E	94.2	Very high	93.3	Very high	38 Å²	38	68.7 Å²	68.7	18%	0.178	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-36.1	174.9	177.6	54.5	-156.3	0	0	112.7	Q267 K268 H269 R274 Q275 I296	Q267-E271 WeakPolarHBondContact O-CB 3.34Å; Q267-E271 PolarHBondContact O-N 2.71Å; K268-E271 PolarHBondContact O-N 3.32Å; H269-E271 VanDerWaalsContact C-N 3.29Å; H269-E271 PolarHBondContact O-N 2.98Å; E271-R274 VanDerWaalsContact CD-NE 3.33Å; E271-R274 WeakPolarHBondContact O-CB 3.2Å; E271-R274 PolarHBondContact O-N 3.34Å; E271-R274 IonicContact OE1-CZ 3.33Å; E271-R274 IonicContact OE1-NE 3.8Å; E271-R274 PolarHBondContact OE1-NE 3.4Å; E271-R274 VanDerWaalsContact OE1-NE 3.16Å; E271-R274 IonicContact OE1-NH2 2.67Å; E271-R274 PolarHBondContact OE1-NH2 2.82Å; E271-R274 IonicContact OE2-CZ 3.75Å; E271-R274 IonicContact OE2-NE 2.69Å; E271-R274 PolarHBondContact OE2-NE 2.9Å; E271-R274 IonicContact OE2-NH2 3.83Å; E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.43Å; E271-Q275 PolarHBondContact O-N 3.18Å; E271-Q275 PolarHBondContact OE1-NE2 2.98Å; E271-I296 HydrophobicContact CB-CD1 3.98Å
272	A	95.3	Very high	93.4	Very high	36 Å²	36	66.8 Å²	66.8	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-47.2	174.6	0	0	0	0	0	111.5	K268 H269 R274 Q275 E276	K268-A272 WeakPolarHBondContact O-CB 3.41Å; K268-A272 PolarHBondContact O-N 3.37Å; H269-A272 WeakPolarHBondContact O-CB 3.22Å; H269-A272 PolarHBondContact O-N 2.84Å; H269-A272 VanDerWaalsContact O-N 3.09Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 3.14Å; A272-Q275 WeakPolarHBondContact O-CA 3.46Å; A272-Q275 WeakPolarHBondContact O-CB 3.2Å; A272-Q275 PolarHBondContact O-N 2.93Å; A272-E276 WeakPolarHBondContact O-CG 3.45Å; A272-E276 PolarHBondContact O-N 3.11Å
273	L	95.2	Very high	93.4	Very high	20 Å²	20	61.8 Å²	61.8	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-39.1	175.3	-69.1	174.9	0	0	0	112.1	H269 I270 E276 I277 G360 P362	H269-L273 WeakPolarHBondContact NE2-CD1 3.36Å; H269-L273 PolarHBondContact O-N 3.31Å; I270-L273 PolarHBondContact O-N 3.45Å; L273-E276 PolarHBondContact O-N 3.21Å; L273-I277 WeakPolarHBondContact O-CG1 3.37Å; L273-I277 PolarHBondContact O-N 2.49Å; L273-I277 VanDerWaalsContact O-N 3.13Å; L273-G360 WeakPolarHBondContact CD1-O 3.23Å; L273-P362 HydrophobicContact CB-CG 4.46Å
274	R	94.9	Very high	93.5	Very high	30 Å²	30	55.7 Å²	55.7	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-46.5	172.7	-175	-167.1	75.2	77.5	10.4	111.8	I270 E271 A272 E276 I277 N278 F293 P294 L349	I270-R274 PolarHBondContact O-N 3.04Å; E271-R274 VanDerWaalsContact CD-NE 3.33Å; E271-R274 WeakPolarHBondContact O-CB 3.2Å; E271-R274 PolarHBondContact O-N 3.34Å; E271-R274 IonicContact OE1-CZ 3.33Å; E271-R274 IonicContact OE1-NE 3.8Å; E271-R274 PolarHBondContact OE1-NE 3.4Å; E271-R274 VanDerWaalsContact OE1-NE 3.16Å; E271-R274 IonicContact OE1-NH2 2.67Å; E271-R274 PolarHBondContact OE1-NH2 2.82Å; E271-R274 IonicContact OE2-CZ 3.75Å; E271-R274 IonicContact OE2-NE 2.69Å; E271-R274 PolarHBondContact OE2-NE 2.9Å; E271-R274 IonicContact OE2-NH2 3.83Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 3.14Å; R274-E276 VanDerWaalsContact C-N 3.33Å; R274-I277 PolarHBondContact O-N 3.43Å; R274-N278 PolarHBondContact NH1-ND2 3.21Å; R274-N278 PolarHBondContact O-N 3.18Å; R274-F293 HydrophobicContact CG-CB 3.85Å; R274-F293 PolarHBondContact NH1-O 2.95Å; R274-P294 VanDerWaalsContact CD-O 3.25Å; R274-P294 WeakPolarHBondContact CD-O 3.35Å; R274-L349 HydrophobicContact CB-CD1 3.45Å; R274-L349 VanDerWaalsContact CB-CD1 3.45Å; R274-L349 HydrophobicContact CG-CD1 3.43Å; R274-L349 VanDerWaalsContact CG-CD1 3.43Å
275	Q	95.5	Very high	93.4	Very high	106 Å²	106	56.6 Å²	56.6	50%	0.495	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-38.9	-179.8	-72.3	174.7	11.3	0	0	111.5	E271 A272 N278 A279	E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.43Å; E271-Q275 PolarHBondContact O-N 3.18Å; E271-Q275 PolarHBondContact OE1-NE2 2.98Å; A272-Q275 WeakPolarHBondContact O-CA 3.46Å; A272-Q275 WeakPolarHBondContact O-CB 3.2Å; A272-Q275 PolarHBondContact O-N 2.93Å; Q275-N278 PolarHBondContact O-N 3.08Å; Q275-A279 WeakPolarHBondContact O-CB 3.11Å; Q275-A279 PolarHBondContact O-N 3.46Å
276	E	95.1	Very high	93.1	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	31%	0.308	S	S	*	.	H	α-helix	trans	-60.2	-47.8	175.1	-72.8	171.7	-169.7	0	0	111.7	A272 L273 R274 N278 A279 A280	A272-E276 WeakPolarHBondContact O-CG 3.45Å; A272-E276 PolarHBondContact O-N 3.11Å; L273-E276 PolarHBondContact O-N 3.21Å; R274-E276 VanDerWaalsContact C-N 3.33Å; E276-N278 VanDerWaalsContact C-N 3.35Å; E276-N278 PolarHBondContact O-N 2.63Å; E276-A279 PolarHBondContact O-N 3.07Å; E276-A280 PolarHBondContact O-N 3.03Å
277	I	93.9	Very high	92.6	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-46.8	175.7	-69.9	170.5	0	0	0	111	L273 R274 A279 A280 P282 F293 P362	L273-I277 WeakPolarHBondContact O-CG1 3.37Å; L273-I277 PolarHBondContact O-N 2.49Å; L273-I277 VanDerWaalsContact O-N 3.13Å; R274-I277 PolarHBondContact O-N 3.43Å; I277-A279 VanDerWaalsContact C-N 3.31Å; I277-A279 PolarHBondContact O-N 2.91Å; I277-A280 WeakPolarHBondContact O-CB 3.37Å; I277-A280 PolarHBondContact O-N 2.85Å; I277-P282 VanDerWaalsContact O-CD 3.3Å; I277-P282 WeakPolarHBondContact O-CD 3.49Å; I277-F293 HydrophobicContact CG2-CD2 3.87Å; I277-F293 HydrophobicContact CG2-CE2 3.96Å; I277-P362 HydrophobicContact CD1-CG 3.38Å
278	N	94.6	Very high	92.2	Very high	31 Å²	31	61.2 Å²	61.2	17%	0.166	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-34.7	179.6	-73.4	-0.7	0	0	0	112.2	R274 Q275 E276 A280 R281 A292 F293	R274-N278 PolarHBondContact NH1-ND2 3.21Å; R274-N278 PolarHBondContact O-N 3.18Å; Q275-N278 PolarHBondContact O-N 3.08Å; E276-N278 VanDerWaalsContact C-N 3.35Å; E276-N278 PolarHBondContact O-N 2.63Å; N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 3.12Å; N278-R281 PolarHBondContact O-N 2.92Å; N278-A292 VanDerWaalsContact OD1-CA 3.31Å; N278-A292 WeakPolarHBondContact OD1-CA 3.27Å; N278-F293 PolarHBondContact ND2-O 3.35Å; N278-F293 PolarHBondContact OD1-N 2.9Å
279	A	94.6	Very high	92.1	Very high	78 Å²	78	55.2 Å²	55.2	65%	0.645	30%	0.304	S	S	*	.	H	α-helix	trans	-68.4	-27.9	176.9	0	0	0	0	0	112.5	Q275 E276 I277 R281	Q275-A279 WeakPolarHBondContact O-CB 3.11Å; Q275-A279 PolarHBondContact O-N 3.46Å; E276-A279 PolarHBondContact O-N 3.07Å; I277-A279 VanDerWaalsContact C-N 3.31Å; I277-A279 PolarHBondContact O-N 2.91Å; A279-R281 PolarHBondContact O-N 2.99Å
280	A	93.3	Very high	92	Very high	35 Å²	35	54 Å²	54	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.1	171.2	0	0	0	0	0	113.5	E276 I277 N278 I419	E276-A280 PolarHBondContact O-N 3.03Å; I277-A280 WeakPolarHBondContact O-CB 3.37Å; I277-A280 PolarHBondContact O-N 2.85Å; N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 3.12Å; A280-I419 HydrophobicContact CB-CD1 3.73Å; A280-I419 HydrophobicContact CB-CG1 3.35Å
281	R	93	Very high	92.1	Very high	159 Å²	159	53.8 Å²	53.8	60%	0.6	30%	0.3	S	S	*	.			trans	50.9	62.4	173.8	-60.7	-178.2	65.5	-165.1	-3.1	112.7	N278 A279 Q283 T290	N278-R281 PolarHBondContact O-N 2.92Å; A279-R281 PolarHBondContact O-N 2.99Å; R281-Q283 PolarHBondContact O-N 2.84Å; R281-Q283 PolarHBondContact O-NE2 2.91Å; R281-T290 HydrophobicContact CB-CG2 3.79Å; R281-T290 HydrophobicContact CG-CG2 4.25Å
282	P	93	Very high	92.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	30%	0.303	C	S	.	.			trans	-55.3	138.5	176	14.6	-20.5	0	0	0	110.4	I277 T290 L291 F415 I419	I277-P282 VanDerWaalsContact O-CD 3.3Å; I277-P282 WeakPolarHBondContact O-CD 3.49Å; P282-T290 CarbonylContact O-C 3.48Å; P282-T290 WeakPolarHBondContact O-CA 3.4Å; P282-L291 HydrophobicContact CB-CB 4.3Å; P282-L291 HydrophobicContact CG-CB 4.11Å; P282-L291 WeakPolarHBondContact CG-O 3.32Å; P282-L291 PolarHBondContact O-N 3.15Å; P282-F415 HydrophobicContact CB-CD1 3.56Å; P282-F415 HydrophobicContact CB-CE1 4.11Å; P282-F415 HydrophobicContact CB-CG 4.44Å; P282-F415 HydrophobicContact CG-CD1 4.26Å; P282-F415 HydrophobicContact CG-CE1 4.35Å; P282-I419 HydrophobicContact CB-CD1 3.55Å; P282-I419 HydrophobicContact CG-CD1 3.74Å
283	Q	92.5	Very high	91.9	Very high	63 Å²	63	51.8 Å²	51.8	29%	0.294	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-105.2	142.8	178.4	-59.6	-55.3	-50.3	0	0	111	R281 P285 T290 Q416	R281-Q283 PolarHBondContact O-N 2.84Å; R281-Q283 PolarHBondContact O-NE2 2.91Å; Q283-P285 VanDerWaalsContact O-CD 3.28Å; Q283-P285 WeakPolarHBondContact O-CD 3.34Å; Q283-T290 PolarHBondContact NE2-OG1 2.92Å; Q283-T290 PolarHBondContact OE1-OG1 2.79Å; Q283-Q416 PolarHBondContact N-O 3.4Å
284	C	91.6	Very high	91.7	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.034	29%	0.288	C	S	.	.			trans	-71	119.6	165.1	-178.2	0	0	0	0	109.2	V286 G287 L288 N289 L291 G318	C284-V286 PolarHBondContact O-N 2.83Å; C284-V286 VanDerWaalsContact O-N 3.11Å; C284-G287 PolarHBondContact SG-N 3.17Å; C284-L288 WeakPolarHBondContact O-CA 3.45Å; C284-L288 PolarHBondContact O-N 3.08Å; C284-N289 WeakPolarHBondContact CB-OD1 3.22Å; C284-N289 PolarHBondContact N-O 2.83Å; C284-L291 HydrophobicContact CB-CD1 4.48Å; C284-L291 HydrophobicContact CB-CD2 4.11Å; C284-L291 HydrophobicContact CB-CG 4.36Å; C284-G318 PolarHBondContact SG-N 2.92Å
285	P	87.4	Confident	91.1	Very high	34 Å²	34	52.1 Å²	52.1	22%	0.221	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.6	-179.2	3.8	-16.5	0	0	0	114.7	Q283 M337 Q416	Q283-P285 VanDerWaalsContact O-CD 3.28Å; Q283-P285 WeakPolarHBondContact O-CD 3.34Å; P285-M337 HydrophobicContact CB-CE 4.49Å; P285-M337 HydrophobicContact CB-SD 3.72Å; P285-M337 HydrophobicContact CG-CG 4.42Å; P285-M337 HydrophobicContact CG-SD 4.1Å; P285-Q416 HydrophobicContact CB-CG 3.8Å; P285-Q416 HydrophobicContact CG-CB 4.44Å; P285-Q416 HydrophobicContact CG-CG 3.55Å
286	V	85.3	Confident	90.1	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.436	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-43.4	-175.7	-175.5	0	0	0	0	112.1	C284 L288 W322 P336	C284-V286 PolarHBondContact O-N 2.83Å; C284-V286 VanDerWaalsContact O-N 3.11Å; V286-L288 VanDerWaalsContact C-N 3.32Å; V286-W322 HydrophobicContact CB-CZ2 4.29Å; V286-W322 HydrophobicContact CG1-CH2 4.28Å; V286-W322 HydrophobicContact CG1-CZ2 3.78Å; V286-W322 HydrophobicContact CG2-CH2 4.29Å; V286-W322 HydrophobicContact CG2-CZ2 4.42Å; V286-P336 HydrophobicContact CG2-CB 4.13Å; V286-P336 HydrophobicContact CG2-CG 4.33Å
287	G	82.4	Confident	88.7	Confident	47 Å²	47	49.7 Å²	49.7	49%	0.485	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15	-178.3	0	0	0	0	0	114.1	C284 N289	C284-G287 PolarHBondContact SG-N 3.17Å; G287-N289 PolarHBondContact O-N 3.41Å
288	L	84.6	Confident	87.2	Confident	141 Å²	141	56.6 Å²	56.6	74%	0.738	32%	0.316	S	S	*	.			trans	53.4	20.6	-178	-54.5	178.5	0	0	0	114.1	C284 V286	C284-L288 WeakPolarHBondContact O-CA 3.45Å; C284-L288 PolarHBondContact O-N 3.08Å; V286-L288 VanDerWaalsContact C-N 3.32Å
289	N	89.4	Confident	85.7	Confident	52 Å²	52	59.5 Å²	59.5	28%	0.278	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-97.4	146.5	174.7	62.1	-50.2	0	0	0	110.6	C284 G287 L291	C284-N289 WeakPolarHBondContact CB-OD1 3.22Å; C284-N289 PolarHBondContact N-O 2.83Å; G287-N289 PolarHBondContact O-N 3.41Å; N289-L291 PolarHBondContact O-N 3.18Å
290	T	92.9	Very high	84.2	Confident	39 Å²	39	62 Å²	62	24%	0.239	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-72.9	127.7	174.2	-54.4	0	0	0	0	110	R281 P282 Q283	R281-T290 HydrophobicContact CB-CG2 3.79Å; R281-T290 HydrophobicContact CG-CG2 4.25Å; P282-T290 CarbonylContact O-C 3.48Å; P282-T290 WeakPolarHBondContact O-CA 3.4Å; Q283-T290 PolarHBondContact NE2-OG1 2.92Å; Q283-T290 PolarHBondContact OE1-OG1 2.79Å
291	L	94.8	Very high	83.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-88.1	150.7	176.9	-54.3	176.6	0	0	0	110.5	P282 C284 N289 K305 P307 V316 G318	P282-L291 HydrophobicContact CB-CB 4.3Å; P282-L291 HydrophobicContact CG-CB 4.11Å; P282-L291 WeakPolarHBondContact CG-O 3.32Å; P282-L291 PolarHBondContact O-N 3.15Å; C284-L291 HydrophobicContact CB-CD1 4.48Å; C284-L291 HydrophobicContact CB-CD2 4.11Å; C284-L291 HydrophobicContact CB-CG 4.36Å; N289-L291 PolarHBondContact O-N 3.18Å; L291-K305 CarbonylContact C-O 3.53Å; L291-K305 VanDerWaalsContact CA-O 3.26Å; L291-K305 WeakPolarHBondContact CA-O 3.48Å; L291-P307 HydrophobicContact CB-CG 4.12Å; L291-V316 HydrophobicContact CD1-CG1 3.96Å; L291-G318 VanDerWaalsContact CD2-CA 3.44Å
292	A	94	Very high	82.6	Confident	29 Å²	29	61.1 Å²	61.1	24%	0.24	33%	0.334	C	S	.	.			trans	-152.4	130.9	177.6	0	0	0	0	0	111.2	N278 K305 P307	N278-A292 VanDerWaalsContact OD1-CA 3.31Å; N278-A292 WeakPolarHBondContact OD1-CA 3.27Å; A292-K305 PolarHBondContact N-O 2.69Å; A292-P307 WeakPolarHBondContact O-CD 3.33Å
293	F	92.9	Very high	82	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.018	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.9	135.2	170.6	-80.8	-84	0	0	0	110.7	R274 I277 N278 P307 L347 L349 V372 F415	R274-F293 HydrophobicContact CG-CB 3.85Å; R274-F293 PolarHBondContact NH1-O 2.95Å; I277-F293 HydrophobicContact CG2-CD2 3.87Å; I277-F293 HydrophobicContact CG2-CE2 3.96Å; N278-F293 PolarHBondContact ND2-O 3.35Å; N278-F293 PolarHBondContact OD1-N 2.9Å; F293-P307 HydrophobicContact CD1-CG 4.46Å; F293-P307 HydrophobicContact CD2-CG 4Å; F293-P307 HydrophobicContact CE1-CG 4.39Å; F293-P307 HydrophobicContact CE2-CG 3.9Å; F293-P307 HydrophobicContact CG-CG 4.28Å; F293-P307 HydrophobicContact CZ-CB 4.42Å; F293-P307 HydrophobicContact CZ-CG 4.11Å; F293-L347 HydrophobicContact CE1-CB 3.71Å; F293-L347 HydrophobicContact CZ-CB 4.06Å; F293-L347 HydrophobicContact CZ-CD1 4.21Å; F293-L349 HydrophobicContact CB-CD1 4.38Å; F293-L349 HydrophobicContact CD1-CD1 4.46Å; F293-L349 HydrophobicContact CD1-CG 3.91Å; F293-L349 HydrophobicContact CE1-CD2 4.41Å; F293-L349 HydrophobicContact CE1-CG 4.22Å; F293-L349 HydrophobicContact CG-CD1 4.39Å; F293-L349 HydrophobicContact CG-CG 4.29Å; F293-V372 HydrophobicContact CE1-CG2 4.14Å; F293-V372 HydrophobicContact CZ-CG2 4.19Å; F293-F415 HydrophobicContact CE2-CZ 4.04Å; F293-F415 HydrophobicContact CZ-CZ 4.44Å
294	P	89.4	Confident	81.6	Confident	13 Å²	13	69 Å²	69	8%	0.084	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-64.3	157.9	176.7	28.6	-35.4	0	0	0	111.1	R274 E303 W348	R274-P294 VanDerWaalsContact CD-O 3.25Å; R274-P294 WeakPolarHBondContact CD-O 3.35Å; P294-E303 HydrophobicContact CB-CG 4.42Å; P294-W348 HydrophobicContact CG-CE3 4.46Å; P294-W348 HydrophobicContact CG-CZ3 4.31Å
295	S	82.6	Confident	81.6	Confident	43 Å²	43	74.3 Å²	74.3	30%	0.301	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63	143.2	174.2	178.1	0	0	0	0	110.9	N297 R298	S295-N297 PolarHBondContact O-N 2.86Å; S295-R298 PolarHBondContact O-N 3.31Å
296	I	74.1	Confident	81.8	Confident	31 Å²	31	72.7 Å²	72.7	16%	0.159	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27	179.6	-66.4	172.7	0	0	0	113.2	I270 E271 R298 C351	I270-I296 HydrophobicContact CB-CD1 4.46Å; I270-I296 HydrophobicContact CG2-CD1 3.95Å; E271-I296 HydrophobicContact CB-CD1 3.98Å; I296-R298 VanDerWaalsContact C-N 3.35Å; I296-C351 HydrophobicContact CG2-CB 3.88Å
297	N	66.3	Low	82.3	Confident	148 Å²	148	69.3 Å²	69.3	79%	0.791	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12	179.8	-66.7	-30	0	0	0	114.1	S295	S295-N297 PolarHBondContact O-N 2.86Å
298	R	62.6	Low	82.9	Confident	163 Å²	163	68.1 Å²	68.1	62%	0.615	34%	0.343	S	S	*	.			trans	-98.3	110	176.9	-71.9	-174.2	177.2	179.5	-2	109	S295 I296 E303	S295-R298 PolarHBondContact O-N 3.31Å; I296-R298 VanDerWaalsContact C-N 3.35Å; R298-E303 WeakPolarHBondContact CD-OE1 3.38Å; R298-E303 IonicContact CZ-OE1 3.73Å; R298-E303 IonicContact NE-OE1 3.9Å; R298-E303 IonicContact NH1-OE1 2.76Å; R298-E303 PolarHBondContact NH1-OE1 3.16Å
299	K	62.9	Low	83.5	Confident	93 Å²	93	61.4 Å²	61.4	40%	0.404	31%	0.308	S	S	.	.			trans	-101.8	143.3	-179.9	-65.1	-167.2	172.7	-155.3	0	110.8	A30 V301	A30-K299 PolarHBondContact O-NZ 3.29Å; K299-V301 PolarHBondContact O-N 2.87Å
300	E	63.8	Low	83.7	Confident	130 Å²	130	58.9 Å²	58.9	61%	0.607	30%	0.295	S	S	*	.	S	Bend	trans	69.4	-5.3	159.1	-62.4	169.6	-176.5	0	0	118.2
301	V	72.6	Confident	83.7	Confident	112 Å²	112	57.3 Å²	57.3	68%	0.679	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-102.1	118.7	172	-175.7	0	0	0	0	109.9	K299 E303	K299-V301 PolarHBondContact O-N 2.87Å; V301-E303 PolarHBondContact O-N 3.42Å
302	V	78.7	Confident	83.7	Confident	64 Å²	64	60.1 Å²	60.1	39%	0.388	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-69.5	122.9	174.2	-179.5	0	0	0	0	109.4	Q306 W308 P346 W348	V302-Q306 HydrophobicContact CG1-CB 4.34Å; V302-W308 HydrophobicContact CG1-CZ2 3.97Å; V302-P346 HydrophobicContact CG1-CB 4.47Å; V302-P346 HydrophobicContact CG2-CB 4.13Å; V302-P346 HydrophobicContact CG2-CG 4.1Å; V302-W348 HydrophobicContact CG2-CH2 4.24Å; V302-W348 HydrophobicContact CG2-CZ2 3.85Å
303	E	82.2	Confident	83.7	Confident	57 Å²	57	59.8 Å²	59.8	27%	0.266	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-86.1	150.9	174.5	-63	-171.1	177.1	0	0	111.2	P294 R298 V301 K305 Q306	P294-E303 HydrophobicContact CB-CG 4.42Å; R298-E303 WeakPolarHBondContact CD-OE1 3.38Å; R298-E303 IonicContact CZ-OE1 3.73Å; R298-E303 IonicContact NE-OE1 3.9Å; R298-E303 IonicContact NH1-OE1 2.76Å; R298-E303 PolarHBondContact NH1-OE1 3.16Å; V301-E303 PolarHBondContact O-N 3.42Å; E303-K305 PolarHBondContact O-N 2.8Å; E303-K305 VanDerWaalsContact O-N 3.15Å; E303-Q306 HydrophobicContact CB-CB 4.41Å; E303-Q306 WeakPolarHBondContact O-CB 3.22Å; E303-Q306 PolarHBondContact O-N 2.87Å
304	E	84	Confident	83.8	Confident	171 Å²	171	59.6 Å²	59.6	80%	0.799	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36	-177.9	-173	-174.4	177.5	0	0	113.2
305	K	90.1	Very high	84.1	Confident	118 Å²	118	60.4 Å²	60.4	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.6	-179.3	-63.2	-177.4	-179.3	177.4	0	113.5	L291 A292 E303	L291-K305 CarbonylContact C-O 3.53Å; L291-K305 VanDerWaalsContact CA-O 3.26Å; L291-K305 WeakPolarHBondContact CA-O 3.48Å; A292-K305 PolarHBondContact N-O 2.69Å; E303-K305 PolarHBondContact O-N 2.8Å; E303-K305 VanDerWaalsContact O-N 3.15Å
306	Q	93.1	Very high	84.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.			trans	-63.3	137	-178.4	-174	164.9	-16.8	0	0	110.2	V302 E303 L347	V302-Q306 HydrophobicContact CG1-CB 4.34Å; E303-Q306 HydrophobicContact CB-CB 4.41Å; E303-Q306 WeakPolarHBondContact O-CB 3.22Å; E303-Q306 PolarHBondContact O-N 2.87Å; Q306-L347 PolarHBondContact NE2-O 3Å
307	P	95.3	Very high	85.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.9	171.6	-20.9	31.1	0	0	0	111.4	L291 A292 F293 V316 L347	L291-P307 HydrophobicContact CB-CG 4.12Å; A292-P307 WeakPolarHBondContact O-CD 3.33Å; F293-P307 HydrophobicContact CD1-CG 4.46Å; F293-P307 HydrophobicContact CD2-CG 4Å; F293-P307 HydrophobicContact CE1-CG 4.39Å; F293-P307 HydrophobicContact CE2-CG 3.9Å; F293-P307 HydrophobicContact CG-CG 4.28Å; F293-P307 HydrophobicContact CZ-CB 4.42Å; F293-P307 HydrophobicContact CZ-CG 4.11Å; P307-V316 HydrophobicContact CB-CG1 3.78Å; P307-L347 HydrophobicContact CB-CB 4.32Å; P307-L347 HydrophobicContact CB-CD1 4.01Å; P307-L347 HydrophobicContact CB-CG 4.47Å; P307-L347 WeakPolarHBondContact O-CB 3.45Å; P307-L347 PolarHBondContact O-N 3.46Å
308	W	95.3	Very high	87	Confident	22 Å²	22	50 Å²	50	8%	0.083	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.3	168.7	-75.9	60.7	0	0	0	108.5	V302 V316 H317 Y319 Y344 V345 P346	V302-W308 HydrophobicContact CG1-CZ2 3.97Å; W308-V316 CarbonylContact O-C 3.53Å; W308-V316 WeakPolarHBondContact O-CA 3.29Å; W308-V316 WeakPolarHBondContact O-CG1 3.49Å; W308-H317 PolarHBondContact N-O 2.96Å; W308-H317 PolarHBondContact O-N 3.09Å; W308-Y319 AromaticContact CD2-CD2 3.97Å; W308-Y319 HydrophobicContact CD2-CD2 3.97Å; W308-Y319 AromaticContact CE2-CD2 3.55Å; W308-Y319 HydrophobicContact CE3-CD2 4.16Å; W308-Y319 AromaticContact CH2-CD2 3.58Å; W308-Y319 HydrophobicContact CH2-CD2 3.58Å; W308-Y319 AromaticContact CH2-CE2 3.74Å; W308-Y319 HydrophobicContact CH2-CE2 3.74Å; W308-Y319 AromaticContact CZ2-CD2 3.35Å; W308-Y319 HydrophobicContact CZ2-CD2 3.35Å; W308-Y319 AromaticContact CZ2-CE2 3.91Å; W308-Y319 HydrophobicContact CZ2-CE2 3.91Å; W308-Y319 HydrophobicContact CZ2-CG 4.21Å; W308-Y319 AromaticContact CZ3-CD2 3.99Å; W308-Y319 HydrophobicContact CZ3-CD2 3.99Å; W308-Y319 HydrophobicContact CZ3-CE2 4.22Å; W308-Y344 HydrophobicContact CB-CE1 4.07Å; W308-Y344 HydrophobicContact CB-CE2 3.68Å; W308-Y344 VanDerWaalsContact CB-CZ 3.43Å; W308-Y344 WeakPolarHBondContact CB-OH 3.16Å; W308-Y344 HydrophobicContact CD2-CD1 4.45Å; W308-Y344 AromaticContact CD2-CE1 3.97Å; W308-Y344 HydrophobicContact CD2-CE1 3.97Å; W308-Y344 AromaticContact CE3-CD1 3.47Å; W308-Y344 HydrophobicContact CE3-CD1 3.47Å; W308-Y344 VanDerWaalsContact CE3-CD1 3.47Å; W308-Y344 AromaticContact CE3-CE1 3.41Å; W308-Y344 HydrophobicContact CE3-CE1 3.41Å; W308-Y344 VanDerWaalsContact CE3-CE1 3.41Å; W308-Y344 HydrophobicContact CE3-CG 4.16Å; W308-Y344 HydrophobicContact CG-CE1 4.26Å; W308-Y344 AromaticContact CZ3-CD1 3.94Å; W308-Y344 HydrophobicContact CZ3-CD1 3.94Å; W308-Y344 HydrophobicContact CZ3-CE1 4.14Å; W308-Y344 WeakPolarHBondContact CZ3-O 3.14Å; W308-V345 CarbonylContact C-O 3.54Å; W308-V345 WeakPolarHBondContact CA-O 3.38Å; W308-P346 HydrophobicContact CD2-CB 4.09Å; W308-P346 HydrophobicContact CG-CB 4.45Å; W308-P346 HydrophobicContact CH2-CG 4.32Å; W308-P346 HydrophobicContact CZ2-CB 3.98Å; W308-P346 HydrophobicContact CZ2-CG 4.11Å
309	A	95.6	Very high	88.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.4	179.3	0	0	0	0	0	112.8	L311 H315 V316 Y344 V345 L347 L413	A309-L311 HydrophobicContact CB-CD2 3.94Å; A309-L311 PolarHBondContact O-N 3.05Å; A309-H315 WeakPolarHBondContact CA-O 3.47Å; A309-V316 HydrophobicContact CB-CG2 4.38Å; A309-Y344 WeakPolarHBondContact O-CA 3.31Å; A309-V345 PolarHBondContact N-O 3.39Å; A309-V345 PolarHBondContact O-N 2.92Å; A309-L347 HydrophobicContact CB-CD1 4.01Å; A309-L347 HydrophobicContact CB-CD2 3.8Å; A309-L347 HydrophobicContact CB-CG 4.03Å; A309-L413 HydrophobicContact CB-CD2 4.03Å
310	Y	94.8	Very high	89.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	100.8	165.3	-69.3	-92.2	0	0	0	108.7	S312 C313 G314 H315 H317 H320 R333 E334 C335 P336 P343 Y344	Y310-S312 PolarHBondContact O-N 3.12Å; Y310-S312 VanDerWaalsContact O-N 3.12Å; Y310-C313 VanDerWaalsContact CB-SG 3.53Å; Y310-C313 PolarHBondContact O-N 3.06Å; Y310-G314 PolarHBondContact O-N 3.37Å; Y310-H315 PolarHBondContact N-O 2.96Å; Y310-H315 VanDerWaalsContact N-O 3.09Å; Y310-H317 AromaticContact CD2-CD2 3.82Å; Y310-H317 AromaticContact CE2-CD2 3.67Å; Y310-H317 AromaticContact CE2-CG 3.95Å; Y310-H317 AromaticContact CE2-NE2 3.88Å; Y310-H320 AromaticContact CZ-NE2 3.73Å; Y310-H320 PolarHBondContact OH-CE1 3.4Å; Y310-H320 PolarHBondContact OH-NE2 3.26Å; Y310-R333 HydrophobicContact CE1-CB 3.67Å; Y310-E334 WeakPolarHBondContact CE1-O 3.09Å; Y310-E334 PolarHBondContact OH-O 3.26Å; Y310-C335 HydrophobicContact CD1-CB 3.84Å; Y310-C335 HydrophobicContact CD2-CB 4.23Å; Y310-C335 HydrophobicContact CE1-CB 4.14Å; Y310-C335 HydrophobicContact CG-CB 3.88Å; Y310-P336 VanDerWaalsContact OH-CD 3.28Å; Y310-P336 WeakPolarHBondContact OH-CD 3.36Å; Y310-P343 WeakPolarHBondContact CA-O 3.11Å; Y310-Y344 HydrophobicContact CD1-CD2 4.04Å; Y310-Y344 AromaticContact CD2-CD2 3.77Å; Y310-Y344 HydrophobicContact CD2-CD2 3.77Å; Y310-Y344 AromaticContact CD2-CE2 3.86Å; Y310-Y344 HydrophobicContact CD2-CE2 3.86Å; Y310-Y344 AromaticContact CE1-CD2 3.95Å; Y310-Y344 HydrophobicContact CE1-CD2 3.95Å; Y310-Y344 HydrophobicContact CE1-CG 4.41Å; Y310-Y344 AromaticContact CE2-CD2 3.64Å; Y310-Y344 HydrophobicContact CE2-CD2 3.64Å; Y310-Y344 AromaticContact CE2-CE2 3.52Å; Y310-Y344 HydrophobicContact CE2-CE2 3.52Å; Y310-Y344 AromaticContact CG-CD2 3.96Å; Y310-Y344 HydrophobicContact CG-CD2 3.96Å; Y310-Y344 AromaticContact CZ-CD2 3.73Å; Y310-Y344 AromaticContact CZ-CE2 3.92Å
311	L	93.8	Very high	90.7	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.5	-169.8	-61.5	-172.9	0	0	0	115	A309 P343 V345 L347 A365 T367 P368 I411	A309-L311 HydrophobicContact CB-CD2 3.94Å; A309-L311 PolarHBondContact O-N 3.05Å; L311-P343 PolarHBondContact N-O 3.34Å; L311-V345 HydrophobicContact CD1-CG2 3.43Å; L311-V345 VanDerWaalsContact CD1-CG2 3.43Å; L311-V345 HydrophobicContact CD2-CG2 4.3Å; L311-V345 HydrophobicContact CG-CG2 3.8Å; L311-L347 HydrophobicContact CD2-CD2 4.43Å; L311-A365 HydrophobicContact CD2-CB 4.15Å; L311-T367 HydrophobicContact CB-CG2 3.88Å; L311-T367 HydrophobicContact CD1-CG2 4.24Å; L311-P368 WeakPolarHBondContact CD1-O 3.42Å; L311-I411 HydrophobicContact CD2-CG2 4.09Å; L311-I411 VanDerWaalsContact O-CD1 3.23Å; L311-I411 WeakPolarHBondContact O-CD1 3.28Å
312	S	93.3	Very high	91.2	Very high	59 Å²	59	44 Å²	44	41%	0.413	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.9	169	-62.2	0	0	0	0	113.6	Y310 V341 G342	Y310-S312 PolarHBondContact O-N 3.12Å; Y310-S312 VanDerWaalsContact O-N 3.12Å; S312-V341 PolarHBondContact OG-O 3.42Å; S312-G342 VanDerWaalsContact OG-CA 3.25Å; S312-G342 WeakPolarHBondContact OG-CA 3.35Å
313	C	94.6	Very high	91.1	Very high	22 Å²	22	42.5 Å²	42.5	15%	0.149	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-6.5	-179.6	66.3	0	0	0	0	115.6	Y310 H315 C335 T340 I414	Y310-C313 VanDerWaalsContact CB-SG 3.53Å; Y310-C313 PolarHBondContact O-N 3.06Å; C313-H315 VanDerWaalsContact C-N 3.27Å; C313-H315 PolarHBondContact O-N 3.48Å; C313-H315 PolarHBondContact SG-ND1 3.43Å; C313-C335 VanDerWaalsContact SG-SG 3.63Å; C313-T340 HydrophobicContact CB-CG2 4.15Å; C313-I414 WeakPolarHBondContact O-CD1 3.47Å
314	G	95.6	Very high	90.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.			trans	84	-11.4	174.4	0	0	0	0	0	115.3	Y310 V316 I411 K412 L413 I414	Y310-G314 PolarHBondContact O-N 3.37Å; G314-V316 PolarHBondContact O-N 2.86Å; G314-I411 VanDerWaalsContact N-CD1 3.35Å; G314-K412 VanDerWaalsContact CA-O 3.26Å; G314-K412 WeakPolarHBondContact CA-O 3.26Å; G314-L413 WeakPolarHBondContact O-CA 3.19Å; G314-I414 PolarHBondContact O-N 3.37Å
315	H	95.9	Very high	90	Very high	30 Å²	30	43.1 Å²	43.1	14%	0.139	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-61.5	125.3	-179.4	-71.2	108.8	0	0	0	112.2	A309 Y310 C313	A309-H315 WeakPolarHBondContact CA-O 3.47Å; Y310-H315 PolarHBondContact N-O 2.96Å; Y310-H315 VanDerWaalsContact N-O 3.09Å; C313-H315 VanDerWaalsContact C-N 3.27Å; C313-H315 PolarHBondContact O-N 3.48Å; C313-H315 PolarHBondContact SG-ND1 3.43Å
316	V	96.1	Very high	88.5	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.5	-180	-176.9	0	0	0	0	111.2	L291 P307 W308 A309 G314 L347 L413 I414 F415	L291-V316 HydrophobicContact CD1-CG1 3.96Å; P307-V316 HydrophobicContact CB-CG1 3.78Å; W308-V316 CarbonylContact O-C 3.53Å; W308-V316 WeakPolarHBondContact O-CA 3.29Å; W308-V316 WeakPolarHBondContact O-CG1 3.49Å; A309-V316 HydrophobicContact CB-CG2 4.38Å; G314-V316 PolarHBondContact O-N 2.86Å; V316-L347 HydrophobicContact CG1-CD1 4.4Å; V316-L347 HydrophobicContact CG2-CD1 4.2Å; V316-L413 HydrophobicContact CG2-CB 4Å; V316-L413 HydrophobicContact CG2-CD2 4.06Å; V316-L413 HydrophobicContact CG2-CG 4.48Å; V316-I414 PolarHBondContact N-O 3.39Å; V316-F415 HydrophobicContact CB-CD1 3.93Å; V316-F415 HydrophobicContact CB-CE1 4.1Å; V316-F415 HydrophobicContact CB-CG 4.36Å; V316-F415 HydrophobicContact CG1-CD1 3.8Å; V316-F415 HydrophobicContact CG1-CE1 3.6Å; V316-F415 HydrophobicContact CG1-CZ 4.31Å; V316-F415 HydrophobicContact CG2-CD1 4.12Å; V316-F415 HydrophobicContact CG2-CD2 4.3Å; V316-F415 HydrophobicContact CG2-CE1 4.04Å; V316-F415 HydrophobicContact CG2-CE2 4.19Å; V316-F415 HydrophobicContact CG2-CG 4.27Å; V316-F415 HydrophobicContact CG2-CZ 4.06Å
317	H	94.2	Very high	86.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	170.4	-179.3	-73.7	-116.8	0	0	0	110.3	W308 Y310 Y344	W308-H317 PolarHBondContact N-O 2.96Å; W308-H317 PolarHBondContact O-N 3.09Å; Y310-H317 AromaticContact CD2-CD2 3.82Å; Y310-H317 AromaticContact CE2-CD2 3.67Å; Y310-H317 AromaticContact CE2-CG 3.95Å; Y310-H317 AromaticContact CE2-NE2 3.88Å; H317-Y344 HydrophobicContact CB-CE2 4.24Å; H317-Y344 WeakPolarHBondContact CB-OH 3.17Å
318	G	93.5	Very high	84.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	159.9	160.3	0	0	0	0	0	110.6	C284 L291 H320 Y344	C284-G318 PolarHBondContact SG-N 2.92Å; L291-G318 VanDerWaalsContact CD2-CA 3.44Å; G318-H320 PolarHBondContact O-N 3.38Å; G318-Y344 PolarHBondContact O-OH 3.5Å
319	Y	91.6	Very high	82.7	Confident	128 Å²	128	62 Å²	62	50%	0.502	32%	0.317	S	S	.	.			trans	-50.8	139.9	178.4	179.3	-107.3	0	0	0	112.2	W308	W308-Y319 AromaticContact CD2-CD2 3.97Å; W308-Y319 HydrophobicContact CD2-CD2 3.97Å; W308-Y319 AromaticContact CE2-CD2 3.55Å; W308-Y319 HydrophobicContact CE3-CD2 4.16Å; W308-Y319 AromaticContact CH2-CD2 3.58Å; W308-Y319 HydrophobicContact CH2-CD2 3.58Å; W308-Y319 AromaticContact CH2-CE2 3.74Å; W308-Y319 HydrophobicContact CH2-CE2 3.74Å; W308-Y319 AromaticContact CZ2-CD2 3.35Å; W308-Y319 HydrophobicContact CZ2-CD2 3.35Å; W308-Y319 AromaticContact CZ2-CE2 3.91Å; W308-Y319 HydrophobicContact CZ2-CE2 3.91Å; W308-Y319 HydrophobicContact CZ2-CG 4.21Å; W308-Y319 AromaticContact CZ3-CD2 3.99Å; W308-Y319 HydrophobicContact CZ3-CD2 3.99Å; W308-Y319 HydrophobicContact CZ3-CE2 4.22Å
320	H	88.8	Confident	81.1	Confident	16 Å²	16	64.4 Å²	64.4	7%	0.074	34%	0.338	C	S	.	.			trans	-145.2	175.5	169.5	65.1	80.3	0	0	0	109.1	Y310 G318 W322 R333 Y344	Y310-H320 AromaticContact CZ-NE2 3.73Å; Y310-H320 PolarHBondContact OH-CE1 3.4Å; Y310-H320 PolarHBondContact OH-NE2 3.26Å; G318-H320 PolarHBondContact O-N 3.38Å; H320-W322 HydrophobicContact CB-CZ2 4.32Å; H320-W322 PolarHBondContact CE1-O 2.71Å; H320-W322 AromaticContact CG-CE2 3.7Å; H320-W322 AromaticContact CG-CZ2 3.98Å; H320-W322 AromaticContact CG-NE1 3.83Å; H320-W322 AromaticContact ND1-CD2 3.6Å; H320-W322 AromaticContact ND1-CE2 3.66Å; H320-W322 AromaticContact ND1-CG 3.88Å; H320-W322 PolarHBondContact ND1-N 3.42Å; H320-W322 AromaticContact ND1-NE1 3.97Å; H320-W322 PolarHBondContact ND1-O 3.13Å; H320-W322 VanDerWaalsContact ND1-O 3.16Å; H320-R333 PolarHBondContact CE1-NH1 3.47Å; H320-R333 PolarHBondContact ND1-NH1 3.16Å; H320-R333 PolarHBondContact O-NH1 3.04Å; H320-R333 PolarHBondContact O-NH2 3.48Å; H320-Y344 AromaticContact CD2-CE1 3.86Å; H320-Y344 AromaticContact CD2-CZ 3.61Å; H320-Y344 PolarHBondContact CD2-OH 3.06Å; H320-Y344 VanDerWaalsContact CD2-OH 3.25Å; H320-Y344 AromaticContact NE2-CE1 3.76Å; H320-Y344 AromaticContact NE2-CZ 3.56Å
321	N	85.2	Confident	80.1	Confident	116 Å²	116	67.6 Å²	67.6	62%	0.62	36%	0.355	S	S	*	.			trans	-129.6	15.6	-177.4	65.1	-9.4	0	0	0	113.3	H324	N321-H324 PolarHBondContact O-CD2 2.81Å
322	W	83.3	Confident	79.7	Confident	111 Å²	111	70.4 Å²	70.4	42%	0.42	37%	0.368	S	S	.	.			trans	-111.4	173.9	-179.9	49.8	-99.8	0	0	0	111	V286 H320 H324 P336	V286-W322 HydrophobicContact CB-CZ2 4.29Å; V286-W322 HydrophobicContact CG1-CH2 4.28Å; V286-W322 HydrophobicContact CG1-CZ2 3.78Å; V286-W322 HydrophobicContact CG2-CH2 4.29Å; V286-W322 HydrophobicContact CG2-CZ2 4.42Å; H320-W322 HydrophobicContact CB-CZ2 4.32Å; H320-W322 PolarHBondContact CE1-O 2.71Å; H320-W322 AromaticContact CG-CE2 3.7Å; H320-W322 AromaticContact CG-CZ2 3.98Å; H320-W322 AromaticContact CG-NE1 3.83Å; H320-W322 AromaticContact ND1-CD2 3.6Å; H320-W322 AromaticContact ND1-CE2 3.66Å; H320-W322 AromaticContact ND1-CG 3.88Å; H320-W322 PolarHBondContact ND1-N 3.42Å; H320-W322 AromaticContact ND1-NE1 3.97Å; H320-W322 PolarHBondContact ND1-O 3.13Å; H320-W322 VanDerWaalsContact ND1-O 3.16Å; W322-H324 VanDerWaalsContact C-N 3.26Å; W322-H324 PolarHBondContact O-N 3.27Å; W322-P336 HydrophobicContact CH2-CB 4.04Å; W322-P336 HydrophobicContact CH2-CG 3.29Å; W322-P336 HydrophobicContact CZ2-CG 4.47Å; W322-P336 HydrophobicContact CZ3-CB 4.39Å; W322-P336 HydrophobicContact CZ3-CG 3.61Å
323	G	76.5	Confident	79.6	Confident	33 Å²	33	67.8 Å²	67.8	34%	0.34	35%	0.349	S	S	.	.			trans	73.5	15.2	179.2	0	0	0	0	0	114.7	R333 E334	G323-R333 WeakPolarHBondContact O-CA 3.49Å; G323-E334 PolarHBondContact O-N 2.99Å
324	H	77.1	Confident	79.4	Confident	98 Å²	98	69.8 Å²	69.8	45%	0.454	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-66.3	134	168.6	-77.7	-85.1	0	0	0	110.3	N321 W322 N331 R333	N321-H324 PolarHBondContact O-CD2 2.81Å; W322-H324 VanDerWaalsContact C-N 3.26Å; W322-H324 PolarHBondContact O-N 3.27Å; H324-N331 PolarHBondContact CE1-OD1 2.7Å; H324-R333 PolarHBondContact CE1-NE 3.06Å; H324-R333 PolarHBondContact CE1-NH2 2.95Å; H324-R333 VanDerWaalsContact NE2-CZ 3.31Å; H324-R333 PolarHBondContact NE2-NE 3.29Å; H324-R333 PolarHBondContact NE2-NH2 2.82Å
325	R	67.6	Low	79.3	Confident	143 Å²	143	69.8 Å²	69.8	54%	0.54	36%	0.356	S	S	.	.			trans	-88.6	121.4	160.9	-68.8	-167.1	172.6	-149.4	-1	107.3	D327 E334	R325-D327 PolarHBondContact O-N 3.17Å; R325-E334 IonicContact CZ-OE2 3.83Å; R325-E334 IonicContact NE-OE2 3.83Å; R325-E334 IonicContact NH2-OE2 2.94Å; R325-E334 PolarHBondContact NH2-OE2 2.94Å
326	S	56.6	Low	79.1	Confident	114 Å²	114	70.9 Å²	70.9	80%	0.797	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.7	-168.9	50.7	0	0	0	0	115.3
327	D	56.8	Low	78.9	Confident	147 Å²	147	74.8 Å²	74.8	79%	0.786	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	6.7	-163	-61.7	-3.6	0	0	0	113.6	R325	R325-D327 PolarHBondContact O-N 3.17Å
328	T	53.6	Low	78.9	Confident	62 Å²	62	77.1 Å²	77.1	38%	0.38	40%	0.401	S	S	.	.			trans	-121.8	129.7	-178.1	49.7	0	0	0	0	112.5	A330	T328-A330 PolarHBondContact O-N 3.17Å
329	E	53.3	Low	78.8	Confident	213 Å²	213	86.3 Å²	86.3	100%	0.995	44%	0.435	S	S	*	.	S	Bend	trans	-67.1	-20.3	176.6	-65.9	-174.6	161.8	0	0	113.4
330	A	60.1	Low	78.9	Confident	52 Å²	52	82.8 Å²	82.8	43%	0.43	43%	0.427	S	S	.	.	S	Bend	trans	-82.4	138.8	171.6	0	0	0	0	0	109.3	T328 E332	T328-A330 PolarHBondContact O-N 3.17Å; A330-E332 HydrophobicContact CB-CG 3.9Å; A330-E332 PolarHBondContact O-N 3.06Å
331	N	74.1	Confident	79	Confident	66 Å²	66	84.2 Å²	84.2	35%	0.353	44%	0.437	S	S	.	.			trans	-66	57.7	175.6	-171.1	27.6	0	0	0	111.7	H324 R333 Y344	H324-N331 PolarHBondContact CE1-OD1 2.7Å; N331-R333 PolarHBondContact OD1-NE 3.41Å; N331-Y344 PolarHBondContact ND2-O 2.77Å; N331-Y344 PolarHBondContact O-N 3.09Å; N331-Y344 VanDerWaalsContact O-N 3.08Å
332	E	86.3	Confident	79.2	Confident	64 Å²	64	78.8 Å²	78.8	30%	0.299	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.2	-179.2	-72.1	-173.6	-177.1	0	0	110	A330 V341 G342	A330-E332 HydrophobicContact CB-CG 3.9Å; A330-E332 PolarHBondContact O-N 3.06Å; E332-V341 HydrophobicContact CB-CG1 4.21Å; E332-G342 VanDerWaalsContact CA-O 3.31Å; E332-G342 WeakPolarHBondContact CA-O 3.19Å
333	R	90.1	Very high	79.6	Confident	4 Å²	4	75 Å²	75	2%	0.015	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.1	-178.6	-59	-172	-171.3	-173.3	-1.8	110.5	Y310 H320 G323 H324 N331 V341 G342 Y344	Y310-R333 HydrophobicContact CE1-CB 3.67Å; H320-R333 PolarHBondContact CE1-NH1 3.47Å; H320-R333 PolarHBondContact ND1-NH1 3.16Å; H320-R333 PolarHBondContact O-NH1 3.04Å; H320-R333 PolarHBondContact O-NH2 3.48Å; G323-R333 WeakPolarHBondContact O-CA 3.49Å; H324-R333 PolarHBondContact CE1-NE 3.06Å; H324-R333 PolarHBondContact CE1-NH2 2.95Å; H324-R333 VanDerWaalsContact NE2-CZ 3.31Å; H324-R333 PolarHBondContact NE2-NE 3.29Å; H324-R333 PolarHBondContact NE2-NH2 2.82Å; N331-R333 PolarHBondContact OD1-NE 3.41Å; R333-V341 WeakPolarHBondContact O-CA 3.25Å; R333-G342 PolarHBondContact N-O 2.79Å; R333-G342 PolarHBondContact O-N 3.29Å; R333-G342 VanDerWaalsContact O-N 3.11Å; R333-Y344 VanDerWaalsContact CZ-CD1 3.48Å; R333-Y344 VanDerWaalsContact NH1-CE1 3.3Å
334	E	92.3	Very high	80.3	Confident	64 Å²	64	73.5 Å²	73.5	30%	0.299	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.1	173.6	-167.5	169	135.9	0	0	110.2	Y310 G323 R325 P336 R339 V341	Y310-E334 WeakPolarHBondContact CE1-O 3.09Å; Y310-E334 PolarHBondContact OH-O 3.26Å; G323-E334 PolarHBondContact O-N 2.99Å; R325-E334 IonicContact CZ-OE2 3.83Å; R325-E334 IonicContact NE-OE2 3.83Å; R325-E334 IonicContact NH2-OE2 2.94Å; R325-E334 PolarHBondContact NH2-OE2 2.94Å; E334-P336 WeakPolarHBondContact O-CD 3.36Å; E334-R339 HydrophobicContact CG-CB 4.24Å; E334-V341 HydrophobicContact CB-CG2 4.2Å; E334-V341 HydrophobicContact CG-CG2 4.2Å
335	C	92.8	Very high	81.1	Confident	1 Å²	1	70 Å²	70	1%	0.007	37%	0.367	C	S	.	.			trans	-68.5	124.6	177.8	-178.8	0	0	0	0	110.8	Y310 C313 M337 C338 R339 T340	Y310-C335 HydrophobicContact CD1-CB 3.84Å; Y310-C335 HydrophobicContact CD2-CB 4.23Å; Y310-C335 HydrophobicContact CE1-CB 4.14Å; Y310-C335 HydrophobicContact CG-CB 3.88Å; C313-C335 VanDerWaalsContact SG-SG 3.63Å; C335-M337 PolarHBondContact O-N 2.86Å; C335-C338 VanDerWaalsContact SG-SG 3.67Å; C335-R339 WeakPolarHBondContact O-CA 3.28Å; C335-R339 PolarHBondContact O-N 3.47Å; C335-T340 VanDerWaalsContact CB-O 3.26Å; C335-T340 WeakPolarHBondContact CB-O 3.34Å; C335-T340 PolarHBondContact N-O 3.47Å
336	P	91.6	Very high	82.4	Confident	52 Å²	52	64.2 Å²	64.2	34%	0.338	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.5	-178.6	-19.7	32.1	0	0	0	113.1	V286 Y310 W322 E334	V286-P336 HydrophobicContact CG2-CB 4.13Å; V286-P336 HydrophobicContact CG2-CG 4.33Å; Y310-P336 VanDerWaalsContact OH-CD 3.28Å; Y310-P336 WeakPolarHBondContact OH-CD 3.36Å; W322-P336 HydrophobicContact CH2-CB 4.04Å; W322-P336 HydrophobicContact CH2-CG 3.29Å; W322-P336 HydrophobicContact CZ2-CG 4.47Å; W322-P336 HydrophobicContact CZ3-CB 4.39Å; W322-P336 HydrophobicContact CZ3-CG 3.61Å; E334-P336 WeakPolarHBondContact O-CD 3.36Å
337	M	91.5	Very high	84.2	Confident	84 Å²	84	58.8 Å²	58.8	41%	0.414	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-42.9	-176.6	-59.5	-57	-65.9	0	0	112.2	P285 C335	P285-M337 HydrophobicContact CB-CE 4.49Å; P285-M337 HydrophobicContact CB-SD 3.72Å; P285-M337 HydrophobicContact CG-CG 4.42Å; P285-M337 HydrophobicContact CG-SD 4.1Å; C335-M337 PolarHBondContact O-N 2.86Å
338	C	94	Very high	85.9	Confident	51 Å²	51	54.2 Å²	54.2	35%	0.345	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	0.7	-171.8	69	0	0	0	0	115	C335 T340	C335-C338 VanDerWaalsContact SG-SG 3.67Å; C338-T340 PolarHBondContact O-N 2.72Å; C338-T340 VanDerWaalsContact O-N 3.09Å; C338-T340 PolarHBondContact SG-OG1 3.34Å
339	R	92.7	Very high	87.9	Confident	193 Å²	193	51.9 Å²	51.9	73%	0.728	27%	0.268	S	S	*	.			trans	61.5	8	-178.1	-51.2	-166.7	-174.6	-176	0.6	116.2	E334 C335 V341	E334-R339 HydrophobicContact CG-CB 4.24Å; C335-R339 WeakPolarHBondContact O-CA 3.28Å; C335-R339 PolarHBondContact O-N 3.47Å; R339-V341 PolarHBondContact O-N 3.09Å
340	T	93.1	Very high	89.9	Confident	54 Å²	54	41.7 Å²	41.7	33%	0.331	22%	0.22	S	C	.	.			trans	-63.2	129.1	170.4	-52.9	0	0	0	0	109.5	C313 C335 C338	C313-T340 HydrophobicContact CB-CG2 4.15Å; C335-T340 VanDerWaalsContact CB-O 3.26Å; C335-T340 WeakPolarHBondContact CB-O 3.34Å; C335-T340 PolarHBondContact N-O 3.47Å; C338-T340 PolarHBondContact O-N 2.72Å; C338-T340 VanDerWaalsContact O-N 3.09Å; C338-T340 PolarHBondContact SG-OG1 3.34Å
341	V	91.1	Very high	91.4	Very high	47 Å²	47	40 Å²	40	29%	0.285	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.6	174.8	-179.5	0	0	0	0	109	S312 E332 R333 E334 R339	S312-V341 PolarHBondContact OG-O 3.42Å; E332-V341 HydrophobicContact CB-CG1 4.21Å; R333-V341 WeakPolarHBondContact O-CA 3.25Å; E334-V341 HydrophobicContact CB-CG2 4.2Å; E334-V341 HydrophobicContact CG-CG2 4.2Å; R339-V341 PolarHBondContact O-N 3.09Å
342	G	89.2	Confident	92.4	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	178.5	177.9	0	0	0	0	0	114.6	S312 E332 R333 Y344	S312-G342 VanDerWaalsContact OG-CA 3.25Å; S312-G342 WeakPolarHBondContact OG-CA 3.35Å; E332-G342 VanDerWaalsContact CA-O 3.31Å; E332-G342 WeakPolarHBondContact CA-O 3.19Å; R333-G342 PolarHBondContact N-O 2.79Å; R333-G342 PolarHBondContact O-N 3.29Å; R333-G342 VanDerWaalsContact O-N 3.11Å; G342-Y344 PolarHBondContact O-N 3.18Å
343	P	91	Very high	92.8	Very high	32 Å²	32	34.6 Å²	34.6	21%	0.208	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.4	177.9	-23.6	33.4	0	0	0	111.4	Y310 L311 V345	Y310-P343 WeakPolarHBondContact CA-O 3.11Å; L311-P343 PolarHBondContact N-O 3.34Å; P343-V345 HydrophobicContact CB-CG1 4.39Å
344	Y	92.5	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109	174.6	-174.1	-114.4	0	0	0	110.3	W308 A309 Y310 H317 G318 H320 N331 R333 G342	W308-Y344 HydrophobicContact CB-CE1 4.07Å; W308-Y344 HydrophobicContact CB-CE2 3.68Å; W308-Y344 VanDerWaalsContact CB-CZ 3.43Å; W308-Y344 WeakPolarHBondContact CB-OH 3.16Å; W308-Y344 HydrophobicContact CD2-CD1 4.45Å; W308-Y344 AromaticContact CD2-CE1 3.97Å; W308-Y344 HydrophobicContact CD2-CE1 3.97Å; W308-Y344 AromaticContact CE3-CD1 3.47Å; W308-Y344 HydrophobicContact CE3-CD1 3.47Å; W308-Y344 VanDerWaalsContact CE3-CD1 3.47Å; W308-Y344 AromaticContact CE3-CE1 3.41Å; W308-Y344 HydrophobicContact CE3-CE1 3.41Å; W308-Y344 VanDerWaalsContact CE3-CE1 3.41Å; W308-Y344 HydrophobicContact CE3-CG 4.16Å; W308-Y344 HydrophobicContact CG-CE1 4.26Å; W308-Y344 AromaticContact CZ3-CD1 3.94Å; W308-Y344 HydrophobicContact CZ3-CD1 3.94Å; W308-Y344 HydrophobicContact CZ3-CE1 4.14Å; W308-Y344 WeakPolarHBondContact CZ3-O 3.14Å; A309-Y344 WeakPolarHBondContact O-CA 3.31Å; Y310-Y344 HydrophobicContact CD1-CD2 4.04Å; Y310-Y344 AromaticContact CD2-CD2 3.77Å; Y310-Y344 HydrophobicContact CD2-CD2 3.77Å; Y310-Y344 AromaticContact CD2-CE2 3.86Å; Y310-Y344 HydrophobicContact CD2-CE2 3.86Å; Y310-Y344 AromaticContact CE1-CD2 3.95Å; Y310-Y344 HydrophobicContact CE1-CD2 3.95Å; Y310-Y344 HydrophobicContact CE1-CG 4.41Å; Y310-Y344 AromaticContact CE2-CD2 3.64Å; Y310-Y344 HydrophobicContact CE2-CD2 3.64Å; Y310-Y344 AromaticContact CE2-CE2 3.52Å; Y310-Y344 HydrophobicContact CE2-CE2 3.52Å; Y310-Y344 AromaticContact CG-CD2 3.96Å; Y310-Y344 HydrophobicContact CG-CD2 3.96Å; Y310-Y344 AromaticContact CZ-CD2 3.73Å; Y310-Y344 AromaticContact CZ-CE2 3.92Å; H317-Y344 HydrophobicContact CB-CE2 4.24Å; H317-Y344 WeakPolarHBondContact CB-OH 3.17Å; G318-Y344 PolarHBondContact O-OH 3.5Å; H320-Y344 AromaticContact CD2-CE1 3.86Å; H320-Y344 AromaticContact CD2-CZ 3.61Å; H320-Y344 PolarHBondContact CD2-OH 3.06Å; H320-Y344 VanDerWaalsContact CD2-OH 3.25Å; H320-Y344 AromaticContact NE2-CE1 3.76Å; H320-Y344 AromaticContact NE2-CZ 3.56Å; N331-Y344 PolarHBondContact ND2-O 2.77Å; N331-Y344 PolarHBondContact O-N 3.09Å; N331-Y344 VanDerWaalsContact O-N 3.08Å; R333-Y344 VanDerWaalsContact CZ-CD1 3.48Å; R333-Y344 VanDerWaalsContact NH1-CE1 3.3Å; G342-Y344 PolarHBondContact O-N 3.18Å
345	V	92.8	Very high	93.2	Very high	24 Å²	24	31.5 Å²	31.5	15%	0.145	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.4	-168.9	-53.9	0	0	0	0	112.3	W308 A309 L311 P343	W308-V345 CarbonylContact C-O 3.54Å; W308-V345 WeakPolarHBondContact CA-O 3.38Å; A309-V345 PolarHBondContact N-O 3.39Å; A309-V345 PolarHBondContact O-N 2.92Å; L311-V345 HydrophobicContact CD1-CG2 3.43Å; L311-V345 VanDerWaalsContact CD1-CG2 3.43Å; L311-V345 HydrophobicContact CD2-CG2 4.3Å; L311-V345 HydrophobicContact CG-CG2 3.8Å; P343-V345 HydrophobicContact CB-CG1 4.39Å
346	P	94.1	Very high	93.4	Very high	23 Å²	23	31.9 Å²	31.9	15%	0.149	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.7	170.1	28.2	-33.3	0	0	0	110.6	V302 W308 W348	V302-P346 HydrophobicContact CG1-CB 4.47Å; V302-P346 HydrophobicContact CG2-CB 4.13Å; V302-P346 HydrophobicContact CG2-CG 4.1Å; W308-P346 HydrophobicContact CD2-CB 4.09Å; W308-P346 HydrophobicContact CG-CB 4.45Å; W308-P346 HydrophobicContact CH2-CG 4.32Å; W308-P346 HydrophobicContact CZ2-CB 3.98Å; W308-P346 HydrophobicContact CZ2-CG 4.11Å; P346-W348 HydrophobicContact CB-CZ2 4.35Å; P346-W348 HydrophobicContact CG-CZ2 4.3Å
347	L	95.1	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.			trans	-92.8	139.4	176.3	-64.7	-176.4	0	0	0	111.6	F293 Q306 P307 A309 L311 V316 A365 G370 V372 L413	F293-L347 HydrophobicContact CE1-CB 3.71Å; F293-L347 HydrophobicContact CZ-CB 4.06Å; F293-L347 HydrophobicContact CZ-CD1 4.21Å; Q306-L347 PolarHBondContact NE2-O 3Å; P307-L347 HydrophobicContact CB-CB 4.32Å; P307-L347 HydrophobicContact CB-CD1 4.01Å; P307-L347 HydrophobicContact CB-CG 4.47Å; P307-L347 WeakPolarHBondContact O-CB 3.45Å; P307-L347 PolarHBondContact O-N 3.46Å; A309-L347 HydrophobicContact CB-CD1 4.01Å; A309-L347 HydrophobicContact CB-CD2 3.8Å; A309-L347 HydrophobicContact CB-CG 4.03Å; L311-L347 HydrophobicContact CD2-CD2 4.43Å; V316-L347 HydrophobicContact CG1-CD1 4.4Å; V316-L347 HydrophobicContact CG2-CD1 4.2Å; L347-A365 HydrophobicContact CD2-CB 4.04Å; L347-G370 WeakPolarHBondContact CA-O 3.45Å; L347-G370 WeakPolarHBondContact CD2-O 3.26Å; L347-V372 HydrophobicContact CB-CG2 3.86Å; L347-V372 HydrophobicContact CD1-CG2 4.26Å; L347-V372 HydrophobicContact CD2-CG2 3.96Å; L347-V372 HydrophobicContact CG-CG2 4.26Å; L347-L413 HydrophobicContact CD1-CD1 3.67Å; L347-L413 HydrophobicContact CD1-CD2 3.88Å; L347-L413 HydrophobicContact CD1-CG 4.42Å; L347-L413 HydrophobicContact CD2-CD2 4.23Å
348	W	93.7	Very high	93.8	Very high	50 Å²	50	27 Å²	27	19%	0.189	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.4	-179.1	-56.8	93.3	0	0	0	110.4	P294 V302 P346 G370 H371 V372	P294-W348 HydrophobicContact CG-CE3 4.46Å; P294-W348 HydrophobicContact CG-CZ3 4.31Å; V302-W348 HydrophobicContact CG2-CH2 4.24Å; V302-W348 HydrophobicContact CG2-CZ2 3.85Å; P346-W348 HydrophobicContact CB-CZ2 4.35Å; P346-W348 HydrophobicContact CG-CZ2 4.3Å; W348-G370 PolarHBondContact N-O 2.86Å; W348-H371 CarbonylContact O-C 3.57Å; W348-H371 VanDerWaalsContact O-CA 3.27Å; W348-H371 WeakPolarHBondContact O-CA 3.48Å; W348-V372 PolarHBondContact O-N 2.67Å
349	L	94.1	Very high	93.8	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.1	175	-73.5	173.9	0	0	0	111.5	N28 R274 F293 C351 P362 V372	N28-L349 PolarHBondContact ND2-O 3.38Å; N28-L349 VanDerWaalsContact ND2-O 3.09Å; R274-L349 HydrophobicContact CB-CD1 3.45Å; R274-L349 VanDerWaalsContact CB-CD1 3.45Å; R274-L349 HydrophobicContact CG-CD1 3.43Å; R274-L349 VanDerWaalsContact CG-CD1 3.43Å; F293-L349 HydrophobicContact CB-CD1 4.38Å; F293-L349 HydrophobicContact CD1-CD1 4.46Å; F293-L349 HydrophobicContact CD1-CG 3.91Å; F293-L349 HydrophobicContact CE1-CD2 4.41Å; F293-L349 HydrophobicContact CE1-CG 4.22Å; F293-L349 HydrophobicContact CG-CD1 4.39Å; F293-L349 HydrophobicContact CG-CG 4.29Å; L349-C351 PolarHBondContact O-N 2.87Å; L349-C351 PolarHBondContact O-SG 2.93Å; L349-P362 HydrophobicContact CD2-CB 3.72Å; L349-P362 HydrophobicContact CD2-CG 3.74Å; L349-V372 HydrophobicContact CD2-CB 4.18Å; L349-V372 HydrophobicContact CD2-CG1 4.41Å
350	G	95.1	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.			trans	-66.5	107.3	163.7	0	0	0	0	0	109.4	Y356 V372 F399	G350-Y356 WeakPolarHBondContact O-CE2 3.23Å; G350-Y356 PolarHBondContact O-OH 2.86Å; G350-V372 PolarHBondContact N-O 3.27Å; G350-F399 VanDerWaalsContact CA-CZ 3.47Å
351	C	92.7	Very high	94.1	Very high	17 Å²	17	20.2 Å²	20.2	12%	0.115	13%	0.129	C	C	.	.			trans	-93.9	-21.4	-174.7	-58	0	0	0	0	112.1	N28 Q267 I296 L349 A353	N28-C351 WeakPolarHBondContact OD1-CA 3.29Å; N28-C351 PolarHBondContact OD1-N 3.11Å; Q267-C351 PolarHBondContact NE2-O 2.66Å; Q267-C351 PolarHBondContact OE1-O 3.41Å; I296-C351 HydrophobicContact CG2-CB 3.88Å; L349-C351 PolarHBondContact O-N 2.87Å; L349-C351 PolarHBondContact O-SG 2.93Å; C351-A353 PolarHBondContact O-N 2.8Å
352	E	94.8	Very high	94.3	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	12%	0.118	C	C	.	.			trans	-76.2	100.1	177.9	-178.3	48.4	-109.1	0	0	111.4	V23 N28 G29 R42 G354 F355 F399	V23-E352 HydrophobicContact CG1-CG 3.66Å; N28-E352 PolarHBondContact OD1-N 2.89Å; G29-E352 WeakPolarHBondContact CA-OE2 3.48Å; R42-E352 VanDerWaalsContact CD-OE2 3.25Å; R42-E352 WeakPolarHBondContact CD-OE2 3.44Å; R42-E352 IonicContact CZ-OE2 2.78Å; R42-E352 IonicContact NE-OE2 3.16Å; R42-E352 PolarHBondContact NE-OE2 3.25Å; E352-G354 PolarHBondContact O-N 2.88Å; E352-G354 PolarHBondContact OE1-N 3.01Å; E352-F355 HydrophobicContact CB-CD2 3.54Å; E352-F355 HydrophobicContact CB-CE2 3.55Å; E352-F355 HydrophobicContact CB-CG 4.2Å; E352-F355 HydrophobicContact CB-CZ 4.24Å; E352-F355 HydrophobicContact CG-CD1 4.05Å; E352-F355 HydrophobicContact CG-CD2 3.61Å; E352-F355 HydrophobicContact CG-CE1 3.92Å; E352-F355 HydrophobicContact CG-CE2 3.44Å; E352-F355 VanDerWaalsContact CG-CE2 3.44Å; E352-F355 HydrophobicContact CG-CG 3.9Å; E352-F355 HydrophobicContact CG-CZ 3.61Å; E352-F355 PolarHBondContact O-N 3.3Å; E352-F355 VanDerWaalsContact O-N 3.14Å; E352-F399 HydrophobicContact CB-CD1 4.26Å; E352-F399 HydrophobicContact CB-CE1 4.23Å
353	A	93.9	Very high	94.7	Very high	11 Å²	11	20.4 Å²	20.4	9%	0.091	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-51.4	-39.9	178.1	0	0	0	0	0	113.3	T264 P265 I270 C351 F355 Y356	T264-A353 HydrophobicContact CG2-CB 4.22Å; T264-A353 WeakPolarHBondContact CG2-O 3.27Å; P265-A353 WeakPolarHBondContact O-CB 3.45Å; I270-A353 HydrophobicContact CD1-CB 4.02Å; C351-A353 PolarHBondContact O-N 2.8Å; A353-F355 PolarHBondContact O-N 3.35Å; A353-Y356 PolarHBondContact O-N 3.45Å
354	G	95.3	Very high	95	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59	-16.5	-178.4	0	0	0	0	0	114.5	L254 R256 E352	L254-G354 WeakPolarHBondContact CD2-O 3.36Å; R256-G354 WeakPolarHBondContact CD-O 3.22Å; E352-G354 PolarHBondContact O-N 2.88Å; E352-G354 PolarHBondContact OE1-N 3.01Å
355	F	96.8	Very high	95.3	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-89.9	-6.6	179.6	-56.7	-24.6	0	0	0	114.2	V23 L25 L254 E352 A353 W381 P398 F399	V23-F355 HydrophobicContact CB-CE1 4.07Å; V23-F355 HydrophobicContact CG1-CE1 3.54Å; V23-F355 HydrophobicContact CG1-CZ 3.64Å; L25-F355 HydrophobicContact CD1-CE1 3.9Å; L25-F355 HydrophobicContact CD1-CZ 4.21Å; L25-F355 HydrophobicContact CG-CE1 4.19Å; L25-F355 HydrophobicContact CG-CZ 4.15Å; L254-F355 HydrophobicContact CB-CE1 4.29Å; L254-F355 HydrophobicContact CD2-CD1 3.59Å; L254-F355 HydrophobicContact CD2-CE1 3.96Å; E352-F355 HydrophobicContact CB-CD2 3.54Å; E352-F355 HydrophobicContact CB-CE2 3.55Å; E352-F355 HydrophobicContact CB-CG 4.2Å; E352-F355 HydrophobicContact CB-CZ 4.24Å; E352-F355 HydrophobicContact CG-CD1 4.05Å; E352-F355 HydrophobicContact CG-CD2 3.61Å; E352-F355 HydrophobicContact CG-CE1 3.92Å; E352-F355 HydrophobicContact CG-CE2 3.44Å; E352-F355 VanDerWaalsContact CG-CE2 3.44Å; E352-F355 HydrophobicContact CG-CG 3.9Å; E352-F355 HydrophobicContact CG-CZ 3.61Å; E352-F355 PolarHBondContact O-N 3.3Å; E352-F355 VanDerWaalsContact O-N 3.14Å; A353-F355 PolarHBondContact O-N 3.35Å; F355-W381 HydrophobicContact CB-CZ2 4.06Å; F355-W381 HydrophobicContact CD1-CZ2 4.1Å; F355-W381 HydrophobicContact CG-CZ2 4.28Å; F355-W381 PolarHBondContact O-NE1 2.86Å; F355-P398 HydrophobicContact CB-CB 4.35Å; F355-P398 HydrophobicContact CB-CG 4.46Å; F355-P398 HydrophobicContact CD2-CB 3.78Å; F355-P398 HydrophobicContact CD2-CG 4.32Å; F355-P398 HydrophobicContact CE2-CB 4.24Å; F355-P398 WeakPolarHBondContact CE2-O 3.26Å; F355-P398 HydrophobicContact CG-CB 4.02Å; F355-F399 HydrophobicContact CB-CE1 4.03Å; F355-F399 HydrophobicContact CB-CZ 4.22Å; F355-F399 AromaticContact CD2-CD1 3.62Å; F355-F399 HydrophobicContact CD2-CD1 3.62Å; F355-F399 AromaticContact CD2-CE1 3.6Å; F355-F399 HydrophobicContact CD2-CE1 3.6Å; F355-F399 HydrophobicContact CD2-CG 4.46Å; F355-F399 HydrophobicContact CD2-CZ 4.43Å; F355-F399 HydrophobicContact CE2-CD1 4.23Å; F355-F399 HydrophobicContact CG-CE1 4.3Å
356	Y	96.5	Very high	95.5	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.035	12%	0.117	C	C	.	.			trans	-84.8	132.5	-179	-76	-102	0	0	0	111.6	P265 I270 G350 A353 C373 S377 F399	P265-Y356 HydrophobicContact CG-CG 4.41Å; I270-Y356 HydrophobicContact CD1-CD2 4.16Å; I270-Y356 HydrophobicContact CD1-CE2 3.72Å; I270-Y356 HydrophobicContact CG1-CE2 4.43Å; G350-Y356 WeakPolarHBondContact O-CE2 3.23Å; G350-Y356 PolarHBondContact O-OH 2.86Å; A353-Y356 PolarHBondContact O-N 3.45Å; Y356-C373 HydrophobicContact CE1-CB 3.81Å; Y356-S377 WeakPolarHBondContact CA-OG 3.31Å; Y356-F399 HydrophobicContact CE2-CE1 4.24Å; Y356-F399 AromaticContact CE2-CZ 3.97Å; Y356-F399 HydrophobicContact CE2-CZ 3.97Å
357	V	95.7	Very high	95.5	Very high	14 Å²	14	18 Å²	18	9%	0.085	11%	0.114	C	C	.	.	S	Bend	trans	-95.1	-7.6	174.4	-58.4	0	0	0	0	112.9	F199 T200 E201 K376 S377 Y380	F199-V357 HydrophobicContact CD1-CG1 3.99Å; F199-V357 HydrophobicContact CD2-CG1 4.45Å; F199-V357 HydrophobicContact CE1-CG1 3.77Å; F199-V357 HydrophobicContact CE2-CG1 4.22Å; F199-V357 HydrophobicContact CG-CG1 4.39Å; F199-V357 HydrophobicContact CZ-CG1 3.89Å; T200-V357 WeakPolarHBondContact O-CB 3.46Å; E201-V357 PolarHBondContact N-O 3.48Å; V357-K376 HydrophobicContact CG2-CB 4.12Å; V357-S377 PolarHBondContact N-OG 2.77Å; V357-S377 VanDerWaalsContact N-OG 3.09Å; V357-Y380 HydrophobicContact CG1-CD1 3.74Å; V357-Y380 HydrophobicContact CG1-CE1 4.19Å; V357-Y380 HydrophobicContact CG1-CG 3.95Å
358	D	95.3	Very high	95.4	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.107	13%	0.125	C	C	.	.	S	Bend	trans	-152.2	174.2	-179.7	73.4	-46.9	0	0	0	110.8	E201 P265 G360 S374 K376 S377	E201-D358 HydrophobicContact CB-CB 4.38Å; P265-D358 WeakPolarHBondContact CG-O 3.12Å; D358-G360 WeakPolarHBondContact OD2-CA 3.35Å; D358-G360 PolarHBondContact OD2-N 3.06Å; D358-G360 VanDerWaalsContact OD2-N 3.13Å; D358-S374 WeakPolarHBondContact OD1-CB 3.44Å; D358-S374 PolarHBondContact OD1-OG 3.25Å; D358-S374 WeakPolarHBondContact OD2-CB 3.07Å; D358-S374 PolarHBondContact OD2-OG 3.43Å; D358-K376 HydrophobicContact CB-CB 4.28Å; D358-K376 HydrophobicContact CB-CD 4Å; D358-S377 PolarHBondContact OD1-OG 3.01Å
359	A	95.1	Very high	95.4	Very high	57 Å²	57	18.3 Å²	18.3	47%	0.471	12%	0.122	S	C	.	.			trans	-107.1	17.4	179.1	0	0	0	0	0	113.8	P265 H269	P265-A359 HydrophobicContact CG-CB 3.98Å; H269-A359 PolarHBondContact NE2-O 3.33Å
360	G	95.2	Very high	95.4	Very high	18 Å²	18	17.7 Å²	17.7	19%	0.186	12%	0.119	C	C	.	.			trans	-69.1	167.6	-175	0	0	0	0	0	115.1	L273 D358	L273-G360 WeakPolarHBondContact CD1-O 3.23Å; D358-G360 WeakPolarHBondContact OD2-CA 3.35Å; D358-G360 PolarHBondContact OD2-N 3.06Å; D358-G360 VanDerWaalsContact OD2-N 3.13Å
361	P	95.7	Very high	95.5	Very high	79 Å²	79	18.7 Å²	18.7	51%	0.513	12%	0.124	S	C	.	.			trans	-68.3	147.9	-178.7	28.9	-35.2	0	0	0	111.9	T363 S374	P361-T363 VanDerWaalsContact C-N 3.34Å; P361-T363 HydrophobicContact CB-CG2 4.15Å; P361-T363 HydrophobicContact CG-CG2 3.96Å; P361-T363 PolarHBondContact O-N 3.43Å; P361-T363 PolarHBondContact O-OG1 3.21Å; P361-S374 WeakPolarHBondContact O-CA 3.49Å
362	P	96.1	Very high	95.7	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.045	12%	0.119	C	C	.	.			trans	-81.7	82.3	-174.8	33.7	-32.9	0	0	0	110.7	L273 I277 L349 V372 C373	L273-P362 HydrophobicContact CB-CG 4.46Å; I277-P362 HydrophobicContact CD1-CG 3.38Å; L349-P362 HydrophobicContact CD2-CB 3.72Å; L349-P362 HydrophobicContact CD2-CG 3.74Å; P362-V372 HydrophobicContact CB-CG1 3.92Å; P362-V372 VanDerWaalsContact O-CG1 3.32Å; P362-V372 WeakPolarHBondContact O-CG1 3.34Å; P362-C373 CarbonylContact C-O 3.01Å; P362-C373 VanDerWaalsContact CA-O 3.28Å; P362-C373 WeakPolarHBondContact CA-O 3.29Å
363	T	96.8	Very high	95.9	Very high	47 Å²	47	17.7 Å²	17.7	29%	0.288	12%	0.118	S	C	.	.			trans	-101.5	-8.9	-172.1	51.1	0	0	0	0	113.6	P361 C373 L413	P361-T363 VanDerWaalsContact C-N 3.34Å; P361-T363 HydrophobicContact CB-CG2 4.15Å; P361-T363 HydrophobicContact CG-CG2 3.96Å; P361-T363 PolarHBondContact O-N 3.43Å; P361-T363 PolarHBondContact O-OG1 3.21Å; T363-C373 PolarHBondContact N-O 3.43Å; T363-L413 WeakPolarHBondContact O-CB 3.45Å; T363-L413 PolarHBondContact O-N 3.42Å
364	H	97.9	Very high	96	Very high	14 Å²	14	17.2 Å²	17.2	7%	0.065	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.3	-172.9	-73.5	66.6	0	0	0	111.5	V372 C373 E375 A378 I411	H364-V372 CarbonylContact O-C 3.59Å; H364-V372 VanDerWaalsContact O-CA 3.23Å; H364-V372 WeakPolarHBondContact O-CA 3.36Å; H364-V372 WeakPolarHBondContact O-CG1 3.25Å; H364-C373 PolarHBondContact N-O 3.04Å; H364-C373 VanDerWaalsContact N-O 3.08Å; H364-C373 PolarHBondContact O-N 3.01Å; H364-C373 VanDerWaalsContact O-O 3.08Å; H364-E375 WeakPolarHBondContact CE1-CB 3.43Å; H364-E375 WeakPolarHBondContact CE1-CG 3.27Å; H364-E375 IonicContact CE1-OE2 2.66Å; H364-E375 WeakPolarHBondContact ND1-CA 3.35Å; H364-E375 WeakPolarHBondContact ND1-CB 3.48Å; H364-A378 HydrophobicContact CB-CB 3.76Å; H364-I411 CarbonylContact C-O 3.46Å; H364-I411 VanDerWaalsContact CA-O 3.29Å; H364-I411 WeakPolarHBondContact CA-O 3.09Å
365	A	97.8	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.1	176.8	0	0	0	0	0	111.7	L311 L347 H371 V372 C410 I411 L413	L311-A365 HydrophobicContact CD2-CB 4.15Å; L347-A365 HydrophobicContact CD2-CB 4.04Å; A365-H371 CarbonylContact C-O 3.53Å; A365-H371 VanDerWaalsContact CA-O 3.27Å; A365-H371 WeakPolarHBondContact CA-O 3.32Å; A365-V372 HydrophobicContact CB-CG2 4.18Å; A365-C410 CarbonylContact O-C 3.51Å; A365-C410 WeakPolarHBondContact O-CA 3.4Å; A365-C410 WeakPolarHBondContact O-CB 3.39Å; A365-I411 PolarHBondContact N-O 3.02Å; A365-I411 PolarHBondContact O-N 3.35Å; A365-L413 HydrophobicContact CB-CD1 4.39Å; A365-L413 HydrophobicContact CB-CD2 3.79Å; A365-L413 HydrophobicContact CB-CG 4.19Å
366	F	97.6	Very high	96.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.1	170.7	-74.2	-64.3	0	0	0	111.8	C369 G370 H371 A378 W381 C397 P398 F399 L404 C410	F366-C369 PolarHBondContact O-N 2.81Å; F366-G370 PolarHBondContact O-N 3.03Å; F366-H371 HydrophobicContact CD2-CB 4.04Å; F366-H371 WeakPolarHBondContact CD2-O 3.45Å; F366-H371 PolarHBondContact N-O 3.16Å; F366-A378 HydrophobicContact CE1-CB 4.32Å; F366-A378 WeakPolarHBondContact CE1-O 3.05Å; F366-A378 HydrophobicContact CZ-CB 4.33Å; F366-W381 HydrophobicContact CE1-CB 3.95Å; F366-W381 HydrophobicContact CZ-CB 3.73Å; F366-W381 HydrophobicContact CZ-CG 4.4Å; F366-C397 HydrophobicContact CB-CB 4.43Å; F366-C397 HydrophobicContact CD2-CB 4.42Å; F366-C397 HydrophobicContact CG-CB 4.38Å; F366-P398 HydrophobicContact CE2-CG 4.22Å; F366-P398 HydrophobicContact CZ-CG 4.32Å; F366-F399 HydrophobicContact CD2-CD2 4.27Å; F366-F399 HydrophobicContact CD2-CE2 4.47Å; F366-F399 AromaticContact CE2-CD2 3.95Å; F366-F399 HydrophobicContact CE2-CD2 3.95Å; F366-F399 AromaticContact CE2-CE2 3.81Å; F366-F399 HydrophobicContact CE2-CE2 3.81Å; F366-L404 HydrophobicContact CB-CD2 3.71Å; F366-L404 HydrophobicContact CD1-CD1 3.6Å; F366-L404 HydrophobicContact CD1-CD2 3.83Å; F366-L404 HydrophobicContact CD1-CG 4.39Å; F366-L404 HydrophobicContact CE1-CD1 3.94Å; F366-L404 HydrophobicContact CG-CD2 4.04Å; F366-C410 HydrophobicContact CD1-CB 4.3Å
367	T	94.4	Very high	96.1	Very high	15 Å²	15	24.4 Å²	24.4	9%	0.092	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	124.6	-179.9	-47.2	0	0	0	0	109.5	L311 L404 V405 N409	L311-T367 HydrophobicContact CB-CG2 3.88Å; L311-T367 HydrophobicContact CD1-CG2 4.24Å; T367-L404 WeakPolarHBondContact O-CA 3.22Å; T367-L404 WeakPolarHBondContact O-CD2 3.46Å; T367-V405 WeakPolarHBondContact CB-O 3.35Å; T367-V405 WeakPolarHBondContact CG2-O 3.31Å; T367-V405 PolarHBondContact O-N 3.41Å; T367-N409 PolarHBondContact N-O 3.25Å
368	P	92.9	Very high	96.2	Very high	34 Å²	34	23.7 Å²	23.7	22%	0.221	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103	5.7	15	38	-29.8	0	0	0	114.5	L311 T402 Q403 V405	L311-P368 WeakPolarHBondContact CD1-O 3.42Å; P368-T402 HydrophobicContact CG-CG2 4.11Å; P368-Q403 WeakPolarHBondContact CD-O 3.44Å; P368-V405 HydrophobicContact CB-CG2 4.13Å; P368-V405 HydrophobicContact CG-CG2 3.97Å
369	C	93.7	Very high	96.3	Very high	21 Å²	21	27.1 Å²	27.1	14%	0.142	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.8	-165.2	69.3	0	0	0	0	115.8	F366 H371 C397 T402	F366-C369 PolarHBondContact O-N 2.81Å; C369-H371 VanDerWaalsContact C-N 3.28Å; C369-H371 PolarHBondContact O-N 2.85Å; C369-C397 VanDerWaalsContact SG-CB 3.59Å; C369-C397 VanDerWaalsContact SG-SG 3.64Å; C369-T402 HydrophobicContact CB-CG2 4.08Å
370	G	94.9	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.			trans	73.4	13.1	177.6	0	0	0	0	0	115	L347 W348 F366 V372	L347-G370 WeakPolarHBondContact CA-O 3.45Å; L347-G370 WeakPolarHBondContact CD2-O 3.26Å; W348-G370 PolarHBondContact N-O 2.86Å; F366-G370 PolarHBondContact O-N 3.03Å; G370-V372 WeakPolarHBondContact O-CG2 2.75Å; G370-V372 PolarHBondContact O-N 3.29Å
371	H	96.4	Very high	96.5	Very high	22 Å²	22	24 Å²	24	10%	0.102	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.1	172.2	-83.7	92.1	0	0	0	110.7	W348 A365 F366 C369 F399 C400	W348-H371 CarbonylContact O-C 3.57Å; W348-H371 VanDerWaalsContact O-CA 3.27Å; W348-H371 WeakPolarHBondContact O-CA 3.48Å; A365-H371 CarbonylContact C-O 3.53Å; A365-H371 VanDerWaalsContact CA-O 3.27Å; A365-H371 WeakPolarHBondContact CA-O 3.32Å; F366-H371 HydrophobicContact CD2-CB 4.04Å; F366-H371 WeakPolarHBondContact CD2-O 3.45Å; F366-H371 PolarHBondContact N-O 3.16Å; C369-H371 VanDerWaalsContact C-N 3.28Å; C369-H371 PolarHBondContact O-N 2.85Å; H371-F399 HydrophobicContact CB-CB 4.39Å; H371-F399 HydrophobicContact CB-CD2 3.97Å; H371-C400 VanDerWaalsContact CE1-CB 3.43Å; H371-C400 WeakPolarHBondContact CE1-CB 3.42Å; H371-C400 PolarHBondContact ND1-SG 3.37Å; H371-C400 VanDerWaalsContact ND1-SG 3.42Å
372	V	97.4	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.6	-171.4	-168.4	0	0	0	0	110.7	F293 L347 W348 L349 G350 P362 H364 A365 G370 L413	F293-V372 HydrophobicContact CE1-CG2 4.14Å; F293-V372 HydrophobicContact CZ-CG2 4.19Å; L347-V372 HydrophobicContact CB-CG2 3.86Å; L347-V372 HydrophobicContact CD1-CG2 4.26Å; L347-V372 HydrophobicContact CD2-CG2 3.96Å; L347-V372 HydrophobicContact CG-CG2 4.26Å; W348-V372 PolarHBondContact O-N 2.67Å; L349-V372 HydrophobicContact CD2-CB 4.18Å; L349-V372 HydrophobicContact CD2-CG1 4.41Å; G350-V372 PolarHBondContact N-O 3.27Å; P362-V372 HydrophobicContact CB-CG1 3.92Å; P362-V372 VanDerWaalsContact O-CG1 3.32Å; P362-V372 WeakPolarHBondContact O-CG1 3.34Å; H364-V372 CarbonylContact O-C 3.59Å; H364-V372 VanDerWaalsContact O-CA 3.23Å; H364-V372 WeakPolarHBondContact O-CA 3.36Å; H364-V372 WeakPolarHBondContact O-CG1 3.25Å; A365-V372 HydrophobicContact CB-CG2 4.18Å; G370-V372 WeakPolarHBondContact O-CG2 2.75Å; G370-V372 PolarHBondContact O-N 3.29Å; V372-L413 HydrophobicContact CB-CD1 4.47Å; V372-L413 HydrophobicContact CG1-CD1 3.63Å; V372-L413 HydrophobicContact CG2-CD1 3.93Å
373	C	97.6	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-173	172.6	62.1	0	0	0	0	109.7	Y356 P362 T363 H364 F399	Y356-C373 HydrophobicContact CE1-CB 3.81Å; P362-C373 CarbonylContact C-O 3.01Å; P362-C373 VanDerWaalsContact CA-O 3.28Å; P362-C373 WeakPolarHBondContact CA-O 3.29Å; T363-C373 PolarHBondContact N-O 3.43Å; H364-C373 PolarHBondContact N-O 3.04Å; H364-C373 VanDerWaalsContact N-O 3.08Å; H364-C373 PolarHBondContact O-N 3.01Å; H364-C373 VanDerWaalsContact O-O 3.08Å; C373-F399 HydrophobicContact CB-CE2 4.04Å; C373-F399 HydrophobicContact CB-CZ 4.26Å
374	S	97.3	Very high	96.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	11%	0.111	C	C	.	.			trans	-64.5	158	176.3	62.8	0	0	0	0	111.9	D358 P361 K376 S377 A378	D358-S374 WeakPolarHBondContact OD1-CB 3.44Å; D358-S374 PolarHBondContact OD1-OG 3.25Å; D358-S374 WeakPolarHBondContact OD2-CB 3.07Å; D358-S374 PolarHBondContact OD2-OG 3.43Å; P361-S374 WeakPolarHBondContact O-CA 3.49Å; S374-K376 VanDerWaalsContact C-N 3.31Å; S374-K376 PolarHBondContact O-N 3.27Å; S374-S377 PolarHBondContact O-N 2.84Å; S374-S377 WeakPolarHBondContact OG-CB 3.42Å; S374-S377 PolarHBondContact OG-N 3.22Å; S374-S377 PolarHBondContact OG-OG 3.17Å; S374-A378 WeakPolarHBondContact O-CB 3.3Å; S374-A378 PolarHBondContact O-N 2.81Å
375	E	97.3	Very high	96.2	Very high	81 Å²	81	24.3 Å²	24.3	38%	0.379	12%	0.121	S	C	.	.	H	α-helix	trans	-54.4	-47	175.7	-178.3	173.3	-176.9	0	0	112.5	H364 A378 K379	H364-E375 WeakPolarHBondContact CE1-CB 3.43Å; H364-E375 WeakPolarHBondContact CE1-CG 3.27Å; H364-E375 IonicContact CE1-OE2 2.66Å; H364-E375 WeakPolarHBondContact ND1-CA 3.35Å; H364-E375 WeakPolarHBondContact ND1-CB 3.48Å; E375-A378 PolarHBondContact O-N 2.89Å; E375-K379 HydrophobicContact CG-CD 4.07Å; E375-K379 WeakPolarHBondContact O-CB 3.42Å; E375-K379 WeakPolarHBondContact O-CG 3.44Å; E375-K379 PolarHBondContact O-N 3.45Å; E375-K379 WeakPolarHBondContact OE1-CE 3.47Å; E375-K379 IonicContact OE1-NZ 3.67Å; E375-K379 PolarHBondContact OE1-NZ 3.22Å
376	K	96.8	Very high	96.1	Very high	81 Å²	81	24.9 Å²	24.9	35%	0.352	13%	0.125	S	C	.	.	H	α-helix	trans	-65.3	-44.7	-176.7	-72.8	160.2	161	-178.7	0	111.2	E201 V357 D358 S374 K379 Y380	E201-K376 HydrophobicContact CB-CB 4.1Å; E201-K376 HydrophobicContact CB-CD 3.58Å; E201-K376 HydrophobicContact CB-CG 3.98Å; E201-K376 VanDerWaalsContact CD-CE 3.44Å; E201-K376 HydrophobicContact CG-CD 4.32Å; E201-K376 WeakPolarHBondContact OE1-CE 3.5Å; E201-K376 IonicContact OE1-NZ 2.87Å; E201-K376 PolarHBondContact OE1-NZ 2.94Å; E201-K376 WeakPolarHBondContact OE2-CD 3.43Å; E201-K376 WeakPolarHBondContact OE2-CE 3.34Å; E201-K376 IonicContact OE2-NZ 3.82Å; E201-K376 PolarHBondContact OE2-NZ 2.76Å; V357-K376 HydrophobicContact CG2-CB 4.12Å; D358-K376 HydrophobicContact CB-CB 4.28Å; D358-K376 HydrophobicContact CB-CD 4Å; S374-K376 VanDerWaalsContact C-N 3.31Å; S374-K376 PolarHBondContact O-N 3.27Å; K376-K379 PolarHBondContact O-N 2.77Å; K376-Y380 WeakPolarHBondContact O-CB 3.38Å; K376-Y380 PolarHBondContact O-N 3.09Å
377	S	97.3	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.4	-63.7	0	0	0	0	112	Y356 V357 D358 S374 Y380 W381	Y356-S377 WeakPolarHBondContact CA-OG 3.31Å; V357-S377 PolarHBondContact N-OG 2.77Å; V357-S377 VanDerWaalsContact N-OG 3.09Å; D358-S377 PolarHBondContact OD1-OG 3.01Å; S374-S377 PolarHBondContact O-N 2.84Å; S374-S377 WeakPolarHBondContact OG-CB 3.42Å; S374-S377 PolarHBondContact OG-N 3.22Å; S374-S377 PolarHBondContact OG-OG 3.17Å; S377-Y380 PolarHBondContact O-N 3.08Å; S377-W381 PolarHBondContact O-N 2.65Å; S377-W381 VanDerWaalsContact O-N 3.14Å
378	A	97.4	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-48.7	176.4	0	0	0	0	0	111.7	H364 F366 S374 E375 Y380 S382 C410	H364-A378 HydrophobicContact CB-CB 3.76Å; F366-A378 HydrophobicContact CE1-CB 4.32Å; F366-A378 WeakPolarHBondContact CE1-O 3.05Å; F366-A378 HydrophobicContact CZ-CB 4.33Å; S374-A378 WeakPolarHBondContact O-CB 3.3Å; S374-A378 PolarHBondContact O-N 2.81Å; E375-A378 PolarHBondContact O-N 2.89Å; A378-Y380 PolarHBondContact O-N 3.35Å; A378-S382 WeakPolarHBondContact O-CB 3.46Å; A378-S382 PolarHBondContact O-N 3.23Å; A378-S382 PolarHBondContact O-OG 3.18Å; A378-C410 HydrophobicContact CB-CB 4Å
379	K	96.3	Very high	95.3	Very high	91 Å²	91	31.2 Å²	31.2	40%	0.396	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-40.7	179	-75.8	-179	-177	175.8	0	113	E375 K376 Q383	E375-K379 HydrophobicContact CG-CD 4.07Å; E375-K379 WeakPolarHBondContact O-CB 3.42Å; E375-K379 WeakPolarHBondContact O-CG 3.44Å; E375-K379 PolarHBondContact O-N 3.45Å; E375-K379 WeakPolarHBondContact OE1-CE 3.47Å; E375-K379 IonicContact OE1-NZ 3.67Å; E375-K379 PolarHBondContact OE1-NZ 3.22Å; K376-K379 PolarHBondContact O-N 2.77Å; K379-Q383 WeakPolarHBondContact O-CG 3.3Å; K379-Q383 PolarHBondContact O-NE2 3.14Å
380	Y	96.5	Very high	94.8	Very high	8 Å²	8	33.9 Å²	33.9	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-59.3	176.9	170.1	-104.4	0	0	0	110.4	P195 F199 S203 V357 K376 S377 A378 S382 Q383 I384	P195-Y380 HydrophobicContact CB-CE2 4.37Å; F199-Y380 HydrophobicContact CD2-CE1 4.2Å; F199-Y380 HydrophobicContact CE2-CD1 4.48Å; F199-Y380 AromaticContact CE2-CE1 3.53Å; F199-Y380 HydrophobicContact CE2-CE1 3.53Å; F199-Y380 AromaticContact CE2-CZ 3.77Å; F199-Y380 HydrophobicContact CZ-CE1 4.2Å; S203-Y380 VanDerWaalsContact CB-CE2 3.49Å; V357-Y380 HydrophobicContact CG1-CD1 3.74Å; V357-Y380 HydrophobicContact CG1-CE1 4.19Å; V357-Y380 HydrophobicContact CG1-CG 3.95Å; K376-Y380 WeakPolarHBondContact O-CB 3.38Å; K376-Y380 PolarHBondContact O-N 3.09Å; S377-Y380 PolarHBondContact O-N 3.08Å; A378-Y380 PolarHBondContact O-N 3.35Å; Y380-S382 VanDerWaalsContact C-N 3.32Å; Y380-S382 PolarHBondContact O-N 3.01Å; Y380-Q383 PolarHBondContact O-N 3.32Å; Y380-Q383 VanDerWaalsContact O-N 3.08Å; Y380-I384 HydrophobicContact CD1-CG1 4.44Å; Y380-I384 HydrophobicContact CD2-CD1 4.18Å; Y380-I384 HydrophobicContact CE1-CD1 4.19Å; Y380-I384 HydrophobicContact CE1-CG1 4.08Å; Y380-I384 HydrophobicContact CE2-CD1 3.61Å; Y380-I384 HydrophobicContact CE2-CG1 4.32Å; Y380-I384 WeakPolarHBondContact O-CG1 3.49Å
381	W	97.4	Very high	94.3	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-31	-176.1	-72.9	109.1	0	0	0	114	L25 F199 L245 L254 F355 F366 S377 Q383 I384 P398	L25-W381 HydrophobicContact CD2-CH2 4.06Å; L25-W381 HydrophobicContact CD2-CZ3 3.77Å; F199-W381 HydrophobicContact CE2-CZ2 4.28Å; F199-W381 HydrophobicContact CZ-CZ2 4.09Å; L245-W381 HydrophobicContact CD1-CZ3 4.22Å; L245-W381 HydrophobicContact CD2-CH2 3.95Å; L245-W381 HydrophobicContact CD2-CZ3 4.17Å; L254-W381 HydrophobicContact CD2-CZ2 4.47Å; F355-W381 HydrophobicContact CB-CZ2 4.06Å; F355-W381 HydrophobicContact CD1-CZ2 4.1Å; F355-W381 HydrophobicContact CG-CZ2 4.28Å; F355-W381 PolarHBondContact O-NE1 2.86Å; F366-W381 HydrophobicContact CE1-CB 3.95Å; F366-W381 HydrophobicContact CZ-CB 3.73Å; F366-W381 HydrophobicContact CZ-CG 4.4Å; S377-W381 PolarHBondContact O-N 2.65Å; S377-W381 VanDerWaalsContact O-N 3.14Å; W381-Q383 PolarHBondContact O-N 3.17Å; W381-Q383 VanDerWaalsContact O-N 3.15Å; W381-I384 HydrophobicContact CE3-CB 4.37Å; W381-I384 HydrophobicContact CE3-CG1 4.11Å; W381-I384 PolarHBondContact O-N 2.7Å; W381-P398 HydrophobicContact CB-CG 4.18Å; W381-P398 HydrophobicContact CD2-CB 3.7Å; W381-P398 HydrophobicContact CD2-CG 3.74Å; W381-P398 HydrophobicContact CE3-CB 3.93Å; W381-P398 HydrophobicContact CE3-CG 4.38Å; W381-P398 HydrophobicContact CG-CB 4.15Å; W381-P398 HydrophobicContact CG-CG 3.62Å; W381-P398 HydrophobicContact CH2-CB 4.25Å; W381-P398 HydrophobicContact CZ2-CB 4.04Å; W381-P398 HydrophobicContact CZ3-CB 4.21Å
382	S	96.2	Very high	94	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.063	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	173.3	-79.3	0	0	0	0	114.3	A378 Y380 A395 Q408 N409	A378-S382 WeakPolarHBondContact O-CB 3.46Å; A378-S382 PolarHBondContact O-N 3.23Å; A378-S382 PolarHBondContact O-OG 3.18Å; Y380-S382 VanDerWaalsContact C-N 3.32Å; Y380-S382 PolarHBondContact O-N 3.01Å; S382-A395 VanDerWaalsContact O-CB 3.27Å; S382-A395 WeakPolarHBondContact O-CB 3.48Å; S382-Q408 PolarHBondContact OG-O 3.2Å; S382-N409 PolarHBondContact O-ND2 3.37Å; S382-N409 WeakPolarHBondContact OG-CB 3.3Å
383	Q	94.4	Very high	93.8	Very high	101 Å²	101	45.4 Å²	45.4	47%	0.472	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.5	-178.8	-64	172.6	49.6	0	0	113.1	P205 K379 Y380 W381 P385	P205-Q383 HydrophobicContact CG-CB 3.7Å; P205-Q383 VanDerWaalsContact CG-O 3.27Å; P205-Q383 WeakPolarHBondContact CG-O 3.25Å; K379-Q383 WeakPolarHBondContact O-CG 3.3Å; K379-Q383 PolarHBondContact O-NE2 3.14Å; Y380-Q383 PolarHBondContact O-N 3.32Å; Y380-Q383 VanDerWaalsContact O-N 3.08Å; W381-Q383 PolarHBondContact O-N 3.17Å; W381-Q383 VanDerWaalsContact O-N 3.15Å; Q383-P385 VanDerWaalsContact O-CD 3.27Å; Q383-P385 WeakPolarHBondContact O-CD 3.47Å
384	I	96.1	Very high	93.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.249	C	C	.	.			trans	-81.1	116	-175.7	-59.6	-58.9	0	0	0	110.3	M193 P205 L245 Y380 W381 L386 A395	M193-I384 HydrophobicContact CE-CD1 3.99Å; M193-I384 HydrophobicContact CE-CG2 3.94Å; M193-I384 HydrophobicContact SD-CG2 4.45Å; P205-I384 HydrophobicContact CB-CD1 4.1Å; P205-I384 HydrophobicContact CG-CD1 4.1Å; L245-I384 HydrophobicContact CD1-CG2 3.59Å; Y380-I384 HydrophobicContact CD1-CG1 4.44Å; Y380-I384 HydrophobicContact CD2-CD1 4.18Å; Y380-I384 HydrophobicContact CE1-CD1 4.19Å; Y380-I384 HydrophobicContact CE1-CG1 4.08Å; Y380-I384 HydrophobicContact CE2-CD1 3.61Å; Y380-I384 HydrophobicContact CE2-CG1 4.32Å; Y380-I384 WeakPolarHBondContact O-CG1 3.49Å; W381-I384 HydrophobicContact CE3-CB 4.37Å; W381-I384 HydrophobicContact CE3-CG1 4.11Å; W381-I384 PolarHBondContact O-N 2.7Å; I384-L386 HydrophobicContact CG2-CD2 3.87Å; I384-L386 HydrophobicContact CG2-CG 4.26Å; I384-L386 PolarHBondContact O-N 2.94Å; I384-L386 VanDerWaalsContact O-N 3.15Å; I384-A395 VanDerWaalsContact O-CA 3.26Å; I384-A395 WeakPolarHBondContact O-CA 3.43Å
385	P	95	Very high	93.6	Very high	43 Å²	43	47.4 Å²	47.4	28%	0.279	25%	0.254	S	S	.	.			trans	-81.2	96.6	180	32.6	-32.2	0	0	0	109.4	W208 Q383 F393	W208-P385 PolarHBondContact NE1-O 3.03Å; Q383-P385 VanDerWaalsContact O-CD 3.27Å; Q383-P385 WeakPolarHBondContact O-CD 3.47Å; P385-F393 HydrophobicContact CB-CB 3.83Å; P385-F393 HydrophobicContact CB-CD1 4.44Å; P385-F393 HydrophobicContact CB-CG 4.49Å; P385-F393 WeakPolarHBondContact O-CD1 3.47Å
386	L	96	Very high	93.5	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.9	177.5	-63.3	175.2	0	0	0	111.1	L25 W208 L245 T252 I384 H388 F393 H394 A396	L25-L386 HydrophobicContact CD2-CD1 4.21Å; L25-L386 HydrophobicContact CD2-CD2 4.36Å; W208-L386 HydrophobicContact CZ2-CD2 4.19Å; L245-L386 HydrophobicContact CD1-CD2 3.84Å; T252-L386 HydrophobicContact CG2-CD2 4.12Å; I384-L386 HydrophobicContact CG2-CD2 3.87Å; I384-L386 HydrophobicContact CG2-CG 4.26Å; I384-L386 PolarHBondContact O-N 2.94Å; I384-L386 VanDerWaalsContact O-N 3.15Å; L386-H388 PolarHBondContact O-N 3.29Å; L386-F393 VanDerWaalsContact O-CA 3.22Å; L386-F393 WeakPolarHBondContact O-CA 3.2Å; L386-H394 WeakPolarHBondContact CA-O 3.48Å; L386-H394 WeakPolarHBondContact CB-O 3.39Å; L386-H394 PolarHBondContact N-O 2.91Å; L386-H394 PolarHBondContact O-N 2.77Å; L386-A396 HydrophobicContact CD1-CB 3.8Å
387	P	94.3	Very high	93.5	Very high	22 Å²	22	40 Å²	40	14%	0.143	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	134.5	177.9	-22.6	32.7	0	0	0	112.2	L191 W208 D247 F393	L191-P387 HydrophobicContact CD1-CB 4.5Å; L191-P387 HydrophobicContact CD1-CG 4.14Å; W208-P387 HydrophobicContact CD2-CG 4.12Å; W208-P387 HydrophobicContact CE3-CG 4.44Å; W208-P387 HydrophobicContact CH2-CG 4.3Å; W208-P387 VanDerWaalsContact CZ2-CD 3.45Å; W208-P387 HydrophobicContact CZ2-CG 4Å; D247-P387 HydrophobicContact CB-CG 3.87Å; P387-F393 HydrophobicContact CB-CD1 4.39Å; P387-F393 HydrophobicContact CB-CE1 4.08Å; P387-F393 HydrophobicContact CG-CD1 4.25Å; P387-F393 HydrophobicContact CG-CE1 3.85Å
388	H	88.3	Confident	93.5	Very high	100 Å²	100	39.9 Å²	39.9	46%	0.463	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.6	176.9	-174.3	73.3	0	0	0	112	L386 T390 A392 H394	L386-H388 PolarHBondContact O-N 3.29Å; H388-T390 PolarHBondContact O-N 3Å; H388-A392 HydrophobicContact CB-CB 4.39Å; H388-A392 PolarHBondContact N-O 3.07Å; H388-A392 CarbonylContact O-C 3.42Å; H388-A392 WeakPolarHBondContact O-CB 3.32Å; H388-A392 PolarHBondContact O-N 2.9Å; H388-A392 VanDerWaalsContact O-N 3.14Å; H388-H394 WeakPolarHBondContact CB-CD2 3.28Å; H388-H394 WeakPolarHBondContact CB-NE2 3.35Å; H388-H394 AromaticContact CD2-CD2 3.73Å; H388-H394 AromaticContact CD2-NE2 3.62Å; H388-H394 AromaticContact CE1-NE2 3.68Å; H388-H394 AromaticContact CG-CD2 3.37Å; H388-H394 AromaticContact CG-NE2 2.98Å; H388-H394 AromaticContact ND1-CD2 3.91Å; H388-H394 AromaticContact ND1-CE1 3.98Å; H388-H394 AromaticContact ND1-NE2 3.04Å; H388-H394 PolarHBondContact ND1-NE2 3.44Å
389	G	85.1	Confident	93.5	Very high	59 Å²	59	40 Å²	40	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-137.6	-174.9	0	0	0	0	0	111.6
390	T	83.3	Confident	93.4	Very high	78 Å²	78	36.2 Å²	36.2	48%	0.479	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-16.3	-173.7	56.7	0	0	0	0	114.9	R224 H388	R224-T390 WeakPolarHBondContact CB-O 3.43Å; R224-T390 PolarHBondContact N-O 3.01Å; H388-T390 PolarHBondContact O-N 3Å
391	H	84.1	Confident	93.3	Very high	140 Å²	140	36.7 Å²	36.7	65%	0.648	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-153.1	-5	-171.9	57.5	-80.8	0	0	0	114.2	T223	T223-H391 HydrophobicContact CG2-CB 4.43Å
392	A	90.1	Very high	93.1	Very high	39 Å²	39	37 Å²	37	32%	0.322	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.9	-176.7	0	0	0	0	0	111	H388	H388-A392 HydrophobicContact CB-CB 4.39Å; H388-A392 PolarHBondContact N-O 3.07Å; H388-A392 CarbonylContact O-C 3.42Å; H388-A392 WeakPolarHBondContact O-CB 3.32Å; H388-A392 PolarHBondContact O-N 2.9Å; H388-A392 VanDerWaalsContact O-N 3.14Å
393	F	93.8	Very high	93	Very high	84 Å²	84	41 Å²	41	37%	0.368	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.7	170	-64.6	-100	0	0	0	108.6	W208 L220 P385 L386 P387	W208-F393 HydrophobicContact CB-CE1 4.4Å; W208-F393 AromaticContact CD1-CD1 3.86Å; W208-F393 AromaticContact CD1-CE1 3.53Å; W208-F393 AromaticContact CG-CE1 3.98Å; W208-F393 HydrophobicContact CG-CE1 3.98Å; L220-F393 HydrophobicContact CD1-CE1 4.37Å; L220-F393 HydrophobicContact CD1-CE2 4.17Å; L220-F393 HydrophobicContact CD1-CZ 3.51Å; P385-F393 HydrophobicContact CB-CB 3.83Å; P385-F393 HydrophobicContact CB-CD1 4.44Å; P385-F393 HydrophobicContact CB-CG 4.49Å; P385-F393 WeakPolarHBondContact O-CD1 3.47Å; L386-F393 VanDerWaalsContact O-CA 3.22Å; L386-F393 WeakPolarHBondContact O-CA 3.2Å; P387-F393 HydrophobicContact CB-CD1 4.39Å; P387-F393 HydrophobicContact CB-CE1 4.08Å; P387-F393 HydrophobicContact CG-CD1 4.25Å; P387-F393 HydrophobicContact CG-CE1 3.85Å
394	H	93.6	Very high	93	Very high	31 Å²	31	36.6 Å²	36.6	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.6	175.7	58.1	67.6	0	0	0	110.8	L386 H388 Q403	L386-H394 WeakPolarHBondContact CA-O 3.48Å; L386-H394 WeakPolarHBondContact CB-O 3.39Å; L386-H394 PolarHBondContact N-O 2.91Å; L386-H394 PolarHBondContact O-N 2.77Å; H388-H394 WeakPolarHBondContact CB-CD2 3.28Å; H388-H394 WeakPolarHBondContact CB-NE2 3.35Å; H388-H394 AromaticContact CD2-CD2 3.73Å; H388-H394 AromaticContact CD2-NE2 3.62Å; H388-H394 AromaticContact CE1-NE2 3.68Å; H388-H394 AromaticContact CG-CD2 3.37Å; H388-H394 AromaticContact CG-NE2 2.98Å; H388-H394 AromaticContact ND1-CD2 3.91Å; H388-H394 AromaticContact ND1-CE1 3.98Å; H388-H394 AromaticContact ND1-NE2 3.04Å; H388-H394 PolarHBondContact ND1-NE2 3.44Å; H394-Q403 HydrophobicContact CB-CG 4.05Å
395	A	95.6	Very high	92.5	Very high	13 Å²	13	39.9 Å²	39.9	11%	0.107	23%	0.231	C	C	.	.			trans	-72	138.3	168.1	0	0	0	0	0	109.2	S382 I384 L404	S382-A395 VanDerWaalsContact O-CB 3.27Å; S382-A395 WeakPolarHBondContact O-CB 3.48Å; I384-A395 VanDerWaalsContact O-CA 3.26Å; I384-A395 WeakPolarHBondContact O-CA 3.43Å; A395-L404 HydrophobicContact CB-CB 4.34Å; A395-L404 HydrophobicContact CB-CD1 4.07Å; A395-L404 HydrophobicContact CB-CG 4.5Å; A395-L404 PolarHBondContact O-N 3.43Å
396	A	96.1	Very high	91.7	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-132.7	151.4	174	0	0	0	0	0	110	L386 T402	L386-A396 HydrophobicContact CD1-CB 3.8Å; A396-T402 CarbonylContact C-O 3.48Å; A396-T402 WeakPolarHBondContact CA-O 3.13Å
397	C	97.4	Very high	90.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	29%	0.289	C	S	.	.			trans	-59.7	123.7	173.2	175.7	0	0	0	0	109.4	F366 C369 F399 C400 A401 T402 L404	F366-C397 HydrophobicContact CB-CB 4.43Å; F366-C397 HydrophobicContact CD2-CB 4.42Å; F366-C397 HydrophobicContact CG-CB 4.38Å; C369-C397 VanDerWaalsContact SG-CB 3.59Å; C369-C397 VanDerWaalsContact SG-SG 3.64Å; C397-F399 PolarHBondContact O-N 3.49Å; C397-F399 VanDerWaalsContact O-N 3.17Å; C397-F399 PolarHBondContact SG-N 2.82Å; C397-F399 VanDerWaalsContact SG-N 3.41Å; C397-C400 PolarHBondContact O-N 3.11Å; C397-C400 VanDerWaalsContact SG-SG 3.68Å; C397-A401 VanDerWaalsContact O-CA 3.29Å; C397-A401 WeakPolarHBondContact O-CA 3.39Å; C397-A401 PolarHBondContact O-N 3.18Å; C397-T402 PolarHBondContact N-O 2.79Å; C397-L404 HydrophobicContact CB-CD2 3.9Å
398	P	97.3	Very high	90	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.8	-179.6	30.8	-38.9	0	0	0	111.8	G26 F355 F366 W381	G26-P398 PolarHBondContact N-O 2.86Å; F355-P398 HydrophobicContact CB-CB 4.35Å; F355-P398 HydrophobicContact CB-CG 4.46Å; F355-P398 HydrophobicContact CD2-CB 3.78Å; F355-P398 HydrophobicContact CD2-CG 4.32Å; F355-P398 HydrophobicContact CE2-CB 4.24Å; F355-P398 WeakPolarHBondContact CE2-O 3.26Å; F355-P398 HydrophobicContact CG-CB 4.02Å; F366-P398 HydrophobicContact CE2-CG 4.22Å; F366-P398 HydrophobicContact CZ-CG 4.32Å; W381-P398 HydrophobicContact CB-CG 4.18Å; W381-P398 HydrophobicContact CD2-CB 3.7Å; W381-P398 HydrophobicContact CD2-CG 3.74Å; W381-P398 HydrophobicContact CE3-CB 3.93Å; W381-P398 HydrophobicContact CE3-CG 4.38Å; W381-P398 HydrophobicContact CG-CB 4.15Å; W381-P398 HydrophobicContact CG-CG 3.62Å; W381-P398 HydrophobicContact CH2-CB 4.25Å; W381-P398 HydrophobicContact CZ2-CB 4.04Å; W381-P398 HydrophobicContact CZ3-CB 4.21Å
399	F	96.1	Very high	90.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-31.5	-177.5	-56.2	-68.1	0	0	0	113.5	G26 Y27 N28 G350 E352 F355 Y356 F366 H371 C373 C397	G26-F399 CarbonylContact C-O 3.53Å; Y27-F399 CarbonylContact C-O 3.58Å; Y27-F399 PolarHBondContact N-O 2.91Å; Y27-F399 VanDerWaalsContact N-O 3.08Å; N28-F399 HydrophobicContact CB-CB 4.06Å; N28-F399 WeakPolarHBondContact CB-O 3.38Å; N28-F399 PolarHBondContact N-O 2.96Å; N28-F399 WeakPolarHBondContact OD1-CD1 3.44Å; G350-F399 VanDerWaalsContact CA-CZ 3.47Å; E352-F399 HydrophobicContact CB-CD1 4.26Å; E352-F399 HydrophobicContact CB-CE1 4.23Å; F355-F399 HydrophobicContact CB-CE1 4.03Å; F355-F399 HydrophobicContact CB-CZ 4.22Å; F355-F399 AromaticContact CD2-CD1 3.62Å; F355-F399 HydrophobicContact CD2-CD1 3.62Å; F355-F399 AromaticContact CD2-CE1 3.6Å; F355-F399 HydrophobicContact CD2-CE1 3.6Å; F355-F399 HydrophobicContact CD2-CG 4.46Å; F355-F399 HydrophobicContact CD2-CZ 4.43Å; F355-F399 HydrophobicContact CE2-CD1 4.23Å; F355-F399 HydrophobicContact CG-CE1 4.3Å; Y356-F399 HydrophobicContact CE2-CE1 4.24Å; Y356-F399 AromaticContact CE2-CZ 3.97Å; Y356-F399 HydrophobicContact CE2-CZ 3.97Å; F366-F399 HydrophobicContact CD2-CD2 4.27Å; F366-F399 HydrophobicContact CD2-CE2 4.47Å; F366-F399 AromaticContact CE2-CD2 3.95Å; F366-F399 HydrophobicContact CE2-CD2 3.95Å; F366-F399 AromaticContact CE2-CE2 3.81Å; F366-F399 HydrophobicContact CE2-CE2 3.81Å; H371-F399 HydrophobicContact CB-CB 4.39Å; H371-F399 HydrophobicContact CB-CD2 3.97Å; C373-F399 HydrophobicContact CB-CE2 4.04Å; C373-F399 HydrophobicContact CB-CZ 4.26Å; C397-F399 PolarHBondContact O-N 3.49Å; C397-F399 VanDerWaalsContact O-N 3.17Å; C397-F399 PolarHBondContact SG-N 2.82Å; C397-F399 VanDerWaalsContact SG-N 3.41Å
400	C	94.5	Very high	90.7	Very high	11 Å²	11	50 Å²	50	7%	0.074	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	2.3	-175.6	69.6	0	0	0	0	115.6	G26 G122 H371 C397 T402	G26-C400 CarbonylContact O-C 3.45Å; G26-C400 WeakPolarHBondContact O-CA 3.5Å; G122-C400 PolarHBondContact N-O 2.91Å; H371-C400 VanDerWaalsContact CE1-CB 3.43Å; H371-C400 WeakPolarHBondContact CE1-CB 3.42Å; H371-C400 PolarHBondContact ND1-SG 3.37Å; H371-C400 VanDerWaalsContact ND1-SG 3.42Å; C397-C400 PolarHBondContact O-N 3.11Å; C397-C400 VanDerWaalsContact SG-SG 3.68Å; C400-T402 PolarHBondContact O-N 2.98Å; C400-T402 PolarHBondContact SG-OG1 3Å
401	A	94.4	Very high	91.4	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	26%	0.26	C	S	.	.			trans	55.7	17	-178.8	0	0	0	0	0	115	T119 S121 C397 Q403	T119-A401 HydrophobicContact CG2-CB 3.46Å; T119-A401 VanDerWaalsContact CG2-CB 3.46Å; S121-A401 PolarHBondContact OG-O 3.21Å; S121-A401 VanDerWaalsContact OG-O 3.06Å; C397-A401 VanDerWaalsContact O-CA 3.29Å; C397-A401 WeakPolarHBondContact O-CA 3.39Å; C397-A401 PolarHBondContact O-N 3.18Å; A401-Q403 PolarHBondContact O-N 2.68Å
402	T	94.3	Very high	92	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.043	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.9	127	167	-58.4	0	0	0	0	108.2	T123 P368 C369 A396 C397 C400 L404	T123-T402 HydrophobicContact CG2-CG2 3.79Å; P368-T402 HydrophobicContact CG-CG2 4.11Å; C369-T402 HydrophobicContact CB-CG2 4.08Å; A396-T402 CarbonylContact C-O 3.48Å; A396-T402 WeakPolarHBondContact CA-O 3.13Å; C397-T402 PolarHBondContact N-O 2.79Å; C400-T402 PolarHBondContact O-N 2.98Å; C400-T402 PolarHBondContact SG-OG1 3Å; T402-L404 PolarHBondContact O-N 3.21Å
403	Q	94.1	Very high	92.3	Very high	92 Å²	92	45 Å²	45	43%	0.43	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-56.9	130.3	172.7	-179.7	175	3.2	0	0	109.6	P368 H394 A401	P368-Q403 WeakPolarHBondContact CD-O 3.44Å; H394-Q403 HydrophobicContact CB-CG 4.05Å; A401-Q403 PolarHBondContact O-N 2.68Å
404	L	94.1	Very high	92.4	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.047	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-80.2	141.9	179	-56.7	178	0	0	0	110.2	F366 T367 A395 C397 T402 N409	F366-L404 HydrophobicContact CB-CD2 3.71Å; F366-L404 HydrophobicContact CD1-CD1 3.6Å; F366-L404 HydrophobicContact CD1-CD2 3.83Å; F366-L404 HydrophobicContact CD1-CG 4.39Å; F366-L404 HydrophobicContact CE1-CD1 3.94Å; F366-L404 HydrophobicContact CG-CD2 4.04Å; T367-L404 WeakPolarHBondContact O-CA 3.22Å; T367-L404 WeakPolarHBondContact O-CD2 3.46Å; A395-L404 HydrophobicContact CB-CB 4.34Å; A395-L404 HydrophobicContact CB-CD1 4.07Å; A395-L404 HydrophobicContact CB-CG 4.5Å; A395-L404 PolarHBondContact O-N 3.43Å; C397-L404 HydrophobicContact CB-CD2 3.9Å; T402-L404 PolarHBondContact O-N 3.21Å; L404-N409 HydrophobicContact CB-CB 3.68Å; L404-N409 HydrophobicContact CD1-CB 3.97Å; L404-N409 HydrophobicContact CG-CB 4.42Å
405	V	84.8	Confident	92.3	Very high	71 Å²	71	42.5 Å²	42.5	43%	0.43	23%	0.229	S	C	.	.			trans	-137.2	150.9	-178.6	-55.6	0	0	0	0	110.3	T367 P368	T367-V405 WeakPolarHBondContact CB-O 3.35Å; T367-V405 WeakPolarHBondContact CG2-O 3.31Å; T367-V405 PolarHBondContact O-N 3.41Å; P368-V405 HydrophobicContact CB-CG2 4.13Å; P368-V405 HydrophobicContact CG-CG2 3.97Å
406	G	78.1	Confident	91.5	Very high	58 Å²	58	45 Å²	45	60%	0.598	24%	0.239	S	C	*	.	S	Bend	trans	112.9	174.7	-179.7	0	0	0	0	0	112.7	Q408 N409	G406-Q408 VanDerWaalsContact C-N 3.35Å; G406-Q408 PolarHBondContact O-N 3.16Å; G406-N409 PolarHBondContact O-OD1 3.45Å
407	E	75.4	Confident	90.1	Very high	205 Å²	205	46.9 Å²	46.9	96%	0.958	26%	0.258	S	S	*	.	S	Bend	trans	-64.2	-37.4	-174.4	-69	-174.2	166.8	0	0	113.3
408	Q	80.1	Confident	88.1	Confident	142 Å²	142	52.5 Å²	52.5	66%	0.664	29%	0.294	S	S	*	.	S	Bend	trans	-116.4	1.7	-177.6	-64.1	-170.9	-8	0	0	113.8	S382 G406 C410	S382-Q408 PolarHBondContact OG-O 3.2Å; G406-Q408 VanDerWaalsContact C-N 3.35Å; G406-Q408 PolarHBondContact O-N 3.16Å; Q408-C410 PolarHBondContact O-N 3.4Å; Q408-C410 PolarHBondContact O-SG 2.65Å; Q408-C410 VanDerWaalsContact O-SG 3.35Å
409	N	92.2	Very high	86.3	Confident	35 Å²	35	54.8 Å²	54.8	19%	0.187	31%	0.306	C	S	.	.	S	Bend	trans	57.2	-4.8	-177	-68.4	-28.2	0	0	0	116.1	T367 S382 L404 G406	T367-N409 PolarHBondContact N-O 3.25Å; S382-N409 PolarHBondContact O-ND2 3.37Å; S382-N409 WeakPolarHBondContact OG-CB 3.3Å; L404-N409 HydrophobicContact CB-CB 3.68Å; L404-N409 HydrophobicContact CD1-CB 3.97Å; L404-N409 HydrophobicContact CG-CB 4.42Å; G406-N409 PolarHBondContact O-OD1 3.45Å
410	C	95.9	Very high	84.1	Confident	10 Å²	10	60.6 Å²	60.6	7%	0.068	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.4	176.5	64.1	0	0	0	0	109.5	A365 F366 A378 Q408	A365-C410 CarbonylContact O-C 3.51Å; A365-C410 WeakPolarHBondContact O-CA 3.4Å; A365-C410 WeakPolarHBondContact O-CB 3.39Å; F366-C410 HydrophobicContact CD1-CB 4.3Å; A378-C410 HydrophobicContact CB-CB 4Å; Q408-C410 PolarHBondContact O-N 3.4Å; Q408-C410 PolarHBondContact O-SG 2.65Å; Q408-C410 VanDerWaalsContact O-SG 3.35Å
411	I	96.5	Very high	83.5	Confident	32 Å²	32	63.1 Å²	63.1	16%	0.164	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.3	-178.7	-166.3	157.9	0	0	0	111.3	L311 G314 H364 A365	L311-I411 HydrophobicContact CD2-CG2 4.09Å; L311-I411 VanDerWaalsContact O-CD1 3.23Å; L311-I411 WeakPolarHBondContact O-CD1 3.28Å; G314-I411 VanDerWaalsContact N-CD1 3.35Å; H364-I411 CarbonylContact C-O 3.46Å; H364-I411 VanDerWaalsContact CA-O 3.29Å; H364-I411 WeakPolarHBondContact CA-O 3.09Å; A365-I411 PolarHBondContact N-O 3.02Å; A365-I411 PolarHBondContact O-N 3.35Å
412	K	97.2	Very high	83	Confident	115 Å²	115	65.4 Å²	65.4	50%	0.5	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.1	171	-174.1	179.7	176.7	-175	0	109.3	G314	G314-K412 VanDerWaalsContact CA-O 3.26Å; G314-K412 WeakPolarHBondContact CA-O 3.26Å
413	L	97.2	Very high	82.3	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	38%	0.378	C	S	.	.			trans	-79.1	140.5	173.3	-63	178.6	0	0	0	110.3	A309 G314 V316 L347 T363 A365 V372 F415	A309-L413 HydrophobicContact CB-CD2 4.03Å; G314-L413 WeakPolarHBondContact O-CA 3.19Å; V316-L413 HydrophobicContact CG2-CB 4Å; V316-L413 HydrophobicContact CG2-CD2 4.06Å; V316-L413 HydrophobicContact CG2-CG 4.48Å; L347-L413 HydrophobicContact CD1-CD1 3.67Å; L347-L413 HydrophobicContact CD1-CD2 3.88Å; L347-L413 HydrophobicContact CD1-CG 4.42Å; L347-L413 HydrophobicContact CD2-CD2 4.23Å; T363-L413 WeakPolarHBondContact O-CB 3.45Å; T363-L413 PolarHBondContact O-N 3.42Å; A365-L413 HydrophobicContact CB-CD1 4.39Å; A365-L413 HydrophobicContact CB-CD2 3.79Å; A365-L413 HydrophobicContact CB-CG 4.19Å; V372-L413 HydrophobicContact CB-CD1 4.47Å; V372-L413 HydrophobicContact CG1-CD1 3.63Å; V372-L413 HydrophobicContact CG2-CD1 3.93Å; L413-F415 HydrophobicContact CB-CD2 4.36Å; L413-F415 HydrophobicContact CB-CE2 3.88Å; L413-F415 HydrophobicContact CD1-CE2 4.18Å; L413-F415 HydrophobicContact CD1-CZ 4.35Å
414	I	95.8	Very high	81.6	Confident	54 Å²	54	67.2 Å²	67.2	28%	0.277	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-121.7	105.3	-179.7	-55.1	174.8	0	0	0	107.3	C313 G314 V316 D420	C313-I414 WeakPolarHBondContact O-CD1 3.47Å; G314-I414 PolarHBondContact O-N 3.37Å; V316-I414 PolarHBondContact N-O 3.39Å; I414-D420 WeakPolarHBondContact CA-OD2 3.49Å; I414-D420 VanDerWaalsContact CG2-OD2 3.3Å; I414-D420 WeakPolarHBondContact CG2-OD2 3.2Å
415	F	91.6	Very high	80.9	Confident	10 Å²	10	70.9 Å²	70.9	4%	0.044	40%	0.396	C	S	.	.			trans	-92.9	141.5	178.3	-71.5	-91.3	0	0	0	110.6	P282 F293 V316 L413 G417 I419 D420	P282-F415 HydrophobicContact CB-CD1 3.56Å; P282-F415 HydrophobicContact CB-CE1 4.11Å; P282-F415 HydrophobicContact CB-CG 4.44Å; P282-F415 HydrophobicContact CG-CD1 4.26Å; P282-F415 HydrophobicContact CG-CE1 4.35Å; F293-F415 HydrophobicContact CE2-CZ 4.04Å; F293-F415 HydrophobicContact CZ-CZ 4.44Å; V316-F415 HydrophobicContact CB-CD1 3.93Å; V316-F415 HydrophobicContact CB-CE1 4.1Å; V316-F415 HydrophobicContact CB-CG 4.36Å; V316-F415 HydrophobicContact CG1-CD1 3.8Å; V316-F415 HydrophobicContact CG1-CE1 3.6Å; V316-F415 HydrophobicContact CG1-CZ 4.31Å; V316-F415 HydrophobicContact CG2-CD1 4.12Å; V316-F415 HydrophobicContact CG2-CD2 4.3Å; V316-F415 HydrophobicContact CG2-CE1 4.04Å; V316-F415 HydrophobicContact CG2-CE2 4.19Å; V316-F415 HydrophobicContact CG2-CG 4.27Å; V316-F415 HydrophobicContact CG2-CZ 4.06Å; L413-F415 HydrophobicContact CB-CD2 4.36Å; L413-F415 HydrophobicContact CB-CE2 3.88Å; L413-F415 HydrophobicContact CD1-CE2 4.18Å; L413-F415 HydrophobicContact CD1-CZ 4.35Å; F415-G417 PolarHBondContact O-N 3.21Å; F415-I419 HydrophobicContact CB-CB 4.11Å; F415-I419 HydrophobicContact CB-CD1 4.3Å; F415-I419 HydrophobicContact CB-CG2 4.33Å; F415-I419 HydrophobicContact CD1-CD1 4.39Å; F415-I419 HydrophobicContact CD2-CG2 3.9Å; F415-I419 HydrophobicContact CG-CB 4.49Å; F415-I419 HydrophobicContact CG-CD1 4.29Å; F415-I419 HydrophobicContact CG-CG2 4.24Å; F415-D420 PolarHBondContact N-OD1 2.99Å; F415-D420 PolarHBondContact N-OD2 3.15Å; F415-D420 VanDerWaalsContact O-OD2 3.06Å
416	Q	78	Confident	80.6	Confident	66 Å²	66	70.9 Å²	70.9	31%	0.308	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-83.3	104.9	169.9	-60.3	-66.7	-47.8	0	0	109	Q283 P285	Q283-Q416 PolarHBondContact N-O 3.4Å; P285-Q416 HydrophobicContact CB-CG 3.8Å; P285-Q416 HydrophobicContact CG-CB 4.44Å; P285-Q416 HydrophobicContact CG-CG 3.55Å
417	G	66.6	Low	80.8	Confident	43 Å²	43	71.8 Å²	71.8	44%	0.443	38%	0.379	S	S	.	.	S	Bend	trans	141	-172.9	-179.2	0	0	0	0	0	113.1	F415 I419	F415-G417 PolarHBondContact O-N 3.21Å; G417-I419 PolarHBondContact O-N 2.76Å
418	P	56.2	Low	81.2	Confident	118 Å²	118	61.5 Å²	61.5	77%	0.766	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	24.5	-170.5	31.3	-35.9	0	0	0	115.2
419	I	58.9	Low	81.3	Confident	49 Å²	49	54.8 Å²	54.8	25%	0.251	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-21.9	-179.8	-64.1	168.6	0	0	0	111.4	A280 P282 F415 G417	A280-I419 HydrophobicContact CB-CD1 3.73Å; A280-I419 HydrophobicContact CB-CG1 3.35Å; P282-I419 HydrophobicContact CB-CD1 3.55Å; P282-I419 HydrophobicContact CG-CD1 3.74Å; F415-I419 HydrophobicContact CB-CB 4.11Å; F415-I419 HydrophobicContact CB-CD1 4.3Å; F415-I419 HydrophobicContact CB-CG2 4.33Å; F415-I419 HydrophobicContact CD1-CD1 4.39Å; F415-I419 HydrophobicContact CD2-CG2 3.9Å; F415-I419 HydrophobicContact CG-CB 4.49Å; F415-I419 HydrophobicContact CG-CD1 4.29Å; F415-I419 HydrophobicContact CG-CG2 4.24Å; G417-I419 PolarHBondContact O-N 2.76Å
420	D	49.2	Very low	80.3	Confident	123 Å²	123	56.6 Å²	56.6	66%	0.658	32%	0.318	S	S	*	.			trans	-96.9	0	-176	-75	0.8	0	0	0	113.8	I414 F415	I414-D420 WeakPolarHBondContact CA-OD2 3.49Å; I414-D420 VanDerWaalsContact CG2-OD2 3.3Å; I414-D420 WeakPolarHBondContact CG2-OD2 3.2Å; F415-D420 PolarHBondContact N-OD1 2.99Å; F415-D420 PolarHBondContact N-OD2 3.15Å; F415-D420 VanDerWaalsContact O-OD2 3.06Å

Retrieved 420 of 420 residues in 1232.8 ms (Link to these results)

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