A0A061I3S9_CRIGR Loading...

Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-2-like protein

Guanine nucleotide-binding proteins (G proteins) are involved as a modulator or transducer in various transmembrane signaling systems. The beta and gamma chains are required for the GTPase activity, for replacement of GDP by GTP, and for G protein-effector interaction.

AlphaFold DB , UniProt , Accession A0A061I3S9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 296 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	89.1	Confident	96.1	Very high	100 Å²	100	86.4 Å²	86.4	49%	0.493	39%	0.391	S	S	.	.				0	164.8	0	-59.5	168.5	170.9	0	0	108.8	I252 L264 V283 W295	M1-I252 HydrophobicContact CE-CD1 4.21Å; M1-I252 HydrophobicContact CG-CD1 4.46Å; M1-I252 HydrophobicContact SD-CD1 4.06Å; M1-L264 HydrophobicContact CB-CD2 3.7Å; M1-L264 HydrophobicContact CG-CD2 4.16Å; M1-L264 HydrophobicContact SD-CD1 4.31Å; M1-L264 HydrophobicContact SD-CD2 4.09Å; M1-V283 HydrophobicContact CE-CG2 4.32Å; M1-V283 HydrophobicContact SD-CG2 4.25Å; M1-W295 HydrophobicContact CB-CB 4.08Å; M1-W295 HydrophobicContact SD-CB 4.23Å
2	R	94.3	Very high	96.2	Very high	188 Å²	188	81.5 Å²	81.5	71%	0.709	38%	0.378	S	S	*	.			trans	-118.8	146.6	174.7	-67.6	-175	-179.2	-176.1	1.3	110.3	R4 W295 N296	R2-R4 PolarHBondContact O-N 3.2Å; R2-W295 WeakPolarHBondContact O-CA 3.12Å; R2-N296 PolarHBondContact N-O 3.26Å; R2-N296 PolarHBondContact O-N 3.06Å
3	T	96.5	Very high	96.3	Very high	56 Å²	56	81 Å²	81	34%	0.344	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.1	172	-47.5	0	0	0	0	109.6	R5 K293 W295	T3-R5 WeakPolarHBondContact CG2-O 3.48Å; T3-K293 HydrophobicContact CG2-CB 4.05Å; T3-K293 HydrophobicContact CG2-CD 4.38Å; T3-K293 HydrophobicContact CG2-CG 4.17Å; T3-W295 WeakPolarHBondContact OG1-CH2 3.23Å; T3-W295 WeakPolarHBondContact OG1-CZ3 3.43Å
4	R	96.9	Very high	96.5	Very high	124 Å²	124	75.2 Å²	75.2	47%	0.468	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-31.8	176.2	-62.3	-50.5	-178.7	163.5	3.9	113.3	R2 I294 N296	R2-R4 PolarHBondContact O-N 3.2Å; R4-I294 PolarHBondContact N-O 3.03Å; R4-N296 WeakPolarHBondContact CD-OD1 3.3Å; R4-N296 WeakPolarHBondContact CG-OD1 3.38Å; R4-N296 PolarHBondContact NE-OD1 2.81Å
5	R	97.1	Very high	96.6	Very high	115 Å²	115	74.3 Å²	74.3	43%	0.434	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.2	-179.8	-57.5	-67	-174.9	-92.9	0.2	109.8	T3 Y41 T43 I294	T3-R5 WeakPolarHBondContact CG2-O 3.48Å; R5-Y41 PolarHBondContact NE-O 2.89Å; R5-T43 HydrophobicContact CB-CG2 4.06Å; R5-T43 HydrophobicContact CG-CG2 4.1Å; R5-I294 HydrophobicContact CB-CB 4.14Å; R5-I294 HydrophobicContact CB-CD1 3.97Å; R5-I294 HydrophobicContact CB-CG1 4.43Å; R5-I294 HydrophobicContact CG-CD1 4.4Å; R5-I294 PolarHBondContact N-O 2.59Å; R5-I294 PolarHBondContact O-N 2.87Å
6	T	97.8	Very high	96.7	Very high	32 Å²	32	70.4 Å²	70.4	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.5	170.4	-55	0	0	0	0	107.6	R8 F291 L292 K293	T6-R8 HydrophobicContact CG2-CG 4.24Å; T6-F291 HydrophobicContact CG2-CB 4.28Å; T6-F291 HydrophobicContact CG2-CD1 4.18Å; T6-F291 HydrophobicContact CG2-CG 4.35Å; T6-L292 CarbonylContact C-O 3.56Å; T6-L292 WeakPolarHBondContact CA-O 3.35Å; T6-K293 HydrophobicContact CG2-CG 4.47Å
7	L	97.8	Very high	96.8	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.9	179.6	-51	-179.7	0	0	0	108.4	L26 W38 T43 L292 I294	L7-L26 HydrophobicContact CD1-CD1 4.34Å; L7-L26 HydrophobicContact CD1-CD2 4.05Å; L7-W38 HydrophobicContact CB-CD2 4.17Å; L7-W38 HydrophobicContact CB-CE3 3.97Å; L7-W38 HydrophobicContact CB-CH2 4.3Å; L7-W38 HydrophobicContact CB-CZ2 4.49Å; L7-W38 HydrophobicContact CB-CZ3 4.03Å; L7-W38 HydrophobicContact CD1-CB 3.94Å; L7-W38 HydrophobicContact CD1-CD2 4.01Å; L7-W38 HydrophobicContact CD1-CE3 4.37Å; L7-W38 HydrophobicContact CD1-CG 3.82Å; L7-W38 HydrophobicContact CD2-CE3 4.33Å; L7-W38 HydrophobicContact CG-CE3 4.46Å; L7-T43 HydrophobicContact CD2-CG2 3.83Å; L7-L292 HydrophobicContact CB-CB 4.1Å; L7-L292 HydrophobicContact CB-CD1 4.49Å; L7-L292 HydrophobicContact CD1-CB 4.09Å; L7-L292 HydrophobicContact CG-CB 4.31Å; L7-L292 PolarHBondContact N-O 3.36Å; L7-L292 PolarHBondContact O-N 3Å; L7-I294 HydrophobicContact CD1-CD1 4.21Å; L7-I294 HydrophobicContact CD2-CD1 4.33Å; L7-I294 HydrophobicContact CG-CD1 4.35Å
8	R	97.2	Very high	96.9	Very high	155 Å²	155	66.1 Å²	66.1	59%	0.585	31%	0.305	S	S	*	.			trans	-119	130.1	-177.2	-58	-171.1	172.2	81	-3.1	110.2	T6 W38 K45 F291	T6-R8 HydrophobicContact CG2-CG 4.24Å; R8-W38 WeakPolarHBondContact O-CH2 3.4Å; R8-K45 WeakPolarHBondContact O-CE 3.31Å; R8-K45 PolarHBondContact O-NZ 2.67Å; R8-F291 HydrophobicContact CB-CE1 4.37Å; R8-F291 HydrophobicContact CG-CD1 3.82Å; R8-F291 HydrophobicContact CG-CE1 3.72Å
9	G	95.4	Very high	97	Very high	27 Å²	27	63.2 Å²	63.2	28%	0.278	29%	0.291	S	S	.	.			trans	164.3	-17.2	174.9	0	0	0	0	0	116.5
10	H	97.9	Very high	97.1	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.056	28%	0.277	C	S	.	.			trans	-74.2	147.2	167.6	-71.8	-59.2	0	0	0	110.4	I14 S28 S30 D32 I36	H10-I14 HydrophobicContact CB-CG1 4.28Å; H10-S28 PolarHBondContact NE2-OG 2.74Å; H10-S30 WeakPolarHBondContact ND1-CB 3.48Å; H10-D32 IonicContact ND1-OD1 2.7Å; H10-D32 IonicContact ND1-OD2 3.5Å; H10-I36 VanDerWaalsContact CE1-CD1 3.49Å; H10-I36 WeakPolarHBondContact CE1-CD1 3.18Å
11	L	96.7	Very high	97	Very high	140 Å²	140	60.7 Å²	60.7	73%	0.733	29%	0.285	S	S	*	.	S	Bend	trans	-106.3	-6.3	179.1	-59.5	178.4	0	0	0	112.7	D32	L11-D32 HydrophobicContact CB-CB 4.18Å; L11-D32 PolarHBondContact N-OD2 2.73Å
12	A	97.7	Very high	97.3	Very high	28 Å²	28	59.7 Å²	59.7	23%	0.231	28%	0.282	C	S	.	.	S	Bend	trans	-142.2	179.3	177.6	0	0	0	0	0	111.1	I14 S30 Q31 D32 S290	A12-I14 PolarHBondContact O-N 2.74Å; A12-S30 VanDerWaalsContact C-OG 3.23Å; A12-S30 PolarHBondContact O-OG 3.11Å; A12-Q31 HydrophobicContact CB-CB 4.27Å; A12-D32 HydrophobicContact CB-CB 3.89Å; A12-S290 WeakPolarHBondContact O-CB 3.5Å; A12-S290 PolarHBondContact O-OG 3.47Å; A12-S290 VanDerWaalsContact O-OG 3.07Å
13	K	98.1	Very high	97.5	Very high	75 Å²	75	51.2 Å²	51.2	33%	0.326	25%	0.252	S	S	.	.			trans	-50.8	128.6	-178.7	-59.2	175.6	176.4	-174.5	0	111.7	Y15 S30 Q31 W288	K13-Y15 HydrophobicContact CB-CD2 4.39Å; K13-Y15 HydrophobicContact CB-CE2 4.14Å; K13-S30 WeakPolarHBondContact O-CA 3.48Å; K13-S30 PolarHBondContact O-OG 2.82Å; K13-S30 VanDerWaalsContact O-OG 3.12Å; K13-Q31 PolarHBondContact O-N 2.94Å; K13-W288 HydrophobicContact CB-CB 4.17Å; K13-W288 HydrophobicContact CB-CD2 4.5Å; K13-W288 HydrophobicContact CB-CG 3.9Å; K13-W288 HydrophobicContact CD-CB 4.23Å; K13-W288 HydrophobicContact CD-CD2 3.65Å; K13-W288 HydrophobicContact CD-CE3 3.92Å; K13-W288 HydrophobicContact CD-CG 3.83Å; K13-W288 HydrophobicContact CG-CB 3.85Å; K13-W288 HydrophobicContact CG-CD2 4.22Å; K13-W288 HydrophobicContact CG-CG 3.84Å
14	I	98.6	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.8	170.5	-63.2	155.5	0	0	0	107.8	H10 A12 A29 S272 S287 F291 L292	H10-I14 HydrophobicContact CB-CG1 4.28Å; A12-I14 PolarHBondContact O-N 2.74Å; I14-A29 WeakPolarHBondContact CA-O 3.37Å; I14-S272 VanDerWaalsContact O-CB 3.28Å; I14-S272 WeakPolarHBondContact O-CB 3.2Å; I14-S272 PolarHBondContact O-OG 3.4Å; I14-S287 PolarHBondContact N-O 3.49Å; I14-F291 VanDerWaalsContact CD1-C 3.48Å; I14-F291 WeakPolarHBondContact CD1-O 3.32Å; I14-L292 HydrophobicContact CD1-CD1 3.42Å; I14-L292 VanDerWaalsContact CD1-CD1 3.42Å; I14-L292 HydrophobicContact CD1-CG 3.87Å; I14-L292 HydrophobicContact CG1-CD1 4.37Å
15	Y	98.3	Very high	97.5	Very high	61 Å²	61	49.3 Å²	49.3	24%	0.239	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-42.8	178	-96.7	-109.2	0	0	0	112.4	K13 A29 Q31 W288	K13-Y15 HydrophobicContact CB-CD2 4.39Å; K13-Y15 HydrophobicContact CB-CE2 4.14Å; Y15-A29 PolarHBondContact N-O 3.49Å; Y15-Q31 HydrophobicContact CD2-CG 3.72Å; Y15-Q31 HydrophobicContact CE2-CG 3.69Å; Y15-Q31 PolarHBondContact OH-NE2 3.33Å; Y15-W288 HydrophobicContact CE2-CZ2 4.25Å; Y15-W288 AromaticContact CE2-NE1 3.62Å; Y15-W288 AromaticContact CZ-CZ2 3.87Å; Y15-W288 AromaticContact CZ-NE1 3.98Å; Y15-W288 WeakPolarHBondContact OH-CZ2 3.46Å
16	A	98.4	Very high	97.6	Very high	12 Å²	12	43.9 Å²	43.9	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.3	-177.5	0	0	0	0	0	111.5	S28 A29 M57	A16-S28 WeakPolarHBondContact O-CA 3.47Å; A16-A29 PolarHBondContact O-N 3.36Å; A16-M57 WeakPolarHBondContact CB-O 3.32Å
17	M	98.6	Very high	97.6	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154	166.7	71	78.8	52.7	0	0	109.1	W19 L26 V27 C273 A284 L292	M17-W19 HydrophobicContact CE-CD2 4.28Å; M17-W19 HydrophobicContact CE-CG 4.21Å; M17-L26 HydrophobicContact CE-CB 4.05Å; M17-L26 HydrophobicContact CE-CD1 3.84Å; M17-L26 HydrophobicContact CE-CD2 4.43Å; M17-L26 HydrophobicContact CE-CG 4.32Å; M17-V27 CarbonylContact C-O 3.52Å; M17-V27 WeakPolarHBondContact CA-O 3.25Å; M17-V27 WeakPolarHBondContact CB-O 3.25Å; M17-C273 HydrophobicContact CG-CB 4.14Å; M17-A284 HydrophobicContact CE-CB 3.54Å; M17-A284 HydrophobicContact SD-CB 4.25Å; M17-L292 HydrophobicContact CB-CD2 3.95Å; M17-L292 HydrophobicContact CG-CD2 4.33Å
18	H	98.8	Very high	97.7	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.245	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	130.4	173.8	-166.7	-159.4	0	0	0	109.4	L26 V27 Y61	H18-L26 WeakPolarHBondContact O-CA 3.5Å; H18-V27 HydrophobicContact CB-CG1 4.02Å; H18-V27 PolarHBondContact N-O 2.98Å; H18-V27 PolarHBondContact O-N 3.45Å; H18-Y61 PolarHBondContact ND1-N 3.39Å; H18-Y61 VanDerWaalsContact ND1-N 3.16Å
19	W	98.6	Very high	97.7	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	146.9	172.1	-73.9	108.6	0	0	0	110.7	M17 L26 G275 T277 A284 I294	M17-W19 HydrophobicContact CE-CD2 4.28Å; M17-W19 HydrophobicContact CE-CG 4.21Å; W19-L26 HydrophobicContact CD2-CB 4.05Å; W19-L26 HydrophobicContact CD2-CD2 4.35Å; W19-L26 HydrophobicContact CE3-CB 3.67Å; W19-L26 HydrophobicContact CE3-CD2 3.86Å; W19-L26 HydrophobicContact CE3-CG 4.4Å; W19-L26 HydrophobicContact CH2-CD2 3.49Å; W19-L26 VanDerWaalsContact CH2-CD2 3.49Å; W19-L26 HydrophobicContact CZ2-CD2 4.03Å; W19-L26 HydrophobicContact CZ3-CB 4.08Å; W19-L26 HydrophobicContact CZ3-CD2 3.4Å; W19-L26 VanDerWaalsContact CZ3-CD2 3.4Å; W19-L26 HydrophobicContact CZ3-CG 4.34Å; W19-G275 PolarHBondContact NE1-O 2.74Å; W19-T277 HydrophobicContact CD2-CG2 3.67Å; W19-T277 HydrophobicContact CE3-CG2 3.82Å; W19-T277 HydrophobicContact CG-CG2 4.22Å; W19-T277 HydrophobicContact CH2-CG2 3.97Å; W19-T277 HydrophobicContact CZ2-CG2 3.8Å; W19-T277 HydrophobicContact CZ3-CG2 3.97Å; W19-A284 HydrophobicContact CH2-CB 4.44Å; W19-A284 HydrophobicContact CZ2-CB 3.41Å; W19-A284 VanDerWaalsContact CZ2-CB 3.41Å; W19-I294 HydrophobicContact CH2-CD1 4.32Å; W19-I294 HydrophobicContact CH2-CG1 4.37Å
20	G	97.6	Very high	97.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.169	C	C	.	.			trans	-78.3	159.5	162.2	0	0	0	0	0	111	D22 S23 L25	G20-D22 PolarHBondContact O-N 3.44Å; G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 VanDerWaalsContact O-N 3.1Å; G20-L25 PolarHBondContact N-O 3.25Å
21	T	96.1	Very high	97.8	Very high	73 Å²	73	34.7 Å²	34.7	45%	0.448	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.4	179.3	49.4	0	0	0	0	113.5	S23 P63 D278	T21-S23 PolarHBondContact O-N 3.39Å; T21-P63 HydrophobicContact CG2-CB 4.12Å; T21-P63 PolarHBondContact OG1-O 3.24Å; T21-D278 WeakPolarHBondContact CA-OD2 3.43Å
22	D	96	Very high	97.7	Very high	79 Å²	79	30 Å²	30	42%	0.422	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.9	174.6	73.3	-11.8	0	0	0	113.6	G20 R24 L25	G20-D22 PolarHBondContact O-N 3.44Å; D22-R24 PolarHBondContact O-N 2.82Å; D22-R24 PolarHBondContact OD1-N 2.85Å; D22-L25 PolarHBondContact OD1-N 2.84Å; D22-L25 VanDerWaalsContact OD2-CG 3.31Å; D22-L25 WeakPolarHBondContact OD2-CG 3.33Å
23	S	97	Very high	97.6	Very high	10 Å²	10	29.1 Å²	29.1	7%	0.07	14%	0.143	C	C	.	.	S	Bend	trans	55.2	21.8	-177.5	-61.5	0	0	0	0	113.8	G20 T21 D278 D279	G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 VanDerWaalsContact O-N 3.1Å; T21-S23 PolarHBondContact O-N 3.39Å; S23-D278 PolarHBondContact OG-N 2.69Å; S23-D279 PolarHBondContact OG-N 3.34Å
24	R	97	Very high	97.6	Very high	104 Å²	104	29.3 Å²	29.3	39%	0.392	14%	0.144	S	C	.	.	S	Bend	trans	-130.3	-51.4	-176.3	177.9	-178.7	176.1	-176.5	-2.9	111.6	D22 D39 S40 Y41	D22-R24 PolarHBondContact O-N 2.82Å; D22-R24 PolarHBondContact OD1-N 2.85Å; R24-D39 WeakPolarHBondContact CG-OD1 3.42Å; R24-D39 IonicContact CZ-OD1 3.13Å; R24-D39 IonicContact CZ-OD2 2.74Å; R24-D39 IonicContact NE-OD1 3.64Å; R24-D39 PolarHBondContact NE-OD1 2.86Å; R24-D39 IonicContact NE-OD2 2.73Å; R24-D39 PolarHBondContact NE-OD2 3.45Å; R24-D39 IonicContact NH2-OD1 3.68Å; R24-D39 IonicContact NH2-OD2 3.5Å; R24-D39 PolarHBondContact NH2-OD2 3.44Å; R24-S40 WeakPolarHBondContact O-CB 3.22Å; R24-S40 PolarHBondContact O-N 2.86Å; R24-S40 PolarHBondContact O-OG 2.99Å; R24-Y41 HydrophobicContact CG-CD1 4.29Å; R24-Y41 HydrophobicContact CG-CE1 4.47Å; R24-Y41 HydrophobicContact CG-CG 4.35Å
25	L	98.1	Very high	97.5	Very high	36 Å²	36	29.3 Å²	29.3	19%	0.188	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.8	177.5	-64.5	177.6	0	0	0	109.6	G20 D22 W38 D39 V46	G20-L25 PolarHBondContact N-O 3.25Å; D22-L25 PolarHBondContact OD1-N 2.84Å; D22-L25 VanDerWaalsContact OD2-CG 3.31Å; D22-L25 WeakPolarHBondContact OD2-CG 3.33Å; L25-W38 WeakPolarHBondContact CA-O 3.41Å; L25-W38 WeakPolarHBondContact CD2-O 3.21Å; L25-D39 HydrophobicContact CD2-CB 4.24Å; L25-V46 HydrophobicContact CD2-CG2 3.92Å
26	L	98.4	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.6	170.9	70.1	100.8	0	0	0	110.2	L7 M17 H18 W19 I37 W38 L292	L7-L26 HydrophobicContact CD1-CD1 4.34Å; L7-L26 HydrophobicContact CD1-CD2 4.05Å; M17-L26 HydrophobicContact CE-CB 4.05Å; M17-L26 HydrophobicContact CE-CD1 3.84Å; M17-L26 HydrophobicContact CE-CD2 4.43Å; M17-L26 HydrophobicContact CE-CG 4.32Å; H18-L26 WeakPolarHBondContact O-CA 3.5Å; W19-L26 HydrophobicContact CD2-CB 4.05Å; W19-L26 HydrophobicContact CD2-CD2 4.35Å; W19-L26 HydrophobicContact CE3-CB 3.67Å; W19-L26 HydrophobicContact CE3-CD2 3.86Å; W19-L26 HydrophobicContact CE3-CG 4.4Å; W19-L26 HydrophobicContact CH2-CD2 3.49Å; W19-L26 VanDerWaalsContact CH2-CD2 3.49Å; W19-L26 HydrophobicContact CZ2-CD2 4.03Å; W19-L26 HydrophobicContact CZ3-CB 4.08Å; W19-L26 HydrophobicContact CZ3-CD2 3.4Å; W19-L26 VanDerWaalsContact CZ3-CD2 3.4Å; W19-L26 HydrophobicContact CZ3-CG 4.34Å; L26-I37 WeakPolarHBondContact O-CA 3.33Å; L26-W38 HydrophobicContact CD1-CB 4.46Å; L26-W38 HydrophobicContact CD1-CG 4.34Å; L26-W38 HydrophobicContact CG-CB 4.19Å; L26-W38 PolarHBondContact N-O 2.82Å; L26-W38 VanDerWaalsContact N-O 3.15Å; L26-W38 PolarHBondContact O-N 2.95Å; L26-L292 HydrophobicContact CD1-CD2 3.76Å
27	V	98.6	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.6	172.4	64.3	0	0	0	0	109.7	M17 H18 L35 I36 I37 C59 Y61 V68	M17-V27 CarbonylContact C-O 3.52Å; M17-V27 WeakPolarHBondContact CA-O 3.25Å; M17-V27 WeakPolarHBondContact CB-O 3.25Å; H18-V27 HydrophobicContact CB-CG1 4.02Å; H18-V27 PolarHBondContact N-O 2.98Å; H18-V27 PolarHBondContact O-N 3.45Å; V27-L35 HydrophobicContact CG2-CD1 3.53Å; V27-L35 HydrophobicContact CG2-CD2 3.99Å; V27-L35 HydrophobicContact CG2-CG 3.52Å; V27-I36 CarbonylContact C-O 3.6Å; V27-I36 WeakPolarHBondContact CA-O 3.37Å; V27-I37 HydrophobicContact CB-CG1 4.33Å; V27-I37 HydrophobicContact CG2-CG1 4.16Å; V27-C59 HydrophobicContact CG1-CB 4.31Å; V27-C59 HydrophobicContact CG2-CB 4.43Å; V27-Y61 HydrophobicContact CB-CD2 4.04Å; V27-Y61 HydrophobicContact CG1-CD2 4.05Å; V27-V68 HydrophobicContact CB-CG1 4.42Å; V27-V68 HydrophobicContact CG2-CG1 4.37Å
28	S	98.6	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.6	175.1	61	0	0	0	0	110.6	H10 A16 L35 I36 W38	H10-S28 PolarHBondContact NE2-OG 2.74Å; A16-S28 WeakPolarHBondContact O-CA 3.47Å; S28-L35 WeakPolarHBondContact O-CA 3.47Å; S28-I36 PolarHBondContact N-O 3.25Å; S28-I36 PolarHBondContact O-N 3.22Å; S28-I36 PolarHBondContact OG-O 2.74Å; S28-W38 PolarHBondContact OG-NE1 2.8Å
29	A	98.4	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	-178	0	0	0	0	0	110.6	I14 Y15 A16 L35 V56 C59	I14-A29 WeakPolarHBondContact CA-O 3.37Å; Y15-A29 PolarHBondContact N-O 3.49Å; A16-A29 PolarHBondContact O-N 3.36Å; A29-L35 HydrophobicContact CB-CD1 3.77Å; A29-V56 HydrophobicContact CB-CB 4.33Å; A29-V56 HydrophobicContact CB-CG1 3.73Å; A29-V56 HydrophobicContact CB-CG2 3.63Å; A29-C59 HydrophobicContact CB-CB 3.89Å
30	S	98.1	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153	179.1	176.3	0	0	0	0	112.2	H10 A12 K13 D32 G33 K34 V56	H10-S30 WeakPolarHBondContact ND1-CB 3.48Å; A12-S30 VanDerWaalsContact C-OG 3.23Å; A12-S30 PolarHBondContact O-OG 3.11Å; K13-S30 WeakPolarHBondContact O-CA 3.48Å; K13-S30 PolarHBondContact O-OG 2.82Å; K13-S30 VanDerWaalsContact O-OG 3.12Å; S30-D32 WeakPolarHBondContact CB-OD1 3.49Å; S30-D32 PolarHBondContact O-N 3.23Å; S30-D32 VanDerWaalsContact O-N 3.11Å; S30-D32 PolarHBondContact OG-N 3.04Å; S30-D32 PolarHBondContact OG-OD1 3.15Å; S30-G33 PolarHBondContact O-N 3.03Å; S30-G33 VanDerWaalsContact O-N 3.15Å; S30-K34 PolarHBondContact N-O 2.93Å; S30-K34 VanDerWaalsContact N-O 3.14Å; S30-V56 WeakPolarHBondContact O-CG1 3.48Å
31	Q	96.5	Very high	97.2	Very high	34 Å²	34	29.9 Å²	29.9	16%	0.159	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-1.3	175.6	-73.8	-172.7	-23.5	0	0	114.7	A12 K13 Y15 G33 S54 W55	A12-Q31 HydrophobicContact CB-CB 4.27Å; K13-Q31 PolarHBondContact O-N 2.94Å; Y15-Q31 HydrophobicContact CD2-CG 3.72Å; Y15-Q31 HydrophobicContact CE2-CG 3.69Å; Y15-Q31 PolarHBondContact OH-NE2 3.33Å; Q31-G33 PolarHBondContact O-N 2.86Å; Q31-S54 CarbonylContact C-O 3.54Å; Q31-S54 VanDerWaalsContact CA-O 3.25Å; Q31-S54 WeakPolarHBondContact CA-O 3.38Å; Q31-W55 HydrophobicContact CG-CE3 4.45Å; Q31-W55 VanDerWaalsContact NE2-CE3 3.27Å; Q31-W55 VanDerWaalsContact NE2-CZ3 3.31Å
32	D	94.9	Very high	97.3	Very high	42 Å²	42	29.3 Å²	29.3	23%	0.225	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3.1	168	69	2.9	0	0	0	112.7	H10 L11 A12 S30 K34	H10-D32 IonicContact ND1-OD1 2.7Å; H10-D32 IonicContact ND1-OD2 3.5Å; L11-D32 HydrophobicContact CB-CB 4.18Å; L11-D32 PolarHBondContact N-OD2 2.73Å; A12-D32 HydrophobicContact CB-CB 3.89Å; S30-D32 WeakPolarHBondContact CB-OD1 3.49Å; S30-D32 PolarHBondContact O-N 3.23Å; S30-D32 VanDerWaalsContact O-N 3.11Å; S30-D32 PolarHBondContact OG-N 3.04Å; S30-D32 PolarHBondContact OG-OD1 3.15Å; D32-K34 VanDerWaalsContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CG 3.16Å; D32-K34 PolarHBondContact OD1-N 2.84Å
33	G	95.7	Very high	97.3	Very high	9 Å²	9	28.2 Å²	28.2	9%	0.093	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	27.2	-178.2	0	0	0	0	0	112.8	S30 Q31 L51	S30-G33 PolarHBondContact O-N 3.03Å; S30-G33 VanDerWaalsContact O-N 3.15Å; Q31-G33 PolarHBondContact O-N 2.86Å; G33-L51 WeakPolarHBondContact O-CB 3.49Å; G33-L51 PolarHBondContact O-N 3Å
34	K	96.8	Very high	97.3	Very high	79 Å²	79	32.6 Å²	32.6	34%	0.343	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.2	176.3	-60.3	-177.2	-178.4	173.8	0	112.7	S30 D32 I36	S30-K34 PolarHBondContact N-O 2.93Å; S30-K34 VanDerWaalsContact N-O 3.14Å; D32-K34 VanDerWaalsContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CG 3.16Å; D32-K34 PolarHBondContact OD1-N 2.84Å; K34-I36 HydrophobicContact CB-CG1 4.24Å
35	L	97.4	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.2	164.5	-166.2	74.1	0	0	0	108	V27 S28 A29 I49 L51 C59 V68 C70 Y80	V27-L35 HydrophobicContact CG2-CD1 3.53Å; V27-L35 HydrophobicContact CG2-CD2 3.99Å; V27-L35 HydrophobicContact CG2-CG 3.52Å; S28-L35 WeakPolarHBondContact O-CA 3.47Å; A29-L35 HydrophobicContact CB-CD1 3.77Å; L35-I49 HydrophobicContact CB-CB 4.21Å; L35-I49 HydrophobicContact CD2-CD1 4.15Å; L35-I49 PolarHBondContact N-O 2.79Å; L35-I49 PolarHBondContact O-N 3.02Å; L35-L51 HydrophobicContact CB-CD1 4.43Å; L35-L51 HydrophobicContact CB-CD2 3.99Å; L35-L51 HydrophobicContact CB-CG 4.35Å; L35-C59 HydrophobicContact CD1-CB 3.58Å; L35-V68 HydrophobicContact CD2-CB 4.24Å; L35-V68 HydrophobicContact CD2-CG2 3.71Å; L35-C70 HydrophobicContact CD1-CB 4.23Å; L35-C70 HydrophobicContact CD2-CB 4.31Å; L35-Y80 HydrophobicContact CD2-CD2 4.48Å
36	I	98.1	Very high	97.1	Very high	3 Å²	3	34 Å²	34	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.8	-177.5	-55.2	178.2	0	0	0	109.5	H10 V27 S28 K34 W38 K45 H47 A48	H10-I36 VanDerWaalsContact CE1-CD1 3.49Å; H10-I36 WeakPolarHBondContact CE1-CD1 3.18Å; V27-I36 CarbonylContact C-O 3.6Å; V27-I36 WeakPolarHBondContact CA-O 3.37Å; S28-I36 PolarHBondContact N-O 3.25Å; S28-I36 PolarHBondContact O-N 3.22Å; S28-I36 PolarHBondContact OG-O 2.74Å; K34-I36 HydrophobicContact CB-CG1 4.24Å; I36-W38 HydrophobicContact CB-CZ2 3.87Å; I36-W38 HydrophobicContact CD1-CH2 4.24Å; I36-W38 HydrophobicContact CD1-CZ2 3.77Å; I36-W38 HydrophobicContact CG1-CZ2 4.42Å; I36-W38 HydrophobicContact CG2-CD2 3.74Å; I36-W38 HydrophobicContact CG2-CE3 4.29Å; I36-W38 HydrophobicContact CG2-CG 4.22Å; I36-W38 HydrophobicContact CG2-CH2 4.09Å; I36-W38 HydrophobicContact CG2-CZ2 3.5Å; I36-W38 VanDerWaalsContact CG2-CZ2 3.5Å; I36-W38 HydrophobicContact CG2-CZ3 4.45Å; I36-W38 PolarHBondContact O-NE1 3.04Å; I36-K45 HydrophobicContact CG2-CB 4.23Å; I36-K45 HydrophobicContact CG2-CD 4.23Å; I36-K45 HydrophobicContact CG2-CG 3.95Å; I36-H47 WeakPolarHBondContact CA-O 3.24Å; I36-A48 HydrophobicContact CG1-CB 4.48Å
37	I	97.9	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.7	171.4	-58.7	176	0	0	0	108.2	L26 V27 V46 H47 Y61 V68 L82	L26-I37 WeakPolarHBondContact O-CA 3.33Å; V27-I37 HydrophobicContact CB-CG1 4.33Å; V27-I37 HydrophobicContact CG2-CG1 4.16Å; I37-V46 HydrophobicContact CG2-CB 4.24Å; I37-V46 PolarHBondContact O-N 2.79Å; I37-H47 HydrophobicContact CB-CB 4.24Å; I37-H47 HydrophobicContact CD1-CB 4.17Å; I37-H47 HydrophobicContact CG1-CB 4.4Å; I37-H47 PolarHBondContact N-O 3.07Å; I37-H47 PolarHBondContact O-N 2.94Å; I37-Y61 HydrophobicContact CD1-CE2 4.33Å; I37-Y61 HydrophobicContact CG2-CE2 4.28Å; I37-V68 HydrophobicContact CD1-CG1 3.93Å; I37-V68 HydrophobicContact CD1-CG2 4.47Å; I37-L82 HydrophobicContact CD1-CD1 3.52Å; I37-L82 HydrophobicContact CD1-CD2 3.38Å; I37-L82 HydrophobicContact CD1-CG 4.1Å
38	W	98.3	Very high	96.7	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.8	-174.8	-50.5	85.3	0	0	0	111.1	L7 R8 L25 L26 S28 I36 N44 K45	L7-W38 HydrophobicContact CB-CD2 4.17Å; L7-W38 HydrophobicContact CB-CE3 3.97Å; L7-W38 HydrophobicContact CB-CH2 4.3Å; L7-W38 HydrophobicContact CB-CZ2 4.49Å; L7-W38 HydrophobicContact CB-CZ3 4.03Å; L7-W38 HydrophobicContact CD1-CB 3.94Å; L7-W38 HydrophobicContact CD1-CD2 4.01Å; L7-W38 HydrophobicContact CD1-CE3 4.37Å; L7-W38 HydrophobicContact CD1-CG 3.82Å; L7-W38 HydrophobicContact CD2-CE3 4.33Å; L7-W38 HydrophobicContact CG-CE3 4.46Å; R8-W38 WeakPolarHBondContact O-CH2 3.4Å; L25-W38 WeakPolarHBondContact CA-O 3.41Å; L25-W38 WeakPolarHBondContact CD2-O 3.21Å; L26-W38 HydrophobicContact CD1-CB 4.46Å; L26-W38 HydrophobicContact CD1-CG 4.34Å; L26-W38 HydrophobicContact CG-CB 4.19Å; L26-W38 PolarHBondContact N-O 2.82Å; L26-W38 VanDerWaalsContact N-O 3.15Å; L26-W38 PolarHBondContact O-N 2.95Å; S28-W38 PolarHBondContact OG-NE1 2.8Å; I36-W38 HydrophobicContact CB-CZ2 3.87Å; I36-W38 HydrophobicContact CD1-CH2 4.24Å; I36-W38 HydrophobicContact CD1-CZ2 3.77Å; I36-W38 HydrophobicContact CG1-CZ2 4.42Å; I36-W38 HydrophobicContact CG2-CD2 3.74Å; I36-W38 HydrophobicContact CG2-CE3 4.29Å; I36-W38 HydrophobicContact CG2-CG 4.22Å; I36-W38 HydrophobicContact CG2-CH2 4.09Å; I36-W38 HydrophobicContact CG2-CZ2 3.5Å; I36-W38 VanDerWaalsContact CG2-CZ2 3.5Å; I36-W38 HydrophobicContact CG2-CZ3 4.45Å; I36-W38 PolarHBondContact O-NE1 3.04Å; W38-N44 WeakPolarHBondContact CA-O 3.38Å; W38-K45 HydrophobicContact CE3-CG 3.78Å; W38-K45 HydrophobicContact CH2-CD 4.3Å; W38-K45 HydrophobicContact CH2-CG 4.07Å; W38-K45 HydrophobicContact CZ3-CD 4.16Å; W38-K45 HydrophobicContact CZ3-CG 3.51Å
39	D	97.8	Very high	96.5	Very high	12 Å²	12	40 Å²	40	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.9	158.4	176.6	3.2	0	0	0	108.8	R24 L25 Y41 T42 T43 N44 V46	R24-D39 WeakPolarHBondContact CG-OD1 3.42Å; R24-D39 IonicContact CZ-OD1 3.13Å; R24-D39 IonicContact CZ-OD2 2.74Å; R24-D39 IonicContact NE-OD1 3.64Å; R24-D39 PolarHBondContact NE-OD1 2.86Å; R24-D39 IonicContact NE-OD2 2.73Å; R24-D39 PolarHBondContact NE-OD2 3.45Å; R24-D39 IonicContact NH2-OD1 3.68Å; R24-D39 IonicContact NH2-OD2 3.5Å; R24-D39 PolarHBondContact NH2-OD2 3.44Å; L25-D39 HydrophobicContact CD2-CB 4.24Å; D39-Y41 PolarHBondContact O-N 3.1Å; D39-Y41 PolarHBondContact OD1-N 3.18Å; D39-Y41 VanDerWaalsContact OD1-N 3.11Å; D39-T42 WeakPolarHBondContact CB-OG1 3.34Å; D39-T42 PolarHBondContact O-N 3.11Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.39Å; D39-T42 PolarHBondContact OD2-OG1 3.02Å; D39-T43 VanDerWaalsContact O-CA 3.25Å; D39-T43 WeakPolarHBondContact O-CA 3.36Å; D39-T43 PolarHBondContact O-N 3.33Å; D39-N44 PolarHBondContact N-O 2.8Å; D39-V46 HydrophobicContact CB-CG2 4.14Å
40	S	96.6	Very high	96.4	Very high	8 Å²	8	45 Å²	45	6%	0.056	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	-177.1	59.7	0	0	0	0	113.8	R24 I294	R24-S40 WeakPolarHBondContact O-CB 3.22Å; R24-S40 PolarHBondContact O-N 2.86Å; R24-S40 PolarHBondContact O-OG 2.99Å; S40-I294 VanDerWaalsContact CB-CD1 3.5Å
41	Y	95.7	Very high	96.2	Very high	137 Å²	137	46.1 Å²	46.1	54%	0.537	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-45.2	-175.1	-74.1	14.3	0	0	0	111	R5 R24 D39	R5-Y41 PolarHBondContact NE-O 2.89Å; R24-Y41 HydrophobicContact CG-CD1 4.29Å; R24-Y41 HydrophobicContact CG-CE1 4.47Å; R24-Y41 HydrophobicContact CG-CG 4.35Å; D39-Y41 PolarHBondContact O-N 3.1Å; D39-Y41 PolarHBondContact OD1-N 3.18Å; D39-Y41 VanDerWaalsContact OD1-N 3.11Å
42	T	96.6	Very high	95.9	Very high	61 Å²	61	53.8 Å²	53.8	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.9	-175.4	64.2	0	0	0	0	113.4	D39 N44	D39-T42 WeakPolarHBondContact CB-OG1 3.34Å; D39-T42 PolarHBondContact O-N 3.11Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.39Å; D39-T42 PolarHBondContact OD2-OG1 3.02Å; T42-N44 PolarHBondContact O-N 3.27Å; T42-N44 WeakPolarHBondContact OG1-CB 3.45Å; T42-N44 PolarHBondContact OG1-N 2.51Å; T42-N44 PolarHBondContact OG1-ND2 2.8Å
43	T	96.7	Very high	95.7	Very high	57 Å²	57	53.1 Å²	53.1	35%	0.35	28%	0.275	S	S	.	.			trans	63.7	8.8	-172.3	71.2	0	0	0	0	115.1	R5 L7 D39	R5-T43 HydrophobicContact CB-CG2 4.06Å; R5-T43 HydrophobicContact CG-CG2 4.1Å; L7-T43 HydrophobicContact CD2-CG2 3.83Å; D39-T43 VanDerWaalsContact O-CA 3.25Å; D39-T43 WeakPolarHBondContact O-CA 3.36Å; D39-T43 PolarHBondContact O-N 3.33Å
44	N	96.9	Very high	95.4	Very high	101 Å²	101	55.2 Å²	55.2	54%	0.54	29%	0.289	S	S	.	.			trans	-73.4	147.6	179.3	-70.7	-28.6	0	0	0	111.3	W38 D39 T42	W38-N44 WeakPolarHBondContact CA-O 3.38Å; D39-N44 PolarHBondContact N-O 2.8Å; T42-N44 PolarHBondContact O-N 3.27Å; T42-N44 WeakPolarHBondContact OG1-CB 3.45Å; T42-N44 PolarHBondContact OG1-N 2.51Å; T42-N44 PolarHBondContact OG1-ND2 2.8Å
45	K	96.1	Very high	95.3	Very high	103 Å²	103	57.7 Å²	57.7	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115	169.8	-58.9	177.6	-177.6	72.1	0	107.6	R8 I36 W38	R8-K45 WeakPolarHBondContact O-CE 3.31Å; R8-K45 PolarHBondContact O-NZ 2.67Å; I36-K45 HydrophobicContact CG2-CB 4.23Å; I36-K45 HydrophobicContact CG2-CD 4.23Å; I36-K45 HydrophobicContact CG2-CG 3.95Å; W38-K45 HydrophobicContact CE3-CG 3.78Å; W38-K45 HydrophobicContact CH2-CD 4.3Å; W38-K45 HydrophobicContact CH2-CG 4.07Å; W38-K45 HydrophobicContact CZ3-CD 4.16Å; W38-K45 HydrophobicContact CZ3-CG 3.51Å
46	V	94.6	Very high	95.2	Very high	68 Å²	68	57.9 Å²	57.9	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-46.3	176.9	-173.6	0	0	0	0	109.4	L25 I37 D39	L25-V46 HydrophobicContact CD2-CG2 3.92Å; I37-V46 HydrophobicContact CG2-CB 4.24Å; I37-V46 PolarHBondContact O-N 2.79Å; D39-V46 HydrophobicContact CB-CG2 4.14Å
47	H	94	Very high	95.2	Very high	55 Å²	55	59.8 Å²	59.8	26%	0.255	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.9	175.5	-62.3	-69.6	0	0	0	110.8	I36 I37 V89	I36-H47 WeakPolarHBondContact CA-O 3.24Å; I37-H47 HydrophobicContact CB-CB 4.24Å; I37-H47 HydrophobicContact CD1-CB 4.17Å; I37-H47 HydrophobicContact CG1-CB 4.4Å; I37-H47 PolarHBondContact N-O 3.07Å; I37-H47 PolarHBondContact O-N 2.94Å; H47-V89 HydrophobicContact CB-CG2 4.4Å
48	A	94.9	Very high	95.2	Very high	64 Å²	64	60 Å²	60	53%	0.529	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	105.9	168.4	0	0	0	0	0	108	I36	I36-A48 HydrophobicContact CG1-CB 4.48Å
49	I	95.3	Very high	95.2	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.5	-173.7	-56.3	160.7	0	0	0	107.6	L35 V68 Y80 L82 V89	L35-I49 HydrophobicContact CB-CB 4.21Å; L35-I49 HydrophobicContact CD2-CD1 4.15Å; L35-I49 PolarHBondContact N-O 2.79Å; L35-I49 PolarHBondContact O-N 3.02Å; I49-V68 HydrophobicContact CD1-CG2 3.88Å; I49-Y80 HydrophobicContact CD1-CG 4.47Å; I49-Y80 HydrophobicContact CG2-CD1 3.61Å; I49-Y80 HydrophobicContact CG2-CE1 3.5Å; I49-Y80 VanDerWaalsContact CG2-CE1 3.5Å; I49-Y80 HydrophobicContact CG2-CG 4.31Å; I49-L82 HydrophobicContact CD1-CD2 4.3Å; I49-V89 HydrophobicContact CD1-CB 4.45Å; I49-V89 HydrophobicContact CD1-CG1 3.64Å; I49-V89 HydrophobicContact CG1-CB 4.1Å; I49-V89 HydrophobicContact CG1-CG1 3.74Å; I49-V89 HydrophobicContact CG1-CG2 4.43Å
50	P	95	Very high	95.3	Very high	106 Å²	106	59.3 Å²	59.3	69%	0.688	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	128.3	171.8	30.4	-32	0	0	0	109.7
51	L	94.4	Very high	95.3	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.12	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-88.8	152.2	177.2	-56.5	-178.7	0	0	0	110.2	G33 L35 S53 V56 C70 Y80	G33-L51 WeakPolarHBondContact O-CB 3.49Å; G33-L51 PolarHBondContact O-N 3Å; L35-L51 HydrophobicContact CB-CD1 4.43Å; L35-L51 HydrophobicContact CB-CD2 3.99Å; L35-L51 HydrophobicContact CB-CG 4.35Å; L51-S53 WeakPolarHBondContact CB-O 3.42Å; L51-V56 HydrophobicContact CD1-CB 3.88Å; L51-V56 HydrophobicContact CD1-CG1 4.11Å; L51-V56 HydrophobicContact CD1-CG2 4.11Å; L51-C70 WeakPolarHBondContact CD2-SG 3.5Å; L51-Y80 HydrophobicContact CD2-CE2 4.19Å; L51-Y80 VanDerWaalsContact CD2-OH 3.26Å; L51-Y80 WeakPolarHBondContact CD2-OH 3.42Å
52	R	89.4	Confident	95.4	Very high	195 Å²	195	53.2 Å²	53.2	74%	0.736	28%	0.279	S	S	*	.	S	Bend	trans	-72.7	-41.3	172.7	-69.3	-174.1	-176.4	160.7	12	111.9	E94	R52-E94 IonicContact CZ-OE1 3.68Å; R52-E94 IonicContact NE-OE1 3.81Å; R52-E94 IonicContact NH1-OE1 2.83Å; R52-E94 PolarHBondContact NH1-OE1 3.5Å; R52-E94 IonicContact NH1-OE2 3.46Å; R52-E94 PolarHBondContact NH1-OE2 2.92Å; R52-E94 IonicContact NH2-OE1 3.83Å; R52-E94 PolarHBondContact NH2-OE1 2.82Å
53	S	91.1	Very high	95.5	Very high	27 Å²	27	53.1 Å²	53.1	19%	0.189	28%	0.28	C	S	.	.			trans	-98.3	132.9	174.4	-175.8	0	0	0	0	110.1	L51 W55 D74	L51-S53 WeakPolarHBondContact CB-O 3.42Å; S53-W55 VanDerWaalsContact C-N 3.32Å; S53-W55 PolarHBondContact OG-N 2.77Å; S53-D74 VanDerWaalsContact CB-OD2 3.32Å; S53-D74 WeakPolarHBondContact CB-OD2 3.4Å
54	S	90.5	Very high	95.4	Very high	53 Å²	53	52.9 Å²	52.9	37%	0.371	28%	0.281	S	S	.	.	S	Bend	trans	-74.3	-26.3	174.3	57.1	0	0	0	0	112.1	Q31 V56	Q31-S54 CarbonylContact C-O 3.54Å; Q31-S54 VanDerWaalsContact CA-O 3.25Å; Q31-S54 WeakPolarHBondContact CA-O 3.38Å; S54-V56 VanDerWaalsContact C-N 3.32Å; S54-V56 PolarHBondContact O-N 2.91Å
55	W	93.8	Very high	95.3	Very high	132 Å²	132	48.9 Å²	48.9	50%	0.5	26%	0.263	S	S	.	.			trans	-89.4	66.9	-172.9	-64.7	98.2	0	0	0	111.9	Q31 S53 G72 L73	Q31-W55 HydrophobicContact CG-CE3 4.45Å; Q31-W55 VanDerWaalsContact NE2-CE3 3.27Å; Q31-W55 VanDerWaalsContact NE2-CZ3 3.31Å; S53-W55 VanDerWaalsContact C-N 3.32Å; S53-W55 PolarHBondContact OG-N 2.77Å; W55-G72 WeakPolarHBondContact O-CA 3.26Å; W55-L73 HydrophobicContact CB-CB 3.86Å; W55-L73 HydrophobicContact CB-CD1 3.65Å; W55-L73 HydrophobicContact CB-CG 3.77Å; W55-L73 HydrophobicContact CD2-CD1 3.97Å; W55-L73 HydrophobicContact CE3-CD1 4.16Å; W55-L73 HydrophobicContact CG-CD1 3.76Å; W55-L73 HydrophobicContact CG-CG 4.42Å; W55-L73 PolarHBondContact O-N 3.45Å
56	V	96.4	Very high	95.2	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.4	173.2	64.5	0	0	0	0	110.7	A29 S30 L51 S54 T58 C70	A29-V56 HydrophobicContact CB-CB 4.33Å; A29-V56 HydrophobicContact CB-CG1 3.73Å; A29-V56 HydrophobicContact CB-CG2 3.63Å; S30-V56 WeakPolarHBondContact O-CG1 3.48Å; L51-V56 HydrophobicContact CD1-CB 3.88Å; L51-V56 HydrophobicContact CD1-CG1 4.11Å; L51-V56 HydrophobicContact CD1-CG2 4.11Å; S54-V56 VanDerWaalsContact C-N 3.32Å; S54-V56 PolarHBondContact O-N 2.91Å; V56-T58 VanDerWaalsContact CG2-O 3.3Å; V56-T58 WeakPolarHBondContact CG2-O 3.34Å; V56-C70 HydrophobicContact CG2-CB 3.95Å
57	M	97.7	Very high	95.3	Very high	43 Å²	43	44 Å²	44	21%	0.212	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-31.4	177.9	-65.7	178.7	69.3	0	0	111.7	A16 G71 L73 Y101 L102	A16-M57 WeakPolarHBondContact CB-O 3.32Å; M57-G71 PolarHBondContact N-O 3.25Å; M57-L73 HydrophobicContact SD-CD2 3.95Å; M57-L73 HydrophobicContact SD-CG 4.46Å; M57-Y101 HydrophobicContact CE-CD2 3.6Å; M57-Y101 HydrophobicContact CE-CE2 3.68Å; M57-Y101 HydrophobicContact SD-CD2 3.56Å; M57-Y101 VanDerWaalsContact SD-CD2 3.56Å; M57-Y101 HydrophobicContact SD-CE2 4.28Å; M57-Y101 HydrophobicContact SD-CG 4.09Å; M57-L102 WeakPolarHBondContact CB-O 3.45Å
58	T	98.3	Very high	95.5	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.3	-178	-178.6	0	0	0	0	112.6	V56 C70 G71 L102 S103 C104 C105	V56-T58 VanDerWaalsContact CG2-O 3.3Å; V56-T58 WeakPolarHBondContact CG2-O 3.34Å; T58-C70 VanDerWaalsContact O-CA 3.25Å; T58-C70 WeakPolarHBondContact O-CA 3.34Å; T58-C70 WeakPolarHBondContact O-CB 3.22Å; T58-G71 PolarHBondContact N-O 2.79Å; T58-G71 VanDerWaalsContact N-O 3.08Å; T58-G71 PolarHBondContact O-N 2.95Å; T58-L102 HydrophobicContact CG2-CD2 3.8Å; T58-L102 HydrophobicContact CG2-CG 4.2Å; T58-S103 WeakPolarHBondContact CB-O 3.48Å; T58-C104 WeakPolarHBondContact OG1-CA 3.34Å; T58-C105 HydrophobicContact CG2-CB 4.33Å; T58-C105 PolarHBondContact OG1-N 2.81Å; T58-C105 VanDerWaalsContact OG1-N 3.16Å; T58-C105 PolarHBondContact OG1-SG 3.23Å; T58-C105 VanDerWaalsContact OG1-SG 3.41Å
59	C	98.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.1	161.9	62	0	0	0	0	111.3	V27 A29 L35 A69	V27-C59 HydrophobicContact CG1-CB 4.31Å; V27-C59 HydrophobicContact CG2-CB 4.43Å; A29-C59 HydrophobicContact CB-CB 3.89Å; L35-C59 HydrophobicContact CD1-CB 3.58Å; C59-A69 CarbonylContact C-O 3.58Å; C59-A69 WeakPolarHBondContact CA-O 3.44Å
60	A	98.6	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142	174.5	0	0	0	0	0	111.4	V68 A69 C105 F107	A60-V68 CarbonylContact O-C 3.56Å; A60-V68 VanDerWaalsContact O-CA 3.22Å; A60-V68 WeakPolarHBondContact O-CA 3.43Å; A60-A69 HydrophobicContact CB-CB 4.41Å; A60-A69 PolarHBondContact N-O 3.44Å; A60-A69 PolarHBondContact O-N 2.83Å; A60-C105 WeakPolarHBondContact CB-O 3.35Å; A60-F107 HydrophobicContact CB-CD2 3.84Å; A60-F107 HydrophobicContact CB-CE2 3.97Å
61	Y	98.1	Very high	95.9	Very high	15 Å²	15	33.3 Å²	33.3	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.5	167.9	-151.7	-92.4	0	0	0	109.2	H18 V27 I37 V68 L82	H18-Y61 PolarHBondContact ND1-N 3.39Å; H18-Y61 VanDerWaalsContact ND1-N 3.16Å; V27-Y61 HydrophobicContact CB-CD2 4.04Å; V27-Y61 HydrophobicContact CG1-CD2 4.05Å; I37-Y61 HydrophobicContact CD1-CE2 4.33Å; I37-Y61 HydrophobicContact CG2-CE2 4.28Å; Y61-V68 HydrophobicContact CD2-CG1 3.53Å; Y61-V68 HydrophobicContact CE2-CG1 3.8Å; Y61-V68 HydrophobicContact CG-CG1 4.32Å; Y61-L82 HydrophobicContact CE2-CD1 4.07Å
62	A	97.9	Very high	96	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.163	C	C	.	.			trans	-71.7	145.2	177.1	0	0	0	0	0	110.9	S64 G65 F67 F107	A62-S64 PolarHBondContact O-N 2.83Å; A62-S64 VanDerWaalsContact O-N 3.11Å; A62-G65 PolarHBondContact O-N 3.14Å; A62-F67 HydrophobicContact CB-CB 3.89Å; A62-F67 WeakPolarHBondContact CB-O 3.11Å; A62-F67 PolarHBondContact N-O 2.89Å; A62-F107 HydrophobicContact CB-CB 4.43Å; A62-F107 HydrophobicContact CB-CD1 4.23Å; A62-F107 HydrophobicContact CB-CD2 3.89Å; A62-F107 HydrophobicContact CB-CE1 4.43Å; A62-F107 HydrophobicContact CB-CE2 4.11Å; A62-F107 HydrophobicContact CB-CG 3.94Å; A62-F107 HydrophobicContact CB-CZ 4.36Å
63	P	96.6	Very high	96.3	Very high	59 Å²	59	27.3 Å²	27.3	38%	0.383	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28	-179.3	-27.7	34.7	0	0	0	114.7	T21 G65	T21-P63 HydrophobicContact CG2-CB 4.12Å; T21-P63 PolarHBondContact OG1-O 3.24Å; P63-G65 VanDerWaalsContact C-N 3.32Å
64	S	96	Very high	96.5	Very high	53 Å²	53	28.5 Å²	28.5	37%	0.371	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.4	175.8	68.9	0	0	0	0	114.4	A62 N66 D110	A62-S64 PolarHBondContact O-N 2.83Å; A62-S64 VanDerWaalsContact O-N 3.11Å; S64-N66 WeakPolarHBondContact CB-ND2 3.34Å; S64-N66 PolarHBondContact O-N 2.93Å; S64-N66 VanDerWaalsContact OG-CB 3.32Å; S64-N66 WeakPolarHBondContact OG-CB 3.37Å; S64-N66 PolarHBondContact OG-N 2.7Å; S64-N66 PolarHBondContact OG-ND2 3.21Å; S64-D110 WeakPolarHBondContact CB-OD1 3.12Å; S64-D110 WeakPolarHBondContact CB-OD2 3.47Å; S64-D110 PolarHBondContact OG-OD1 2.93Å; S64-D110 PolarHBondContact OG-OD2 2.88Å
65	G	94.6	Very high	96.8	Very high	16 Å²	16	28.2 Å²	28.2	17%	0.165	15%	0.15	C	C	.	.	S	Bend	trans	68.7	13.3	-167.1	0	0	0	0	0	116	A62 P63	A62-G65 PolarHBondContact O-N 3.14Å; P63-G65 VanDerWaalsContact C-N 3.32Å
66	N	93.7	Very high	97	Very high	33 Å²	33	24.1 Å²	24.1	18%	0.176	14%	0.137	C	C	.	.	S	Bend	trans	-84.1	-28.5	178	-62.9	-31.9	0	0	0	113.1	S64 L82 K83 D110	S64-N66 WeakPolarHBondContact CB-ND2 3.34Å; S64-N66 PolarHBondContact O-N 2.93Å; S64-N66 VanDerWaalsContact OG-CB 3.32Å; S64-N66 WeakPolarHBondContact OG-CB 3.37Å; S64-N66 PolarHBondContact OG-N 2.7Å; S64-N66 PolarHBondContact OG-ND2 3.21Å; N66-L82 WeakPolarHBondContact O-CB 3.36Å; N66-L82 PolarHBondContact O-N 3.3Å; N66-K83 VanDerWaalsContact OD1-CD 3.23Å; N66-K83 WeakPolarHBondContact OD1-CD 3.32Å; N66-K83 WeakPolarHBondContact OD1-CE 3.39Å; N66-K83 PolarHBondContact OD1-NZ 2.7Å; N66-D110 PolarHBondContact ND2-OD2 3.22Å
67	F	96.8	Very high	97	Very high	36 Å²	36	24.1 Å²	24.1	16%	0.158	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.6	-172.8	-59.2	-82	0	0	0	112.6	A62 I79 Y80 F107 D110	A62-F67 HydrophobicContact CB-CB 3.89Å; A62-F67 WeakPolarHBondContact CB-O 3.11Å; A62-F67 PolarHBondContact N-O 2.89Å; F67-I79 HydrophobicContact CB-CG2 4.22Å; F67-I79 HydrophobicContact CD1-CG2 3.92Å; F67-I79 HydrophobicContact CG-CG2 4.33Å; F67-Y80 VanDerWaalsContact CA-O 3.25Å; F67-Y80 WeakPolarHBondContact CA-O 3.49Å; F67-F107 HydrophobicContact CB-CE1 4.33Å; F67-F107 HydrophobicContact CB-CZ 4.05Å; F67-D110 HydrophobicContact CD2-CB 4.07Å; F67-D110 HydrophobicContact CE2-CB 3.83Å
68	V	97.8	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.1	163.2	-65.9	0	0	0	0	109.5	V27 L35 I37 I49 A60 Y61 I79 Y80 L82	V27-V68 HydrophobicContact CB-CG1 4.42Å; V27-V68 HydrophobicContact CG2-CG1 4.37Å; L35-V68 HydrophobicContact CD2-CB 4.24Å; L35-V68 HydrophobicContact CD2-CG2 3.71Å; I37-V68 HydrophobicContact CD1-CG1 3.93Å; I37-V68 HydrophobicContact CD1-CG2 4.47Å; I49-V68 HydrophobicContact CD1-CG2 3.88Å; A60-V68 CarbonylContact O-C 3.56Å; A60-V68 VanDerWaalsContact O-CA 3.22Å; A60-V68 WeakPolarHBondContact O-CA 3.43Å; Y61-V68 HydrophobicContact CD2-CG1 3.53Å; Y61-V68 HydrophobicContact CE2-CG1 3.8Å; Y61-V68 HydrophobicContact CG-CG1 4.32Å; V68-I79 WeakPolarHBondContact O-CA 3.28Å; V68-Y80 HydrophobicContact CG2-CD2 4.3Å; V68-Y80 HydrophobicContact CG2-CG 4.4Å; V68-Y80 PolarHBondContact N-O 3.26Å; V68-Y80 PolarHBondContact O-N 3.3Å; V68-L82 HydrophobicContact CG1-CD1 3.99Å; V68-L82 HydrophobicContact CG1-CD2 4.46Å; V68-L82 HydrophobicContact CG1-CG 4.44Å; V68-L82 HydrophobicContact CG2-CD2 4.01Å
69	A	98.2	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.2	174.3	0	0	0	0	0	110.7	C59 A60 S78 I79 F107 I113	C59-A69 CarbonylContact C-O 3.58Å; C59-A69 WeakPolarHBondContact CA-O 3.44Å; A60-A69 HydrophobicContact CB-CB 4.41Å; A60-A69 PolarHBondContact N-O 3.44Å; A60-A69 PolarHBondContact O-N 2.83Å; A69-S78 CarbonylContact C-O 3.55Å; A69-S78 VanDerWaalsContact CA-O 3.24Å; A69-S78 WeakPolarHBondContact CA-O 3.39Å; A69-I79 HydrophobicContact CB-CG1 4.28Å; A69-F107 HydrophobicContact CB-CE2 3.56Å; A69-F107 HydrophobicContact CB-CZ 3.55Å; A69-I113 HydrophobicContact CB-CD1 3.57Å
70	C	97.9	Very high	96.9	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.034	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.3	166.5	72.6	0	0	0	0	111.3	L35 L51 V56 T58 S78 Y80	L35-C70 HydrophobicContact CD1-CB 4.23Å; L35-C70 HydrophobicContact CD2-CB 4.31Å; L51-C70 WeakPolarHBondContact CD2-SG 3.5Å; V56-C70 HydrophobicContact CG2-CB 3.95Å; T58-C70 VanDerWaalsContact O-CA 3.25Å; T58-C70 WeakPolarHBondContact O-CA 3.34Å; T58-C70 WeakPolarHBondContact O-CB 3.22Å; C70-S78 PolarHBondContact N-O 2.58Å; C70-S78 PolarHBondContact O-N 2.96Å; C70-Y80 VanDerWaalsContact SG-CE2 3.56Å
71	G	97.3	Very high	96.6	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	174.1	168.4	0	0	0	0	0	111.6	M57 T58 I76	M57-G71 PolarHBondContact N-O 3.25Å; T58-G71 PolarHBondContact N-O 2.79Å; T58-G71 VanDerWaalsContact N-O 3.08Å; T58-G71 PolarHBondContact O-N 2.95Å; G71-I76 WeakPolarHBondContact CA-O 3.12Å
72	G	96.7	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	-125.6	176.8	0	0	0	0	0	112.1	W55 D74 N75 Y101 L102	W55-G72 WeakPolarHBondContact O-CA 3.26Å; G72-D74 PolarHBondContact N-OD1 3.12Å; G72-D74 PolarHBondContact O-N 2.79Å; G72-D74 VanDerWaalsContact O-N 3.11Å; G72-N75 PolarHBondContact O-N 3.38Å; G72-N75 VanDerWaalsContact O-N 3.16Å; G72-Y101 WeakPolarHBondContact O-CA 3.36Å; G72-L102 PolarHBondContact O-N 2.83Å
73	L	96.4	Very high	95.3	Very high	91 Å²	91	31.1 Å²	31.1	48%	0.476	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-3.9	-175.3	-61.4	-175.5	0	0	0	114.6	W55 M57 N75 Y101	W55-L73 HydrophobicContact CB-CB 3.86Å; W55-L73 HydrophobicContact CB-CD1 3.65Å; W55-L73 HydrophobicContact CB-CG 3.77Å; W55-L73 HydrophobicContact CD2-CD1 3.97Å; W55-L73 HydrophobicContact CE3-CD1 4.16Å; W55-L73 HydrophobicContact CG-CD1 3.76Å; W55-L73 HydrophobicContact CG-CG 4.42Å; W55-L73 PolarHBondContact O-N 3.45Å; M57-L73 HydrophobicContact SD-CD2 3.95Å; M57-L73 HydrophobicContact SD-CG 4.46Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-OD1 3.15Å; L73-Y101 HydrophobicContact CD2-CD1 4.5Å; L73-Y101 HydrophobicContact CD2-CG 4.14Å
74	D	95.6	Very high	93.8	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.4	172.9	57.2	-3.9	0	0	0	113.1	S53 G72 I76	S53-D74 VanDerWaalsContact CB-OD2 3.32Å; S53-D74 WeakPolarHBondContact CB-OD2 3.4Å; G72-D74 PolarHBondContact N-OD1 3.12Å; G72-D74 PolarHBondContact O-N 2.79Å; G72-D74 VanDerWaalsContact O-N 3.11Å; D74-I76 WeakPolarHBondContact O-CG1 3.44Å; D74-I76 PolarHBondContact O-N 3.44Å; D74-I76 VanDerWaalsContact O-N 3.09Å; D74-I76 PolarHBondContact OD1-N 3.07Å
75	N	96.5	Very high	92.2	Very high	47 Å²	47	40.5 Å²	40.5	25%	0.251	20%	0.195	S	C	.	.			trans	60.1	15.2	179.8	-52	-4.6	0	0	0	113.6	G72 L73 T99 G100 Y101	G72-N75 PolarHBondContact O-N 3.38Å; G72-N75 VanDerWaalsContact O-N 3.16Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-OD1 3.15Å; N75-T99 PolarHBondContact ND2-O 2.91Å; N75-G100 VanDerWaalsContact CB-O 3.26Å; N75-G100 WeakPolarHBondContact CB-O 2.98Å; N75-G100 VanDerWaalsContact CG-C 3.42Å; N75-G100 PolarHBondContact OD1-O 3.33Å; N75-Y101 WeakPolarHBondContact OD1-CA 3.37Å; N75-Y101 PolarHBondContact OD1-N 2.89Å
76	I	96.8	Very high	90.6	Very high	46 Å²	46	46 Å²	46	24%	0.236	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.5	-175.2	-66.3	165.6	0	0	0	109	G71 D74 E94 P96	G71-I76 WeakPolarHBondContact CA-O 3.12Å; D74-I76 WeakPolarHBondContact O-CG1 3.44Å; D74-I76 PolarHBondContact O-N 3.44Å; D74-I76 VanDerWaalsContact O-N 3.09Å; D74-I76 PolarHBondContact OD1-N 3.07Å; I76-E94 HydrophobicContact CG2-CB 3.87Å; I76-E94 HydrophobicContact CG2-CG 4.24Å; I76-P96 HydrophobicContact CG1-CB 4.36Å
77	C	97.6	Very high	89.3	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.6	165.9	-174.6	0	0	0	0	109.5	L95 L102 T115	C77-L95 HydrophobicContact CB-CB 4.16Å; C77-L95 HydrophobicContact CB-CD1 4.33Å; C77-L95 PolarHBondContact N-O 3.45Å; C77-L95 PolarHBondContact O-N 2.88Å; C77-L102 HydrophobicContact CB-CD2 3.66Å; C77-T115 HydrophobicContact CB-CG2 4.03Å
78	S	97.5	Very high	88.4	Confident	8 Å²	8	50.6 Å²	50.6	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.9	177.5	-63.7	0	0	0	0	110.6	A69 C70	A69-S78 CarbonylContact C-O 3.55Å; A69-S78 VanDerWaalsContact CA-O 3.24Å; A69-S78 WeakPolarHBondContact CA-O 3.39Å; C70-S78 PolarHBondContact N-O 2.58Å; C70-S78 PolarHBondContact O-N 2.96Å
79	I	97.3	Very high	87.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.1	179.7	-60.5	171.1	0	0	0	109.1	F67 V68 A69 S92 R93 L95 F107 I113 I127	F67-I79 HydrophobicContact CB-CG2 4.22Å; F67-I79 HydrophobicContact CD1-CG2 3.92Å; F67-I79 HydrophobicContact CG-CG2 4.33Å; V68-I79 WeakPolarHBondContact O-CA 3.28Å; A69-I79 HydrophobicContact CB-CG1 4.28Å; I79-S92 WeakPolarHBondContact O-CB 3.49Å; I79-S92 PolarHBondContact O-N 2.81Å; I79-R93 HydrophobicContact CB-CB 4.43Å; I79-R93 PolarHBondContact N-O 2.99Å; I79-R93 PolarHBondContact O-N 3.33Å; I79-L95 HydrophobicContact CD1-CD1 3.73Å; I79-L95 HydrophobicContact CD1-CG 4.25Å; I79-F107 HydrophobicContact CG2-CE1 4.47Å; I79-F107 HydrophobicContact CG2-CZ 4.32Å; I79-I113 HydrophobicContact CD1-CG2 4.29Å; I79-I127 HydrophobicContact CD1-CB 4.13Å; I79-I127 HydrophobicContact CD1-CD1 3.81Å; I79-I127 HydrophobicContact CD1-CG1 3.56Å; I79-I127 HydrophobicContact CD1-CG2 3.6Å; I79-I127 HydrophobicContact CG2-CG2 4.47Å
80	Y	96.1	Very high	87.2	Confident	8 Å²	8	59 Å²	59	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.2	-177.3	-57.7	-98.1	0	0	0	110.1	L35 I49 L51 F67 V68 C70 V89 R90 V91	L35-Y80 HydrophobicContact CD2-CD2 4.48Å; I49-Y80 HydrophobicContact CD1-CG 4.47Å; I49-Y80 HydrophobicContact CG2-CD1 3.61Å; I49-Y80 HydrophobicContact CG2-CE1 3.5Å; I49-Y80 VanDerWaalsContact CG2-CE1 3.5Å; I49-Y80 HydrophobicContact CG2-CG 4.31Å; L51-Y80 HydrophobicContact CD2-CE2 4.19Å; L51-Y80 VanDerWaalsContact CD2-OH 3.26Å; L51-Y80 WeakPolarHBondContact CD2-OH 3.42Å; F67-Y80 VanDerWaalsContact CA-O 3.25Å; F67-Y80 WeakPolarHBondContact CA-O 3.49Å; V68-Y80 HydrophobicContact CG2-CD2 4.3Å; V68-Y80 HydrophobicContact CG2-CG 4.4Å; V68-Y80 PolarHBondContact N-O 3.26Å; V68-Y80 PolarHBondContact O-N 3.3Å; C70-Y80 VanDerWaalsContact SG-CE2 3.56Å; Y80-V89 HydrophobicContact CD1-CG1 4.35Å; Y80-R90 WeakPolarHBondContact CA-O 3.35Å; Y80-V91 HydrophobicContact CD1-CG2 3.96Å; Y80-V91 HydrophobicContact CE1-CB 4.45Å; Y80-V91 HydrophobicContact CE1-CG2 3.45Å; Y80-V91 VanDerWaalsContact CE1-CG2 3.45Å
81	S	93.9	Very high	86.8	Confident	22 Å²	22	61.2 Å²	61.2	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124	173.7	-174.7	0	0	0	0	110.2	R90	S81-R90 PolarHBondContact N-O 3.03Å
82	L	89.8	Confident	86.5	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.11	32%	0.322	C	S	.	.	S	Bend	trans	-84.2	-26.3	177.8	-57.8	-175.3	0	0	0	112.6	I37 I49 Y61 N66 V68 T84 V89	I37-L82 HydrophobicContact CD1-CD1 3.52Å; I37-L82 HydrophobicContact CD1-CD2 3.38Å; I37-L82 HydrophobicContact CD1-CG 4.1Å; I49-L82 HydrophobicContact CD1-CD2 4.3Å; Y61-L82 HydrophobicContact CE2-CD1 4.07Å; N66-L82 WeakPolarHBondContact O-CB 3.36Å; N66-L82 PolarHBondContact O-N 3.3Å; V68-L82 HydrophobicContact CG1-CD1 3.99Å; V68-L82 HydrophobicContact CG1-CD2 4.46Å; V68-L82 HydrophobicContact CG1-CG 4.44Å; V68-L82 HydrophobicContact CG2-CD2 4.01Å; L82-T84 PolarHBondContact O-N 3.31Å; L82-V89 HydrophobicContact CD2-CG1 4.21Å; L82-V89 HydrophobicContact CD2-CG2 4.19Å
83	K	78.7	Confident	86.3	Confident	151 Å²	151	68.5 Å²	68.5	66%	0.657	34%	0.341	S	S	*	.			trans	-96.3	76	178	-69.7	-172.9	-177	160	0	110.5	N66	N66-K83 VanDerWaalsContact OD1-CD 3.23Å; N66-K83 WeakPolarHBondContact OD1-CD 3.32Å; N66-K83 WeakPolarHBondContact OD1-CE 3.39Å; N66-K83 PolarHBondContact OD1-NZ 2.7Å
84	T	64.7	Low	86.3	Confident	43 Å²	43	67.1 Å²	67.1	26%	0.264	33%	0.331	S	S	.	.			trans	-100.3	135.5	170	58	0	0	0	0	110.5	L82 E86 G87 N88	L82-T84 PolarHBondContact O-N 3.31Å; T84-E86 PolarHBondContact O-N 3.1Å; T84-G87 PolarHBondContact O-N 3Å; T84-N88 PolarHBondContact OG1-O 2.94Å
85	R	61.6	Low	86.4	Confident	266 Å²	266	64.6 Å²	64.6	100%	1.004	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	176.4	-68.8	-177.7	178.7	-178	-0.2	113.1
86	E	61.2	Low	86.2	Confident	131 Å²	131	66.4 Å²	66.4	61%	0.612	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.7	-175	-63.6	176.9	-169.1	0	0	113.4	T84 N88 R90	T84-E86 PolarHBondContact O-N 3.1Å; E86-N88 PolarHBondContact O-N 3.45Å; E86-R90 IonicContact OE2-CZ 2.78Å; E86-R90 IonicContact OE2-NH1 2.87Å; E86-R90 PolarHBondContact OE2-NH1 2.78Å; E86-R90 IonicContact OE2-NH2 3.69Å; E86-R90 PolarHBondContact OE2-NH2 3.39Å
87	G	67.5	Low	85.7	Confident	58 Å²	58	66.5 Å²	66.5	60%	0.598	35%	0.345	S	S	*	.	S	Bend	trans	74.3	-15.2	176.4	0	0	0	0	0	116	T84	T84-G87 PolarHBondContact O-N 3Å
88	N	77	Confident	85.6	Confident	109 Å²	109	67.1 Å²	67.1	58%	0.583	35%	0.348	S	S	*	.	S	Bend	trans	-94.1	125.9	175.7	-75.1	-18.6	0	0	0	111.4	T84 E86 R90	T84-N88 PolarHBondContact OG1-O 2.94Å; E86-N88 PolarHBondContact O-N 3.45Å; N88-R90 PolarHBondContact O-N 2.78Å
89	V	85.1	Confident	85.6	Confident	36 Å²	36	72.5 Å²	72.5	22%	0.218	38%	0.38	C	S	.	.			trans	-67.2	125.9	172.8	-179.8	0	0	0	0	108.9	H47 I49 Y80 L82	H47-V89 HydrophobicContact CB-CG2 4.4Å; I49-V89 HydrophobicContact CD1-CB 4.45Å; I49-V89 HydrophobicContact CD1-CG1 3.64Å; I49-V89 HydrophobicContact CG1-CB 4.1Å; I49-V89 HydrophobicContact CG1-CG1 3.74Å; I49-V89 HydrophobicContact CG1-CG2 4.43Å; Y80-V89 HydrophobicContact CD1-CG1 4.35Å; L82-V89 HydrophobicContact CD2-CG1 4.21Å; L82-V89 HydrophobicContact CD2-CG2 4.19Å
90	R	85.6	Confident	85.5	Confident	139 Å²	139	73.2 Å²	73.2	53%	0.525	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.4	177.7	-69	-172.6	178.6	145.4	10.3	110.5	Y80 S81 E86 N88 S92	Y80-R90 WeakPolarHBondContact CA-O 3.35Å; S81-R90 PolarHBondContact N-O 3.03Å; E86-R90 IonicContact OE2-CZ 2.78Å; E86-R90 IonicContact OE2-NH1 2.87Å; E86-R90 PolarHBondContact OE2-NH1 2.78Å; E86-R90 IonicContact OE2-NH2 3.69Å; E86-R90 PolarHBondContact OE2-NH2 3.39Å; N88-R90 PolarHBondContact O-N 2.78Å; R90-S92 PolarHBondContact O-N 2.89Å
91	V	89.8	Confident	85.6	Confident	53 Å²	53	75.2 Å²	75.2	32%	0.321	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	119.1	166.8	-177.1	0	0	0	0	107.7	Y80 E94	Y80-V91 HydrophobicContact CD1-CG2 3.96Å; Y80-V91 HydrophobicContact CE1-CB 4.45Å; Y80-V91 HydrophobicContact CE1-CG2 3.45Å; Y80-V91 VanDerWaalsContact CE1-CG2 3.45Å; V91-E94 HydrophobicContact CG1-CG 3.79Å
92	S	90.3	Very high	85.8	Confident	54 Å²	54	74.2 Å²	74.2	38%	0.378	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-43.2	175.2	-168.9	0	0	0	0	110.8	I79 R90	I79-S92 WeakPolarHBondContact O-CB 3.49Å; I79-S92 PolarHBondContact O-N 2.81Å; R90-S92 PolarHBondContact O-N 2.89Å
93	R	94.2	Very high	86.2	Confident	101 Å²	101	73.7 Å²	73.7	38%	0.381	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.6	-178.1	-163.2	69.2	68.9	-153.3	4.7	110.6	I79 L95 I127 E128	I79-R93 HydrophobicContact CB-CB 4.43Å; I79-R93 PolarHBondContact N-O 2.99Å; I79-R93 PolarHBondContact O-N 3.33Å; R93-L95 HydrophobicContact CG-CD2 3.82Å; R93-I127 HydrophobicContact CB-CG2 4.48Å; R93-I127 PolarHBondContact NE-O 3.28Å; R93-E128 PolarHBondContact NH2-O 2.79Å
94	E	95.8	Very high	87.2	Confident	61 Å²	61	66.9 Å²	66.9	29%	0.285	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	166.3	-71.5	172.2	-165.2	0	0	106.9	R52 I76 V91 P96	R52-E94 IonicContact CZ-OE1 3.68Å; R52-E94 IonicContact NE-OE1 3.81Å; R52-E94 IonicContact NH1-OE1 2.83Å; R52-E94 PolarHBondContact NH1-OE1 3.5Å; R52-E94 IonicContact NH1-OE2 3.46Å; R52-E94 PolarHBondContact NH1-OE2 2.92Å; R52-E94 IonicContact NH2-OE1 3.83Å; R52-E94 PolarHBondContact NH2-OE1 2.82Å; I76-E94 HydrophobicContact CG2-CB 3.87Å; I76-E94 HydrophobicContact CG2-CG 4.24Å; V91-E94 HydrophobicContact CG1-CG 3.79Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 WeakPolarHBondContact O-CD 3.33Å
95	L	96.4	Very high	88.8	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	88.3	-179.2	-56.2	176.6	0	0	0	108.8	C77 I79 R93 I113 W125	C77-L95 HydrophobicContact CB-CB 4.16Å; C77-L95 HydrophobicContact CB-CD1 4.33Å; C77-L95 PolarHBondContact N-O 3.45Å; C77-L95 PolarHBondContact O-N 2.88Å; I79-L95 HydrophobicContact CD1-CD1 3.73Å; I79-L95 HydrophobicContact CD1-CG 4.25Å; R93-L95 HydrophobicContact CG-CD2 3.82Å; L95-I113 HydrophobicContact CD1-CG2 3.64Å; L95-W125 HydrophobicContact CB-CD2 4.18Å; L95-W125 HydrophobicContact CB-CE3 3.98Å; L95-W125 HydrophobicContact CB-CZ3 4.25Å; L95-W125 HydrophobicContact CD1-CB 3.74Å; L95-W125 HydrophobicContact CD1-CD2 4.12Å; L95-W125 HydrophobicContact CD1-CE3 4.43Å; L95-W125 HydrophobicContact CD1-CG 3.8Å; L95-W125 HydrophobicContact CD2-CE3 4.21Å; L95-W125 HydrophobicContact CG-CE3 4.44Å
96	P	93.2	Very high	90.5	Very high	84 Å²	84	55 Å²	55	55%	0.545	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.7	172.2	33.5	-33.3	0	0	0	110.1	I76 E94	I76-P96 HydrophobicContact CG1-CB 4.36Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 WeakPolarHBondContact O-CD 3.33Å
97	G	85.9	Confident	92.3	Very high	49 Å²	49	49.1 Å²	49.1	51%	0.505	28%	0.28	S	S	.	.			trans	165	-15.3	166.8	0	0	0	0	0	115.1
98	H	96.1	Very high	93.7	Very high	15 Å²	15	48.1 Å²	48.1	7%	0.069	26%	0.261	C	S	.	.			trans	-70.3	143.8	165.5	-77.4	-59.9	0	0	0	111.3	T115 S117 D119	H98-T115 PolarHBondContact NE2-OG1 2.81Å; H98-S117 VanDerWaalsContact CE1-CB 3.47Å; H98-S117 WeakPolarHBondContact CE1-CB 3.29Å; H98-S117 VanDerWaalsContact CG-CB 3.46Å; H98-S117 WeakPolarHBondContact ND1-CB 3.39Å; H98-S117 PolarHBondContact ND1-OG 3.26Å; H98-D119 VanDerWaalsContact CA-OD2 3.31Å; H98-D119 WeakPolarHBondContact CA-OD2 3.36Å; H98-D119 VanDerWaalsContact CB-OD2 3.31Å; H98-D119 WeakPolarHBondContact CB-OD2 3.32Å; H98-D119 IonicContact CG-OD2 3.95Å; H98-D119 IonicContact ND1-OD1 3.84Å; H98-D119 IonicContact ND1-OD2 3.67Å; H98-D119 PolarHBondContact ND1-OD2 3.48Å
99	T	96.7	Very high	94.6	Very high	121 Å²	121	46.2 Å²	46.2	74%	0.742	25%	0.251	S	S	*	.	S	Bend	trans	-97.4	-7.8	176	53.7	0	0	0	0	112.1	N75 D119	N75-T99 PolarHBondContact ND2-O 2.91Å; T99-D119 PolarHBondContact N-OD2 3.2Å; T99-D119 WeakPolarHBondContact OG1-CB 3.16Å
100	G	96.8	Very high	95.2	Very high	14 Å²	14	46.2 Å²	46.2	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	-121.4	177	174.5	0	0	0	0	0	112.2	N75 S117	N75-G100 VanDerWaalsContact CB-O 3.26Å; N75-G100 WeakPolarHBondContact CB-O 2.98Å; N75-G100 VanDerWaalsContact CG-C 3.42Å; N75-G100 PolarHBondContact OD1-O 3.33Å; G100-S117 PolarHBondContact O-OG 2.89Å
101	Y	97.6	Very high	95.7	Very high	51 Å²	51	43.6 Å²	43.6	20%	0.2	25%	0.246	C	C	.	.			trans	-65.3	146.6	-179	60.3	-94.8	0	0	0	111.6	M57 G72 L73 N75 S103 S117 G118 D142	M57-Y101 HydrophobicContact CE-CD2 3.6Å; M57-Y101 HydrophobicContact CE-CE2 3.68Å; M57-Y101 HydrophobicContact SD-CD2 3.56Å; M57-Y101 VanDerWaalsContact SD-CD2 3.56Å; M57-Y101 HydrophobicContact SD-CE2 4.28Å; M57-Y101 HydrophobicContact SD-CG 4.09Å; G72-Y101 WeakPolarHBondContact O-CA 3.36Å; L73-Y101 HydrophobicContact CD2-CD1 4.5Å; L73-Y101 HydrophobicContact CD2-CG 4.14Å; N75-Y101 WeakPolarHBondContact OD1-CA 3.37Å; N75-Y101 PolarHBondContact OD1-N 2.89Å; Y101-S103 PolarHBondContact O-N 2.8Å; Y101-S117 CarbonylContact O-C 3.56Å; Y101-S117 VanDerWaalsContact O-CA 3.23Å; Y101-S117 WeakPolarHBondContact O-CA 3.25Å; Y101-S117 PolarHBondContact O-OG 3.16Å; Y101-G118 PolarHBondContact O-N 3.18Å; Y101-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y101-D142 VanDerWaalsContact OH-CB 3.26Å; Y101-D142 WeakPolarHBondContact OH-CB 3.36Å; Y101-D142 PolarHBondContact OH-OD2 2.86Å
102	L	98.3	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117	175.8	-156.8	77.4	0	0	0	110.2	M57 T58 G72 C77 T115	M57-L102 WeakPolarHBondContact CB-O 3.45Å; T58-L102 HydrophobicContact CG2-CD2 3.8Å; T58-L102 HydrophobicContact CG2-CG 4.2Å; G72-L102 PolarHBondContact O-N 2.83Å; C77-L102 HydrophobicContact CB-CD2 3.66Å; L102-T115 HydrophobicContact CD1-CG2 3.94Å; L102-T115 HydrophobicContact CD2-CG2 4.45Å
103	S	98.1	Very high	96.5	Very high	11 Å²	11	41.5 Å²	41.5	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-41.4	-176	60.3	0	0	0	0	113.3	T58 Y101 S116 V143 M144	T58-S103 WeakPolarHBondContact CB-O 3.48Å; Y101-S103 PolarHBondContact O-N 2.8Å; S103-S116 PolarHBondContact N-O 2.96Å; S103-S116 VanDerWaalsContact OG-C 3.32Å; S103-S116 WeakPolarHBondContact OG-CB 3.3Å; S103-S116 PolarHBondContact OG-O 2.89Å; S103-S116 VanDerWaalsContact OG-O 3.12Å; S103-S116 PolarHBondContact OG-OG 3.26Å; S103-V143 WeakPolarHBondContact CB-O 3.42Å; S103-V143 PolarHBondContact OG-O 3.4Å; S103-M144 WeakPolarHBondContact CB-O 3.31Å
104	C	98.4	Very high	96.6	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.7	179.5	-166.7	0	0	0	0	111.1	T58 T115 S116 L146	T58-C104 WeakPolarHBondContact OG1-CA 3.34Å; C104-T115 WeakPolarHBondContact O-CA 3.46Å; C104-S116 VanDerWaalsContact CB-OG 3.26Å; C104-S116 WeakPolarHBondContact CB-OG 3.46Å; C104-S116 PolarHBondContact N-OG 2.85Å; C104-S116 PolarHBondContact O-N 3.37Å; C104-L146 HydrophobicContact CB-CG 4.19Å
105	C	98.3	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.1	171.1	64	0	0	0	0	111.6	T58 A60 I113 I114 T115	T58-C105 HydrophobicContact CG2-CB 4.33Å; T58-C105 PolarHBondContact OG1-N 2.81Å; T58-C105 VanDerWaalsContact OG1-N 3.16Å; T58-C105 PolarHBondContact OG1-SG 3.23Å; T58-C105 VanDerWaalsContact OG1-SG 3.41Å; A60-C105 WeakPolarHBondContact CB-O 3.35Å; C105-I113 HydrophobicContact CB-CD1 4.09Å; C105-I113 HydrophobicContact CB-CG1 4.46Å; C105-I114 CarbonylContact C-O 3.53Å; C105-I114 WeakPolarHBondContact CA-O 3.16Å; C105-T115 HydrophobicContact CB-CG2 4.04Å
106	R	98.5	Very high	96.9	Very high	59 Å²	59	33.8 Å²	33.8	22%	0.223	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	132.2	175.9	-68.1	-65.5	179.5	-97.1	2.6	111.1	I113 I114 L146 L148	R106-I113 WeakPolarHBondContact O-CG1 2.95Å; R106-I114 PolarHBondContact N-O 3.47Å; R106-I114 PolarHBondContact O-N 3.47Å; R106-L146 HydrophobicContact CB-CD1 3.82Å; R106-L146 HydrophobicContact CG-CD1 3.54Å; R106-L148 HydrophobicContact CB-CD1 3.66Å; R106-L148 HydrophobicContact CB-CG 3.88Å; R106-L148 HydrophobicContact CG-CG 4.47Å
107	F	98.4	Very high	97.1	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.039	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.9	173	-71.7	-82.9	0	0	0	110.3	A60 A62 F67 A69 I79 D109 I113 I127 L148	A60-F107 HydrophobicContact CB-CD2 3.84Å; A60-F107 HydrophobicContact CB-CE2 3.97Å; A62-F107 HydrophobicContact CB-CB 4.43Å; A62-F107 HydrophobicContact CB-CD1 4.23Å; A62-F107 HydrophobicContact CB-CD2 3.89Å; A62-F107 HydrophobicContact CB-CE1 4.43Å; A62-F107 HydrophobicContact CB-CE2 4.11Å; A62-F107 HydrophobicContact CB-CG 3.94Å; A62-F107 HydrophobicContact CB-CZ 4.36Å; F67-F107 HydrophobicContact CB-CE1 4.33Å; F67-F107 HydrophobicContact CB-CZ 4.05Å; A69-F107 HydrophobicContact CB-CE2 3.56Å; A69-F107 HydrophobicContact CB-CZ 3.55Å; I79-F107 HydrophobicContact CG2-CE1 4.47Å; I79-F107 HydrophobicContact CG2-CZ 4.32Å; F107-D109 WeakPolarHBondContact CD1-O 3.26Å; F107-I113 HydrophobicContact CD1-CB 4.08Å; F107-I113 HydrophobicContact CD1-CD1 4.1Å; F107-I113 HydrophobicContact CD1-CG1 4.2Å; F107-I113 HydrophobicContact CD2-CD1 4.33Å; F107-I113 HydrophobicContact CE1-CB 4.38Å; F107-I113 HydrophobicContact CE1-CD1 3.92Å; F107-I113 HydrophobicContact CE1-CG1 4.46Å; F107-I113 HydrophobicContact CE2-CD1 4.15Å; F107-I113 HydrophobicContact CG-CD1 4.32Å; F107-I113 HydrophobicContact CG-CG1 4.38Å; F107-I113 HydrophobicContact CZ-CD1 3.95Å; F107-I127 HydrophobicContact CD1-CD1 3.92Å; F107-I127 HydrophobicContact CE1-CD1 3.68Å; F107-L148 VanDerWaalsContact O-CD1 3.24Å; F107-L148 WeakPolarHBondContact O-CD1 3.45Å
108	L	97.3	Very high	97.7	Very high	36 Å²	36	28 Å²	28	19%	0.188	15%	0.15	C	C	.	.	S	Bend	trans	-84.3	-44.8	162.7	-69.4	168.4	0	0	0	109.6	Q112 I114 L124 L148 V169	L108-Q112 HydrophobicContact CB-CB 4.12Å; L108-Q112 HydrophobicContact CD1-CB 4.09Å; L108-Q112 PolarHBondContact N-O 2.87Å; L108-I114 HydrophobicContact CD1-CD1 4.16Å; L108-I114 HydrophobicContact CD1-CG1 4.12Å; L108-I114 HydrophobicContact CD2-CD1 4.36Å; L108-I114 HydrophobicContact CG-CD1 4.34Å; L108-I114 HydrophobicContact CG-CG1 4.28Å; L108-L124 HydrophobicContact CD1-CD1 3.55Å; L108-L148 HydrophobicContact CD2-CD1 3.88Å; L108-L148 HydrophobicContact CD2-CD2 3.67Å; L108-L148 HydrophobicContact CD2-CG 4.39Å; L108-L148 HydrophobicContact CG-CD1 4.48Å; L108-L148 HydrophobicContact CG-CD2 4.5Å; L108-V169 HydrophobicContact CD1-CG1 3.58Å
109	D	96.6	Very high	97.8	Very high	69 Å²	69	28.6 Å²	28.6	37%	0.369	15%	0.154	S	C	.	.	S	Bend	trans	-153.8	-164	175.4	58.8	35.6	0	0	0	109.6	F107 N111 Q112	F107-D109 WeakPolarHBondContact CD1-O 3.26Å; D109-N111 PolarHBondContact O-N 3.39Å; D109-N111 WeakPolarHBondContact OD1-CA 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.43Å; D109-N111 PolarHBondContact OD1-N 2.85Å; D109-Q112 PolarHBondContact N-O 2.79Å; D109-Q112 PolarHBondContact OD1-N 2.9Å
110	D	96.4	Very high	97.9	Very high	36 Å²	36	25 Å²	25	19%	0.193	13%	0.132	C	C	.	.	S	Bend	trans	-73.1	-13.6	180	-79.9	3.9	0	0	0	113.8	S64 N66 F67 I127	S64-D110 WeakPolarHBondContact CB-OD1 3.12Å; S64-D110 WeakPolarHBondContact CB-OD2 3.47Å; S64-D110 PolarHBondContact OG-OD1 2.93Å; S64-D110 PolarHBondContact OG-OD2 2.88Å; N66-D110 PolarHBondContact ND2-OD2 3.22Å; F67-D110 HydrophobicContact CD2-CB 4.07Å; F67-D110 HydrophobicContact CE2-CB 3.83Å; D110-I127 WeakPolarHBondContact O-CD1 3.37Å
111	N	96.6	Very high	97.9	Very high	84 Å²	84	26 Å²	26	45%	0.449	14%	0.135	S	C	.	.	S	Bend	trans	-111.2	-19.5	-174.9	-70.4	21.9	0	0	0	112.7	D109 I127	D109-N111 PolarHBondContact O-N 3.39Å; D109-N111 WeakPolarHBondContact OD1-CA 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.43Å; D109-N111 PolarHBondContact OD1-N 2.85Å; N111-I127 WeakPolarHBondContact O-CB 3.16Å; N111-I127 VanDerWaalsContact O-CG1 3.32Å; N111-I127 WeakPolarHBondContact O-CG1 3.16Å; N111-I127 PolarHBondContact O-N 2.94Å
112	Q	97.5	Very high	98	Very high	64 Å²	64	23.6 Å²	23.6	30%	0.299	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.8	-176.1	-65.6	-170.6	-27.1	0	0	113	L108 D109 L124 W125	L108-Q112 HydrophobicContact CB-CB 4.12Å; L108-Q112 HydrophobicContact CD1-CB 4.09Å; L108-Q112 PolarHBondContact N-O 2.87Å; D109-Q112 PolarHBondContact N-O 2.79Å; D109-Q112 PolarHBondContact OD1-N 2.9Å; Q112-L124 HydrophobicContact CB-CD1 4.24Å; Q112-W125 WeakPolarHBondContact CA-O 3.15Å
113	I	98.3	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.8	176.1	-168.8	171.7	0	0	0	110.4	A69 I79 L95 C105 R106 F107 W125 I127	A69-I113 HydrophobicContact CB-CD1 3.57Å; I79-I113 HydrophobicContact CD1-CG2 4.29Å; L95-I113 HydrophobicContact CD1-CG2 3.64Å; C105-I113 HydrophobicContact CB-CD1 4.09Å; C105-I113 HydrophobicContact CB-CG1 4.46Å; R106-I113 WeakPolarHBondContact O-CG1 2.95Å; F107-I113 HydrophobicContact CD1-CB 4.08Å; F107-I113 HydrophobicContact CD1-CD1 4.1Å; F107-I113 HydrophobicContact CD1-CG1 4.2Å; F107-I113 HydrophobicContact CD2-CD1 4.33Å; F107-I113 HydrophobicContact CE1-CB 4.38Å; F107-I113 HydrophobicContact CE1-CD1 3.92Å; F107-I113 HydrophobicContact CE1-CG1 4.46Å; F107-I113 HydrophobicContact CE2-CD1 4.15Å; F107-I113 HydrophobicContact CG-CD1 4.32Å; F107-I113 HydrophobicContact CG-CG1 4.38Å; F107-I113 HydrophobicContact CZ-CD1 3.95Å; I113-W125 HydrophobicContact CG2-CB 3.82Å; I113-W125 HydrophobicContact CG2-CG 4.33Å; I113-W125 PolarHBondContact N-O 2.66Å; I113-W125 PolarHBondContact O-N 3.33Å; I113-I127 HydrophobicContact CB-CD1 4.16Å; I113-I127 HydrophobicContact CB-CG1 4.46Å; I113-I127 HydrophobicContact CG2-CD1 4.18Å; I113-I127 HydrophobicContact CG2-CG1 3.96Å
114	I	98.3	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.7	171.6	-53.7	-172.1	0	0	0	109	C105 R106 L108 A123 L124 L146 L148 F155 V169	C105-I114 CarbonylContact C-O 3.53Å; C105-I114 WeakPolarHBondContact CA-O 3.16Å; R106-I114 PolarHBondContact N-O 3.47Å; R106-I114 PolarHBondContact O-N 3.47Å; L108-I114 HydrophobicContact CD1-CD1 4.16Å; L108-I114 HydrophobicContact CD1-CG1 4.12Å; L108-I114 HydrophobicContact CD2-CD1 4.36Å; L108-I114 HydrophobicContact CG-CD1 4.34Å; L108-I114 HydrophobicContact CG-CG1 4.28Å; I114-A123 CarbonylContact C-O 3.56Å; I114-A123 VanDerWaalsContact CA-O 3.3Å; I114-A123 WeakPolarHBondContact CA-O 3.4Å; I114-L124 HydrophobicContact CD1-CD1 4.4Å; I114-L124 HydrophobicContact CG1-CD1 3.7Å; I114-L146 HydrophobicContact CG2-CD2 3.83Å; I114-L148 HydrophobicContact CD1-CD2 3.57Å; I114-L148 HydrophobicContact CG1-CD2 4.35Å; I114-F155 HydrophobicContact CD1-CD1 3.68Å; I114-F155 HydrophobicContact CD1-CE1 4.01Å; I114-F155 HydrophobicContact CD1-CG 4.21Å; I114-F155 HydrophobicContact CG2-CE1 4.39Å; I114-F155 HydrophobicContact CG2-CE2 4.35Å; I114-F155 HydrophobicContact CG2-CZ 4.24Å; I114-V169 HydrophobicContact CD1-CG1 4.43Å; I114-V169 HydrophobicContact CD1-CG2 3.87Å
115	T	98.6	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.2	174.8	57.7	0	0	0	0	111.5	C77 H98 L102 C104 C105 C122 A123 W125	C77-T115 HydrophobicContact CB-CG2 4.03Å; H98-T115 PolarHBondContact NE2-OG1 2.81Å; L102-T115 HydrophobicContact CD1-CG2 3.94Å; L102-T115 HydrophobicContact CD2-CG2 4.45Å; C104-T115 WeakPolarHBondContact O-CA 3.46Å; C105-T115 HydrophobicContact CB-CG2 4.04Å; T115-C122 CarbonylContact O-C 3.59Å; T115-C122 WeakPolarHBondContact O-CA 3.49Å; T115-C122 VanDerWaalsContact O-CB 3.22Å; T115-C122 WeakPolarHBondContact O-CB 3.41Å; T115-A123 PolarHBondContact N-O 3.38Å; T115-A123 PolarHBondContact O-N 3.05Å; T115-W125 PolarHBondContact OG1-NE1 2.93Å
116	S	98.4	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.6	165.5	55.5	0	0	0	0	110.4	S103 C104	S103-S116 PolarHBondContact N-O 2.96Å; S103-S116 VanDerWaalsContact OG-C 3.32Å; S103-S116 WeakPolarHBondContact OG-CB 3.3Å; S103-S116 PolarHBondContact OG-O 2.89Å; S103-S116 VanDerWaalsContact OG-O 3.12Å; S103-S116 PolarHBondContact OG-OG 3.26Å; C104-S116 VanDerWaalsContact CB-OG 3.26Å; C104-S116 WeakPolarHBondContact CB-OG 3.46Å; C104-S116 PolarHBondContact N-OG 2.85Å; C104-S116 PolarHBondContact O-N 3.37Å
117	S	98.6	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.3	-172.9	174.6	0	0	0	0	112.9	H98 G100 Y101 D119 T120 T121 V143	H98-S117 VanDerWaalsContact CE1-CB 3.47Å; H98-S117 WeakPolarHBondContact CE1-CB 3.29Å; H98-S117 VanDerWaalsContact CG-CB 3.46Å; H98-S117 WeakPolarHBondContact ND1-CB 3.39Å; H98-S117 PolarHBondContact ND1-OG 3.26Å; G100-S117 PolarHBondContact O-OG 2.89Å; Y101-S117 CarbonylContact O-C 3.56Å; Y101-S117 VanDerWaalsContact O-CA 3.23Å; Y101-S117 WeakPolarHBondContact O-CA 3.25Å; Y101-S117 PolarHBondContact O-OG 3.16Å; S117-D119 VanDerWaalsContact CB-OD1 3.3Å; S117-D119 WeakPolarHBondContact CB-OD1 3.25Å; S117-D119 PolarHBondContact O-N 2.83Å; S117-D119 PolarHBondContact OG-N 3.42Å; S117-D119 VanDerWaalsContact OG-N 3.12Å; S117-D119 PolarHBondContact OG-OD1 3.28Å; S117-D119 PolarHBondContact OG-OD2 3.22Å; S117-T120 PolarHBondContact O-N 3.26Å; S117-T121 PolarHBondContact N-O 3.03Å; S117-V143 PolarHBondContact O-N 2.59Å
118	G	98.3	Very high	97.7	Very high	11 Å²	11	28.9 Å²	28.9	11%	0.113	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-4.3	168.4	0	0	0	0	0	113.9	Y101 T120	Y101-G118 PolarHBondContact O-N 3.18Å; G118-T120 PolarHBondContact O-N 3.07Å
119	D	98.1	Very high	97.6	Very high	28 Å²	28	31.2 Å²	31.2	15%	0.15	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	13.7	169.6	62.3	30.6	0	0	0	114.1	H98 T99 S117 T121	H98-D119 VanDerWaalsContact CA-OD2 3.31Å; H98-D119 WeakPolarHBondContact CA-OD2 3.36Å; H98-D119 VanDerWaalsContact CB-OD2 3.31Å; H98-D119 WeakPolarHBondContact CB-OD2 3.32Å; H98-D119 IonicContact CG-OD2 3.95Å; H98-D119 IonicContact ND1-OD1 3.84Å; H98-D119 IonicContact ND1-OD2 3.67Å; H98-D119 PolarHBondContact ND1-OD2 3.48Å; T99-D119 PolarHBondContact N-OD2 3.2Å; T99-D119 WeakPolarHBondContact OG1-CB 3.16Å; S117-D119 VanDerWaalsContact CB-OD1 3.3Å; S117-D119 WeakPolarHBondContact CB-OD1 3.25Å; S117-D119 PolarHBondContact O-N 2.83Å; S117-D119 PolarHBondContact OG-N 3.42Å; S117-D119 VanDerWaalsContact OG-N 3.12Å; S117-D119 PolarHBondContact OG-OD1 3.28Å; S117-D119 PolarHBondContact OG-OD2 3.22Å; D119-T121 VanDerWaalsContact C-N 3.26Å; D119-T121 PolarHBondContact O-N 3.32Å; D119-T121 WeakPolarHBondContact OD1-CB 3.4Å; D119-T121 PolarHBondContact OD1-N 3.37Å; D119-T121 PolarHBondContact OD1-OG1 3.11Å
120	T	98.3	Very high	97.5	Very high	45 Å²	45	28.5 Å²	28.5	28%	0.276	16%	0.157	S	C	.	.	S	Bend	trans	71.8	8.4	-178.8	77.7	0	0	0	0	115.3	S117 G118 G141	S117-T120 PolarHBondContact O-N 3.26Å; G118-T120 PolarHBondContact O-N 3.07Å; T120-G141 WeakPolarHBondContact CG2-O 3.41Å
121	T	98	Very high	97.5	Very high	36 Å²	36	32.9 Å²	32.9	22%	0.221	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.6	-178.6	75.1	0	0	0	0	113.3	S117 D119 A137	S117-T121 PolarHBondContact N-O 3.03Å; D119-T121 VanDerWaalsContact C-N 3.26Å; D119-T121 PolarHBondContact O-N 3.32Å; D119-T121 WeakPolarHBondContact OD1-CB 3.4Å; D119-T121 PolarHBondContact OD1-N 3.37Å; D119-T121 PolarHBondContact OD1-OG1 3.11Å; T121-A137 HydrophobicContact CG2-CB 4.44Å
122	C	98.4	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.7	158.7	-56.4	0	0	0	0	109.7	T115 F136 F155	T115-C122 CarbonylContact O-C 3.59Å; T115-C122 WeakPolarHBondContact O-CA 3.49Å; T115-C122 VanDerWaalsContact O-CB 3.22Å; T115-C122 WeakPolarHBondContact O-CB 3.41Å; C122-F136 HydrophobicContact CB-CB 3.99Å; C122-F136 HydrophobicContact CB-CD2 3.95Å; C122-F136 HydrophobicContact CB-CG 4.4Å; C122-F136 PolarHBondContact N-O 2.8Å; C122-F136 PolarHBondContact O-N 2.96Å; C122-F155 HydrophobicContact CB-CE2 4.15Å; C122-F155 HydrophobicContact CB-CZ 4.12Å
123	A	98.1	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.1	179.4	0	0	0	0	0	111.7	I114 T115 W125 Q132 V134	I114-A123 CarbonylContact C-O 3.56Å; I114-A123 VanDerWaalsContact CA-O 3.3Å; I114-A123 WeakPolarHBondContact CA-O 3.4Å; T115-A123 PolarHBondContact N-O 3.38Å; T115-A123 PolarHBondContact O-N 3.05Å; A123-W125 HydrophobicContact CB-CZ2 4Å; A123-Q132 HydrophobicContact CB-CG 4.02Å; A123-V134 WeakPolarHBondContact CA-O 3.38Å
124	L	98.1	Very high	97.3	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.6	167.1	178.7	67.3	0	0	0	108.6	L108 Q112 I114 T133 V134 F136 V169	L108-L124 HydrophobicContact CD1-CD1 3.55Å; Q112-L124 HydrophobicContact CB-CD1 4.24Å; I114-L124 HydrophobicContact CD1-CD1 4.4Å; I114-L124 HydrophobicContact CG1-CD1 3.7Å; L124-T133 WeakPolarHBondContact CD2-OG1 3.24Å; L124-T133 VanDerWaalsContact CG-OG1 3.24Å; L124-T133 WeakPolarHBondContact CG-OG1 3.24Å; L124-T133 PolarHBondContact O-N 3.09Å; L124-T133 PolarHBondContact O-OG1 3.41Å; L124-V134 HydrophobicContact CB-CB 4Å; L124-V134 HydrophobicContact CB-CG2 4.48Å; L124-V134 HydrophobicContact CD2-CB 4.43Å; L124-V134 HydrophobicContact CD2-CG2 4.04Å; L124-V134 PolarHBondContact N-O 3.41Å; L124-V134 PolarHBondContact O-N 2.96Å; L124-F136 HydrophobicContact CB-CE2 3.91Å; L124-F136 HydrophobicContact CB-CZ 4.26Å; L124-V169 HydrophobicContact CD1-CG1 4.38Å; L124-V169 HydrophobicContact CD2-CG1 4Å
125	W	98.1	Very high	97.2	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.6	-176.7	-57.8	83.6	0	0	0	111.3	L95 Q112 I113 T115 A123 Q132	L95-W125 HydrophobicContact CB-CD2 4.18Å; L95-W125 HydrophobicContact CB-CE3 3.98Å; L95-W125 HydrophobicContact CB-CZ3 4.25Å; L95-W125 HydrophobicContact CD1-CB 3.74Å; L95-W125 HydrophobicContact CD1-CD2 4.12Å; L95-W125 HydrophobicContact CD1-CE3 4.43Å; L95-W125 HydrophobicContact CD1-CG 3.8Å; L95-W125 HydrophobicContact CD2-CE3 4.21Å; L95-W125 HydrophobicContact CG-CE3 4.44Å; Q112-W125 WeakPolarHBondContact CA-O 3.15Å; I113-W125 HydrophobicContact CG2-CB 3.82Å; I113-W125 HydrophobicContact CG2-CG 4.33Å; I113-W125 PolarHBondContact N-O 2.66Å; I113-W125 PolarHBondContact O-N 3.33Å; T115-W125 PolarHBondContact OG1-NE1 2.93Å; A123-W125 HydrophobicContact CB-CZ2 4Å; W125-Q132 HydrophobicContact CD2-CB 4.4Å; W125-Q132 HydrophobicContact CE3-CB 4.01Å; W125-Q132 HydrophobicContact CH2-CB 4.13Å; W125-Q132 HydrophobicContact CZ3-CB 3.87Å
126	D	97.4	Very high	97.2	Very high	37 Å²	37	35.9 Å²	35.9	20%	0.198	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.5	162.2	178.1	-63.3	0	0	0	108.3	E128 T129 G130 Q131 T133	D126-E128 VanDerWaalsContact C-N 3.34Å; D126-E128 PolarHBondContact OD1-N 3.45Å; D126-E128 VanDerWaalsContact OD1-N 3.07Å; D126-T129 WeakPolarHBondContact CB-OG1 3.24Å; D126-T129 VanDerWaalsContact CG-OG1 3.26Å; D126-T129 WeakPolarHBondContact OD1-CB 3.21Å; D126-T129 WeakPolarHBondContact OD1-CG2 3.3Å; D126-T129 PolarHBondContact OD1-N 2.89Å; D126-T129 PolarHBondContact OD1-OG1 2.87Å; D126-G130 VanDerWaalsContact O-CA 3.26Å; D126-G130 WeakPolarHBondContact O-CA 3.4Å; D126-G130 PolarHBondContact O-N 2.88Å; D126-Q131 PolarHBondContact N-O 3.36Å; D126-Q131 PolarHBondContact O-N 2.84Å; D126-T133 HydrophobicContact CB-CG2 3.57Å
127	I	96.7	Very high	97.1	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.051	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.7	-173.3	-62	171.5	0	0	0	111.2	I79 R93 F107 D110 N111 I113	I79-I127 HydrophobicContact CD1-CB 4.13Å; I79-I127 HydrophobicContact CD1-CD1 3.81Å; I79-I127 HydrophobicContact CD1-CG1 3.56Å; I79-I127 HydrophobicContact CD1-CG2 3.6Å; I79-I127 HydrophobicContact CG2-CG2 4.47Å; R93-I127 HydrophobicContact CB-CG2 4.48Å; R93-I127 PolarHBondContact NE-O 3.28Å; F107-I127 HydrophobicContact CD1-CD1 3.92Å; F107-I127 HydrophobicContact CE1-CD1 3.68Å; D110-I127 WeakPolarHBondContact O-CD1 3.37Å; N111-I127 WeakPolarHBondContact O-CB 3.16Å; N111-I127 VanDerWaalsContact O-CG1 3.32Å; N111-I127 WeakPolarHBondContact O-CG1 3.16Å; N111-I127 PolarHBondContact O-N 2.94Å; I113-I127 HydrophobicContact CB-CD1 4.16Å; I113-I127 HydrophobicContact CB-CG1 4.46Å; I113-I127 HydrophobicContact CG2-CD1 4.18Å; I113-I127 HydrophobicContact CG2-CG1 3.96Å
128	E	94.8	Very high	97	Very high	137 Å²	137	41.5 Å²	41.5	64%	0.64	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-50.6	-178.3	-175.8	174.2	179.5	0	0	110.4	R93 D126	R93-E128 PolarHBondContact NH2-O 2.79Å; D126-E128 VanDerWaalsContact C-N 3.34Å; D126-E128 PolarHBondContact OD1-N 3.45Å; D126-E128 VanDerWaalsContact OD1-N 3.07Å
129	T	95.5	Very high	97	Very high	86 Å²	86	41.6 Å²	41.6	53%	0.528	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.1	179.9	62.8	0	0	0	0	113.1	D126 Q131	D126-T129 WeakPolarHBondContact CB-OG1 3.24Å; D126-T129 VanDerWaalsContact CG-OG1 3.26Å; D126-T129 WeakPolarHBondContact OD1-CB 3.21Å; D126-T129 WeakPolarHBondContact OD1-CG2 3.3Å; D126-T129 PolarHBondContact OD1-N 2.89Å; D126-T129 PolarHBondContact OD1-OG1 2.87Å; T129-Q131 PolarHBondContact O-N 2.79Å; T129-Q131 PolarHBondContact OG1-N 2.97Å
130	G	95.4	Very high	97	Very high	12 Å²	12	45.3 Å²	45.3	12%	0.124	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	18.5	-174.4	0	0	0	0	0	113.7	D126	D126-G130 VanDerWaalsContact O-CA 3.26Å; D126-G130 WeakPolarHBondContact O-CA 3.4Å; D126-G130 PolarHBondContact O-N 2.88Å
131	Q	96.1	Very high	97	Very high	128 Å²	128	43.8 Å²	43.8	60%	0.598	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	148.9	-177.1	-62.7	-61.1	-50.1	0	0	111.4	D126 T129 T133	D126-Q131 PolarHBondContact N-O 3.36Å; D126-Q131 PolarHBondContact O-N 2.84Å; T129-Q131 PolarHBondContact O-N 2.79Å; T129-Q131 PolarHBondContact OG1-N 2.97Å; Q131-T133 PolarHBondContact O-N 2.76Å
132	Q	96.6	Very high	97	Very high	87 Å²	87	44.8 Å²	44.8	41%	0.407	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.8	168.1	-178.3	177.2	-14.5	0	0	109.3	A123 W125 V134	A123-Q132 HydrophobicContact CB-CG 4.02Å; W125-Q132 HydrophobicContact CD2-CB 4.4Å; W125-Q132 HydrophobicContact CE3-CB 4.01Å; W125-Q132 HydrophobicContact CH2-CB 4.13Å; W125-Q132 HydrophobicContact CZ3-CB 3.87Å; Q132-V134 WeakPolarHBondContact CG-O 3.49Å; Q132-V134 PolarHBondContact NE2-O 3.16Å
133	T	95.4	Very high	97	Very high	69 Å²	69	44.7 Å²	44.7	42%	0.423	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-40.5	179.1	55.8	0	0	0	0	112.1	L124 D126 Q131	L124-T133 WeakPolarHBondContact CD2-OG1 3.24Å; L124-T133 VanDerWaalsContact CG-OG1 3.24Å; L124-T133 WeakPolarHBondContact CG-OG1 3.24Å; L124-T133 PolarHBondContact O-N 3.09Å; L124-T133 PolarHBondContact O-OG1 3.41Å; D126-T133 HydrophobicContact CB-CG2 3.57Å; Q131-T133 PolarHBondContact O-N 2.76Å
134	V	96.2	Very high	97	Very high	24 Å²	24	47 Å²	47	15%	0.145	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.8	178.8	-173.2	0	0	0	0	109.2	A123 L124 Q132 F136	A123-V134 WeakPolarHBondContact CA-O 3.38Å; L124-V134 HydrophobicContact CB-CB 4Å; L124-V134 HydrophobicContact CB-CG2 4.48Å; L124-V134 HydrophobicContact CD2-CB 4.43Å; L124-V134 HydrophobicContact CD2-CG2 4.04Å; L124-V134 PolarHBondContact N-O 3.41Å; L124-V134 PolarHBondContact O-N 2.96Å; Q132-V134 WeakPolarHBondContact CG-O 3.49Å; Q132-V134 PolarHBondContact NE2-O 3.16Å; V134-F136 HydrophobicContact CB-CE1 4.49Å; V134-F136 HydrophobicContact CB-CE2 4.34Å; V134-F136 HydrophobicContact CB-CZ 3.99Å; V134-F136 HydrophobicContact CG1-CD1 4.23Å; V134-F136 HydrophobicContact CG1-CE1 3.65Å; V134-F136 HydrophobicContact CG1-CE2 4.23Å; V134-F136 HydrophobicContact CG1-CZ 3.65Å
135	G	96.3	Very high	97	Very high	29 Å²	29	47.5 Å²	47.5	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.7	169	0	0	0	0	0	110.9	S172	G135-S172 VanDerWaalsContact O-CB 3.24Å; G135-S172 WeakPolarHBondContact O-CB 3.18Å
136	F	97.9	Very high	97.1	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	96.1	178	-51.2	-80	0	0	0	108.1	C122 L124 V134 F155 W167 D168 D171	C122-F136 HydrophobicContact CB-CB 3.99Å; C122-F136 HydrophobicContact CB-CD2 3.95Å; C122-F136 HydrophobicContact CB-CG 4.4Å; C122-F136 PolarHBondContact N-O 2.8Å; C122-F136 PolarHBondContact O-N 2.96Å; L124-F136 HydrophobicContact CB-CE2 3.91Å; L124-F136 HydrophobicContact CB-CZ 4.26Å; V134-F136 HydrophobicContact CB-CE1 4.49Å; V134-F136 HydrophobicContact CB-CE2 4.34Å; V134-F136 HydrophobicContact CB-CZ 3.99Å; V134-F136 HydrophobicContact CG1-CD1 4.23Å; V134-F136 HydrophobicContact CG1-CE1 3.65Å; V134-F136 HydrophobicContact CG1-CE2 4.23Å; V134-F136 HydrophobicContact CG1-CZ 3.65Å; F136-F155 HydrophobicContact CB-CZ 4.34Å; F136-F155 HydrophobicContact CD1-CE1 4.13Å; F136-F155 HydrophobicContact CD1-CZ 4.12Å; F136-F155 AromaticContact CD2-CE1 3.97Å; F136-F155 HydrophobicContact CD2-CE1 3.97Å; F136-F155 AromaticContact CD2-CZ 3.63Å; F136-F155 HydrophobicContact CD2-CZ 3.63Å; F136-F155 AromaticContact CE1-CE1 3.9Å; F136-F155 HydrophobicContact CE1-CE1 3.9Å; F136-F155 HydrophobicContact CE1-CZ 4.34Å; F136-F155 AromaticContact CE2-CE1 3.73Å; F136-F155 HydrophobicContact CE2-CE1 3.73Å; F136-F155 AromaticContact CE2-CZ 3.87Å; F136-F155 HydrophobicContact CE2-CZ 3.87Å; F136-F155 HydrophobicContact CG-CE1 4.17Å; F136-F155 AromaticContact CG-CZ 3.77Å; F136-F155 HydrophobicContact CG-CZ 3.77Å; F136-F155 AromaticContact CZ-CE1 3.71Å; F136-F155 HydrophobicContact CZ-CE1 3.71Å; F136-F155 HydrophobicContact CZ-CZ 4.23Å; F136-W167 HydrophobicContact CB-CD2 4.03Å; F136-W167 HydrophobicContact CB-CE3 3.82Å; F136-W167 HydrophobicContact CB-CH2 4.3Å; F136-W167 HydrophobicContact CB-CZ2 4.49Å; F136-W167 HydrophobicContact CB-CZ3 3.95Å; F136-W167 HydrophobicContact CD1-CB 4.18Å; F136-W167 HydrophobicContact CD1-CD2 4.25Å; F136-W167 AromaticContact CD1-CE3 3.89Å; F136-W167 HydrophobicContact CD1-CE3 3.89Å; F136-W167 HydrophobicContact CD1-CG 4.39Å; F136-W167 HydrophobicContact CE1-CB 4.46Å; F136-W167 HydrophobicContact CG-CD2 4.44Å; F136-W167 HydrophobicContact CG-CE3 4.28Å; F136-D168 VanDerWaalsContact CE1-O 3.27Å; F136-D168 WeakPolarHBondContact CE1-O 3.47Å; F136-D171 VanDerWaalsContact CE1-O 3.31Å; F136-D171 WeakPolarHBondContact CE1-O 3.42Å
137	A	96.4	Very high	97.1	Very high	75 Å²	75	46.6 Å²	46.6	62%	0.62	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.1	178.2	0	0	0	0	0	109.6	T121	T121-A137 HydrophobicContact CG2-CB 4.44Å
138	G	96.3	Very high	97.2	Very high	44 Å²	44	47.8 Å²	47.8	45%	0.454	29%	0.294	S	S	.	.			trans	163.9	-13.2	177.4	0	0	0	0	0	115.5	K165	G138-K165 WeakPolarHBondContact O-CE 3.33Å; G138-K165 PolarHBondContact O-NZ 2.86Å
139	H	98.3	Very high	97.3	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.06	27%	0.266	C	S	.	.			trans	-74	154.9	166	-79.1	-69.1	0	0	0	110.9	V143 S157 A159 D161 S163	H139-V143 HydrophobicContact CB-CG2 4.05Å; H139-S157 PolarHBondContact NE2-OG 3.16Å; H139-A159 HydrophobicContact CB-CB 4.28Å; H139-A159 VanDerWaalsContact ND1-CB 3.33Å; H139-A159 WeakPolarHBondContact ND1-CB 3.49Å; H139-D161 WeakPolarHBondContact CA-OD2 3.45Å; H139-D161 WeakPolarHBondContact CB-OD2 3.5Å; H139-D161 IonicContact CG-OD2 3.07Å; H139-D161 IonicContact ND1-OD1 3.32Å; H139-D161 PolarHBondContact ND1-OD1 2.8Å; H139-D161 IonicContact ND1-OD2 2.71Å; H139-D161 PolarHBondContact ND1-OD2 3.29Å; H139-S163 PolarHBondContact CE1-O 2.91Å; H139-S163 PolarHBondContact ND1-OG 3.22Å
140	S	98.1	Very high	97.3	Very high	106 Å²	106	41.5 Å²	41.5	74%	0.741	27%	0.267	S	S	*	.	S	Bend	trans	-112.7	4.4	176.1	55.2	0	0	0	0	113.5	D161	S140-D161 PolarHBondContact N-OD2 3.09Å; S140-D161 VanDerWaalsContact OG-CB 3.3Å; S140-D161 WeakPolarHBondContact OG-CB 3.39Å; S140-D161 PolarHBondContact OG-OD2 2.92Å
141	G	98.2	Very high	97.2	Very high	12 Å²	12	45.6 Å²	45.6	12%	0.124	29%	0.286	C	S	.	.	S	Bend	trans	-142.3	173.1	174.5	0	0	0	0	0	111	T120 V143	T120-G141 WeakPolarHBondContact CG2-O 3.41Å; G141-V143 PolarHBondContact O-N 3.34Å
142	D	98.7	Very high	97.1	Very high	57 Å²	57	40.9 Å²	40.9	31%	0.305	27%	0.272	S	S	.	.			trans	-54.5	127.6	-178.2	-61.4	13.1	0	0	0	110.5	Y101 M144 A159 C160	Y101-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y101-D142 VanDerWaalsContact OH-CB 3.26Å; Y101-D142 WeakPolarHBondContact OH-CB 3.36Å; Y101-D142 PolarHBondContact OH-OD2 2.86Å; D142-M144 HydrophobicContact CB-SD 4.39Å; D142-M144 PolarHBondContact O-N 3.08Å; D142-A159 CarbonylContact O-C 3.54Å; D142-A159 WeakPolarHBondContact O-CA 3.41Å; D142-A159 VanDerWaalsContact O-CB 3.29Å; D142-A159 WeakPolarHBondContact O-CB 3.47Å; D142-C160 HydrophobicContact CB-CB 4.41Å; D142-C160 PolarHBondContact O-N 2.9Å
143	V	98.8	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.7	176.3	-172.8	0	0	0	0	107.4	S103 S117 H139 G141 A159	S103-V143 WeakPolarHBondContact CB-O 3.42Å; S103-V143 PolarHBondContact OG-O 3.4Å; S117-V143 PolarHBondContact O-N 2.59Å; H139-V143 HydrophobicContact CB-CG2 4.05Å; G141-V143 PolarHBondContact O-N 3.34Å; V143-A159 HydrophobicContact CG2-CB 4.39Å
144	M	98.6	Very high	97.1	Very high	49 Å²	49	41.5 Å²	41.5	24%	0.241	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-33.1	-171.5	-65.9	-59.3	-73.2	0	0	113.1	S103 D142 G158 I185	S103-M144 WeakPolarHBondContact CB-O 3.31Å; D142-M144 HydrophobicContact CB-SD 4.39Å; D142-M144 PolarHBondContact O-N 3.08Å; M144-G158 PolarHBondContact N-O 3.28Å; M144-I185 WeakPolarHBondContact CB-O 3.15Å
145	S	98.1	Very high	97.2	Very high	17 Å²	17	40.3 Å²	40.3	12%	0.119	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.4	-175.9	-169.1	0	0	0	0	112.2	S157 G158 N186	S145-S157 WeakPolarHBondContact O-CA 3.36Å; S145-G158 PolarHBondContact N-O 3.38Å; S145-G158 PolarHBondContact O-N 3Å; S145-N186 VanDerWaalsContact CB-O 3.3Å; S145-N186 WeakPolarHBondContact CB-O 3.32Å
146	L	98.5	Very high	97.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.6	172.7	71.4	85.8	0	0	0	110.8	C104 R106 I114 F155 V156	C104-L146 HydrophobicContact CB-CG 4.19Å; R106-L146 HydrophobicContact CB-CD1 3.82Å; R106-L146 HydrophobicContact CG-CD1 3.54Å; I114-L146 HydrophobicContact CG2-CD2 3.83Å; L146-F155 HydrophobicContact CB-CD2 4.31Å; L146-V156 CarbonylContact C-O 3.49Å; L146-V156 WeakPolarHBondContact CA-O 3.44Å
147	S	98.6	Very high	97.3	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.1	171.8	-175.1	0	0	0	0	109.4	F155 V156 F190	S147-F155 VanDerWaalsContact O-CA 3.3Å; S147-F155 WeakPolarHBondContact O-CA 3.28Å; S147-F155 WeakPolarHBondContact O-CB 3.46Å; S147-V156 PolarHBondContact N-O 2.88Å; S147-V156 PolarHBondContact O-N 2.87Å; S147-F190 WeakPolarHBondContact O-CD2 3.47Å; S147-F190 WeakPolarHBondContact O-CE2 3.45Å; S147-F190 PolarHBondContact OG-N 3.17Å; S147-F190 VanDerWaalsContact OG-N 3.12Å
148	L	98.3	Very high	97.4	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.7	171.5	-65.8	174.5	0	0	0	110.4	R106 F107 L108 I114 F155 F190	R106-L148 HydrophobicContact CB-CD1 3.66Å; R106-L148 HydrophobicContact CB-CG 3.88Å; R106-L148 HydrophobicContact CG-CG 4.47Å; F107-L148 VanDerWaalsContact O-CD1 3.24Å; F107-L148 WeakPolarHBondContact O-CD1 3.45Å; L108-L148 HydrophobicContact CD2-CD1 3.88Å; L108-L148 HydrophobicContact CD2-CD2 3.67Å; L108-L148 HydrophobicContact CD2-CG 4.39Å; L108-L148 HydrophobicContact CG-CD1 4.48Å; L108-L148 HydrophobicContact CG-CD2 4.5Å; I114-L148 HydrophobicContact CD1-CD2 3.57Å; I114-L148 HydrophobicContact CG1-CD2 4.35Å; L148-F155 HydrophobicContact CD2-CB 3.88Å; L148-F190 WeakPolarHBondContact O-CD2 3.39Å
149	A	97.3	Very high	97.6	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	19%	0.193	C	C	.	.			trans	-68.7	152.7	167.3	0	0	0	0	0	110.1	D151 G152 T154 F190	A149-D151 WeakPolarHBondContact CB-OD1 3.34Å; A149-D151 PolarHBondContact O-N 2.91Å; A149-D151 VanDerWaalsContact O-N 3.09Å; A149-G152 PolarHBondContact O-N 3.48Å; A149-T154 VanDerWaalsContact CB-O 3.27Å; A149-T154 WeakPolarHBondContact CB-O 3.46Å; A149-T154 WeakPolarHBondContact CB-OG1 3.33Å; A149-T154 PolarHBondContact N-O 3.09Å; A149-F190 HydrophobicContact CB-CD1 4.4Å; A149-F190 HydrophobicContact CB-CD2 4.31Å; A149-F190 HydrophobicContact CB-CE1 4.02Å; A149-F190 HydrophobicContact CB-CE2 3.91Å; A149-F190 HydrophobicContact CB-CZ 3.75Å
150	P	95.5	Very high	97.6	Very high	85 Å²	85	34.3 Å²	34.3	55%	0.552	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.6	179.3	-26.1	34.8	0	0	0	115
151	D	93.8	Very high	97.6	Very high	98 Å²	98	31 Å²	31	52%	0.524	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.7	177.6	72.5	-5.8	0	0	0	113.9	A149 R153	A149-D151 WeakPolarHBondContact CB-OD1 3.34Å; A149-D151 PolarHBondContact O-N 2.91Å; A149-D151 VanDerWaalsContact O-N 3.09Å; D151-R153 HydrophobicContact CB-CG 4.36Å; D151-R153 PolarHBondContact O-N 2.81Å; D151-R153 WeakPolarHBondContact OD1-CB 3.26Å; D151-R153 PolarHBondContact OD1-N 3.14Å; D151-R153 WeakPolarHBondContact OD2-CD 3.47Å
152	G	93.7	Very high	97.6	Very high	30 Å²	30	31.4 Å²	31.4	31%	0.309	18%	0.178	S	C	.	.	S	Bend	trans	66.3	10.1	-178	0	0	0	0	0	115	A149	A149-G152 PolarHBondContact O-N 3.48Å
153	R	94.2	Very high	97.6	Very high	140 Å²	140	29.2 Å²	29.2	53%	0.528	17%	0.167	S	C	.	.	S	Bend	trans	-91.4	-30	-176.3	-61.9	-174.9	179.9	-163.3	1.6	113.2	D151 V169	D151-R153 HydrophobicContact CB-CG 4.36Å; D151-R153 PolarHBondContact O-N 2.81Å; D151-R153 WeakPolarHBondContact OD1-CB 3.26Å; D151-R153 PolarHBondContact OD1-N 3.14Å; D151-R153 WeakPolarHBondContact OD2-CD 3.47Å; R153-V169 WeakPolarHBondContact O-CB 3.4Å; R153-V169 WeakPolarHBondContact O-CG2 3.47Å; R153-V169 PolarHBondContact O-N 3.07Å
154	T	96.9	Very high	97.6	Very high	28 Å²	28	29.2 Å²	29.2	17%	0.172	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.4	179.2	60.5	0	0	0	0	110.4	A149 W167	A149-T154 VanDerWaalsContact CB-O 3.27Å; A149-T154 WeakPolarHBondContact CB-O 3.46Å; A149-T154 WeakPolarHBondContact CB-OG1 3.33Å; A149-T154 PolarHBondContact N-O 3.09Å; T154-W167 CarbonylContact C-O 3.57Å; T154-W167 WeakPolarHBondContact CA-O 3.33Å; T154-W167 WeakPolarHBondContact CB-O 3.27Å
155	F	98.4	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.9	169.8	73.4	-85.7	0	0	0	110.2	I114 C122 F136 L146 S147 L148 W167 V169	I114-F155 HydrophobicContact CD1-CD1 3.68Å; I114-F155 HydrophobicContact CD1-CE1 4.01Å; I114-F155 HydrophobicContact CD1-CG 4.21Å; I114-F155 HydrophobicContact CG2-CE1 4.39Å; I114-F155 HydrophobicContact CG2-CE2 4.35Å; I114-F155 HydrophobicContact CG2-CZ 4.24Å; C122-F155 HydrophobicContact CB-CE2 4.15Å; C122-F155 HydrophobicContact CB-CZ 4.12Å; F136-F155 HydrophobicContact CB-CZ 4.34Å; F136-F155 HydrophobicContact CD1-CE1 4.13Å; F136-F155 HydrophobicContact CD1-CZ 4.12Å; F136-F155 AromaticContact CD2-CE1 3.97Å; F136-F155 HydrophobicContact CD2-CE1 3.97Å; F136-F155 AromaticContact CD2-CZ 3.63Å; F136-F155 HydrophobicContact CD2-CZ 3.63Å; F136-F155 AromaticContact CE1-CE1 3.9Å; F136-F155 HydrophobicContact CE1-CE1 3.9Å; F136-F155 HydrophobicContact CE1-CZ 4.34Å; F136-F155 AromaticContact CE2-CE1 3.73Å; F136-F155 HydrophobicContact CE2-CE1 3.73Å; F136-F155 AromaticContact CE2-CZ 3.87Å; F136-F155 HydrophobicContact CE2-CZ 3.87Å; F136-F155 HydrophobicContact CG-CE1 4.17Å; F136-F155 AromaticContact CG-CZ 3.77Å; F136-F155 HydrophobicContact CG-CZ 3.77Å; F136-F155 AromaticContact CZ-CE1 3.71Å; F136-F155 HydrophobicContact CZ-CE1 3.71Å; F136-F155 HydrophobicContact CZ-CZ 4.23Å; L146-F155 HydrophobicContact CB-CD2 4.31Å; S147-F155 VanDerWaalsContact O-CA 3.3Å; S147-F155 WeakPolarHBondContact O-CA 3.28Å; S147-F155 WeakPolarHBondContact O-CB 3.46Å; L148-F155 HydrophobicContact CD2-CB 3.88Å; F155-W167 HydrophobicContact CD1-CB 3.8Å; F155-W167 HydrophobicContact CD2-CB 4.5Å; F155-W167 AromaticContact CD2-CD1 3.81Å; F155-W167 HydrophobicContact CD2-CG 4.47Å; F155-W167 HydrophobicContact CE1-CB 3.35Å; F155-W167 AromaticContact CE1-CG 3.91Å; F155-W167 HydrophobicContact CE1-CG 3.91Å; F155-W167 HydrophobicContact CE2-CB 4.12Å; F155-W167 AromaticContact CE2-CD1 3.28Å; F155-W167 AromaticContact CE2-CG 3.83Å; F155-W167 HydrophobicContact CE2-CG 3.83Å; F155-W167 AromaticContact CE2-NE1 3.96Å; F155-W167 HydrophobicContact CG-CB 4.35Å; F155-W167 HydrophobicContact CZ-CB 3.52Å; F155-W167 AromaticContact CZ-CD1 3.48Å; F155-W167 VanDerWaalsContact CZ-CD1 3.48Å; F155-W167 HydrophobicContact CZ-CD2 4.37Å; F155-W167 AromaticContact CZ-CG 3.51Å; F155-W167 HydrophobicContact CZ-CG 3.51Å; F155-W167 PolarHBondContact N-O 2.97Å; F155-W167 PolarHBondContact O-N 2.89Å; F155-V169 HydrophobicContact CD1-CG2 3.96Å
156	V	98.7	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.3	171.9	-67	0	0	0	0	109.8	L146 S147 I164 K165 L166 V188 F190 F197	L146-V156 CarbonylContact C-O 3.49Å; L146-V156 WeakPolarHBondContact CA-O 3.44Å; S147-V156 PolarHBondContact N-O 2.88Å; S147-V156 PolarHBondContact O-N 2.87Å; V156-I164 HydrophobicContact CB-CG2 4.14Å; V156-K165 CarbonylContact C-O 3.49Å; V156-K165 VanDerWaalsContact CA-O 3.24Å; V156-K165 WeakPolarHBondContact CA-O 3.46Å; V156-L166 HydrophobicContact CG1-CB 4.44Å; V156-L166 HydrophobicContact CG1-CD1 3.69Å; V156-V188 HydrophobicContact CG2-CB 4.19Å; V156-V188 HydrophobicContact CG2-CG2 4.14Å; V156-F190 HydrophobicContact CB-CE2 4.16Å; V156-F190 HydrophobicContact CB-CZ 4.46Å; V156-F190 HydrophobicContact CG1-CE1 4.44Å; V156-F190 HydrophobicContact CG1-CE2 3.85Å; V156-F190 HydrophobicContact CG1-CZ 3.66Å; V156-F190 HydrophobicContact CG2-CD2 3.94Å; V156-F190 HydrophobicContact CG2-CE2 3.66Å; V156-F190 HydrophobicContact CG2-CZ 4.28Å; V156-F197 HydrophobicContact CG1-CD1 3.91Å; V156-F197 HydrophobicContact CG1-CE1 4.11Å; V156-F197 HydrophobicContact CG1-CG 4.24Å; V156-F197 HydrophobicContact CG2-CB 4.36Å; V156-F197 HydrophobicContact CG2-CG 4.34Å
157	S	98.7	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.2	172.7	59.1	0	0	0	0	110.9	H139 S145 I164 K165 W167	H139-S157 PolarHBondContact NE2-OG 3.16Å; S145-S157 WeakPolarHBondContact O-CA 3.36Å; S157-I164 CarbonylContact O-C 3.6Å; S157-I164 VanDerWaalsContact O-CA 3.29Å; S157-I164 WeakPolarHBondContact O-CA 3.18Å; S157-I164 WeakPolarHBondContact O-CG2 3.3Å; S157-K165 PolarHBondContact N-O 3.07Å; S157-K165 PolarHBondContact O-N 3.11Å; S157-W167 PolarHBondContact OG-NE1 2.84Å
158	G	98.7	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.6	172.5	0	0	0	0	0	110.8	M144 S145	M144-G158 PolarHBondContact N-O 3.28Å; S145-G158 PolarHBondContact N-O 3.38Å; S145-G158 PolarHBondContact O-N 3Å
159	A	98.8	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	171.3	-173.1	0	0	0	0	0	113.3	H139 D142 V143 D161 A162 S163 I185	H139-A159 HydrophobicContact CB-CB 4.28Å; H139-A159 VanDerWaalsContact ND1-CB 3.33Å; H139-A159 WeakPolarHBondContact ND1-CB 3.49Å; D142-A159 CarbonylContact O-C 3.54Å; D142-A159 WeakPolarHBondContact O-CA 3.41Å; D142-A159 VanDerWaalsContact O-CB 3.29Å; D142-A159 WeakPolarHBondContact O-CB 3.47Å; V143-A159 HydrophobicContact CG2-CB 4.39Å; A159-D161 PolarHBondContact O-N 3.37Å; A159-A162 PolarHBondContact O-N 2.82Å; A159-S163 PolarHBondContact N-O 3.22Å; A159-I185 PolarHBondContact O-N 3.25Å; A159-I185 VanDerWaalsContact O-N 3.12Å
160	C	98.7	Very high	96.9	Very high	35 Å²	35	35.4 Å²	35.4	24%	0.236	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.3	173.5	-63.9	0	0	0	0	113.8	D142 A162 D184	D142-C160 HydrophobicContact CB-CB 4.41Å; D142-C160 PolarHBondContact O-N 2.9Å; C160-A162 PolarHBondContact O-N 3.09Å; C160-D184 HydrophobicContact CB-CB 4.33Å; C160-D184 VanDerWaalsContact SG-CG 3.58Å; C160-D184 PolarHBondContact SG-OD2 3.24Å
161	D	98.3	Very high	96.4	Very high	38 Å²	38	33.9 Å²	33.9	20%	0.203	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	11.4	170.2	63.2	19.9	0	0	0	113.2	H139 S140 A159 S163	H139-D161 WeakPolarHBondContact CA-OD2 3.45Å; H139-D161 WeakPolarHBondContact CB-OD2 3.5Å; H139-D161 IonicContact CG-OD2 3.07Å; H139-D161 IonicContact ND1-OD1 3.32Å; H139-D161 PolarHBondContact ND1-OD1 2.8Å; H139-D161 IonicContact ND1-OD2 2.71Å; H139-D161 PolarHBondContact ND1-OD2 3.29Å; S140-D161 PolarHBondContact N-OD2 3.09Å; S140-D161 VanDerWaalsContact OG-CB 3.3Å; S140-D161 WeakPolarHBondContact OG-CB 3.39Å; S140-D161 PolarHBondContact OG-OD2 2.92Å; A159-D161 PolarHBondContact O-N 3.37Å; D161-S163 VanDerWaalsContact CG-OG 3.23Å; D161-S163 PolarHBondContact O-N 2.95Å; D161-S163 VanDerWaalsContact O-N 3.09Å; D161-S163 WeakPolarHBondContact OD1-CA 3.5Å; D161-S163 VanDerWaalsContact OD1-CB 3.27Å; D161-S163 WeakPolarHBondContact OD1-CB 3.15Å; D161-S163 PolarHBondContact OD1-N 2.88Å; D161-S163 PolarHBondContact OD1-OG 2.98Å; D161-S163 PolarHBondContact OD2-OG 3.37Å
162	A	98.3	Very high	96	Very high	20 Å²	20	32.1 Å²	32.1	17%	0.165	17%	0.165	C	C	.	.	S	Bend	trans	57	16.2	-175.2	0	0	0	0	0	114.6	A159 C160 H181 S183	A159-A162 PolarHBondContact O-N 2.82Å; C160-A162 PolarHBondContact O-N 3.09Å; A162-H181 HydrophobicContact CB-CB 4.42Å; A162-S183 WeakPolarHBondContact CB-O 3.48Å
163	S	98.3	Very high	95.8	Very high	11 Å²	11	36 Å²	36	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150	177.2	82.1	0	0	0	0	112.4	H139 A159 D161 F178	H139-S163 PolarHBondContact CE1-O 2.91Å; H139-S163 PolarHBondContact ND1-OG 3.22Å; A159-S163 PolarHBondContact N-O 3.22Å; D161-S163 VanDerWaalsContact CG-OG 3.23Å; D161-S163 PolarHBondContact O-N 2.95Å; D161-S163 VanDerWaalsContact O-N 3.09Å; D161-S163 WeakPolarHBondContact OD1-CA 3.5Å; D161-S163 VanDerWaalsContact OD1-CB 3.27Å; D161-S163 WeakPolarHBondContact OD1-CB 3.15Å; D161-S163 PolarHBondContact OD1-N 2.88Å; D161-S163 PolarHBondContact OD1-OG 2.98Å; D161-S163 PolarHBondContact OD2-OG 3.37Å; S163-F178 WeakPolarHBondContact CA-O 3.5Å
164	I	98.7	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.5	168.3	-50.4	89.9	0	0	0	108.4	V156 S157 T177 F178 I185 F197 T199 F209	V156-I164 HydrophobicContact CB-CG2 4.14Å; S157-I164 CarbonylContact O-C 3.6Å; S157-I164 VanDerWaalsContact O-CA 3.29Å; S157-I164 WeakPolarHBondContact O-CA 3.18Å; S157-I164 WeakPolarHBondContact O-CG2 3.3Å; I164-T177 CarbonylContact O-C 3.52Å; I164-T177 WeakPolarHBondContact O-CA 3.34Å; I164-F178 HydrophobicContact CB-CB 4.2Å; I164-F178 HydrophobicContact CB-CD2 4.46Å; I164-F178 HydrophobicContact CD1-CB 4.21Å; I164-F178 PolarHBondContact N-O 3.03Å; I164-F178 PolarHBondContact O-N 2.74Å; I164-I185 HydrophobicContact CD1-CD1 3.37Å; I164-I185 HydrophobicContact CG1-CD1 3.53Å; I164-F197 HydrophobicContact CB-CE2 4.11Å; I164-F197 HydrophobicContact CB-CZ 4.24Å; I164-F197 HydrophobicContact CG1-CE2 4.12Å; I164-F197 HydrophobicContact CG2-CD2 4.41Å; I164-F197 HydrophobicContact CG2-CE2 3.61Å; I164-F197 HydrophobicContact CG2-CZ 3.8Å; I164-T199 HydrophobicContact CD1-CG2 3.87Å; I164-T199 HydrophobicContact CG1-CG2 3.53Å; I164-F209 HydrophobicContact CD1-CE2 3.91Å; I164-F209 HydrophobicContact CD1-CZ 4.04Å
165	K	98.7	Very high	95.9	Very high	24 Å²	24	36.2 Å²	36.2	10%	0.104	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.4	176.2	-68.8	178.3	-172.5	-78.5	0	111.3	G138 V156 S157 W167 Q176 T177	G138-K165 WeakPolarHBondContact O-CE 3.33Å; G138-K165 PolarHBondContact O-NZ 2.86Å; V156-K165 CarbonylContact C-O 3.49Å; V156-K165 VanDerWaalsContact CA-O 3.24Å; V156-K165 WeakPolarHBondContact CA-O 3.46Å; S157-K165 PolarHBondContact N-O 3.07Å; S157-K165 PolarHBondContact O-N 3.11Å; K165-W167 HydrophobicContact CB-CZ2 3.62Å; K165-W167 HydrophobicContact CD-CH2 4Å; K165-W167 HydrophobicContact CD-CZ2 3.52Å; K165-W167 HydrophobicContact CG-CZ2 4.18Å; K165-W167 PolarHBondContact O-NE1 2.96Å; K165-Q176 WeakPolarHBondContact CA-O 3.43Å; K165-T177 HydrophobicContact CG-CG2 4.2Å; K165-T177 PolarHBondContact NZ-OG1 3.19Å
166	L	98.6	Very high	95.9	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	170.2	179.5	74.6	0	0	0	109.2	V156 R175 Q176 F178 F190 L211	V156-L166 HydrophobicContact CG1-CB 4.44Å; V156-L166 HydrophobicContact CG1-CD1 3.69Å; L166-R175 HydrophobicContact CD2-CB 4.08Å; L166-R175 HydrophobicContact CG-CB 4.38Å; L166-R175 PolarHBondContact O-N 3.12Å; L166-Q176 HydrophobicContact CB-CB 4.19Å; L166-Q176 PolarHBondContact N-O 2.95Å; L166-F178 HydrophobicContact CB-CE2 4.22Å; L166-F190 HydrophobicContact CD1-CZ 4.16Å; L166-L211 HydrophobicContact CD1-CD1 4.33Å; L166-L211 HydrophobicContact CD1-CD2 4.2Å; L166-L211 HydrophobicContact CD2-CD1 4.3Å; L166-L211 HydrophobicContact CD2-CD2 4.08Å
167	W	98.3	Very high	95.9	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.9	-178.4	-51.7	93.1	0	0	0	110.5	F136 T154 F155 S157 K165 C174	F136-W167 HydrophobicContact CB-CD2 4.03Å; F136-W167 HydrophobicContact CB-CE3 3.82Å; F136-W167 HydrophobicContact CB-CH2 4.3Å; F136-W167 HydrophobicContact CB-CZ2 4.49Å; F136-W167 HydrophobicContact CB-CZ3 3.95Å; F136-W167 HydrophobicContact CD1-CB 4.18Å; F136-W167 HydrophobicContact CD1-CD2 4.25Å; F136-W167 AromaticContact CD1-CE3 3.89Å; F136-W167 HydrophobicContact CD1-CE3 3.89Å; F136-W167 HydrophobicContact CD1-CG 4.39Å; F136-W167 HydrophobicContact CE1-CB 4.46Å; F136-W167 HydrophobicContact CG-CD2 4.44Å; F136-W167 HydrophobicContact CG-CE3 4.28Å; T154-W167 CarbonylContact C-O 3.57Å; T154-W167 WeakPolarHBondContact CA-O 3.33Å; T154-W167 WeakPolarHBondContact CB-O 3.27Å; F155-W167 HydrophobicContact CD1-CB 3.8Å; F155-W167 HydrophobicContact CD2-CB 4.5Å; F155-W167 AromaticContact CD2-CD1 3.81Å; F155-W167 HydrophobicContact CD2-CG 4.47Å; F155-W167 HydrophobicContact CE1-CB 3.35Å; F155-W167 AromaticContact CE1-CG 3.91Å; F155-W167 HydrophobicContact CE1-CG 3.91Å; F155-W167 HydrophobicContact CE2-CB 4.12Å; F155-W167 AromaticContact CE2-CD1 3.28Å; F155-W167 AromaticContact CE2-CG 3.83Å; F155-W167 HydrophobicContact CE2-CG 3.83Å; F155-W167 AromaticContact CE2-NE1 3.96Å; F155-W167 HydrophobicContact CG-CB 4.35Å; F155-W167 HydrophobicContact CZ-CB 3.52Å; F155-W167 AromaticContact CZ-CD1 3.48Å; F155-W167 VanDerWaalsContact CZ-CD1 3.48Å; F155-W167 HydrophobicContact CZ-CD2 4.37Å; F155-W167 AromaticContact CZ-CG 3.51Å; F155-W167 HydrophobicContact CZ-CG 3.51Å; F155-W167 PolarHBondContact N-O 2.97Å; F155-W167 PolarHBondContact O-N 2.89Å; S157-W167 PolarHBondContact OG-NE1 2.84Å; K165-W167 HydrophobicContact CB-CZ2 3.62Å; K165-W167 HydrophobicContact CD-CH2 4Å; K165-W167 HydrophobicContact CD-CZ2 3.52Å; K165-W167 HydrophobicContact CG-CZ2 4.18Å; K165-W167 PolarHBondContact O-NE1 2.96Å; W167-C174 HydrophobicContact CD2-CB 4.49Å; W167-C174 HydrophobicContact CE3-CB 3.82Å; W167-C174 HydrophobicContact CH2-CB 3.93Å; W167-C174 HydrophobicContact CZ3-CB 3.52Å
168	D	95.7	Very high	95.9	Very high	31 Å²	31	41.6 Å²	41.6	17%	0.166	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.4	163.6	-167.8	-43.2	0	0	0	108.5	F136 R170 R175	F136-D168 VanDerWaalsContact CE1-O 3.27Å; F136-D168 WeakPolarHBondContact CE1-O 3.47Å; D168-R170 PolarHBondContact O-N 2.84Å; D168-R170 PolarHBondContact OD1-N 2.96Å; D168-R175 HydrophobicContact CB-CG 4.43Å; D168-R175 IonicContact OD2-CZ 3.4Å; D168-R175 IonicContact OD2-NE 2.69Å; D168-R175 IonicContact OD2-NH2 3.6Å; D168-R175 PolarHBondContact OD2-NH2 2.92Å
169	V	94.6	Very high	95.8	Very high	9 Å²	9	48 Å²	48	6%	0.055	24%	0.244	C	C	.	.	S	Bend	trans	-68	-28.5	-177.9	171.7	0	0	0	0	111.6	L108 I114 L124 R153 F155	L108-V169 HydrophobicContact CD1-CG1 3.58Å; I114-V169 HydrophobicContact CD1-CG1 4.43Å; I114-V169 HydrophobicContact CD1-CG2 3.87Å; L124-V169 HydrophobicContact CD1-CG1 4.38Å; L124-V169 HydrophobicContact CD2-CG1 4Å; R153-V169 WeakPolarHBondContact O-CB 3.4Å; R153-V169 WeakPolarHBondContact O-CG2 3.47Å; R153-V169 PolarHBondContact O-N 3.07Å; F155-V169 HydrophobicContact CD1-CG2 3.96Å
170	R	89.2	Confident	95.7	Very high	182 Å²	182	49.5 Å²	49.5	69%	0.687	26%	0.259	S	S	*	.	S	Bend	trans	-85.9	-18.6	-170.8	-58.1	-179.2	-165.3	178.8	2.9	113.9	D168	D168-R170 PolarHBondContact O-N 2.84Å; D168-R170 PolarHBondContact OD1-N 2.96Å
171	D	85.8	Confident	95.7	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	25%	0.251	S	S	.	.	S	Bend	trans	-134.7	157.9	178.9	66.9	34.8	0	0	0	111.3	F136 M173 R175	F136-D171 VanDerWaalsContact CE1-O 3.31Å; F136-D171 WeakPolarHBondContact CE1-O 3.42Å; D171-M173 PolarHBondContact O-N 2.88Å; D171-M173 WeakPolarHBondContact OD1-CB 3.28Å; D171-M173 PolarHBondContact OD1-N 3.33Å; D171-R175 IonicContact OD1-CZ 3.44Å; D171-R175 IonicContact OD1-NH2 3.07Å; D171-R175 IonicContact OD2-CZ 3.57Å; D171-R175 IonicContact OD2-NH1 3.43Å; D171-R175 IonicContact OD2-NH2 2.73Å; D171-R175 PolarHBondContact OD2-NH2 2.88Å
172	S	85.6	Confident	95.7	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	28%	0.279	S	S	.	.	S	Bend	trans	-76.9	17.3	-174.3	63.1	0	0	0	0	113.7	G135	G135-S172 VanDerWaalsContact O-CB 3.24Å; G135-S172 WeakPolarHBondContact O-CB 3.18Å
173	M	88	Confident	95.7	Very high	113 Å²	113	56 Å²	56	56%	0.557	29%	0.286	S	S	*	.			trans	-103.3	129.5	-165.7	-63.8	-66.6	173.9	0	0	112.7	D171 R175	D171-M173 PolarHBondContact O-N 2.88Å; D171-M173 WeakPolarHBondContact OD1-CB 3.28Å; D171-M173 PolarHBondContact OD1-N 3.33Å; M173-R175 PolarHBondContact O-N 2.76Å
174	C	96.6	Very high	95.7	Very high	48 Å²	48	58 Å²	58	32%	0.324	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.8	165.8	-176.5	0	0	0	0	109	W167 Q176	W167-C174 HydrophobicContact CD2-CB 4.49Å; W167-C174 HydrophobicContact CE3-CB 3.82Å; W167-C174 HydrophobicContact CH2-CB 3.93Å; W167-C174 HydrophobicContact CZ3-CB 3.52Å; C174-Q176 PolarHBondContact SG-O 3.18Å
175	R	97.2	Very high	95.7	Very high	124 Å²	124	58 Å²	58	47%	0.468	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-43.2	178.4	-61.5	-60.2	-167.6	-162.7	-5.4	112	L166 D168 D171 M173	L166-R175 HydrophobicContact CD2-CB 4.08Å; L166-R175 HydrophobicContact CG-CB 4.38Å; L166-R175 PolarHBondContact O-N 3.12Å; D168-R175 HydrophobicContact CB-CG 4.43Å; D168-R175 IonicContact OD2-CZ 3.4Å; D168-R175 IonicContact OD2-NE 2.69Å; D168-R175 IonicContact OD2-NH2 3.6Å; D168-R175 PolarHBondContact OD2-NH2 2.92Å; D171-R175 IonicContact OD1-CZ 3.44Å; D171-R175 IonicContact OD1-NH2 3.07Å; D171-R175 IonicContact OD2-CZ 3.57Å; D171-R175 IonicContact OD2-NH1 3.43Å; D171-R175 IonicContact OD2-NH2 2.73Å; D171-R175 PolarHBondContact OD2-NH2 2.88Å; M173-R175 PolarHBondContact O-N 2.76Å
176	Q	98.1	Very high	95.7	Very high	46 Å²	46	58.1 Å²	58.1	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.4	-177	-69.7	174.5	-60.2	0	0	110.3	K165 L166 C174 F178 L211 D214	K165-Q176 WeakPolarHBondContact CA-O 3.43Å; L166-Q176 HydrophobicContact CB-CB 4.19Å; L166-Q176 PolarHBondContact N-O 2.95Å; C174-Q176 PolarHBondContact SG-O 3.18Å; Q176-F178 HydrophobicContact CB-CD2 4.46Å; Q176-F178 HydrophobicContact CB-CE2 3.68Å; Q176-F178 HydrophobicContact CB-CZ 3.91Å; Q176-L211 PolarHBondContact NE2-O 2.9Å; Q176-L211 PolarHBondContact OE1-O 3.3Å; Q176-D214 VanDerWaalsContact CD-OD1 3.29Å; Q176-D214 WeakPolarHBondContact CG-OD1 3.4Å; Q176-D214 PolarHBondContact NE2-OD1 2.85Å
177	T	98.5	Very high	95.7	Very high	62 Å²	62	57.9 Å²	57.9	38%	0.38	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.8	171.2	-63	0	0	0	0	108.4	I164 K165	I164-T177 CarbonylContact O-C 3.52Å; I164-T177 WeakPolarHBondContact O-CA 3.34Å; K165-T177 HydrophobicContact CG-CG2 4.2Å; K165-T177 PolarHBondContact NZ-OG1 3.19Å
178	F	98.7	Very high	95.7	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136	178.4	-53.5	-98.7	0	0	0	109	S163 I164 L166 Q176 F197 F209 L211	S163-F178 WeakPolarHBondContact CA-O 3.5Å; I164-F178 HydrophobicContact CB-CB 4.2Å; I164-F178 HydrophobicContact CB-CD2 4.46Å; I164-F178 HydrophobicContact CD1-CB 4.21Å; I164-F178 PolarHBondContact N-O 3.03Å; I164-F178 PolarHBondContact O-N 2.74Å; L166-F178 HydrophobicContact CB-CE2 4.22Å; Q176-F178 HydrophobicContact CB-CD2 4.46Å; Q176-F178 HydrophobicContact CB-CE2 3.68Å; Q176-F178 HydrophobicContact CB-CZ 3.91Å; F178-F197 HydrophobicContact CB-CZ 4.34Å; F178-F197 HydrophobicContact CD1-CE1 4.49Å; F178-F197 HydrophobicContact CD1-CZ 4.18Å; F178-F197 AromaticContact CD2-CE1 3.93Å; F178-F197 HydrophobicContact CD2-CE1 3.93Å; F178-F197 AromaticContact CD2-CZ 3.56Å; F178-F197 HydrophobicContact CD2-CZ 3.56Å; F178-F197 HydrophobicContact CE1-CE1 4.25Å; F178-F197 HydrophobicContact CE1-CZ 4.39Å; F178-F197 AromaticContact CE2-CE1 3.69Å; F178-F197 HydrophobicContact CE2-CE1 3.69Å; F178-F197 AromaticContact CE2-CZ 3.84Å; F178-F197 HydrophobicContact CE2-CZ 3.84Å; F178-F197 HydrophobicContact CG-CE1 4.35Å; F178-F197 AromaticContact CG-CZ 3.77Å; F178-F197 HydrophobicContact CG-CZ 3.77Å; F178-F197 AromaticContact CZ-CE1 3.87Å; F178-F197 HydrophobicContact CZ-CE1 3.87Å; F178-F197 HydrophobicContact CZ-CZ 4.26Å; F178-F209 HydrophobicContact CB-CD1 3.93Å; F178-F209 HydrophobicContact CB-CE1 4.02Å; F178-F209 HydrophobicContact CD1-CB 4.22Å; F178-F209 AromaticContact CD1-CD1 3.82Å; F178-F209 HydrophobicContact CD1-CD1 3.82Å; F178-F209 HydrophobicContact CD1-CG 4.32Å; F178-F209 HydrophobicContact CE1-CB 4.5Å; F178-F209 HydrophobicContact CG-CD1 4.2Å; F178-L211 HydrophobicContact CE2-CD2 4.13Å; F178-L211 HydrophobicContact CZ-CD2 3.69Å
179	I	97.9	Very high	95.9	Very high	136 Å²	136	57.3 Å²	57.3	70%	0.697	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.4	176.1	58	171.9	0	0	0	108.8
180	G	96.8	Very high	96.1	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	30%	0.297	S	S	.	.			trans	165.6	-41.4	174.5	0	0	0	0	0	112.4	R207	G180-R207 VanDerWaalsContact CA-NH1 3.29Å; G180-R207 PolarHBondContact O-NH1 2.87Å; G180-R207 PolarHBondContact O-NH2 2.92Å
181	H	98.4	Very high	96.5	Very high	14 Å²	14	51 Å²	51	7%	0.065	27%	0.273	C	S	.	.			trans	-62.1	151.7	178.1	-79.8	-66	0	0	0	112.5	A162 I185 T199 S201 D203 T205 R207	A162-H181 HydrophobicContact CB-CB 4.42Å; H181-I185 HydrophobicContact CB-CD1 4.31Å; H181-I185 HydrophobicContact CB-CG1 4.19Å; H181-T199 WeakPolarHBondContact NE2-CB 3.44Å; H181-T199 PolarHBondContact NE2-OG1 3.21Å; H181-S201 VanDerWaalsContact CE1-CB 3.47Å; H181-S201 WeakPolarHBondContact CE1-CB 3.44Å; H181-S201 WeakPolarHBondContact ND1-CB 3.03Å; H181-D203 WeakPolarHBondContact CA-OD2 3.31Å; H181-D203 IonicContact CE1-OD1 3.66Å; H181-D203 IonicContact CE1-OD2 2.71Å; H181-D203 IonicContact CG-OD2 3.59Å; H181-D203 IonicContact ND1-OD1 3.36Å; H181-D203 PolarHBondContact ND1-OD1 2.86Å; H181-D203 IonicContact ND1-OD2 2.83Å; H181-D203 PolarHBondContact ND1-OD2 2.98Å; H181-T205 PolarHBondContact CE1-O 2.73Å; H181-T205 PolarHBondContact CE1-OG1 2.92Å; H181-T205 PolarHBondContact ND1-OG1 2.71Å; H181-R207 VanDerWaalsContact CE1-CD 3.5Å; H181-R207 WeakPolarHBondContact CE1-CD 3.38Å
182	E	98	Very high	97	Very high	172 Å²	172	50.4 Å²	50.4	80%	0.804	27%	0.272	S	S	*	.	S	Bend	trans	-98.7	-8.4	179.8	-61	-174.6	177.6	0	0	112.6	D203	E182-D203 HydrophobicContact CB-CB 4.14Å; E182-D203 PolarHBondContact N-OD2 3.47Å
183	S	98.4	Very high	97.5	Very high	43 Å²	43	51.5 Å²	51.5	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-149.6	-171.3	-177.5	-162	0	0	0	0	111.4	A162 S201	A162-S183 WeakPolarHBondContact CB-O 3.48Å; S183-S201 PolarHBondContact O-OG 2.96Å
184	D	98.6	Very high	97.9	Very high	54 Å²	54	46.8 Å²	46.8	29%	0.289	25%	0.254	S	S	.	.			trans	-59.4	140	-172.5	-64.2	5.8	0	0	0	111.3	C160 S201 D202	C160-D184 HydrophobicContact CB-CB 4.33Å; C160-D184 VanDerWaalsContact SG-CG 3.58Å; C160-D184 PolarHBondContact SG-OD2 3.24Å; D184-S201 CarbonylContact O-C 3.57Å; D184-S201 WeakPolarHBondContact O-CA 3.28Å; D184-S201 VanDerWaalsContact O-CB 3.25Å; D184-S201 WeakPolarHBondContact O-CB 3.1Å; D184-S201 PolarHBondContact O-OG 2.52Å; D184-D202 PolarHBondContact O-N 3.46Å
185	I	98.8	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	102.1	178.3	-57.3	179.2	0	0	0	108.6	M144 A159 I164 H181 V188 T199	M144-I185 WeakPolarHBondContact CB-O 3.15Å; A159-I185 PolarHBondContact O-N 3.25Å; A159-I185 VanDerWaalsContact O-N 3.12Å; I164-I185 HydrophobicContact CD1-CD1 3.37Å; I164-I185 HydrophobicContact CG1-CD1 3.53Å; H181-I185 HydrophobicContact CB-CD1 4.31Å; H181-I185 HydrophobicContact CB-CG1 4.19Å; I185-V188 HydrophobicContact CG2-CG1 3.93Å; I185-T199 HydrophobicContact CG2-CG2 4.15Å
186	N	98.7	Very high	98	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-30.1	-175.9	-65.3	-44.7	0	0	0	113.5	S145 G200 D202 I229	S145-N186 VanDerWaalsContact CB-O 3.3Å; S145-N186 WeakPolarHBondContact CB-O 3.32Å; N186-G200 PolarHBondContact N-O 2.85Å; N186-D202 VanDerWaalsContact ND2-CG 3.33Å; N186-D202 PolarHBondContact ND2-OD1 3.37Å; N186-I229 VanDerWaalsContact CB-O 3.26Å; N186-I229 WeakPolarHBondContact CB-O 3.45Å; N186-I229 PolarHBondContact ND2-O 2.78Å
187	A	98.6	Very high	98	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.7	-172	0	0	0	0	0	112.4	T199 G200 V232	A187-T199 CarbonylContact O-C 3.51Å; A187-T199 VanDerWaalsContact O-CA 3.26Å; A187-T199 WeakPolarHBondContact O-CA 3.46Å; A187-G200 PolarHBondContact N-O 3.12Å; A187-G200 PolarHBondContact O-N 2.55Å; A187-V232 HydrophobicContact CB-CG1 4.47Å; A187-V232 HydrophobicContact CB-CG2 3.84Å
188	V	98.7	Very high	98.1	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.4	173.9	-62.4	0	0	0	0	109.9	V156 I185 T198 T199	V156-V188 HydrophobicContact CG2-CB 4.19Å; V156-V188 HydrophobicContact CG2-CG2 4.14Å; I185-V188 HydrophobicContact CG2-CG1 3.93Å; V188-T198 CarbonylContact C-O 3.55Å; V188-T198 WeakPolarHBondContact CA-O 3.29Å; V188-T199 HydrophobicContact CG1-CG2 3.85Å
189	A	98.6	Very high	98.1	Very high	12 Å²	12	40 Å²	40	10%	0.099	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	130.9	174.3	0	0	0	0	0	111.4	F197 T198 V232	A189-F197 CarbonylContact O-C 3.5Å; A189-F197 WeakPolarHBondContact O-CA 3.22Å; A189-F197 WeakPolarHBondContact O-CB 3.12Å; A189-T198 HydrophobicContact CB-CG2 4.06Å; A189-T198 PolarHBondContact N-O 3.4Å; A189-T198 PolarHBondContact O-N 3.41Å; A189-V232 HydrophobicContact CB-CG2 3.99Å
190	F	98.6	Very high	98.1	Very high	18 Å²	18	33.6 Å²	33.6	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	142.8	172.9	-95.3	-80.7	0	0	0	111.9	S147 L148 A149 V156 L166 A196 F197 L211 F234	S147-F190 WeakPolarHBondContact O-CD2 3.47Å; S147-F190 WeakPolarHBondContact O-CE2 3.45Å; S147-F190 PolarHBondContact OG-N 3.17Å; S147-F190 VanDerWaalsContact OG-N 3.12Å; L148-F190 WeakPolarHBondContact O-CD2 3.39Å; A149-F190 HydrophobicContact CB-CD1 4.4Å; A149-F190 HydrophobicContact CB-CD2 4.31Å; A149-F190 HydrophobicContact CB-CE1 4.02Å; A149-F190 HydrophobicContact CB-CE2 3.91Å; A149-F190 HydrophobicContact CB-CZ 3.75Å; V156-F190 HydrophobicContact CB-CE2 4.16Å; V156-F190 HydrophobicContact CB-CZ 4.46Å; V156-F190 HydrophobicContact CG1-CE1 4.44Å; V156-F190 HydrophobicContact CG1-CE2 3.85Å; V156-F190 HydrophobicContact CG1-CZ 3.66Å; V156-F190 HydrophobicContact CG2-CD2 3.94Å; V156-F190 HydrophobicContact CG2-CE2 3.66Å; V156-F190 HydrophobicContact CG2-CZ 4.28Å; L166-F190 HydrophobicContact CD1-CZ 4.16Å; F190-A196 WeakPolarHBondContact CD1-O 3.44Å; F190-F197 HydrophobicContact CD1-CB 4.35Å; F190-L211 HydrophobicContact CE1-CD1 4.28Å; F190-F234 WeakPolarHBondContact O-CD2 3.41Å
191	F	98.1	Very high	98.2	Very high	39 Å²	39	32.1 Å²	32.1	17%	0.171	17%	0.167	C	C	.	.			trans	-68.8	146.7	165.2	-167.5	-90.7	0	0	0	109.5	N193 G194 A196 F234 G238	F191-N193 HydrophobicContact CD1-CB 4.1Å; F191-N193 VanDerWaalsContact CD1-CG 3.43Å; F191-N193 VanDerWaalsContact CD1-OD1 3.28Å; F191-N193 WeakPolarHBondContact CD1-OD1 3.32Å; F191-N193 HydrophobicContact CE1-CB 4.38Å; F191-N193 PolarHBondContact O-N 2.96Å; F191-G194 PolarHBondContact O-N 3.3Å; F191-A196 HydrophobicContact CB-CB 3.87Å; F191-A196 WeakPolarHBondContact CB-O 3.42Å; F191-A196 HydrophobicContact CG-CB 4.38Å; F191-A196 PolarHBondContact N-O 3.38Å; F191-F234 HydrophobicContact CB-CD2 4.39Å; F191-F234 HydrophobicContact CB-CE2 4.15Å; F191-F234 AromaticContact CD2-CD1 3.92Å; F191-F234 HydrophobicContact CD2-CD1 3.92Å; F191-F234 HydrophobicContact CD2-CD2 4.16Å; F191-F234 AromaticContact CD2-CE1 3.68Å; F191-F234 HydrophobicContact CD2-CE1 3.68Å; F191-F234 AromaticContact CD2-CE2 3.92Å; F191-F234 HydrophobicContact CD2-CE2 3.92Å; F191-F234 HydrophobicContact CD2-CG 4.16Å; F191-F234 AromaticContact CD2-CZ 3.68Å; F191-F234 HydrophobicContact CD2-CZ 3.68Å; F191-F234 HydrophobicContact CE2-CD1 4.15Å; F191-F234 HydrophobicContact CE2-CE1 4.01Å; F191-F234 HydrophobicContact CE2-CZ 4.43Å; F191-G238 VanDerWaalsContact CE2-CA 3.49Å; F191-G238 WeakPolarHBondContact CE2-O 3.5Å
192	P	96.7	Very high	98.2	Very high	41 Å²	41	34.5 Å²	34.5	27%	0.266	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.7	-173.1	-30	35.9	0	0	0	116.8	F234	P192-F234 HydrophobicContact CG-CB 4.22Å
193	N	95.8	Very high	98.2	Very high	84 Å²	84	27.9 Å²	27.9	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.2	177.8	72.7	4.7	0	0	0	114.1	F191 Y195	F191-N193 HydrophobicContact CD1-CB 4.1Å; F191-N193 VanDerWaalsContact CD1-CG 3.43Å; F191-N193 VanDerWaalsContact CD1-OD1 3.28Å; F191-N193 WeakPolarHBondContact CD1-OD1 3.32Å; F191-N193 HydrophobicContact CE1-CB 4.38Å; F191-N193 PolarHBondContact O-N 2.96Å; N193-Y195 VanDerWaalsContact C-N 3.31Å; N193-Y195 HydrophobicContact CB-CD2 4.12Å; N193-Y195 WeakPolarHBondContact O-CD2 3.33Å; N193-Y195 PolarHBondContact O-N 3.06Å; N193-Y195 PolarHBondContact OD1-N 3.39Å
194	G	96.9	Very high	98.2	Very high	15 Å²	15	26.2 Å²	26.2	16%	0.155	14%	0.139	C	C	.	.	S	Bend	trans	77.5	1.4	-179	0	0	0	0	0	116.5	F191	F191-G194 PolarHBondContact O-N 3.3Å
195	Y	97.4	Very high	98.2	Very high	134 Å²	134	24.4 Å²	24.4	53%	0.525	13%	0.13	S	C	.	.	S	Bend	trans	-100.9	-8.5	-178.1	-62.8	-64.3	0	0	0	114.4	N193 L211	N193-Y195 VanDerWaalsContact C-N 3.31Å; N193-Y195 HydrophobicContact CB-CD2 4.12Å; N193-Y195 WeakPolarHBondContact O-CD2 3.33Å; N193-Y195 PolarHBondContact O-N 3.06Å; N193-Y195 PolarHBondContact OD1-N 3.39Å; Y195-L211 WeakPolarHBondContact O-CG 3.26Å; Y195-L211 PolarHBondContact O-N 3.05Å
196	A	98.3	Very high	98.2	Very high	8 Å²	8	24.4 Å²	24.4	7%	0.066	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	164.5	178.1	0	0	0	0	0	109.7	F190 F191 L208 F209	F190-A196 WeakPolarHBondContact CD1-O 3.44Å; F191-A196 HydrophobicContact CB-CB 3.87Å; F191-A196 WeakPolarHBondContact CB-O 3.42Å; F191-A196 HydrophobicContact CG-CB 4.38Å; F191-A196 PolarHBondContact N-O 3.38Å; A196-L208 HydrophobicContact CB-CD1 4.2Å; A196-F209 CarbonylContact C-O 3.59Å; A196-F209 WeakPolarHBondContact CA-O 3.3Å; A196-F209 WeakPolarHBondContact CB-O 3.26Å
197	F	98.7	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.5	173.5	63.1	-91.9	0	0	0	110.2	V156 I164 F178 A189 F190 T199 F209 L211	V156-F197 HydrophobicContact CG1-CD1 3.91Å; V156-F197 HydrophobicContact CG1-CE1 4.11Å; V156-F197 HydrophobicContact CG1-CG 4.24Å; V156-F197 HydrophobicContact CG2-CB 4.36Å; V156-F197 HydrophobicContact CG2-CG 4.34Å; I164-F197 HydrophobicContact CB-CE2 4.11Å; I164-F197 HydrophobicContact CB-CZ 4.24Å; I164-F197 HydrophobicContact CG1-CE2 4.12Å; I164-F197 HydrophobicContact CG2-CD2 4.41Å; I164-F197 HydrophobicContact CG2-CE2 3.61Å; I164-F197 HydrophobicContact CG2-CZ 3.8Å; F178-F197 HydrophobicContact CB-CZ 4.34Å; F178-F197 HydrophobicContact CD1-CE1 4.49Å; F178-F197 HydrophobicContact CD1-CZ 4.18Å; F178-F197 AromaticContact CD2-CE1 3.93Å; F178-F197 HydrophobicContact CD2-CE1 3.93Å; F178-F197 AromaticContact CD2-CZ 3.56Å; F178-F197 HydrophobicContact CD2-CZ 3.56Å; F178-F197 HydrophobicContact CE1-CE1 4.25Å; F178-F197 HydrophobicContact CE1-CZ 4.39Å; F178-F197 AromaticContact CE2-CE1 3.69Å; F178-F197 HydrophobicContact CE2-CE1 3.69Å; F178-F197 AromaticContact CE2-CZ 3.84Å; F178-F197 HydrophobicContact CE2-CZ 3.84Å; F178-F197 HydrophobicContact CG-CE1 4.35Å; F178-F197 AromaticContact CG-CZ 3.77Å; F178-F197 HydrophobicContact CG-CZ 3.77Å; F178-F197 AromaticContact CZ-CE1 3.87Å; F178-F197 HydrophobicContact CZ-CE1 3.87Å; F178-F197 HydrophobicContact CZ-CZ 4.26Å; A189-F197 CarbonylContact O-C 3.5Å; A189-F197 WeakPolarHBondContact O-CA 3.22Å; A189-F197 WeakPolarHBondContact O-CB 3.12Å; F190-F197 HydrophobicContact CD1-CB 4.35Å; F197-T199 HydrophobicContact CD2-CG2 4.1Å; F197-T199 HydrophobicContact CE2-CG2 3.95Å; F197-F209 HydrophobicContact CD1-CB 4.27Å; F197-F209 HydrophobicContact CD2-CB 4.23Å; F197-F209 HydrophobicContact CD2-CD2 4.26Å; F197-F209 HydrophobicContact CE1-CB 3.72Å; F197-F209 HydrophobicContact CE2-CB 3.66Å; F197-F209 AromaticContact CE2-CD2 3.55Å; F197-F209 HydrophobicContact CE2-CD2 3.55Å; F197-F209 HydrophobicContact CE2-CE2 4.44Å; F197-F209 AromaticContact CE2-CG 3.81Å; F197-F209 HydrophobicContact CE2-CG 3.81Å; F197-F209 HydrophobicContact CZ-CB 3.39Å; F197-F209 HydrophobicContact CZ-CD2 4.03Å; F197-F209 AromaticContact CZ-CG 3.79Å; F197-F209 HydrophobicContact CZ-CG 3.79Å; F197-F209 PolarHBondContact N-O 2.9Å; F197-F209 PolarHBondContact O-N 3.39Å; F197-L211 HydrophobicContact CD1-CD2 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.61Å
198	T	98.6	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.8	174.7	-163.1	0	0	0	0	110.6	V188 A189 R207 V232 F234 L241	V188-T198 CarbonylContact C-O 3.55Å; V188-T198 WeakPolarHBondContact CA-O 3.29Å; A189-T198 HydrophobicContact CB-CG2 4.06Å; A189-T198 PolarHBondContact N-O 3.4Å; A189-T198 PolarHBondContact O-N 3.41Å; T198-R207 CarbonylContact C-O 3.58Å; T198-R207 WeakPolarHBondContact CA-O 3.47Å; T198-R207 PolarHBondContact OG1-O 2.88Å; T198-V232 HydrophobicContact CG2-CB 3.97Å; T198-V232 HydrophobicContact CG2-CG2 3.73Å; T198-F234 HydrophobicContact CG2-CD2 4.13Å; T198-F234 HydrophobicContact CG2-CE2 3.43Å; T198-F234 VanDerWaalsContact CG2-CE2 3.43Å; T198-F234 HydrophobicContact CG2-CZ 3.87Å; T198-L241 HydrophobicContact CG2-CD1 3.6Å
199	T	98.8	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.8	175.5	50.9	0	0	0	0	110.4	I164 H181 I185 A187 V188 F197 C206 R207 F209	I164-T199 HydrophobicContact CD1-CG2 3.87Å; I164-T199 HydrophobicContact CG1-CG2 3.53Å; H181-T199 WeakPolarHBondContact NE2-CB 3.44Å; H181-T199 PolarHBondContact NE2-OG1 3.21Å; I185-T199 HydrophobicContact CG2-CG2 4.15Å; A187-T199 CarbonylContact O-C 3.51Å; A187-T199 VanDerWaalsContact O-CA 3.26Å; A187-T199 WeakPolarHBondContact O-CA 3.46Å; V188-T199 HydrophobicContact CG1-CG2 3.85Å; F197-T199 HydrophobicContact CD2-CG2 4.1Å; F197-T199 HydrophobicContact CE2-CG2 3.95Å; T199-C206 WeakPolarHBondContact O-CA 3.28Å; T199-C206 VanDerWaalsContact O-CB 3.26Å; T199-C206 WeakPolarHBondContact O-CB 3.3Å; T199-R207 PolarHBondContact N-O 2.78Å; T199-R207 PolarHBondContact O-N 3.07Å; T199-R207 PolarHBondContact OG1-O 3.5Å; T199-F209 HydrophobicContact CG2-CD2 4.34Å; T199-F209 HydrophobicContact CG2-CE2 4.18Å
200	G	98.7	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.4	167.3	0	0	0	0	0	109.8	N186 A187	N186-G200 PolarHBondContact N-O 2.85Å; A187-G200 PolarHBondContact N-O 3.12Å; A187-G200 PolarHBondContact O-N 2.55Å
201	S	98.8	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163.7	-172.1	175.8	0	0	0	0	112.7	H181 S183 D184 D203 A204 T205 I229	H181-S201 VanDerWaalsContact CE1-CB 3.47Å; H181-S201 WeakPolarHBondContact CE1-CB 3.44Å; H181-S201 WeakPolarHBondContact ND1-CB 3.03Å; S183-S201 PolarHBondContact O-OG 2.96Å; D184-S201 CarbonylContact O-C 3.57Å; D184-S201 WeakPolarHBondContact O-CA 3.28Å; D184-S201 VanDerWaalsContact O-CB 3.25Å; D184-S201 WeakPolarHBondContact O-CB 3.1Å; D184-S201 PolarHBondContact O-OG 2.52Å; S201-D203 WeakPolarHBondContact CB-OD1 3.23Å; S201-D203 PolarHBondContact O-N 3.33Å; S201-D203 PolarHBondContact OG-N 2.86Å; S201-A204 PolarHBondContact O-N 3.23Å; S201-T205 PolarHBondContact N-O 3.43Å; S201-I229 PolarHBondContact O-N 3.49Å
202	D	98.6	Very high	98.1	Very high	63 Å²	63	32.2 Å²	32.2	34%	0.337	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.5	168.3	-81.9	-14.8	0	0	0	113.6	D184 N186 A204	D184-D202 PolarHBondContact O-N 3.46Å; N186-D202 VanDerWaalsContact ND2-CG 3.33Å; N186-D202 PolarHBondContact ND2-OD1 3.37Å; D202-A204 PolarHBondContact O-N 3.12Å; D202-A204 VanDerWaalsContact O-N 3.1Å
203	D	98.2	Very high	98.2	Very high	33 Å²	33	32.2 Å²	32.2	18%	0.176	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	8.7	169.8	73	13	0	0	0	114	H181 E182 S201 T205 R207	H181-D203 WeakPolarHBondContact CA-OD2 3.31Å; H181-D203 IonicContact CE1-OD1 3.66Å; H181-D203 IonicContact CE1-OD2 2.71Å; H181-D203 IonicContact CG-OD2 3.59Å; H181-D203 IonicContact ND1-OD1 3.36Å; H181-D203 PolarHBondContact ND1-OD1 2.86Å; H181-D203 IonicContact ND1-OD2 2.83Å; H181-D203 PolarHBondContact ND1-OD2 2.98Å; E182-D203 HydrophobicContact CB-CB 4.14Å; E182-D203 PolarHBondContact N-OD2 3.47Å; S201-D203 WeakPolarHBondContact CB-OD1 3.23Å; S201-D203 PolarHBondContact O-N 3.33Å; S201-D203 PolarHBondContact OG-N 2.86Å; D203-T205 VanDerWaalsContact CG-OG1 3.31Å; D203-T205 PolarHBondContact O-N 3.35Å; D203-T205 WeakPolarHBondContact OD1-CA 3.31Å; D203-T205 VanDerWaalsContact OD1-CB 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.15Å; D203-T205 PolarHBondContact OD1-N 3.21Å; D203-T205 PolarHBondContact OD1-OG1 3.39Å; D203-T205 PolarHBondContact OD2-OG1 3.42Å; D203-R207 IonicContact OD2-NH2 3.6Å
204	A	98.2	Very high	98.3	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	16%	0.16	C	C	.	.	S	Bend	trans	64.2	9.7	-178.1	0	0	0	0	0	115.3	S201 D202 I225 C227	S201-A204 PolarHBondContact O-N 3.23Å; D202-A204 PolarHBondContact O-N 3.12Å; D202-A204 VanDerWaalsContact O-N 3.1Å; A204-I225 HydrophobicContact CB-CG2 4.44Å; A204-I225 WeakPolarHBondContact CB-O 3.15Å; A204-C227 WeakPolarHBondContact CA-O 3.13Å; A204-C227 WeakPolarHBondContact CB-O 3.48Å
205	T	98.4	Very high	98.3	Very high	15 Å²	15	37.4 Å²	37.4	9%	0.092	18%	0.179	C	C	.	.			trans	-107.1	142.2	177.6	76.1	0	0	0	0	112.5	H181 S201 D203 R207 M219 I229	H181-T205 PolarHBondContact CE1-O 2.73Å; H181-T205 PolarHBondContact CE1-OG1 2.92Å; H181-T205 PolarHBondContact ND1-OG1 2.71Å; S201-T205 PolarHBondContact N-O 3.43Å; D203-T205 VanDerWaalsContact CG-OG1 3.31Å; D203-T205 PolarHBondContact O-N 3.35Å; D203-T205 WeakPolarHBondContact OD1-CA 3.31Å; D203-T205 VanDerWaalsContact OD1-CB 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.15Å; D203-T205 PolarHBondContact OD1-N 3.21Å; D203-T205 PolarHBondContact OD1-OG1 3.39Å; D203-T205 PolarHBondContact OD2-OG1 3.42Å; T205-R207 PolarHBondContact OG1-NE 2.81Å; T205-M219 HydrophobicContact CG2-CG 4.28Å; T205-M219 HydrophobicContact CG2-SD 4.01Å; T205-I229 WeakPolarHBondContact O-CD1 3.32Å
206	C	98.7	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	148.5	157.5	-60.9	0	0	0	0	108.7	T199 Y220 I229 L241	T199-C206 WeakPolarHBondContact O-CA 3.28Å; T199-C206 VanDerWaalsContact O-CB 3.26Å; T199-C206 WeakPolarHBondContact O-CB 3.3Å; C206-Y220 HydrophobicContact CB-CD2 3.78Å; C206-Y220 HydrophobicContact CB-CG 4.34Å; C206-Y220 PolarHBondContact N-O 3.16Å; C206-Y220 WeakPolarHBondContact O-CD2 3.47Å; C206-Y220 PolarHBondContact O-N 2.71Å; C206-I229 HydrophobicContact CB-CD1 4.5Å; C206-I229 WeakPolarHBondContact SG-CD1 3.15Å; C206-L241 HydrophobicContact CB-CD2 4.09Å
207	R	98.7	Very high	98.3	Very high	17 Å²	17	37.7 Å²	37.7	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.2	175.2	-67.5	174	-173.6	-143.8	16.2	110.8	G180 H181 T198 T199 D203 T205 F209 E216 L218 M219	G180-R207 VanDerWaalsContact CA-NH1 3.29Å; G180-R207 PolarHBondContact O-NH1 2.87Å; G180-R207 PolarHBondContact O-NH2 2.92Å; H181-R207 VanDerWaalsContact CE1-CD 3.5Å; H181-R207 WeakPolarHBondContact CE1-CD 3.38Å; T198-R207 CarbonylContact C-O 3.58Å; T198-R207 WeakPolarHBondContact CA-O 3.47Å; T198-R207 PolarHBondContact OG1-O 2.88Å; T199-R207 PolarHBondContact N-O 2.78Å; T199-R207 PolarHBondContact O-N 3.07Å; T199-R207 PolarHBondContact OG1-O 3.5Å; D203-R207 IonicContact OD2-NH2 3.6Å; T205-R207 PolarHBondContact OG1-NE 2.81Å; R207-F209 HydrophobicContact CB-CD2 4.24Å; R207-F209 HydrophobicContact CB-CE2 3.52Å; R207-F209 HydrophobicContact CB-CZ 4.03Å; R207-E216 HydrophobicContact CB-CG 4.26Å; R207-E216 VanDerWaalsContact CD-OE2 3.26Å; R207-E216 WeakPolarHBondContact CD-OE2 3.28Å; R207-E216 HydrophobicContact CG-CG 4.47Å; R207-E216 IonicContact CZ-OE2 3.69Å; R207-E216 IonicContact NE-OE2 3.89Å; R207-E216 IonicContact NH1-OE2 3.54Å; R207-E216 PolarHBondContact NH1-OE2 2.76Å; R207-L218 CarbonylContact C-O 3.58Å; R207-L218 WeakPolarHBondContact CA-O 3.32Å; R207-M219 HydrophobicContact CG-CG 4.33Å; R207-M219 VanDerWaalsContact CZ-CE 3.48Å
208	L	98.7	Very high	98.2	Very high	17 Å²	17	40 Å²	40	9%	0.089	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127	173.2	179.4	71.7	0	0	0	108.9	A196 E216 L217 L218 Y220 F234	A196-L208 HydrophobicContact CB-CD1 4.2Å; L208-E216 CarbonylContact O-C 3.59Å; L208-E216 WeakPolarHBondContact O-CA 3.38Å; L208-L217 HydrophobicContact CD2-CB 4.28Å; L208-L217 HydrophobicContact CD2-CD1 4.29Å; L208-L217 HydrophobicContact CG-CB 4.42Å; L208-L217 PolarHBondContact O-N 3.07Å; L208-L218 HydrophobicContact CB-CB 4.3Å; L208-L218 PolarHBondContact N-O 2.83Å; L208-L218 PolarHBondContact O-N 2.78Å; L208-Y220 HydrophobicContact CB-CE2 4.03Å; L208-F234 HydrophobicContact CD1-CZ 3.89Å
209	F	98.7	Very high	98.2	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.1	176.9	-66.3	-91.8	0	0	0	110.5	I164 F178 A196 F197 T199 R207 E216	I164-F209 HydrophobicContact CD1-CE2 3.91Å; I164-F209 HydrophobicContact CD1-CZ 4.04Å; F178-F209 HydrophobicContact CB-CD1 3.93Å; F178-F209 HydrophobicContact CB-CE1 4.02Å; F178-F209 HydrophobicContact CD1-CB 4.22Å; F178-F209 AromaticContact CD1-CD1 3.82Å; F178-F209 HydrophobicContact CD1-CD1 3.82Å; F178-F209 HydrophobicContact CD1-CG 4.32Å; F178-F209 HydrophobicContact CE1-CB 4.5Å; F178-F209 HydrophobicContact CG-CD1 4.2Å; A196-F209 CarbonylContact C-O 3.59Å; A196-F209 WeakPolarHBondContact CA-O 3.3Å; A196-F209 WeakPolarHBondContact CB-O 3.26Å; F197-F209 HydrophobicContact CD1-CB 4.27Å; F197-F209 HydrophobicContact CD2-CB 4.23Å; F197-F209 HydrophobicContact CD2-CD2 4.26Å; F197-F209 HydrophobicContact CE1-CB 3.72Å; F197-F209 HydrophobicContact CE2-CB 3.66Å; F197-F209 AromaticContact CE2-CD2 3.55Å; F197-F209 HydrophobicContact CE2-CD2 3.55Å; F197-F209 HydrophobicContact CE2-CE2 4.44Å; F197-F209 AromaticContact CE2-CG 3.81Å; F197-F209 HydrophobicContact CE2-CG 3.81Å; F197-F209 HydrophobicContact CZ-CB 3.39Å; F197-F209 HydrophobicContact CZ-CD2 4.03Å; F197-F209 AromaticContact CZ-CG 3.79Å; F197-F209 HydrophobicContact CZ-CG 3.79Å; F197-F209 PolarHBondContact N-O 2.9Å; F197-F209 PolarHBondContact O-N 3.39Å; T199-F209 HydrophobicContact CG2-CD2 4.34Å; T199-F209 HydrophobicContact CG2-CE2 4.18Å; R207-F209 HydrophobicContact CB-CD2 4.24Å; R207-F209 HydrophobicContact CB-CE2 3.52Å; R207-F209 HydrophobicContact CB-CZ 4.03Å; F209-E216 HydrophobicContact CD1-CB 3.98Å; F209-E216 HydrophobicContact CE1-CB 3.69Å; F209-E216 HydrophobicContact CE1-CG 4.4Å; F209-E216 HydrophobicContact CZ-CB 4.27Å
210	D	98.4	Very high	98.2	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.107	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.2	173.1	177.9	-71.8	0	0	0	110.7	R212 A213 D214 Q215 L217	D210-R212 VanDerWaalsContact C-N 3.34Å; D210-R212 PolarHBondContact O-N 2.85Å; D210-R212 WeakPolarHBondContact OD1-CA 3.49Å; D210-R212 WeakPolarHBondContact OD1-CB 3.2Å; D210-R212 PolarHBondContact OD1-N 2.83Å; D210-R212 IonicContact OD2-NH2 2.86Å; D210-A213 HydrophobicContact CB-CB 4.01Å; D210-A213 PolarHBondContact OD1-N 3.01Å; D210-D214 PolarHBondContact O-N 2.93Å; D210-Q215 PolarHBondContact N-O 3.21Å; D210-L217 HydrophobicContact CB-CD1 3.59Å; D210-L217 HydrophobicContact CB-CD2 4.13Å; D210-L217 HydrophobicContact CB-CG 3.84Å
211	L	97.9	Very high	98	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.12	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.8	-174.4	-61	-173.8	0	0	0	113	L166 Q176 F178 F190 Y195 F197	L166-L211 HydrophobicContact CD1-CD1 4.33Å; L166-L211 HydrophobicContact CD1-CD2 4.2Å; L166-L211 HydrophobicContact CD2-CD1 4.3Å; L166-L211 HydrophobicContact CD2-CD2 4.08Å; Q176-L211 PolarHBondContact NE2-O 2.9Å; Q176-L211 PolarHBondContact OE1-O 3.3Å; F178-L211 HydrophobicContact CE2-CD2 4.13Å; F178-L211 HydrophobicContact CZ-CD2 3.69Å; F190-L211 HydrophobicContact CE1-CD1 4.28Å; Y195-L211 WeakPolarHBondContact O-CG 3.26Å; Y195-L211 PolarHBondContact O-N 3.05Å; F197-L211 HydrophobicContact CD1-CD2 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.61Å
212	R	97.6	Very high	97.8	Very high	196 Å²	196	49.8 Å²	49.8	74%	0.74	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-33.3	-178.1	-59.2	174.8	-64.1	165.2	2.9	111.3	D210 D214	D210-R212 VanDerWaalsContact C-N 3.34Å; D210-R212 PolarHBondContact O-N 2.85Å; D210-R212 WeakPolarHBondContact OD1-CA 3.49Å; D210-R212 WeakPolarHBondContact OD1-CB 3.2Å; D210-R212 PolarHBondContact OD1-N 2.83Å; D210-R212 IonicContact OD2-NH2 2.86Å; R212-D214 VanDerWaalsContact C-N 3.29Å
213	A	97.7	Very high	97.4	Very high	41 Å²	41	54 Å²	54	34%	0.339	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.9	174.6	0	0	0	0	0	112.4	D210 Q215 L217	D210-A213 HydrophobicContact CB-CB 4.01Å; D210-A213 PolarHBondContact OD1-N 3.01Å; A213-Q215 HydrophobicContact CB-CG 3.96Å; A213-Q215 PolarHBondContact O-N 3.13Å; A213-L217 HydrophobicContact CB-CD2 4.3Å
214	D	97.7	Very high	97.1	Very high	87 Å²	87	59 Å²	59	47%	0.465	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	30.3	-178.4	-158.3	46	0	0	0	113.3	Q176 D210 R212	Q176-D214 VanDerWaalsContact CD-OD1 3.29Å; Q176-D214 WeakPolarHBondContact CG-OD1 3.4Å; Q176-D214 PolarHBondContact NE2-OD1 2.85Å; D210-D214 PolarHBondContact O-N 2.93Å; R212-D214 VanDerWaalsContact C-N 3.29Å
215	Q	97	Very high	96.8	Very high	121 Å²	121	59.3 Å²	59.3	57%	0.565	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.8	169	-175.5	67.1	-175.8	-21	0	0	112	D210 A213	D210-Q215 PolarHBondContact N-O 3.21Å; A213-Q215 HydrophobicContact CB-CG 3.96Å; A213-Q215 PolarHBondContact O-N 3.13Å
216	E	97.9	Very high	96.7	Very high	55 Å²	55	66 Å²	66	26%	0.257	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.8	169.7	-175	-175.6	149.3	0	0	110.9	R207 L208 F209 M219	R207-E216 HydrophobicContact CB-CG 4.26Å; R207-E216 VanDerWaalsContact CD-OE2 3.26Å; R207-E216 WeakPolarHBondContact CD-OE2 3.28Å; R207-E216 HydrophobicContact CG-CG 4.47Å; R207-E216 IonicContact CZ-OE2 3.69Å; R207-E216 IonicContact NE-OE2 3.89Å; R207-E216 IonicContact NH1-OE2 3.54Å; R207-E216 PolarHBondContact NH1-OE2 2.76Å; L208-E216 CarbonylContact O-C 3.59Å; L208-E216 WeakPolarHBondContact O-CA 3.38Å; F209-E216 HydrophobicContact CD1-CB 3.98Å; F209-E216 HydrophobicContact CE1-CB 3.69Å; F209-E216 HydrophobicContact CE1-CG 4.4Å; F209-E216 HydrophobicContact CZ-CB 4.27Å; E216-M219 WeakPolarHBondContact OE1-CB 3.17Å
217	L	97.7	Very high	96.5	Very high	93 Å²	93	67.3 Å²	67.3	49%	0.487	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-39	173.4	-64.2	-170.8	0	0	0	112.8	L208 D210 A213	L208-L217 HydrophobicContact CD2-CB 4.28Å; L208-L217 HydrophobicContact CD2-CD1 4.29Å; L208-L217 HydrophobicContact CG-CB 4.42Å; L208-L217 PolarHBondContact O-N 3.07Å; D210-L217 HydrophobicContact CB-CD1 3.59Å; D210-L217 HydrophobicContact CB-CD2 4.13Å; D210-L217 HydrophobicContact CB-CG 3.84Å; A213-L217 HydrophobicContact CB-CD2 4.3Å
218	L	97.9	Very high	96.5	Very high	49 Å²	49	66.9 Å²	66.9	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139.2	-172.9	-168.8	63.4	0	0	0	111.7	R207 L208 Y220 A255	R207-L218 CarbonylContact C-O 3.58Å; R207-L218 WeakPolarHBondContact CA-O 3.32Å; L208-L218 HydrophobicContact CB-CB 4.3Å; L208-L218 PolarHBondContact N-O 2.83Å; L208-L218 PolarHBondContact O-N 2.78Å; L218-Y220 HydrophobicContact CD2-CD1 4.38Å; L218-Y220 HydrophobicContact CD2-CE1 3.58Å; L218-Y220 HydrophobicContact CG-CE1 4.24Å; L218-A255 WeakPolarHBondContact CD2-O 3.45Å
219	M	98	Very high	96.5	Very high	74 Å²	74	66 Å²	66	37%	0.365	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.7	170.5	-171.2	-178.9	-64.5	0	0	110.1	T205 R207 E216	T205-M219 HydrophobicContact CG2-CG 4.28Å; T205-M219 HydrophobicContact CG2-SD 4.01Å; R207-M219 HydrophobicContact CG-CG 4.33Å; R207-M219 VanDerWaalsContact CZ-CE 3.48Å; E216-M219 WeakPolarHBondContact OE1-CB 3.17Å
220	Y	98	Very high	96.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.7	171.5	-45.7	-92.9	0	0	0	108.8	C206 L208 L218 L241 W253 A255	C206-Y220 HydrophobicContact CB-CD2 3.78Å; C206-Y220 HydrophobicContact CB-CG 4.34Å; C206-Y220 PolarHBondContact N-O 3.16Å; C206-Y220 WeakPolarHBondContact O-CD2 3.47Å; C206-Y220 PolarHBondContact O-N 2.71Å; L208-Y220 HydrophobicContact CB-CE2 4.03Å; L218-Y220 HydrophobicContact CD2-CD1 4.38Å; L218-Y220 HydrophobicContact CD2-CE1 3.58Å; L218-Y220 HydrophobicContact CG-CE1 4.24Å; Y220-L241 HydrophobicContact CD1-CD2 4.42Å; Y220-L241 HydrophobicContact CD2-CD2 3.61Å; Y220-L241 HydrophobicContact CE1-CD2 4.35Å; Y220-L241 HydrophobicContact CE2-CD2 3.51Å; Y220-L241 HydrophobicContact CG-CD2 4.08Å; Y220-W253 HydrophobicContact CD1-CB 3.86Å; Y220-W253 HydrophobicContact CD1-CD2 4.41Å; Y220-W253 HydrophobicContact CD1-CE3 4.37Å; Y220-W253 HydrophobicContact CD1-CG 4.23Å; Y220-W253 HydrophobicContact CE1-CB 4.33Å; Y220-W253 HydrophobicContact CG-CB 4.48Å; Y220-W253 HydrophobicContact CG-CG 4.45Å; Y220-A255 VanDerWaalsContact OH-CA 3.3Å; Y220-A255 WeakPolarHBondContact OH-CA 3.43Å; Y220-A255 PolarHBondContact OH-O 2.87Å
221	S	95.9	Very high	96.5	Very high	60 Å²	60	66.4 Å²	66.4	42%	0.42	34%	0.344	S	S	.	.			trans	-146	163.4	-179.9	63	0	0	0	0	110.2
222	H	93.9	Very high	96.5	Very high	71 Å²	71	66 Å²	66	33%	0.329	34%	0.342	S	S	.	.			trans	-150.3	137.6	172.2	-170.8	51.9	0	0	0	109.1	N224 I225 W253	H222-N224 PolarHBondContact NE2-ND2 2.92Å; H222-N224 PolarHBondContact O-N 2.97Å; H222-I225 HydrophobicContact CB-CB 4.48Å; H222-I225 HydrophobicContact CB-CD1 3.79Å; H222-I225 HydrophobicContact CB-CG1 3.98Å; H222-I225 PolarHBondContact O-N 2.8Å; H222-W253 HydrophobicContact CB-CH2 4.07Å
223	D	90.1	Very high	96.5	Very high	153 Å²	153	57.3 Å²	57.3	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.8	-172.4	-56.8	-21.4	0	0	0	114.4
224	N	91.5	Very high	96.6	Very high	136 Å²	136	56.2 Å²	56.2	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.7	178.8	-63	-48.2	0	0	0	113.6	H222	H222-N224 PolarHBondContact NE2-ND2 2.92Å; H222-N224 PolarHBondContact O-N 2.97Å
225	I	93.1	Very high	96.6	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.087	28%	0.283	C	S	.	.			trans	-103.4	104.6	-178.5	-57.5	177.4	0	0	0	107.7	A204 H222 Y245 W253	A204-I225 HydrophobicContact CB-CG2 4.44Å; A204-I225 WeakPolarHBondContact CB-O 3.15Å; H222-I225 HydrophobicContact CB-CB 4.48Å; H222-I225 HydrophobicContact CB-CD1 3.79Å; H222-I225 HydrophobicContact CB-CG1 3.98Å; H222-I225 PolarHBondContact O-N 2.8Å; I225-Y245 HydrophobicContact CG2-CD1 3.69Å; I225-Y245 HydrophobicContact CG2-CE1 3.49Å; I225-Y245 VanDerWaalsContact CG2-CE1 3.49Å; I225-W253 HydrophobicContact CD1-CH2 4.25Å; I225-W253 HydrophobicContact CD1-CZ2 3.98Å
226	I	94.6	Very high	96.5	Very high	156 Å²	156	54.5 Å²	54.5	80%	0.8	28%	0.284	S	S	*	.			trans	-115.5	7.7	179.7	61.1	169.6	0	0	0	112.5
227	C	96.5	Very high	96.5	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.176	30%	0.302	C	S	.	.	S	Bend	trans	-104	150.3	-175.2	65.6	0	0	0	0	110.9	A204 D246	A204-C227 WeakPolarHBondContact CA-O 3.13Å; A204-C227 WeakPolarHBondContact CB-O 3.48Å; C227-D246 HydrophobicContact CB-CB 4.07Å
228	G	97.2	Very high	96.4	Very high	8 Å²	8	51.8 Å²	51.8	8%	0.082	28%	0.28	C	S	.	.			trans	-64.8	152.6	-178.3	0	0	0	0	0	113.2	D246	G228-D246 PolarHBondContact O-N 3.31Å
229	I	98.6	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133	174.5	-64.7	142	0	0	0	108.7	N186 S201 T205 C206 V232 A243 G244 Y245	N186-I229 VanDerWaalsContact CB-O 3.26Å; N186-I229 WeakPolarHBondContact CB-O 3.45Å; N186-I229 PolarHBondContact ND2-O 2.78Å; S201-I229 PolarHBondContact O-N 3.49Å; T205-I229 WeakPolarHBondContact O-CD1 3.32Å; C206-I229 HydrophobicContact CB-CD1 4.5Å; C206-I229 WeakPolarHBondContact SG-CD1 3.15Å; I229-V232 HydrophobicContact CG2-CG1 3.76Å; I229-A243 HydrophobicContact CG2-CB 4.27Å; I229-G244 WeakPolarHBondContact CA-O 3.44Å; I229-Y245 HydrophobicContact CD1-CE1 3.91Å; I229-Y245 HydrophobicContact CG1-CD1 3.67Å; I229-Y245 HydrophobicContact CG1-CE1 3.24Å; I229-Y245 HydrophobicContact CG1-CE2 4.42Å; I229-Y245 HydrophobicContact CG1-CG 4.43Å
230	T	98.6	Very high	96.4	Very high	18 Å²	18	53.9 Å²	53.9	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-28.3	-175.8	63.5	0	0	0	0	113.4	G244 D246 V271	T230-G244 PolarHBondContact N-O 3.05Å; T230-G244 PolarHBondContact OG1-O 2.71Å; T230-D246 WeakPolarHBondContact CG2-OD1 3.27Å; T230-V271 VanDerWaalsContact CB-O 3.28Å; T230-V271 WeakPolarHBondContact CB-O 3.46Å; T230-V271 VanDerWaalsContact CG2-O 3.28Å; T230-V271 WeakPolarHBondContact CG2-O 3.47Å; T230-V271 PolarHBondContact OG1-O 3.39Å
231	S	98.3	Very high	96.5	Very high	11 Å²	11	53.9 Å²	53.9	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	145.1	-169.7	52.4	0	0	0	0	110.5	A243 G244 L274	S231-A243 CarbonylContact O-C 3.56Å; S231-A243 WeakPolarHBondContact O-CA 3.22Å; S231-G244 PolarHBondContact O-N 2.89Å; S231-L274 WeakPolarHBondContact O-CD2 3.25Å; S231-L274 WeakPolarHBondContact OG-CD2 3.17Å
232	V	98.7	Very high	96.6	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.9	-179.3	-64.1	0	0	0	0	110.3	A187 A189 T198 I229 L241 L242 A243	A187-V232 HydrophobicContact CB-CG1 4.47Å; A187-V232 HydrophobicContact CB-CG2 3.84Å; A189-V232 HydrophobicContact CB-CG2 3.99Å; T198-V232 HydrophobicContact CG2-CB 3.97Å; T198-V232 HydrophobicContact CG2-CG2 3.73Å; I229-V232 HydrophobicContact CG2-CG1 3.76Å; V232-L241 HydrophobicContact CB-CD1 4.34Å; V232-L242 CarbonylContact C-O 3.53Å; V232-L242 VanDerWaalsContact CA-O 3.28Å; V232-L242 WeakPolarHBondContact CA-O 3.49Å; V232-A243 HydrophobicContact CG1-CB 4.16Å
233	A	98.4	Very high	96.8	Very high	15 Å²	15	47.8 Å²	47.8	12%	0.124	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150.7	171	0	0	0	0	0	111.7	L242 L274 V276	A233-L242 PolarHBondContact N-O 3.06Å; A233-L242 PolarHBondContact O-N 3.04Å; A233-L274 HydrophobicContact CB-CD1 3.27Å; A233-V276 HydrophobicContact CB-CG2 4Å
234	F	98.4	Very high	97.2	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.075	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.3	171.8	-76.5	-74.4	0	0	0	111.9	F190 F191 P192 T198 L208 L241 A255 V276	F190-F234 WeakPolarHBondContact O-CD2 3.41Å; F191-F234 HydrophobicContact CB-CD2 4.39Å; F191-F234 HydrophobicContact CB-CE2 4.15Å; F191-F234 AromaticContact CD2-CD1 3.92Å; F191-F234 HydrophobicContact CD2-CD1 3.92Å; F191-F234 HydrophobicContact CD2-CD2 4.16Å; F191-F234 AromaticContact CD2-CE1 3.68Å; F191-F234 HydrophobicContact CD2-CE1 3.68Å; F191-F234 AromaticContact CD2-CE2 3.92Å; F191-F234 HydrophobicContact CD2-CE2 3.92Å; F191-F234 HydrophobicContact CD2-CG 4.16Å; F191-F234 AromaticContact CD2-CZ 3.68Å; F191-F234 HydrophobicContact CD2-CZ 3.68Å; F191-F234 HydrophobicContact CE2-CD1 4.15Å; F191-F234 HydrophobicContact CE2-CE1 4.01Å; F191-F234 HydrophobicContact CE2-CZ 4.43Å; P192-F234 HydrophobicContact CG-CB 4.22Å; T198-F234 HydrophobicContact CG2-CD2 4.13Å; T198-F234 HydrophobicContact CG2-CE2 3.43Å; T198-F234 VanDerWaalsContact CG2-CE2 3.43Å; T198-F234 HydrophobicContact CG2-CZ 3.87Å; L208-F234 HydrophobicContact CD1-CZ 3.89Å; F234-L241 HydrophobicContact CD1-CB 4.32Å; F234-L241 HydrophobicContact CE1-CB 4.02Å; F234-L241 HydrophobicContact CE1-CD1 4.26Å; F234-L241 HydrophobicContact CZ-CD1 4.33Å; F234-A255 HydrophobicContact CE1-CB 4.09Å; F234-V276 WeakPolarHBondContact O-CG2 3.33Å
235	S	97.9	Very high	97.5	Very high	17 Å²	17	34 Å²	34	12%	0.119	18%	0.175	C	C	.	.			trans	-61.3	160.6	156.9	58.7	0	0	0	0	111.5	S237 G238 R239 L240	S235-S237 PolarHBondContact O-N 2.81Å; S235-S237 VanDerWaalsContact O-N 3.09Å; S235-G238 WeakPolarHBondContact O-CA 3.44Å; S235-G238 PolarHBondContact O-N 3.23Å; S235-R239 PolarHBondContact OG-N 3Å; S235-L240 PolarHBondContact N-O 2.99Å; S235-L240 WeakPolarHBondContact OG-CB 3.24Å; S235-L240 PolarHBondContact OG-N 2.98Å; S235-L240 PolarHBondContact OG-O 2.59Å
236	R	96.4	Very high	97.8	Very high	155 Å²	155	35.4 Å²	35.4	59%	0.585	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	-177.1	-174.4	57	173.4	118.7	-3.2	114.6	D278	R236-D278 WeakPolarHBondContact CD-O 3.29Å; R236-D278 PolarHBondContact NE-O 3.1Å
237	S	97	Very high	97.9	Very high	90 Å²	90	30.9 Å²	30.9	63%	0.629	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.4	177.2	62.4	0	0	0	0	113.7	S235 R239	S235-S237 PolarHBondContact O-N 2.81Å; S235-S237 VanDerWaalsContact O-N 3.09Å; S237-R239 PolarHBondContact O-N 3.23Å; S237-R239 WeakPolarHBondContact OG-CB 3.31Å; S237-R239 PolarHBondContact OG-N 2.88Å
238	G	96.4	Very high	97.9	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	75.7	-1.3	-170.2	0	0	0	0	0	114.4	F191 S235 A255	F191-G238 VanDerWaalsContact CE2-CA 3.49Å; F191-G238 WeakPolarHBondContact CE2-O 3.5Å; S235-G238 WeakPolarHBondContact O-CA 3.44Å; S235-G238 PolarHBondContact O-N 3.23Å; G238-A255 WeakPolarHBondContact O-CB 3.19Å
239	R	97.4	Very high	97.9	Very high	116 Å²	116	35.6 Å²	35.6	44%	0.438	18%	0.178	S	C	.	.	S	Bend	trans	-69.7	-35.9	-178.7	-179.3	55.3	-178.8	-92.2	-1.8	112.9	S235 S237 D254 A255	S235-R239 PolarHBondContact OG-N 3Å; S237-R239 PolarHBondContact O-N 3.23Å; S237-R239 WeakPolarHBondContact OG-CB 3.31Å; S237-R239 PolarHBondContact OG-N 2.88Å; R239-D254 WeakPolarHBondContact CD-OD1 3.33Å; R239-D254 IonicContact CZ-OD1 2.81Å; R239-D254 IonicContact CZ-OD2 3.88Å; R239-D254 VanDerWaalsContact CZ-OD2 3.32Å; R239-D254 IonicContact NE-OD1 3.53Å; R239-D254 PolarHBondContact NE-OD1 3.4Å; R239-D254 IonicContact NE-OD2 2.99Å; R239-D254 PolarHBondContact NE-OD2 3.1Å; R239-D254 VanDerWaalsContact NE-OD2 3.07Å; R239-D254 IonicContact NH2-OD1 3.95Å; R239-D254 IonicContact NH2-OD2 3.38Å; R239-D254 PolarHBondContact NH2-OD2 2.92Å; R239-A255 WeakPolarHBondContact O-CB 3.36Å; R239-A255 PolarHBondContact O-N 2.96Å
240	L	98.3	Very high	97.9	Very high	51 Å²	51	35.6 Å²	35.6	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.2	176.2	-52.8	177.7	0	0	0	109.8	S235 L242 I252 W253	S235-L240 PolarHBondContact N-O 2.99Å; S235-L240 WeakPolarHBondContact OG-CB 3.24Å; S235-L240 PolarHBondContact OG-N 2.98Å; S235-L240 PolarHBondContact OG-O 2.59Å; L240-L242 HydrophobicContact CB-CD1 4.44Å; L240-I252 HydrophobicContact CB-CG2 4.01Å; L240-I252 HydrophobicContact CD1-CG2 4.16Å; L240-I252 HydrophobicContact CD2-CG2 3.98Å; L240-I252 HydrophobicContact CG-CG2 4.27Å; L240-W253 WeakPolarHBondContact CA-O 3.24Å
241	L	98.5	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124	165.1	167	62.5	0	0	0	108	T198 C206 Y220 V232 F234 I252 W253	T198-L241 HydrophobicContact CG2-CD1 3.6Å; C206-L241 HydrophobicContact CB-CD2 4.09Å; Y220-L241 HydrophobicContact CD1-CD2 4.42Å; Y220-L241 HydrophobicContact CD2-CD2 3.61Å; Y220-L241 HydrophobicContact CE1-CD2 4.35Å; Y220-L241 HydrophobicContact CE2-CD2 3.51Å; Y220-L241 HydrophobicContact CG-CD2 4.08Å; V232-L241 HydrophobicContact CB-CD1 4.34Å; F234-L241 HydrophobicContact CD1-CB 4.32Å; F234-L241 HydrophobicContact CE1-CB 4.02Å; F234-L241 HydrophobicContact CE1-CD1 4.26Å; F234-L241 HydrophobicContact CZ-CD1 4.33Å; L241-I252 CarbonylContact O-C 3.52Å; L241-I252 WeakPolarHBondContact O-CA 3.12Å; L241-W253 HydrophobicContact CB-CB 4.16Å; L241-W253 HydrophobicContact CG-CB 4.5Å; L241-W253 PolarHBondContact N-O 2.94Å; L241-W253 PolarHBondContact O-N 3.47Å
242	L	98.7	Very high	97.9	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130	175.2	-62.3	94.9	0	0	0	108.7	V232 A233 L240 I252 L264 L274 V276 V283	V232-L242 CarbonylContact C-O 3.53Å; V232-L242 VanDerWaalsContact CA-O 3.28Å; V232-L242 WeakPolarHBondContact CA-O 3.49Å; A233-L242 PolarHBondContact N-O 3.06Å; A233-L242 PolarHBondContact O-N 3.04Å; L240-L242 HydrophobicContact CB-CD1 4.44Å; L242-I252 HydrophobicContact CD2-CG1 4.2Å; L242-I252 HydrophobicContact CG-CG1 4.3Å; L242-L264 HydrophobicContact CD2-CD1 4.3Å; L242-L274 HydrophobicContact CB-CD1 4.28Å; L242-V276 HydrophobicContact CD1-CG2 3.96Å; L242-V283 HydrophobicContact CD2-CB 4.29Å; L242-V283 HydrophobicContact CD2-CG1 3.74Å; L242-V283 HydrophobicContact CD2-CG2 3.74Å
243	A	98.7	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.7	179.4	0	0	0	0	0	110.2	I229 S231 V232 Y245 C250 N251	I229-A243 HydrophobicContact CG2-CB 4.27Å; S231-A243 CarbonylContact O-C 3.56Å; S231-A243 WeakPolarHBondContact O-CA 3.22Å; V232-A243 HydrophobicContact CG1-CB 4.16Å; A243-Y245 HydrophobicContact CB-CD2 4.39Å; A243-Y245 HydrophobicContact CB-CE2 3.53Å; A243-Y245 VanDerWaalsContact O-CD2 3.26Å; A243-Y245 WeakPolarHBondContact O-CD2 3.14Å; A243-Y245 VanDerWaalsContact O-CE2 3.32Å; A243-Y245 WeakPolarHBondContact O-CE2 3.3Å; A243-C250 CarbonylContact O-C 3.53Å; A243-C250 WeakPolarHBondContact O-CA 3.26Å; A243-C250 PolarHBondContact O-SG 2.62Å; A243-N251 PolarHBondContact N-O 3.04Å; A243-N251 PolarHBondContact O-N 3.09Å
244	G	98.4	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.5	175.7	0	0	0	0	0	110.3	I229 T230 S231 L274	I229-G244 WeakPolarHBondContact CA-O 3.44Å; T230-G244 PolarHBondContact N-O 3.05Å; T230-G244 PolarHBondContact OG1-O 2.71Å; S231-G244 PolarHBondContact O-N 2.89Å; G244-L274 VanDerWaalsContact N-CD2 3.26Å
245	Y	98.4	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	161	-171.8	-71	-98.7	0	0	0	111.8	I225 I229 A243 D247 F248 N249 N251 W253 V271	I225-Y245 HydrophobicContact CG2-CD1 3.69Å; I225-Y245 HydrophobicContact CG2-CE1 3.49Å; I225-Y245 VanDerWaalsContact CG2-CE1 3.49Å; I229-Y245 HydrophobicContact CD1-CE1 3.91Å; I229-Y245 HydrophobicContact CG1-CD1 3.67Å; I229-Y245 HydrophobicContact CG1-CE1 3.24Å; I229-Y245 HydrophobicContact CG1-CE2 4.42Å; I229-Y245 HydrophobicContact CG1-CG 4.43Å; A243-Y245 HydrophobicContact CB-CD2 4.39Å; A243-Y245 HydrophobicContact CB-CE2 3.53Å; A243-Y245 VanDerWaalsContact O-CD2 3.26Å; A243-Y245 WeakPolarHBondContact O-CD2 3.14Å; A243-Y245 VanDerWaalsContact O-CE2 3.32Å; A243-Y245 WeakPolarHBondContact O-CE2 3.3Å; Y245-D247 WeakPolarHBondContact CB-OD1 3.34Å; Y245-D247 PolarHBondContact O-N 3.46Å; Y245-F248 PolarHBondContact O-N 3.21Å; Y245-N249 PolarHBondContact N-O 3.01Å; Y245-N251 HydrophobicContact CD2-CB 4.35Å; Y245-N251 VanDerWaalsContact CD2-ND2 3.3Å; Y245-N251 WeakPolarHBondContact CD2-ND2 3.21Å; Y245-N251 HydrophobicContact CE2-CB 3.71Å; Y245-N251 WeakPolarHBondContact CE2-ND2 3.18Å; Y245-W253 WeakPolarHBondContact OH-CZ2 3.45Å; Y245-W253 PolarHBondContact OH-NE1 2.7Å; Y245-V271 PolarHBondContact O-N 3.41Å
246	D	97.6	Very high	97.6	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.251	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.8	175.6	-79.7	-13.1	0	0	0	114	C227 G228 T230 F248 R270	C227-D246 HydrophobicContact CB-CB 4.07Å; G228-D246 PolarHBondContact O-N 3.31Å; T230-D246 WeakPolarHBondContact CG2-OD1 3.27Å; D246-F248 WeakPolarHBondContact O-CD1 3.36Å; D246-F248 WeakPolarHBondContact O-CE1 3.15Å; D246-F248 PolarHBondContact O-N 2.87Å; D246-R270 IonicContact OD1-CZ 3.22Å; D246-R270 IonicContact OD1-NE 3.99Å; D246-R270 PolarHBondContact OD1-NE 3.29Å; D246-R270 IonicContact OD1-NH2 3.82Å; D246-R270 PolarHBondContact OD1-NH2 3.39Å; D246-R270 IonicContact OD2-NH2 3.91Å; D246-R270 PolarHBondContact OD2-NH2 3.39Å
247	D	96.8	Very high	97.5	Very high	60 Å²	60	39.1 Å²	39.1	32%	0.321	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	12.5	172.3	77.9	-17.6	0	0	0	114.2	Y245 N249	Y245-D247 WeakPolarHBondContact CB-OD1 3.34Å; Y245-D247 PolarHBondContact O-N 3.46Å; D247-N249 PolarHBondContact O-N 3.37Å; D247-N249 PolarHBondContact O-ND2 3.4Å; D247-N249 WeakPolarHBondContact OD1-CB 3.26Å; D247-N249 PolarHBondContact OD1-N 3.25Å; D247-N249 PolarHBondContact OD2-ND2 3.31Å
248	F	97.6	Very high	97.3	Very high	90 Å²	90	35.6 Å²	35.6	40%	0.395	17%	0.172	S	C	.	.	S	Bend	trans	77.8	-2.1	176.6	-38.2	-24.1	0	0	0	114.3	Y245 D246 N269 R270 V271	Y245-F248 PolarHBondContact O-N 3.21Å; D246-F248 WeakPolarHBondContact O-CD1 3.36Å; D246-F248 WeakPolarHBondContact O-CE1 3.15Å; D246-F248 PolarHBondContact O-N 2.87Å; F248-N269 WeakPolarHBondContact CB-O 3.05Å; F248-R270 HydrophobicContact CD1-CB 4.35Å; F248-V271 WeakPolarHBondContact O-CG2 3.36Å
249	N	97.1	Very high	97.3	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.23	20%	0.196	C	C	.	.			trans	-103	162.8	-179.4	-59.7	-55.1	0	0	0	111.9	Y245 D247 V263 A265	Y245-N249 PolarHBondContact N-O 3.01Å; D247-N249 PolarHBondContact O-N 3.37Å; D247-N249 PolarHBondContact O-ND2 3.4Å; D247-N249 WeakPolarHBondContact OD1-CB 3.26Å; D247-N249 PolarHBondContact OD1-N 3.25Å; D247-N249 PolarHBondContact OD2-ND2 3.31Å; N249-V263 HydrophobicContact CB-CG1 4.11Å; N249-A265 WeakPolarHBondContact OD1-CA 3.12Å; N249-A265 VanDerWaalsContact OD1-CB 3.29Å; N249-A265 WeakPolarHBondContact OD1-CB 3.42Å
250	C	98	Very high	97.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.4	163.7	167.2	0	0	0	0	109.3	A243 V263 L264	A243-C250 CarbonylContact O-C 3.53Å; A243-C250 WeakPolarHBondContact O-CA 3.26Å; A243-C250 PolarHBondContact O-SG 2.62Å; C250-V263 CarbonylContact O-C 3.53Å; C250-V263 WeakPolarHBondContact O-CA 3.26Å; C250-L264 HydrophobicContact CB-CB 4.08Å; C250-L264 HydrophobicContact CB-CD1 4.49Å; C250-L264 PolarHBondContact N-O 3.38Å; C250-L264 VanDerWaalsContact N-O 3.09Å; C250-L264 PolarHBondContact O-N 2.96Å
251	N	98.2	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.8	175.7	-64.6	-65.3	0	0	0	109.9	A243 Y245 W253 R260 V263	A243-N251 PolarHBondContact N-O 3.04Å; A243-N251 PolarHBondContact O-N 3.09Å; Y245-N251 HydrophobicContact CD2-CB 4.35Å; Y245-N251 VanDerWaalsContact CD2-ND2 3.3Å; Y245-N251 WeakPolarHBondContact CD2-ND2 3.21Å; Y245-N251 HydrophobicContact CE2-CB 3.71Å; Y245-N251 WeakPolarHBondContact CE2-ND2 3.18Å; N251-W253 HydrophobicContact CB-CZ2 4.28Å; N251-R260 VanDerWaalsContact OD1-CD 3.22Å; N251-R260 WeakPolarHBondContact OD1-CD 3.47Å; N251-R260 PolarHBondContact OD1-NH1 2.91Å; N251-V263 WeakPolarHBondContact OD1-CG2 3.39Å
252	I	98.3	Very high	97.1	Very high	12 Å²	12	42 Å²	42	6%	0.062	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117	173.8	-55.6	172.2	0	0	0	107.2	M1 L240 L241 L242 R260 A261 G262 L264	M1-I252 HydrophobicContact CE-CD1 4.21Å; M1-I252 HydrophobicContact CG-CD1 4.46Å; M1-I252 HydrophobicContact SD-CD1 4.06Å; L240-I252 HydrophobicContact CB-CG2 4.01Å; L240-I252 HydrophobicContact CD1-CG2 4.16Å; L240-I252 HydrophobicContact CD2-CG2 3.98Å; L240-I252 HydrophobicContact CG-CG2 4.27Å; L241-I252 CarbonylContact O-C 3.52Å; L241-I252 WeakPolarHBondContact O-CA 3.12Å; L242-I252 HydrophobicContact CD2-CG1 4.2Å; L242-I252 HydrophobicContact CG-CG1 4.3Å; I252-R260 CarbonylContact O-C 3.59Å; I252-A261 HydrophobicContact CG2-CB 4.42Å; I252-A261 WeakPolarHBondContact O-CA 3.46Å; I252-A261 PolarHBondContact O-N 3.25Å; I252-G262 PolarHBondContact N-O 2.92Å; I252-G262 PolarHBondContact O-N 2.69Å; I252-G262 VanDerWaalsContact O-N 3.13Å; I252-L264 HydrophobicContact CD1-CD1 4.37Å; I252-L264 HydrophobicContact CD1-CD2 3.9Å; I252-L264 HydrophobicContact CD1-CG 3.95Å; I252-L264 HydrophobicContact CG1-CG 4.29Å
253	W	98.5	Very high	97	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142	-179.4	-58.6	98.6	0	0	0	110.6	Y220 H222 I225 L240 L241 Y245 N251 A255 G258 R260	Y220-W253 HydrophobicContact CD1-CB 3.86Å; Y220-W253 HydrophobicContact CD1-CD2 4.41Å; Y220-W253 HydrophobicContact CD1-CE3 4.37Å; Y220-W253 HydrophobicContact CD1-CG 4.23Å; Y220-W253 HydrophobicContact CE1-CB 4.33Å; Y220-W253 HydrophobicContact CG-CB 4.48Å; Y220-W253 HydrophobicContact CG-CG 4.45Å; H222-W253 HydrophobicContact CB-CH2 4.07Å; I225-W253 HydrophobicContact CD1-CH2 4.25Å; I225-W253 HydrophobicContact CD1-CZ2 3.98Å; L240-W253 WeakPolarHBondContact CA-O 3.24Å; L241-W253 HydrophobicContact CB-CB 4.16Å; L241-W253 HydrophobicContact CG-CB 4.5Å; L241-W253 PolarHBondContact N-O 2.94Å; L241-W253 PolarHBondContact O-N 3.47Å; Y245-W253 WeakPolarHBondContact OH-CZ2 3.45Å; Y245-W253 PolarHBondContact OH-NE1 2.7Å; N251-W253 HydrophobicContact CB-CZ2 4.28Å; W253-A255 PolarHBondContact O-N 2.99Å; W253-G258 VanDerWaalsContact CE3-O 3.31Å; W253-G258 WeakPolarHBondContact CZ3-O 3.3Å; W253-R260 HydrophobicContact CE3-CB 3.98Å; W253-R260 HydrophobicContact CH2-CB 4.4Å; W253-R260 HydrophobicContact CZ3-CB 3.89Å
254	D	97.9	Very high	97	Very high	17 Å²	17	45 Å²	45	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	108.4	166	-174	-30.9	0	0	0	108.6	R239 M256 K257 G258 D259	R239-D254 WeakPolarHBondContact CD-OD1 3.33Å; R239-D254 IonicContact CZ-OD1 2.81Å; R239-D254 IonicContact CZ-OD2 3.88Å; R239-D254 VanDerWaalsContact CZ-OD2 3.32Å; R239-D254 IonicContact NE-OD1 3.53Å; R239-D254 PolarHBondContact NE-OD1 3.4Å; R239-D254 IonicContact NE-OD2 2.99Å; R239-D254 PolarHBondContact NE-OD2 3.1Å; R239-D254 VanDerWaalsContact NE-OD2 3.07Å; R239-D254 IonicContact NH2-OD1 3.95Å; R239-D254 IonicContact NH2-OD2 3.38Å; R239-D254 PolarHBondContact NH2-OD2 2.92Å; D254-M256 PolarHBondContact O-N 2.8Å; D254-M256 PolarHBondContact OD1-N 2.96Å; D254-M256 VanDerWaalsContact OD1-N 3.09Å; D254-K257 HydrophobicContact CB-CB 4.12Å; D254-K257 PolarHBondContact O-N 3.4Å; D254-K257 VanDerWaalsContact O-N 3.1Å; D254-K257 PolarHBondContact OD1-N 2.91Å; D254-G258 PolarHBondContact O-N 2.81Å; D254-D259 PolarHBondContact N-O 3.37Å
255	A	96.6	Very high	96.9	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.8	-172.9	0	0	0	0	0	114.1	L218 Y220 F234 G238 R239 W253	L218-A255 WeakPolarHBondContact CD2-O 3.45Å; Y220-A255 VanDerWaalsContact OH-CA 3.3Å; Y220-A255 WeakPolarHBondContact OH-CA 3.43Å; Y220-A255 PolarHBondContact OH-O 2.87Å; F234-A255 HydrophobicContact CE1-CB 4.09Å; G238-A255 WeakPolarHBondContact O-CB 3.19Å; R239-A255 WeakPolarHBondContact O-CB 3.36Å; R239-A255 PolarHBondContact O-N 2.96Å; W253-A255 PolarHBondContact O-N 2.99Å
256	M	94.3	Very high	96.8	Very high	151 Å²	151	49.7 Å²	49.7	74%	0.744	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-24.3	179.1	-64.7	-62.1	-144	0	0	112.9	D254	D254-M256 PolarHBondContact O-N 2.8Å; D254-M256 PolarHBondContact OD1-N 2.96Å; D254-M256 VanDerWaalsContact OD1-N 3.09Å
257	K	94.6	Very high	96.8	Very high	132 Å²	132	48 Å²	48	57%	0.574	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-24.6	-173.9	-65.3	-174.8	175.2	-174.8	0	113.6	D254 D259	D254-K257 HydrophobicContact CB-CB 4.12Å; D254-K257 PolarHBondContact O-N 3.4Å; D254-K257 VanDerWaalsContact O-N 3.1Å; D254-K257 PolarHBondContact OD1-N 2.91Å; K257-D259 HydrophobicContact CB-CB 4.35Å; K257-D259 PolarHBondContact O-N 2.84Å
258	G	93.8	Very high	96.9	Very high	15 Å²	15	51.3 Å²	51.3	16%	0.155	29%	0.289	C	S	.	.			trans	80.8	-6.9	-171.4	0	0	0	0	0	113.6	W253 D254	W253-G258 VanDerWaalsContact CE3-O 3.31Å; W253-G258 WeakPolarHBondContact CZ3-O 3.3Å; D254-G258 PolarHBondContact O-N 2.81Å
259	D	95.6	Very high	96.9	Very high	100 Å²	100	49.5 Å²	49.5	54%	0.535	28%	0.283	S	S	.	.			trans	-80.4	146.6	-177.6	-63.9	-40.3	0	0	0	112.5	D254 K257 A261	D254-D259 PolarHBondContact N-O 3.37Å; K257-D259 HydrophobicContact CB-CB 4.35Å; K257-D259 PolarHBondContact O-N 2.84Å; D259-A261 PolarHBondContact O-N 3.19Å
260	R	96.3	Very high	96.9	Very high	114 Å²	114	50.3 Å²	50.3	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	110	170.7	-173.2	171.1	64.5	173.7	-4.3	110.5	N251 I252 W253	N251-R260 VanDerWaalsContact OD1-CD 3.22Å; N251-R260 WeakPolarHBondContact OD1-CD 3.47Å; N251-R260 PolarHBondContact OD1-NH1 2.91Å; I252-R260 CarbonylContact O-C 3.59Å; W253-R260 HydrophobicContact CE3-CB 3.98Å; W253-R260 HydrophobicContact CH2-CB 4.4Å; W253-R260 HydrophobicContact CZ3-CB 3.89Å
261	A	96.8	Very high	97	Very high	68 Å²	68	50.3 Å²	50.3	56%	0.562	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	-25.5	177.6	0	0	0	0	0	113.3	I252 D259	I252-A261 HydrophobicContact CG2-CB 4.42Å; I252-A261 WeakPolarHBondContact O-CA 3.46Å; I252-A261 PolarHBondContact O-N 3.25Å; D259-A261 PolarHBondContact O-N 3.19Å
262	G	96.6	Very high	97	Very high	23 Å²	23	51 Å²	51	24%	0.237	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	177.9	178.9	0	0	0	0	0	114.3	I252	I252-G262 PolarHBondContact N-O 2.92Å; I252-G262 PolarHBondContact O-N 2.69Å; I252-G262 VanDerWaalsContact O-N 3.13Å
263	V	97.4	Very high	97	Very high	62 Å²	62	51 Å²	51	38%	0.376	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.9	179.3	-175.4	0	0	0	0	109.6	N249 C250 N251 A265	N249-V263 HydrophobicContact CB-CG1 4.11Å; C250-V263 CarbonylContact O-C 3.53Å; C250-V263 WeakPolarHBondContact O-CA 3.26Å; N251-V263 WeakPolarHBondContact OD1-CG2 3.39Å; V263-A265 HydrophobicContact CG1-CB 4.3Å
264	L	97.7	Very high	97	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	90.9	168.1	-54.4	-177	0	0	0	107.9	M1 L242 C250 I252 W295	M1-L264 HydrophobicContact CB-CD2 3.7Å; M1-L264 HydrophobicContact CG-CD2 4.16Å; M1-L264 HydrophobicContact SD-CD1 4.31Å; M1-L264 HydrophobicContact SD-CD2 4.09Å; L242-L264 HydrophobicContact CD2-CD1 4.3Å; C250-L264 HydrophobicContact CB-CB 4.08Å; C250-L264 HydrophobicContact CB-CD1 4.49Å; C250-L264 PolarHBondContact N-O 3.38Å; C250-L264 VanDerWaalsContact N-O 3.09Å; C250-L264 PolarHBondContact O-N 2.96Å; I252-L264 HydrophobicContact CD1-CD1 4.37Å; I252-L264 HydrophobicContact CD1-CD2 3.9Å; I252-L264 HydrophobicContact CD1-CG 3.95Å; I252-L264 HydrophobicContact CG1-CG 4.29Å; L264-W295 HydrophobicContact CB-CD2 4.4Å; L264-W295 HydrophobicContact CB-CE3 4.37Å; L264-W295 HydrophobicContact CB-CH2 4.18Å; L264-W295 HydrophobicContact CB-CZ2 4.22Å; L264-W295 HydrophobicContact CB-CZ3 4.26Å; L264-W295 HydrophobicContact CD1-CB 4.47Å; L264-W295 HydrophobicContact CD1-CD2 4.1Å; L264-W295 HydrophobicContact CD1-CG 4.01Å; L264-W295 HydrophobicContact CD2-CD2 4.21Å; L264-W295 HydrophobicContact CD2-CE3 3.92Å; L264-W295 HydrophobicContact CD2-CZ3 4.37Å; L264-W295 HydrophobicContact CG-CD2 4.48Å
265	A	97	Very high	97	Very high	69 Å²	69	51.3 Å²	51.3	57%	0.57	29%	0.293	S	S	*	.			trans	-100.1	121.2	174.7	0	0	0	0	0	108.9	N249 V263	N249-A265 WeakPolarHBondContact OD1-CA 3.12Å; N249-A265 VanDerWaalsContact OD1-CB 3.29Å; N249-A265 WeakPolarHBondContact OD1-CB 3.42Å; V263-A265 HydrophobicContact CG1-CB 4.3Å
266	G	96.3	Very high	97	Very high	28 Å²	28	52.2 Å²	52.2	29%	0.289	30%	0.299	S	S	.	.			trans	177	2.2	177.5	0	0	0	0	0	115.7	K293	G266-K293 WeakPolarHBondContact O-CE 3.27Å; G266-K293 PolarHBondContact O-NZ 3.39Å
267	H	98.3	Very high	97.2	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	27%	0.265	C	S	.	.			trans	-97	151.6	168.8	-74.9	-72.4	0	0	0	110.3	T285 S287 D289 F291	H267-T285 PolarHBondContact NE2-OG1 2.99Å; H267-S287 VanDerWaalsContact CG-CB 3.46Å; H267-S287 WeakPolarHBondContact ND1-CB 3.29Å; H267-D289 WeakPolarHBondContact CA-OD2 3.26Å; H267-D289 WeakPolarHBondContact CB-OD2 3.33Å; H267-D289 IonicContact CE1-OD1 2.86Å; H267-D289 IonicContact CE1-OD2 3.45Å; H267-D289 IonicContact CG-OD2 3.21Å; H267-D289 IonicContact ND1-OD1 2.7Å; H267-D289 PolarHBondContact ND1-OD1 3.04Å; H267-D289 IonicContact ND1-OD2 3.02Å; H267-D289 PolarHBondContact ND1-OD2 3.19Å; H267-F291 PolarHBondContact CE1-O 3.43Å
268	D	97.8	Very high	97.3	Very high	130 Å²	130	43.3 Å²	43.3	70%	0.695	26%	0.26	S	S	*	.	S	Bend	trans	-99	6.7	180	-59.8	-42.1	0	0	0	112.1	D289	D268-D289 HydrophobicContact CB-CB 4.43Å; D268-D289 PolarHBondContact N-OD2 2.97Å
269	N	98.2	Very high	97.4	Very high	52 Å²	52	45.8 Å²	45.8	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-156.3	172.6	178.9	-151.2	-38.6	0	0	0	109.9	F248 V271 S287 W288 D289	F248-N269 WeakPolarHBondContact CB-O 3.05Å; N269-V271 PolarHBondContact O-N 3.48Å; N269-S287 VanDerWaalsContact C-OG 3.31Å; N269-S287 PolarHBondContact O-OG 2.75Å; N269-W288 HydrophobicContact CB-CB 3.93Å; N269-D289 HydrophobicContact CB-CB 4.16Å
270	R	97.8	Very high	97.4	Very high	60 Å²	60	42.7 Å²	42.7	23%	0.226	26%	0.262	C	S	.	.			trans	-51.2	134.7	-175.6	68.8	-177.5	-67.9	-157.7	15.2	111.9	D246 F248 S272 S287 W288	D246-R270 IonicContact OD1-CZ 3.22Å; D246-R270 IonicContact OD1-NE 3.99Å; D246-R270 PolarHBondContact OD1-NE 3.29Å; D246-R270 IonicContact OD1-NH2 3.82Å; D246-R270 PolarHBondContact OD1-NH2 3.39Å; D246-R270 IonicContact OD2-NH2 3.91Å; D246-R270 PolarHBondContact OD2-NH2 3.39Å; F248-R270 HydrophobicContact CD1-CB 4.35Å; R270-S272 PolarHBondContact O-N 2.99Å; R270-S287 WeakPolarHBondContact O-CA 3.46Å; R270-S287 WeakPolarHBondContact O-CB 3.4Å; R270-S287 PolarHBondContact O-OG 3.24Å; R270-W288 VanDerWaalsContact CD-CZ3 3.42Å; R270-W288 HydrophobicContact CG-CB 4.1Å; R270-W288 HydrophobicContact CG-CD2 3.4Å; R270-W288 VanDerWaalsContact CG-CD2 3.4Å; R270-W288 HydrophobicContact CG-CE3 3.59Å; R270-W288 HydrophobicContact CG-CG 3.61Å; R270-W288 HydrophobicContact CG-CZ2 4.48Å; R270-W288 HydrophobicContact CG-CZ3 4.21Å; R270-W288 PolarHBondContact O-N 2.9Å; R270-W288 VanDerWaalsContact O-N 3.14Å
271	V	98.6	Very high	97.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.7	171	-179.7	0	0	0	0	105.6	T230 Y245 F248 N269	T230-V271 VanDerWaalsContact CB-O 3.28Å; T230-V271 WeakPolarHBondContact CB-O 3.46Å; T230-V271 VanDerWaalsContact CG2-O 3.28Å; T230-V271 WeakPolarHBondContact CG2-O 3.47Å; T230-V271 PolarHBondContact OG1-O 3.39Å; Y245-V271 PolarHBondContact O-N 3.41Å; F248-V271 WeakPolarHBondContact O-CG2 3.36Å; N269-V271 PolarHBondContact O-N 3.48Å
272	S	98.4	Very high	97.5	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-27.8	-175.7	53.2	0	0	0	0	112.6	I14 R270 G286	I14-S272 VanDerWaalsContact O-CB 3.28Å; I14-S272 WeakPolarHBondContact O-CB 3.2Å; I14-S272 PolarHBondContact O-OG 3.4Å; R270-S272 PolarHBondContact O-N 2.99Å; S272-G286 PolarHBondContact N-O 3.3Å; S272-G286 PolarHBondContact OG-O 2.83Å
273	C	98.3	Very high	97.6	Very high	10 Å²	10	40.1 Å²	40.1	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.8	-179.4	54.7	0	0	0	0	110.7	M17 G286	M17-C273 HydrophobicContact CG-CB 4.14Å; C273-G286 PolarHBondContact N-O 2.8Å; C273-G286 PolarHBondContact O-N 3.43Å
274	L	98.2	Very high	97.6	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.3	172.7	70.7	86.4	0	0	0	110	S231 A233 L242 G244 A284 T285	S231-L274 WeakPolarHBondContact O-CD2 3.25Å; S231-L274 WeakPolarHBondContact OG-CD2 3.17Å; A233-L274 HydrophobicContact CB-CD1 3.27Å; L242-L274 HydrophobicContact CB-CD1 4.28Å; G244-L274 VanDerWaalsContact N-CD2 3.26Å; L274-A284 CarbonylContact C-O 3.51Å; L274-A284 VanDerWaalsContact CA-O 3.24Å; L274-A284 WeakPolarHBondContact CA-O 3.5Å; L274-T285 HydrophobicContact CB-CG2 4.16Å
275	G	98	Very high	97.7	Very high	11 Å²	11	37 Å²	37	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	141.5	176.3	0	0	0	0	0	111.5	W19 V283 A284	W19-G275 PolarHBondContact NE1-O 2.74Å; G275-V283 CarbonylContact O-C 3.43Å; G275-V283 WeakPolarHBondContact O-CA 3.39Å; G275-A284 PolarHBondContact N-O 2.84Å; G275-A284 PolarHBondContact O-N 2.79Å
276	V	98.4	Very high	97.7	Very high	23 Å²	23	33.8 Å²	33.8	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.4	172.5	-171.8	0	0	0	0	108.3	A233 F234 L242 V283	A233-V276 HydrophobicContact CB-CG2 4Å; F234-V276 WeakPolarHBondContact O-CG2 3.33Å; L242-V276 HydrophobicContact CD1-CG2 3.96Å; V276-V283 HydrophobicContact CG1-CG2 4.43Å; V276-V283 HydrophobicContact CG2-CG2 4.12Å
277	T	98.3	Very high	97.9	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.031	18%	0.182	C	C	.	.			trans	-68.3	153.4	174.4	55.1	0	0	0	0	111.8	W19 D279 G280 M281 A282	W19-T277 HydrophobicContact CD2-CG2 3.67Å; W19-T277 HydrophobicContact CE3-CG2 3.82Å; W19-T277 HydrophobicContact CG-CG2 4.22Å; W19-T277 HydrophobicContact CH2-CG2 3.97Å; W19-T277 HydrophobicContact CZ2-CG2 3.8Å; W19-T277 HydrophobicContact CZ3-CG2 3.97Å; T277-D279 VanDerWaalsContact CB-OD1 3.22Å; T277-D279 WeakPolarHBondContact CB-OD1 3.33Å; T277-D279 PolarHBondContact O-N 3.38Å; T277-D279 PolarHBondContact OG1-OD1 3.23Å; T277-G280 WeakPolarHBondContact O-CA 3.22Å; T277-G280 PolarHBondContact O-N 2.99Å; T277-G280 PolarHBondContact OG1-N 2.72Å; T277-M281 PolarHBondContact OG1-N 3.22Å; T277-M281 VanDerWaalsContact OG1-N 3.07Å; T277-A282 HydrophobicContact CG2-CB 4.1Å; T277-A282 PolarHBondContact N-O 3.35Å; T277-A282 PolarHBondContact OG1-N 3.17Å; T277-A282 VanDerWaalsContact OG1-N 3.1Å; T277-A282 PolarHBondContact OG1-O 2.89Å
278	D	95.6	Very high	97.9	Very high	90 Å²	90	34.2 Å²	34.2	48%	0.481	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28	-179.2	-73	-8.4	0	0	0	113.1	T21 S23 R236 G280	T21-D278 WeakPolarHBondContact CA-OD2 3.43Å; S23-D278 PolarHBondContact OG-N 2.69Å; R236-D278 WeakPolarHBondContact CD-O 3.29Å; R236-D278 PolarHBondContact NE-O 3.1Å; D278-G280 VanDerWaalsContact C-N 3.35Å
279	D	96.4	Very high	97.9	Very high	67 Å²	67	29 Å²	29	36%	0.358	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.7	172.6	67.6	2.6	0	0	0	113.7	S23 T277 M281	S23-D279 PolarHBondContact OG-N 3.34Å; T277-D279 VanDerWaalsContact CB-OD1 3.22Å; T277-D279 WeakPolarHBondContact CB-OD1 3.33Å; T277-D279 PolarHBondContact O-N 3.38Å; T277-D279 PolarHBondContact OG1-OD1 3.23Å; D279-M281 VanDerWaalsContact C-N 3.28Å; D279-M281 HydrophobicContact CB-CG 4.19Å; D279-M281 PolarHBondContact O-N 3.12Å; D279-M281 VanDerWaalsContact OD1-CB 3.28Å; D279-M281 WeakPolarHBondContact OD1-CB 3.42Å; D279-M281 WeakPolarHBondContact OD1-CG 3.14Å; D279-M281 PolarHBondContact OD1-N 3.26Å; D279-M281 WeakPolarHBondContact OD2-CG 3.48Å
280	G	95.9	Very high	97.9	Very high	36 Å²	36	27.7 Å²	27.7	37%	0.371	16%	0.155	S	C	.	.	S	Bend	trans	72.8	9.9	-176.9	0	0	0	0	0	115.5	T277 D278	T277-G280 WeakPolarHBondContact O-CA 3.22Å; T277-G280 PolarHBondContact O-N 2.99Å; T277-G280 PolarHBondContact OG1-N 2.72Å; D278-G280 VanDerWaalsContact C-N 3.35Å
281	M	96.6	Very high	97.9	Very high	128 Å²	128	27.9 Å²	27.9	63%	0.631	16%	0.158	S	C	*	.	S	Bend	trans	-73.9	-27	-176.1	-70	-68	164.9	0	0	114.1	T277 D279 N296	T277-M281 PolarHBondContact OG1-N 3.22Å; T277-M281 VanDerWaalsContact OG1-N 3.07Å; D279-M281 VanDerWaalsContact C-N 3.28Å; D279-M281 HydrophobicContact CB-CG 4.19Å; D279-M281 PolarHBondContact O-N 3.12Å; D279-M281 VanDerWaalsContact OD1-CB 3.28Å; D279-M281 WeakPolarHBondContact OD1-CB 3.42Å; D279-M281 WeakPolarHBondContact OD1-CG 3.14Å; D279-M281 PolarHBondContact OD1-N 3.26Å; D279-M281 WeakPolarHBondContact OD2-CG 3.48Å; M281-N296 WeakPolarHBondContact O-CB 3.11Å
282	A	97.6	Very high	97.9	Very high	15 Å²	15	27.8 Å²	27.8	12%	0.124	16%	0.158	C	C	.	.			trans	-145.9	157.3	-176.5	0	0	0	0	0	112.9	T277 I294 W295	T277-A282 HydrophobicContact CG2-CB 4.1Å; T277-A282 PolarHBondContact N-O 3.35Å; T277-A282 PolarHBondContact OG1-N 3.17Å; T277-A282 VanDerWaalsContact OG1-N 3.1Å; T277-A282 PolarHBondContact OG1-O 2.89Å; A282-I294 HydrophobicContact CB-CG2 3.85Å; A282-W295 WeakPolarHBondContact CA-O 3.45Å
283	V	98.3	Very high	97.9	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134	170	-178.5	0	0	0	0	107.7	M1 L242 G275 V276 T285 I294 W295	M1-V283 HydrophobicContact CE-CG2 4.32Å; M1-V283 HydrophobicContact SD-CG2 4.25Å; L242-V283 HydrophobicContact CD2-CB 4.29Å; L242-V283 HydrophobicContact CD2-CG1 3.74Å; L242-V283 HydrophobicContact CD2-CG2 3.74Å; G275-V283 CarbonylContact O-C 3.43Å; G275-V283 WeakPolarHBondContact O-CA 3.39Å; V276-V283 HydrophobicContact CG1-CG2 4.43Å; V276-V283 HydrophobicContact CG2-CG2 4.12Å; V283-T285 HydrophobicContact CG1-CG2 4.47Å; V283-I294 CarbonylContact O-C 3.58Å; V283-I294 WeakPolarHBondContact O-CA 3.45Å; V283-W295 HydrophobicContact CB-CB 4.38Å; V283-W295 PolarHBondContact N-O 2.83Å; V283-W295 PolarHBondContact O-N 3.48Å
284	A	98.6	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.5	166.2	0	0	0	0	0	110.2	M17 W19 L274 G275 K293	M17-A284 HydrophobicContact CE-CB 3.54Å; M17-A284 HydrophobicContact SD-CB 4.25Å; W19-A284 HydrophobicContact CH2-CB 4.44Å; W19-A284 HydrophobicContact CZ2-CB 3.41Å; W19-A284 VanDerWaalsContact CZ2-CB 3.41Å; L274-A284 CarbonylContact C-O 3.51Å; L274-A284 VanDerWaalsContact CA-O 3.24Å; L274-A284 WeakPolarHBondContact CA-O 3.5Å; G275-A284 PolarHBondContact N-O 2.84Å; G275-A284 PolarHBondContact O-N 2.79Å; A284-K293 CarbonylContact C-O 3.54Å; A284-K293 VanDerWaalsContact CA-O 3.29Å; A284-K293 WeakPolarHBondContact CA-O 3.39Å
285	T	98.7	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.3	168.4	58.4	0	0	0	0	109	H267 L274 V283 L292 K293 W295	H267-T285 PolarHBondContact NE2-OG1 2.99Å; L274-T285 HydrophobicContact CB-CG2 4.16Å; V283-T285 HydrophobicContact CG1-CG2 4.47Å; T285-L292 CarbonylContact O-C 3.57Å; T285-L292 VanDerWaalsContact O-CA 3.24Å; T285-L292 WeakPolarHBondContact O-CA 3.49Å; T285-K293 PolarHBondContact N-O 2.93Å; T285-K293 PolarHBondContact O-N 3.09Å; T285-W295 PolarHBondContact OG1-NE1 3Å
286	G	98.6	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.7	171.9	0	0	0	0	0	110.2	S272 C273	S272-G286 PolarHBondContact N-O 3.3Å; S272-G286 PolarHBondContact OG-O 2.83Å; C273-G286 PolarHBondContact N-O 2.8Å; C273-G286 PolarHBondContact O-N 3.43Å
287	S	98.8	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165	-175.3	167.4	0	0	0	0	111.9	I14 H267 N269 R270 D289 S290 F291	I14-S287 PolarHBondContact N-O 3.49Å; H267-S287 VanDerWaalsContact CG-CB 3.46Å; H267-S287 WeakPolarHBondContact ND1-CB 3.29Å; N269-S287 VanDerWaalsContact C-OG 3.31Å; N269-S287 PolarHBondContact O-OG 2.75Å; R270-S287 WeakPolarHBondContact O-CA 3.46Å; R270-S287 WeakPolarHBondContact O-CB 3.4Å; R270-S287 PolarHBondContact O-OG 3.24Å; S287-D289 VanDerWaalsContact CB-OD1 3.31Å; S287-D289 WeakPolarHBondContact CB-OD1 3.26Å; S287-D289 PolarHBondContact O-N 3.21Å; S287-D289 PolarHBondContact OG-N 2.69Å; S287-D289 PolarHBondContact OG-OD1 2.79Å; S287-S290 PolarHBondContact O-N 3.41Å; S287-F291 PolarHBondContact N-O 2.83Å
288	W	98.6	Very high	97.6	Very high	48 Å²	48	34.4 Å²	34.4	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.7	170.3	-76.3	13.8	0	0	0	114	K13 Y15 N269 R270 S290	K13-W288 HydrophobicContact CB-CB 4.17Å; K13-W288 HydrophobicContact CB-CD2 4.5Å; K13-W288 HydrophobicContact CB-CG 3.9Å; K13-W288 HydrophobicContact CD-CB 4.23Å; K13-W288 HydrophobicContact CD-CD2 3.65Å; K13-W288 HydrophobicContact CD-CE3 3.92Å; K13-W288 HydrophobicContact CD-CG 3.83Å; K13-W288 HydrophobicContact CG-CB 3.85Å; K13-W288 HydrophobicContact CG-CD2 4.22Å; K13-W288 HydrophobicContact CG-CG 3.84Å; Y15-W288 HydrophobicContact CE2-CZ2 4.25Å; Y15-W288 AromaticContact CE2-NE1 3.62Å; Y15-W288 AromaticContact CZ-CZ2 3.87Å; Y15-W288 AromaticContact CZ-NE1 3.98Å; Y15-W288 WeakPolarHBondContact OH-CZ2 3.46Å; N269-W288 HydrophobicContact CB-CB 3.93Å; R270-W288 VanDerWaalsContact CD-CZ3 3.42Å; R270-W288 HydrophobicContact CG-CB 4.1Å; R270-W288 HydrophobicContact CG-CD2 3.4Å; R270-W288 VanDerWaalsContact CG-CD2 3.4Å; R270-W288 HydrophobicContact CG-CE3 3.59Å; R270-W288 HydrophobicContact CG-CG 3.61Å; R270-W288 HydrophobicContact CG-CZ2 4.48Å; R270-W288 HydrophobicContact CG-CZ3 4.21Å; R270-W288 PolarHBondContact O-N 2.9Å; R270-W288 VanDerWaalsContact O-N 3.14Å; W288-S290 PolarHBondContact O-N 2.8Å
289	D	98	Very high	97.7	Very high	22 Å²	22	31.3 Å²	31.3	12%	0.118	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.8	168.6	70.2	7.9	0	0	0	113.9	H267 D268 N269 S287 F291	H267-D289 WeakPolarHBondContact CA-OD2 3.26Å; H267-D289 WeakPolarHBondContact CB-OD2 3.33Å; H267-D289 IonicContact CE1-OD1 2.86Å; H267-D289 IonicContact CE1-OD2 3.45Å; H267-D289 IonicContact CG-OD2 3.21Å; H267-D289 IonicContact ND1-OD1 2.7Å; H267-D289 PolarHBondContact ND1-OD1 3.04Å; H267-D289 IonicContact ND1-OD2 3.02Å; H267-D289 PolarHBondContact ND1-OD2 3.19Å; D268-D289 HydrophobicContact CB-CB 4.43Å; D268-D289 PolarHBondContact N-OD2 2.97Å; N269-D289 HydrophobicContact CB-CB 4.16Å; S287-D289 VanDerWaalsContact CB-OD1 3.31Å; S287-D289 WeakPolarHBondContact CB-OD1 3.26Å; S287-D289 PolarHBondContact O-N 3.21Å; S287-D289 PolarHBondContact OG-N 2.69Å; S287-D289 PolarHBondContact OG-OD1 2.79Å; D289-F291 VanDerWaalsContact C-N 3.26Å; D289-F291 HydrophobicContact CB-CD2 4.14Å; D289-F291 WeakPolarHBondContact O-CD2 3.32Å; D289-F291 WeakPolarHBondContact O-CE2 3.4Å; D289-F291 PolarHBondContact O-N 3.38Å; D289-F291 WeakPolarHBondContact OD1-CB 3.46Å; D289-F291 PolarHBondContact OD1-N 2.61Å
290	S	98.1	Very high	97.7	Very high	23 Å²	23	29.2 Å²	29.2	16%	0.161	16%	0.158	C	C	.	.	S	Bend	trans	72	10.8	-179.8	-38.7	0	0	0	0	114.8	A12 S287 W288	A12-S290 WeakPolarHBondContact O-CB 3.5Å; A12-S290 PolarHBondContact O-OG 3.47Å; A12-S290 VanDerWaalsContact O-OG 3.07Å; S287-S290 PolarHBondContact O-N 3.41Å; W288-S290 PolarHBondContact O-N 2.8Å
291	F	98.3	Very high	97.9	Very high	64 Å²	64	28.8 Å²	28.8	28%	0.281	14%	0.144	S	C	.	.			trans	-107.8	146.5	176.8	-59.3	-63	0	0	0	112.4	T6 R8 I14 H267 S287 D289	T6-F291 HydrophobicContact CG2-CB 4.28Å; T6-F291 HydrophobicContact CG2-CD1 4.18Å; T6-F291 HydrophobicContact CG2-CG 4.35Å; R8-F291 HydrophobicContact CB-CE1 4.37Å; R8-F291 HydrophobicContact CG-CD1 3.82Å; R8-F291 HydrophobicContact CG-CE1 3.72Å; I14-F291 VanDerWaalsContact CD1-C 3.48Å; I14-F291 WeakPolarHBondContact CD1-O 3.32Å; H267-F291 PolarHBondContact CE1-O 3.43Å; S287-F291 PolarHBondContact N-O 2.83Å; D289-F291 VanDerWaalsContact C-N 3.26Å; D289-F291 HydrophobicContact CB-CD2 4.14Å; D289-F291 WeakPolarHBondContact O-CD2 3.32Å; D289-F291 WeakPolarHBondContact O-CE2 3.4Å; D289-F291 PolarHBondContact O-N 3.38Å; D289-F291 WeakPolarHBondContact OD1-CB 3.46Å; D289-F291 PolarHBondContact OD1-N 2.61Å
292	L	98.5	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.3	158.6	-60.5	91.9	0	0	0	109.7	T6 L7 I14 M17 L26 T285	T6-L292 CarbonylContact C-O 3.56Å; T6-L292 WeakPolarHBondContact CA-O 3.35Å; L7-L292 HydrophobicContact CB-CB 4.1Å; L7-L292 HydrophobicContact CB-CD1 4.49Å; L7-L292 HydrophobicContact CD1-CB 4.09Å; L7-L292 HydrophobicContact CG-CB 4.31Å; L7-L292 PolarHBondContact N-O 3.36Å; L7-L292 PolarHBondContact O-N 3Å; I14-L292 HydrophobicContact CD1-CD1 3.42Å; I14-L292 VanDerWaalsContact CD1-CD1 3.42Å; I14-L292 HydrophobicContact CD1-CG 3.87Å; I14-L292 HydrophobicContact CG1-CD1 4.37Å; M17-L292 HydrophobicContact CB-CD2 3.95Å; M17-L292 HydrophobicContact CG-CD2 4.33Å; L26-L292 HydrophobicContact CD1-CD2 3.76Å; T285-L292 CarbonylContact O-C 3.57Å; T285-L292 VanDerWaalsContact O-CA 3.24Å; T285-L292 WeakPolarHBondContact O-CA 3.49Å
293	K	98.6	Very high	98	Very high	32 Å²	32	22.6 Å²	22.6	14%	0.139	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.5	176.1	-67.5	179.5	-168.5	-122.5	0	109.5	T3 T6 G266 A284 T285 W295	T3-K293 HydrophobicContact CG2-CB 4.05Å; T3-K293 HydrophobicContact CG2-CD 4.38Å; T3-K293 HydrophobicContact CG2-CG 4.17Å; T6-K293 HydrophobicContact CG2-CG 4.47Å; G266-K293 WeakPolarHBondContact O-CE 3.27Å; G266-K293 PolarHBondContact O-NZ 3.39Å; A284-K293 CarbonylContact C-O 3.54Å; A284-K293 VanDerWaalsContact CA-O 3.29Å; A284-K293 WeakPolarHBondContact CA-O 3.39Å; T285-K293 PolarHBondContact N-O 2.93Å; T285-K293 PolarHBondContact O-N 3.09Å; K293-W295 HydrophobicContact CB-CZ2 3.88Å; K293-W295 HydrophobicContact CD-CH2 4.36Å; K293-W295 HydrophobicContact CD-CZ2 3.93Å; K293-W295 PolarHBondContact O-NE1 3.45Å
294	I	98.4	Very high	97.9	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.8	174.4	-60.1	163.5	0	0	0	108.4	R4 R5 L7 W19 S40 A282 V283	R4-I294 PolarHBondContact N-O 3.03Å; R5-I294 HydrophobicContact CB-CB 4.14Å; R5-I294 HydrophobicContact CB-CD1 3.97Å; R5-I294 HydrophobicContact CB-CG1 4.43Å; R5-I294 HydrophobicContact CG-CD1 4.4Å; R5-I294 PolarHBondContact N-O 2.59Å; R5-I294 PolarHBondContact O-N 2.87Å; L7-I294 HydrophobicContact CD1-CD1 4.21Å; L7-I294 HydrophobicContact CD2-CD1 4.33Å; L7-I294 HydrophobicContact CG-CD1 4.35Å; W19-I294 HydrophobicContact CH2-CD1 4.32Å; W19-I294 HydrophobicContact CH2-CG1 4.37Å; S40-I294 VanDerWaalsContact CB-CD1 3.5Å; A282-I294 HydrophobicContact CB-CG2 3.85Å; V283-I294 CarbonylContact O-C 3.58Å; V283-I294 WeakPolarHBondContact O-CA 3.45Å
295	W	98.2	Very high	97.9	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.6	-175.7	-45.7	84.6	0	0	0	110.3	M1 R2 T3 L264 A282 V283 T285 K293	M1-W295 HydrophobicContact CB-CB 4.08Å; M1-W295 HydrophobicContact SD-CB 4.23Å; R2-W295 WeakPolarHBondContact O-CA 3.12Å; T3-W295 WeakPolarHBondContact OG1-CH2 3.23Å; T3-W295 WeakPolarHBondContact OG1-CZ3 3.43Å; L264-W295 HydrophobicContact CB-CD2 4.4Å; L264-W295 HydrophobicContact CB-CE3 4.37Å; L264-W295 HydrophobicContact CB-CH2 4.18Å; L264-W295 HydrophobicContact CB-CZ2 4.22Å; L264-W295 HydrophobicContact CB-CZ3 4.26Å; L264-W295 HydrophobicContact CD1-CB 4.47Å; L264-W295 HydrophobicContact CD1-CD2 4.1Å; L264-W295 HydrophobicContact CD1-CG 4.01Å; L264-W295 HydrophobicContact CD2-CD2 4.21Å; L264-W295 HydrophobicContact CD2-CE3 3.92Å; L264-W295 HydrophobicContact CD2-CZ3 4.37Å; L264-W295 HydrophobicContact CG-CD2 4.48Å; A282-W295 WeakPolarHBondContact CA-O 3.45Å; V283-W295 HydrophobicContact CB-CB 4.38Å; V283-W295 PolarHBondContact N-O 2.83Å; V283-W295 PolarHBondContact O-N 3.48Å; T285-W295 PolarHBondContact OG1-NE1 3Å; K293-W295 HydrophobicContact CB-CZ2 3.88Å; K293-W295 HydrophobicContact CD-CH2 4.36Å; K293-W295 HydrophobicContact CD-CZ2 3.93Å; K293-W295 PolarHBondContact O-NE1 3.45Å
296	N	92.1	Very high	97.8	Very high	102 Å²	102	28.1 Å²	28.1	55%	0.545	14%	0.137	S	C	.	.			trans	-155	0	161.7	71.6	18	0	0	0	111.2	R2 R4 M281	R2-N296 PolarHBondContact N-O 3.26Å; R2-N296 PolarHBondContact O-N 3.06Å; R4-N296 WeakPolarHBondContact CD-OD1 3.3Å; R4-N296 WeakPolarHBondContact CG-OD1 3.38Å; R4-N296 PolarHBondContact NE-OD1 2.81Å; M281-N296 WeakPolarHBondContact O-CB 3.11Å

Retrieved 296 of 296 residues in 82.4 ms (Link to these results)

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