A0A096MLV4_PAPAN Loading...

Regucalcin

Gluconolactonase with low activity towards other sugar lactones, including gulonolactone and galactonolactone. Can also hydrolyze diisopropyl phosphorofluoridate and phenylacetate (in vitro). Calcium-binding protein. Modulates Ca(2+) signaling, and Ca(2+)-dependent cellular processes and enzyme activities.

AlphaFold DB (Q2PFX5), UniProt , Accession A0A096MLV4, Species PAPAN (Papio anubis, Olive baboon), Gene RGN, Length 299 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.1	Low	91.1	Very high	243 Å²	243	81.6 Å²	81.6	100%	1.197	45%	0.454	S	S	*	.				0	127	0	-64.6	177.5	-149.2	0	0	107.1
2	S	66.8	Low	91.7	Very high	86 Å²	86	77.7 Å²	77.7	60%	0.601	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-65.9	136.3	173.4	52.7	0	0	0	0	109.2	G286	S2-G286 WeakPolarHBondContact OG-CA 3.45Å
3	S	91.7	Very high	92.2	Very high	105 Å²	105	77.2 Å²	77.2	73%	0.734	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-63.2	147.2	170.9	52.9	0	0	0	0	110.6	K5	S3-K5 PolarHBondContact O-N 3.33Å
4	I	98.2	Very high	92.7	Very high	76 Å²	76	71.7 Å²	71.7	39%	0.39	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60	128.6	174.5	-64.2	174.4	0	0	0	109.1	I6 V238 I284 T285 L287	I4-I6 HydrophobicContact CG2-CG1 4.18Å; I4-V238 HydrophobicContact CD1-CG2 4.16Å; I4-V238 HydrophobicContact CG2-CG1 4.18Å; I4-I284 HydrophobicContact CG2-CG2 3.85Å; I4-T285 WeakPolarHBondContact CA-O 3.46Å; I4-L287 HydrophobicContact CD1-CD2 4.39Å
5	K	98.6	Very high	93	Very high	103 Å²	103	75 Å²	75	45%	0.448	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133	171.4	-176.6	-167.9	175	-148.1	0	108.8	S3 E7 I284 T285	S3-K5 PolarHBondContact O-N 3.33Å; K5-E7 IonicContact NZ-OE1 2.93Å; K5-E7 PolarHBondContact NZ-OE1 3.15Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.92Å; K5-I284 WeakPolarHBondContact O-CA 3.49Å; K5-T285 PolarHBondContact N-O 3.17Å; K5-T285 PolarHBondContact O-N 3.23Å
6	I	98.8	Very high	93.4	Very high	56 Å²	56	72 Å²	72	29%	0.287	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.6	176.3	-55.4	173	0	0	0	107	I4 V238 K239 L240 F282 K283 I284	I4-I6 HydrophobicContact CG2-CG1 4.18Å; I6-V238 HydrophobicContact CD1-CG1 3.69Å; I6-V238 HydrophobicContact CG1-CG1 4.38Å; I6-K239 WeakPolarHBondContact CD1-O 3.34Å; I6-L240 HydrophobicContact CG2-CG 4.48Å; I6-F282 HydrophobicContact CG2-CD1 4.06Å; I6-K283 WeakPolarHBondContact CA-O 3.47Å; I6-I284 HydrophobicContact CG1-CG1 4.28Å; I6-I284 HydrophobicContact CG1-CG2 4.18Å
7	E	98.6	Very high	93.7	Very high	65 Å²	65	67.8 Å²	67.8	30%	0.304	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141	176.9	64.1	-167.1	126.7	0	0	111.1	K5 V9 F282 K283	K5-E7 IonicContact NZ-OE1 2.93Å; K5-E7 PolarHBondContact NZ-OE1 3.15Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.92Å; E7-V9 HydrophobicContact CG-CG1 3.86Å; E7-V9 PolarHBondContact O-N 3.15Å; E7-F282 CarbonylContact O-C 3.59Å; E7-F282 WeakPolarHBondContact O-CA 3.29Å; E7-K283 HydrophobicContact CG-CB 4.34Å; E7-K283 PolarHBondContact N-O 3.47Å; E7-K283 PolarHBondContact O-N 3Å
8	C	98.7	Very high	94	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	111.2	167.3	-173.7	0	0	0	0	108.4	E277 F282	C8-E277 HydrophobicContact CB-CB 4.44Å; C8-E277 VanDerWaalsContact CB-CD 3.44Å; C8-E277 HydrophobicContact CB-CG 4.27Å; C8-E277 WeakPolarHBondContact CB-OE1 3.41Å; C8-F282 HydrophobicContact CB-CD1 4.13Å; C8-F282 HydrophobicContact CB-CE1 3.8Å; C8-F282 HydrophobicContact CB-CZ 4.25Å
9	V	98.6	Very high	94.2	Very high	35 Å²	35	61.1 Å²	61.1	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-21	-178.1	-68.6	0	0	0	0	112.8	E7 W42 Y259 I281 K283	E7-V9 HydrophobicContact CG-CG1 3.86Å; E7-V9 PolarHBondContact O-N 3.15Å; V9-W42 HydrophobicContact CB-CH2 4.02Å; V9-W42 HydrophobicContact CB-CZ2 4.11Å; V9-W42 HydrophobicContact CG2-CH2 3.97Å; V9-W42 HydrophobicContact CG2-CZ2 4.3Å; V9-W42 HydrophobicContact CG2-CZ3 4.42Å; V9-Y259 HydrophobicContact CG2-CD1 4.44Å; V9-Y259 HydrophobicContact CG2-CE1 4.29Å; V9-I281 HydrophobicContact CG2-CB 4.29Å; V9-I281 HydrophobicContact CG2-CG2 4.12Å; V9-I281 VanDerWaalsContact CG2-O 3.29Å; V9-I281 WeakPolarHBondContact CG2-O 3.42Å; V9-I281 PolarHBondContact N-O 3.16Å; V9-K283 HydrophobicContact CG1-CB 3.47Å; V9-K283 VanDerWaalsContact CG1-CB 3.47Å; V9-K283 HydrophobicContact CG1-CD 4.24Å; V9-K283 HydrophobicContact CG1-CG 4.48Å; V9-K283 HydrophobicContact CG2-CB 4.25Å
10	L	98.6	Very high	94.5	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	102.3	178.6	-179	68.4	0	0	0	109.2	E12 F31 W42 V49 G280 I281	L10-E12 HydrophobicContact CD2-CB 4.2Å; L10-E12 HydrophobicContact CG-CB 4.08Å; L10-E12 PolarHBondContact O-N 3.28Å; L10-F31 HydrophobicContact CD2-CE1 3.93Å; L10-F31 HydrophobicContact CD2-CZ 3.73Å; L10-W42 HydrophobicContact CD2-CB 4.17Å; L10-W42 HydrophobicContact CD2-CG 4.05Å; L10-V49 HydrophobicContact CD1-CG1 4.19Å; L10-V49 HydrophobicContact CD2-CB 4.43Å; L10-V49 HydrophobicContact CD2-CG2 4.41Å; L10-G280 CarbonylContact O-C 3.46Å; L10-G280 WeakPolarHBondContact O-CA 3.44Å; L10-I281 HydrophobicContact CB-CB 4.09Å; L10-I281 HydrophobicContact CB-CG1 4.15Å; L10-I281 HydrophobicContact CD2-CG1 4.08Å; L10-I281 PolarHBondContact N-O 2.68Å; L10-I281 PolarHBondContact O-N 3.42Å
11	P	98.2	Very high	94.7	Very high	85 Å²	85	56.6 Å²	56.6	55%	0.552	31%	0.305	S	S	*	.			trans	-78.4	63.1	177.7	33.1	-35.8	0	0	0	111.1	N13	P11-N13 VanDerWaalsContact C-N 3.26Å; P11-N13 PolarHBondContact O-N 3.07Å
12	E	98.3	Very high	96.8	Very high	34 Å²	34	45.1 Å²	45.1	16%	0.159	25%	0.248	C	C	.	.			trans	-69.8	-20.7	-172	-171.8	56.1	-160.6	0	0	113.6	L10 C14 F31 R51	L10-E12 HydrophobicContact CD2-CB 4.2Å; L10-E12 HydrophobicContact CG-CB 4.08Å; L10-E12 PolarHBondContact O-N 3.28Å; E12-C14 WeakPolarHBondContact CG-SG 3.24Å; E12-C14 PolarHBondContact O-N 3.24Å; E12-F31 HydrophobicContact CG-CE2 4.22Å; E12-F31 HydrophobicContact CG-CZ 4.22Å; E12-R51 IonicContact OE1-CZ 3.93Å; E12-R51 IonicContact OE1-NE 3.18Å; E12-R51 PolarHBondContact OE1-NE 3.46Å; E12-R51 IonicContact OE1-NH2 2.8Å; E12-R51 PolarHBondContact OE1-NH2 2.78Å; E12-R51 IonicContact OE2-CZ 3.3Å; E12-R51 IonicContact OE2-NE 2.81Å; E12-R51 IonicContact OE2-NH2 2.97Å; E12-R51 PolarHBondContact OE2-NH2 2.7Å
13	N	98.3	Very high	98.3	Very high	71 Å²	71	42.2 Å²	42.2	38%	0.38	23%	0.225	S	C	.	.			trans	54.4	38.4	-173.8	-58.6	-54.9	0	0	0	112.6	P11 R15 G279	P11-N13 VanDerWaalsContact C-N 3.26Å; P11-N13 PolarHBondContact O-N 3.07Å; N13-R15 PolarHBondContact O-N 2.98Å; N13-G279 PolarHBondContact N-O 3.02Å
14	C	98.8	Very high	98.6	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.213	C	C	.	.			trans	-50.8	137.5	174.2	-66.2	0	0	0	0	110.2	E12 D33 R264 G279	E12-C14 WeakPolarHBondContact CG-SG 3.24Å; E12-C14 PolarHBondContact O-N 3.24Å; C14-D33 WeakPolarHBondContact CA-OD2 3.39Å; C14-D33 HydrophobicContact CB-CB 4.24Å; C14-R264 WeakPolarHBondContact O-CB 3.16Å; C14-R264 PolarHBondContact O-N 3.41Å; C14-G279 WeakPolarHBondContact CB-O 3.28Å; C14-G279 PolarHBondContact N-O 3.36Å; C14-G279 VanDerWaalsContact O-CA 3.25Å; C14-G279 WeakPolarHBondContact O-CA 3.28Å
15	R	98.1	Very high	98.6	Very high	121 Å²	121	43.4 Å²	43.4	46%	0.457	24%	0.236	S	C	.	.	S	Bend	trans	-63.8	-50.5	171.1	-74.5	-168.6	66.6	-164.2	-5.4	109.8	N13 D33 P35 A263 R264 D265	N13-R15 PolarHBondContact O-N 2.98Å; R15-D33 WeakPolarHBondContact CB-OD1 3.4Å; R15-D33 PolarHBondContact N-OD1 3.04Å; R15-D33 VanDerWaalsContact N-OD1 3.16Å; R15-D33 PolarHBondContact N-OD2 3.35Å; R15-P35 HydrophobicContact CB-CG 3.46Å; R15-P35 VanDerWaalsContact CB-CG 3.46Å; R15-P35 HydrophobicContact CG-CG 4.47Å; R15-A263 WeakPolarHBondContact O-CB 3.43Å; R15-R264 PolarHBondContact O-N 2.9Å; R15-D265 WeakPolarHBondContact CB-OD1 3.48Å; R15-D265 WeakPolarHBondContact CG-OD1 3.33Å; R15-D265 IonicContact CZ-OD1 3.64Å; R15-D265 IonicContact CZ-OD2 3.17Å; R15-D265 IonicContact NE-OD1 2.88Å; R15-D265 PolarHBondContact NE-OD1 3.43Å; R15-D265 IonicContact NE-OD2 3.02Å; R15-D265 PolarHBondContact NE-OD2 2.68Å; R15-D265 IonicContact NH2-OD1 3.52Å; R15-D265 IonicContact NH2-OD2 2.69Å; R15-D265 PolarHBondContact NH2-OD2 2.93Å; R15-D265 WeakPolarHBondContact O-CB 3.34Å; R15-D265 PolarHBondContact O-N 3.3Å
16	C	98.6	Very high	98.5	Very high	27 Å²	27	40.2 Å²	40.2	18%	0.182	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-142.6	90.9	167.4	-166.6	0	0	0	0	109.3	D33 I34 P35 A263	C16-D33 PolarHBondContact N-OD1 3.39Å; C16-D33 WeakPolarHBondContact O-CA 3.22Å; C16-I34 PolarHBondContact O-N 2.82Å; C16-I34 VanDerWaalsContact O-N 3.07Å; C16-P35 HydrophobicContact CB-CG 4.2Å; C16-A263 HydrophobicContact CB-CB 4.17Å
17	G	98.8	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.6	176.7	0	0	0	0	0	110.1	V32 T246 T261 C262	G17-V32 CarbonylContact C-O 3.57Å; G17-V32 VanDerWaalsContact CA-O 3.28Å; G17-V32 WeakPolarHBondContact CA-O 3.33Å; G17-T246 WeakPolarHBondContact O-CB 3.41Å; G17-T246 PolarHBondContact O-OG1 3.27Å; G17-T261 VanDerWaalsContact O-CB 3.31Å; G17-T261 WeakPolarHBondContact O-CB 3.43Å; G17-T261 PolarHBondContact O-OG1 3.19Å; G17-C262 PolarHBondContact N-O 2.78Å; G17-C262 VanDerWaalsContact N-O 3.08Å
18	E	98.8	Very high	98.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	172	-170.9	-100.2	-68.1	-172.1	0	0	113.7	F31 V32 I34 T246 S247	E18-F31 CarbonylContact O-C 3.54Å; E18-F31 WeakPolarHBondContact O-CA 3.49Å; E18-F31 WeakPolarHBondContact O-CB 3.14Å; E18-V32 HydrophobicContact CB-CG2 3.65Å; E18-V32 PolarHBondContact N-O 3.36Å; E18-V32 PolarHBondContact O-N 2.85Å; E18-I34 HydrophobicContact CB-CD1 3.8Å; E18-I34 HydrophobicContact CB-CG1 3.88Å; E18-I34 HydrophobicContact CG-CD1 3.68Å; E18-I34 HydrophobicContact CG-CG1 4.2Å; E18-T246 WeakPolarHBondContact OE1-CB 3.44Å; E18-S247 WeakPolarHBondContact OE2-CB 3.3Å
19	S	98.8	Very high	98.5	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.1	55	173.3	-179.2	0	0	0	0	114.3	V21 S60 V61	S19-V21 PolarHBondContact O-N 2.93Å; S19-S60 WeakPolarHBondContact OG-CA 3.34Å; S19-V61 PolarHBondContact OG-N 3.5Å; S19-V61 PolarHBondContact OG-O 2.84Å
20	P	98.9	Very high	98.5	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.065	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127	175.8	28.8	-33.2	0	0	0	110.9	L29 L30 S247 C249 T261	P20-L29 HydrophobicContact CB-CD1 4.14Å; P20-L30 CarbonylContact C-O 3.51Å; P20-L30 VanDerWaalsContact CA-O 3.31Å; P20-L30 WeakPolarHBondContact CA-O 3.43Å; P20-S247 WeakPolarHBondContact CD-OG 3.21Å; P20-C249 HydrophobicContact CB-CB 4.23Å; P20-C249 HydrophobicContact CG-CB 4.17Å; P20-C249 VanDerWaalsContact O-CB 3.22Å; P20-C249 WeakPolarHBondContact O-CB 3.27Å; P20-T261 HydrophobicContact CB-CG2 3.97Å; P20-T261 HydrophobicContact CG-CG2 4.03Å
21	V	98.9	Very high	98.5	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.115	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.9	177.2	177.3	0	0	0	0	109.9	S19 L30 V61 L63 P294	S19-V21 PolarHBondContact O-N 2.93Å; V21-L30 HydrophobicContact CB-CB 4.36Å; V21-L30 PolarHBondContact N-O 3.02Å; V21-L30 PolarHBondContact O-N 2.88Å; V21-V61 VanDerWaalsContact CG2-O 3.25Å; V21-V61 WeakPolarHBondContact CG2-O 3.22Å; V21-L63 HydrophobicContact CG1-CD2 4.48Å; V21-L63 HydrophobicContact CG1-CG 4.22Å; V21-P294 HydrophobicContact CG1-CB 4.11Å; V21-P294 HydrophobicContact CG1-CG 3.93Å
22	W	98.9	Very high	98.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.6	177.2	-172.5	-105.8	0	0	0	112	D27 L29 F250 G251 G252 Y255 Y259 P294	W22-D27 HydrophobicContact CH2-CB 4.46Å; W22-D27 HydrophobicContact CZ2-CB 4.16Å; W22-L29 HydrophobicContact CE3-CB 4.29Å; W22-L29 HydrophobicContact CE3-CD1 4.29Å; W22-L29 HydrophobicContact CZ3-CB 4.36Å; W22-F250 WeakPolarHBondContact CB-O 3.32Å; W22-G251 VanDerWaalsContact CD2-CA 3.48Å; W22-G252 VanDerWaalsContact CZ2-CA 3.45Å; W22-Y255 HydrophobicContact CB-CE1 4.27Å; W22-Y255 AromaticContact CD1-CE1 3.55Å; W22-Y255 AromaticContact CD1-CZ 3.99Å; W22-Y255 HydrophobicContact CG-CE1 4.23Å; W22-Y259 HydrophobicContact CD2-CE2 4.45Å; W22-Y259 HydrophobicContact CE3-CD2 4.12Å; W22-Y259 AromaticContact CE3-CE2 3.56Å; W22-Y259 HydrophobicContact CE3-CE2 3.56Å; W22-Y259 HydrophobicContact CH2-CE2 4.26Å; W22-Y259 HydrophobicContact CZ3-CD2 4.36Å; W22-Y259 AromaticContact CZ3-CE2 3.45Å; W22-Y259 HydrophobicContact CZ3-CE2 3.45Å; W22-Y259 VanDerWaalsContact CZ3-CE2 3.45Å; W22-Y259 AromaticContact CZ3-CZ 3.56Å; W22-Y259 WeakPolarHBondContact CZ3-OH 3.48Å; W22-P294 VanDerWaalsContact O-CG 3.29Å; W22-P294 WeakPolarHBondContact O-CG 3.45Å
23	E	98.7	Very high	98.6	Very high	25 Å²	25	28.5 Å²	28.5	12%	0.117	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	93.6	170.9	-178.7	176.6	-119.3	0	0	109.2	A25 S26 D27 S28 L30 R41 L63 Y69	E23-A25 VanDerWaalsContact C-N 3.27Å; E23-A25 PolarHBondContact O-N 3.41Å; E23-S26 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact OE2-OG 3.37Å; E23-D27 PolarHBondContact O-N 3.14Å; E23-D27 VanDerWaalsContact O-N 3.12Å; E23-S28 PolarHBondContact N-O 2.87Å; E23-S28 PolarHBondContact O-N 2.99Å; E23-L30 HydrophobicContact CB-CD1 3.68Å; E23-R41 IonicContact OE2-CZ 3.46Å; E23-R41 VanDerWaalsContact OE2-CZ 3.3Å; E23-R41 IonicContact OE2-NE 3.9Å; E23-R41 PolarHBondContact OE2-NE 2.94Å; E23-R41 IonicContact OE2-NH2 3.99Å; E23-R41 PolarHBondContact OE2-NH2 2.88Å; E23-L63 HydrophobicContact CB-CD2 4.12Å; E23-L63 HydrophobicContact CG-CD2 4.21Å; E23-Y69 VanDerWaalsContact OE1-CE1 3.26Å; E23-Y69 WeakPolarHBondContact OE1-CE1 3.45Å; E23-Y69 PolarHBondContact OE1-OH 3.35Å; E23-Y69 PolarHBondContact OE2-OH 3.15Å
24	E	98.1	Very high	98.6	Very high	100 Å²	100	25.4 Å²	25.4	47%	0.467	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-62.6	-33.7	-178	-178.3	176.9	-142.1	0	0	112.5	S26 D27	E24-S26 PolarHBondContact O-N 2.85Å; E24-D27 PolarHBondContact O-N 2.96Å
25	A	97.4	Very high	98.5	Very high	106 Å²	106	27.4 Å²	27.4	88%	0.876	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-58.9	-23	-177.4	0	0	0	0	0	114	E23	E23-A25 VanDerWaalsContact C-N 3.27Å; E23-A25 PolarHBondContact O-N 3.41Å
26	S	97.5	Very high	98.5	Very high	35 Å²	35	22.7 Å²	22.7	25%	0.245	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-133.9	19.8	178.1	64.8	0	0	0	0	113.2	E23 E24 S28 R41	E23-S26 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact OE2-OG 3.37Å; E24-S26 PolarHBondContact O-N 2.85Å; S26-S28 PolarHBondContact O-N 2.6Å; S26-S28 VanDerWaalsContact O-N 3.11Å; S26-S28 PolarHBondContact O-OG 3.31Å; S26-S28 WeakPolarHBondContact OG-CB 3.4Å; S26-S28 PolarHBondContact OG-OG 3.25Å; S26-R41 VanDerWaalsContact CB-NH2 3.33Å; S26-R41 PolarHBondContact OG-NH2 2.79Å
27	D	98.2	Very high	98.5	Very high	61 Å²	61	24.7 Å²	24.7	33%	0.326	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	45.6	-177.1	-69.8	-72.1	0	0	0	112.7	W22 E23 E24 S44 L45	W22-D27 HydrophobicContact CH2-CB 4.46Å; W22-D27 HydrophobicContact CZ2-CB 4.16Å; E23-D27 PolarHBondContact O-N 3.14Å; E23-D27 VanDerWaalsContact O-N 3.12Å; E24-D27 PolarHBondContact O-N 2.96Å; D27-S44 WeakPolarHBondContact O-CB 3.44Å; D27-S44 PolarHBondContact O-N 2.83Å; D27-S44 PolarHBondContact O-OG 2.78Å; D27-L45 HydrophobicContact CB-CD1 4.31Å; D27-L45 HydrophobicContact CB-CG 4.22Å
28	S	98.7	Very high	98.5	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.9	-170.9	-63.7	0	0	0	0	112.2	E23 S26 W42	E23-S28 PolarHBondContact N-O 2.87Å; E23-S28 PolarHBondContact O-N 2.99Å; S26-S28 PolarHBondContact O-N 2.6Å; S26-S28 VanDerWaalsContact O-N 3.11Å; S26-S28 PolarHBondContact O-OG 3.31Å; S26-S28 WeakPolarHBondContact OG-CB 3.4Å; S26-S28 PolarHBondContact OG-OG 3.25Å; S28-W42 CarbonylContact C-O 3.56Å; S28-W42 VanDerWaalsContact CA-O 3.23Å; S28-W42 WeakPolarHBondContact CA-O 3.24Å
29	L	98.9	Very high	98.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.7	169.8	-172.9	73.4	0	0	0	109.3	P20 W22 F31 W42 Y259 I281	P20-L29 HydrophobicContact CB-CD1 4.14Å; W22-L29 HydrophobicContact CE3-CB 4.29Å; W22-L29 HydrophobicContact CE3-CD1 4.29Å; W22-L29 HydrophobicContact CZ3-CB 4.36Å; L29-F31 HydrophobicContact CD2-CD1 4.38Å; L29-F31 HydrophobicContact CG-CD1 4.49Å; L29-W42 HydrophobicContact CB-CE3 3.84Å; L29-W42 PolarHBondContact N-O 3.49Å; L29-W42 PolarHBondContact O-N 2.56Å; L29-Y259 HydrophobicContact CD1-CD2 4.1Å; L29-Y259 HydrophobicContact CD1-CG 3.95Å; L29-Y259 HydrophobicContact CD2-CD1 3.85Å; L29-Y259 HydrophobicContact CD2-CG 3.96Å; L29-I281 HydrophobicContact CD2-CG2 3.63Å
30	L	98.9	Very high	98.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.2	162.6	-67.1	102.8	0	0	0	110.1	P20 V21 E23 C40 R41 V61 L63 Y69	P20-L30 CarbonylContact C-O 3.51Å; P20-L30 VanDerWaalsContact CA-O 3.31Å; P20-L30 WeakPolarHBondContact CA-O 3.43Å; V21-L30 HydrophobicContact CB-CB 4.36Å; V21-L30 PolarHBondContact N-O 3.02Å; V21-L30 PolarHBondContact O-N 2.88Å; E23-L30 HydrophobicContact CB-CD1 3.68Å; L30-C40 VanDerWaalsContact CA-O 3.29Å; L30-C40 WeakPolarHBondContact CA-O 3.31Å; L30-R41 HydrophobicContact CG-CG 4.42Å; L30-V61 HydrophobicContact CB-CG1 3.91Å; L30-V61 HydrophobicContact CD2-CG2 3.89Å; L30-L63 HydrophobicContact CD1-CD2 3.94Å; L30-Y69 HydrophobicContact CD1-CE1 3.91Å; L30-Y69 HydrophobicContact CD2-CD1 3.57Å; L30-Y69 HydrophobicContact CD2-CD2 4.13Å; L30-Y69 HydrophobicContact CD2-CE1 3.45Å; L30-Y69 VanDerWaalsContact CD2-CE1 3.45Å; L30-Y69 HydrophobicContact CD2-CE2 3.99Å; L30-Y69 HydrophobicContact CD2-CG 3.93Å; L30-Y69 HydrophobicContact CG-CE1 4.3Å
31	F	98.9	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	170.7	170.8	63.7	-83.7	0	0	0	109.1	L10 E12 E18 L29 C40 W42 T261 I281	L10-F31 HydrophobicContact CD2-CE1 3.93Å; L10-F31 HydrophobicContact CD2-CZ 3.73Å; E12-F31 HydrophobicContact CG-CE2 4.22Å; E12-F31 HydrophobicContact CG-CZ 4.22Å; E18-F31 CarbonylContact O-C 3.54Å; E18-F31 WeakPolarHBondContact O-CA 3.49Å; E18-F31 WeakPolarHBondContact O-CB 3.14Å; L29-F31 HydrophobicContact CD2-CD1 4.38Å; L29-F31 HydrophobicContact CG-CD1 4.49Å; F31-C40 HydrophobicContact CD1-CB 3.84Å; F31-C40 HydrophobicContact CD2-CB 3.83Å; F31-C40 HydrophobicContact CE1-CB 3.47Å; F31-C40 VanDerWaalsContact CE1-CB 3.47Å; F31-C40 HydrophobicContact CE2-CB 3.46Å; F31-C40 VanDerWaalsContact CE2-CB 3.46Å; F31-C40 HydrophobicContact CG-CB 4.01Å; F31-C40 HydrophobicContact CZ-CB 3.27Å; F31-C40 PolarHBondContact N-O 3.12Å; F31-C40 PolarHBondContact O-N 2.81Å; F31-W42 HydrophobicContact CE1-CB 4.18Å; F31-T261 HydrophobicContact CB-CG2 4.34Å; F31-I281 HydrophobicContact CD1-CD1 4.42Å; F31-I281 HydrophobicContact CD2-CD1 3.99Å; F31-I281 HydrophobicContact CE1-CD1 4.44Å; F31-I281 HydrophobicContact CE1-CG1 4.29Å; F31-I281 HydrophobicContact CE2-CD1 4.01Å; F31-I281 HydrophobicContact CE2-CG1 4.42Å; F31-I281 HydrophobicContact CG-CD1 4.19Å; F31-I281 HydrophobicContact CZ-CD1 4.24Å; F31-I281 HydrophobicContact CZ-CG1 4.17Å
32	V	98.9	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158.5	175.8	-57.4	0	0	0	0	111	G17 E18 I34 K38 L39 V58 S59 V61	G17-V32 CarbonylContact C-O 3.57Å; G17-V32 VanDerWaalsContact CA-O 3.28Å; G17-V32 WeakPolarHBondContact CA-O 3.33Å; E18-V32 HydrophobicContact CB-CG2 3.65Å; E18-V32 PolarHBondContact N-O 3.36Å; E18-V32 PolarHBondContact O-N 2.85Å; V32-I34 HydrophobicContact CG2-CG1 3.93Å; V32-K38 CarbonylContact C-O 3.52Å; V32-K38 WeakPolarHBondContact CA-O 3.4Å; V32-K38 WeakPolarHBondContact CB-O 3.38Å; V32-L39 HydrophobicContact CG1-CD2 4.43Å; V32-L39 HydrophobicContact CG1-CG 4.32Å; V32-V58 HydrophobicContact CG1-CB 4.43Å; V32-V58 HydrophobicContact CG1-CG1 3.93Å; V32-V58 WeakPolarHBondContact CG2-O 3.42Å; V32-S59 WeakPolarHBondContact CG2-O 3.27Å; V32-V61 HydrophobicContact CG1-CB 4.16Å; V32-V61 HydrophobicContact CG1-CG1 4.04Å
33	D	98.8	Very high	98.5	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	99.9	160.5	-178	-1.3	0	0	0	107.8	C14 R15 C16 A36 K37 K38	C14-D33 WeakPolarHBondContact CA-OD2 3.39Å; C14-D33 HydrophobicContact CB-CB 4.24Å; R15-D33 WeakPolarHBondContact CB-OD1 3.4Å; R15-D33 PolarHBondContact N-OD1 3.04Å; R15-D33 VanDerWaalsContact N-OD1 3.16Å; R15-D33 PolarHBondContact N-OD2 3.35Å; C16-D33 PolarHBondContact N-OD1 3.39Å; C16-D33 WeakPolarHBondContact O-CA 3.22Å; D33-A36 HydrophobicContact CB-CB 3.88Å; D33-A36 CarbonylContact O-C 3.56Å; D33-A36 PolarHBondContact O-N 2.99Å; D33-A36 WeakPolarHBondContact OD2-CB 3.44Å; D33-K37 PolarHBondContact O-N 2.77Å; D33-K38 HydrophobicContact CB-CB 4.33Å; D33-K38 PolarHBondContact N-O 3.24Å; D33-K38 PolarHBondContact O-N 3.41Å
34	I	98.6	Very high	98.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.036	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-61.7	-163.3	-55.1	-170.5	0	0	0	112.2	C16 E18 V32 A36 K37 P57 V58	C16-I34 PolarHBondContact O-N 2.82Å; C16-I34 VanDerWaalsContact O-N 3.07Å; E18-I34 HydrophobicContact CB-CD1 3.8Å; E18-I34 HydrophobicContact CB-CG1 3.88Å; E18-I34 HydrophobicContact CG-CD1 3.68Å; E18-I34 HydrophobicContact CG-CG1 4.2Å; V32-I34 HydrophobicContact CG2-CG1 3.93Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.11Å; I34-K37 PolarHBondContact O-N 3.28Å; I34-P57 HydrophobicContact CG2-CB 3.93Å; I34-P57 WeakPolarHBondContact O-CA 3.24Å; I34-V58 WeakPolarHBondContact CA-O 3.3Å; I34-V58 WeakPolarHBondContact CG1-O 3.35Å
35	P	97.7	Very high	98.4	Very high	42 Å²	42	31.4 Å²	31.4	27%	0.273	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.4	-177.2	32.9	-39	0	0	0	112.5	R15 C16	R15-P35 HydrophobicContact CB-CG 3.46Å; R15-P35 VanDerWaalsContact CB-CG 3.46Å; R15-P35 HydrophobicContact CG-CG 4.47Å; C16-P35 HydrophobicContact CB-CG 4.2Å
36	A	98.4	Very high	98.4	Very high	23 Å²	23	30 Å²	30	19%	0.19	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.9	171.6	0	0	0	0	0	112.9	D33 I34 K38	D33-A36 HydrophobicContact CB-CB 3.88Å; D33-A36 CarbonylContact O-C 3.56Å; D33-A36 PolarHBondContact O-N 2.99Å; D33-A36 WeakPolarHBondContact OD2-CB 3.44Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.11Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 HydrophobicContact CB-CD 3.99Å; A36-K38 HydrophobicContact CB-CG 4.11Å; A36-K38 PolarHBondContact O-N 3.32Å
37	K	98.5	Very high	98.4	Very high	68 Å²	68	34.2 Å²	34.2	30%	0.296	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	35	179.2	-48	-175.6	-74.3	158.9	0	112.7	D33 I34 T53 M54 D55 A56	D33-K37 PolarHBondContact O-N 2.77Å; I34-K37 PolarHBondContact O-N 3.28Å; K37-T53 HydrophobicContact CB-CG2 4.43Å; K37-T53 CarbonylContact O-C 3.48Å; K37-T53 VanDerWaalsContact O-CA 3.32Å; K37-T53 WeakPolarHBondContact O-CA 3.25Å; K37-M54 PolarHBondContact NZ-O 3.4Å; K37-M54 PolarHBondContact O-N 3.46Å; K37-D55 WeakPolarHBondContact CD-O 3.45Å; K37-D55 PolarHBondContact NZ-O 3.29Å; K37-A56 WeakPolarHBondContact CB-O 3.31Å; K37-A56 WeakPolarHBondContact CG-O 3.49Å
38	K	98.7	Very high	98.4	Very high	64 Å²	64	37.6 Å²	37.6	28%	0.278	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.3	-175.3	-63.8	172.5	-177.7	172.8	0	110.9	V32 D33 A36 V52	V32-K38 CarbonylContact C-O 3.52Å; V32-K38 WeakPolarHBondContact CA-O 3.4Å; V32-K38 WeakPolarHBondContact CB-O 3.38Å; D33-K38 HydrophobicContact CB-CB 4.33Å; D33-K38 PolarHBondContact N-O 3.24Å; D33-K38 PolarHBondContact O-N 3.41Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 HydrophobicContact CB-CD 3.99Å; A36-K38 HydrophobicContact CB-CG 4.11Å; A36-K38 PolarHBondContact O-N 3.32Å; K38-V52 WeakPolarHBondContact CA-O 3.19Å
39	L	98.6	Very high	98.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.2	153.7	-63.7	106.2	0	0	0	108.5	V32 R51 V52 M54 V58 V61 A71 L80 W82	V32-L39 HydrophobicContact CG1-CD2 4.43Å; V32-L39 HydrophobicContact CG1-CG 4.32Å; L39-R51 CarbonylContact O-C 3.53Å; L39-R51 VanDerWaalsContact O-CA 3.25Å; L39-R51 WeakPolarHBondContact O-CA 3.28Å; L39-V52 PolarHBondContact N-O 2.73Å; L39-V52 PolarHBondContact O-N 2.68Å; L39-M54 HydrophobicContact CD1-CE 3.7Å; L39-M54 HydrophobicContact CD1-CG 3.61Å; L39-M54 HydrophobicContact CD1-SD 4.26Å; L39-V58 HydrophobicContact CD1-CB 4.41Å; L39-V58 HydrophobicContact CD1-CG1 3.93Å; L39-V58 HydrophobicContact CD1-CG2 3.97Å; L39-V58 HydrophobicContact CD2-CG1 4.1Å; L39-V58 HydrophobicContact CG-CB 4.5Å; L39-V58 HydrophobicContact CG-CG1 3.84Å; L39-V61 HydrophobicContact CD2-CB 3.89Å; L39-V61 HydrophobicContact CD2-CG2 3.67Å; L39-A71 HydrophobicContact CD2-CB 3.8Å; L39-L80 HydrophobicContact CD1-CD2 4.25Å; L39-L80 HydrophobicContact CD2-CD2 3.89Å; L39-W82 HydrophobicContact CB-CH2 4.46Å; L39-W82 HydrophobicContact CB-CZ3 4.01Å
40	C	98.8	Very high	98.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.8	-178.5	-63.2	0	0	0	0	109.4	L30 F31 V49 Q50	L30-C40 VanDerWaalsContact CA-O 3.29Å; L30-C40 WeakPolarHBondContact CA-O 3.31Å; F31-C40 HydrophobicContact CD1-CB 3.84Å; F31-C40 HydrophobicContact CD2-CB 3.83Å; F31-C40 HydrophobicContact CE1-CB 3.47Å; F31-C40 VanDerWaalsContact CE1-CB 3.47Å; F31-C40 HydrophobicContact CE2-CB 3.46Å; F31-C40 VanDerWaalsContact CE2-CB 3.46Å; F31-C40 HydrophobicContact CG-CB 4.01Å; F31-C40 HydrophobicContact CZ-CB 3.27Å; F31-C40 PolarHBondContact N-O 3.12Å; F31-C40 PolarHBondContact O-N 2.81Å; C40-V49 HydrophobicContact CB-CG2 4.29Å; C40-Q50 WeakPolarHBondContact CA-O 3.31Å
41	R	98.7	Very high	98.3	Very high	53 Å²	53	48 Å²	48	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.6	170.6	-176.6	178.4	175.7	-133.8	5.4	108.3	E23 S26 L30 V49 Q50 Y69 W82	E23-R41 IonicContact OE2-CZ 3.46Å; E23-R41 VanDerWaalsContact OE2-CZ 3.3Å; E23-R41 IonicContact OE2-NE 3.9Å; E23-R41 PolarHBondContact OE2-NE 2.94Å; E23-R41 IonicContact OE2-NH2 3.99Å; E23-R41 PolarHBondContact OE2-NH2 2.88Å; S26-R41 VanDerWaalsContact CB-NH2 3.33Å; S26-R41 PolarHBondContact OG-NH2 2.79Å; L30-R41 HydrophobicContact CG-CG 4.42Å; R41-V49 WeakPolarHBondContact O-CA 3.4Å; R41-Q50 PolarHBondContact N-O 3.02Å; R41-Q50 PolarHBondContact O-N 2.82Å; R41-Y69 WeakPolarHBondContact CD-OH 3.38Å; R41-Y69 PolarHBondContact NE-OH 3.04Å; R41-W82 HydrophobicContact CB-CH2 3.74Å; R41-W82 HydrophobicContact CB-CZ2 3.49Å; R41-W82 VanDerWaalsContact CB-CZ2 3.49Å
42	W	98.8	Very high	98.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	179.6	172.8	72.8	0	0	0	110.3	V9 L10 S28 L29 F31 K47 Q48 V49 Y259	V9-W42 HydrophobicContact CB-CH2 4.02Å; V9-W42 HydrophobicContact CB-CZ2 4.11Å; V9-W42 HydrophobicContact CG2-CH2 3.97Å; V9-W42 HydrophobicContact CG2-CZ2 4.3Å; V9-W42 HydrophobicContact CG2-CZ3 4.42Å; L10-W42 HydrophobicContact CD2-CB 4.17Å; L10-W42 HydrophobicContact CD2-CG 4.05Å; S28-W42 CarbonylContact C-O 3.56Å; S28-W42 VanDerWaalsContact CA-O 3.23Å; S28-W42 WeakPolarHBondContact CA-O 3.24Å; L29-W42 HydrophobicContact CB-CE3 3.84Å; L29-W42 PolarHBondContact N-O 3.49Å; L29-W42 PolarHBondContact O-N 2.56Å; F31-W42 HydrophobicContact CE1-CB 4.18Å; W42-K47 HydrophobicContact CZ2-CD 4.01Å; W42-Q48 WeakPolarHBondContact CA-O 3.27Å; W42-V49 HydrophobicContact CB-CB 4.45Å; W42-Y259 HydrophobicContact CH2-CE1 4.17Å; W42-Y259 AromaticContact CZ3-CE1 3.59Å; W42-Y259 HydrophobicContact CZ3-CE1 3.59Å
43	D	98.6	Very high	98.2	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.2	174.7	174.3	-26.2	0	0	0	109.1	L45 T46 K47 Q48	D43-L45 PolarHBondContact O-N 3.23Å; D43-L45 WeakPolarHBondContact OD1-CA 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.08Å; D43-L45 PolarHBondContact OD1-N 2.89Å; D43-T46 VanDerWaalsContact CB-OG1 3.3Å; D43-T46 WeakPolarHBondContact CB-OG1 3.49Å; D43-T46 PolarHBondContact OD1-N 3.23Å; D43-T46 PolarHBondContact OD1-OG1 3.07Å; D43-T46 VanDerWaalsContact OD2-CG2 3.23Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.28Å; D43-T46 PolarHBondContact OD2-OG1 3.2Å; D43-K47 WeakPolarHBondContact O-CA 3.22Å; D43-K47 PolarHBondContact O-N 3.12Å; D43-Q48 PolarHBondContact N-O 2.86Å
44	S	98	Very high	98.2	Very high	15 Å²	15	53 Å²	53	11%	0.105	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.9	-175.5	76.5	0	0	0	0	113.5	D27 K47	D27-S44 WeakPolarHBondContact O-CB 3.44Å; D27-S44 PolarHBondContact O-N 2.83Å; D27-S44 PolarHBondContact O-OG 2.78Å; S44-K47 WeakPolarHBondContact O-CD 3.28Å; S44-K47 VanDerWaalsContact O-CE 3.32Å; S44-K47 WeakPolarHBondContact O-CE 3.21Å; S44-K47 PolarHBondContact O-NZ 2.94Å
45	L	96.6	Very high	98.1	Very high	124 Å²	124	58.7 Å²	58.7	65%	0.649	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-54.1	177.5	-59.4	177.3	0	0	0	110.4	D27 D43 K47	D27-L45 HydrophobicContact CB-CD1 4.31Å; D27-L45 HydrophobicContact CB-CG 4.22Å; D43-L45 PolarHBondContact O-N 3.23Å; D43-L45 WeakPolarHBondContact OD1-CA 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.08Å; D43-L45 PolarHBondContact OD1-N 2.89Å; L45-K47 VanDerWaalsContact C-N 3.31Å
46	T	97.7	Very high	98.1	Very high	76 Å²	76	58 Å²	58	47%	0.466	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.3	-177.3	67.9	0	0	0	0	113.3	D43 Q48	D43-T46 VanDerWaalsContact CB-OG1 3.3Å; D43-T46 WeakPolarHBondContact CB-OG1 3.49Å; D43-T46 PolarHBondContact OD1-N 3.23Å; D43-T46 PolarHBondContact OD1-OG1 3.07Å; D43-T46 VanDerWaalsContact OD2-CG2 3.23Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.28Å; D43-T46 PolarHBondContact OD2-OG1 3.2Å; T46-Q48 PolarHBondContact O-N 2.97Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-N 3.07Å
47	K	97.6	Very high	98.1	Very high	124 Å²	124	58.2 Å²	58.2	54%	0.539	29%	0.293	S	S	.	.			trans	62.1	10.6	-175.4	-44.7	-56.6	-177.2	-174.4	0	113.9	W42 D43 S44 L45	W42-K47 HydrophobicContact CZ2-CD 4.01Å; D43-K47 WeakPolarHBondContact O-CA 3.22Å; D43-K47 PolarHBondContact O-N 3.12Å; S44-K47 WeakPolarHBondContact O-CD 3.28Å; S44-K47 VanDerWaalsContact O-CE 3.32Å; S44-K47 WeakPolarHBondContact O-CE 3.21Å; S44-K47 PolarHBondContact O-NZ 2.94Å; L45-K47 VanDerWaalsContact C-N 3.31Å
48	Q	98.3	Very high	98.1	Very high	131 Å²	131	55 Å²	55	61%	0.612	28%	0.279	S	S	*	.			trans	-80.5	146.5	177	-61.8	-55.4	-53.5	0	0	110.3	W42 D43 T46	W42-Q48 WeakPolarHBondContact CA-O 3.27Å; D43-Q48 PolarHBondContact N-O 2.86Å; T46-Q48 PolarHBondContact O-N 2.97Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-N 3.07Å
49	V	98.4	Very high	98.1	Very high	28 Å²	28	52 Å²	52	17%	0.17	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.5	175.9	50.6	0	0	0	0	109.7	L10 C40 R41 W42 R51	L10-V49 HydrophobicContact CD1-CG1 4.19Å; L10-V49 HydrophobicContact CD2-CB 4.43Å; L10-V49 HydrophobicContact CD2-CG2 4.41Å; C40-V49 HydrophobicContact CB-CG2 4.29Å; R41-V49 WeakPolarHBondContact O-CA 3.4Å; W42-V49 HydrophobicContact CB-CB 4.45Å; V49-R51 HydrophobicContact CG2-CG 4.2Å; V49-R51 PolarHBondContact O-NH1 2.82Å
50	Q	98.3	Very high	98.1	Very high	97 Å²	97	52 Å²	52	45%	0.453	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.5	171.6	-66.7	178.7	-30.2	0	0	109.3	C40 R41 W82	C40-Q50 WeakPolarHBondContact CA-O 3.31Å; R41-Q50 PolarHBondContact N-O 3.02Å; R41-Q50 PolarHBondContact O-N 2.82Å; Q50-W82 HydrophobicContact CB-CZ2 3.67Å
51	R	98.2	Very high	98.1	Very high	100 Å²	100	52 Å²	52	38%	0.377	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.6	-176.5	-55.4	179.1	-173.2	74.3	-4.4	110.8	E12 L39 V49	E12-R51 IonicContact OE1-CZ 3.93Å; E12-R51 IonicContact OE1-NE 3.18Å; E12-R51 PolarHBondContact OE1-NE 3.46Å; E12-R51 IonicContact OE1-NH2 2.8Å; E12-R51 PolarHBondContact OE1-NH2 2.78Å; E12-R51 IonicContact OE2-CZ 3.3Å; E12-R51 IonicContact OE2-NE 2.81Å; E12-R51 IonicContact OE2-NH2 2.97Å; E12-R51 PolarHBondContact OE2-NH2 2.7Å; L39-R51 CarbonylContact O-C 3.53Å; L39-R51 VanDerWaalsContact O-CA 3.25Å; L39-R51 WeakPolarHBondContact O-CA 3.28Å; V49-R51 HydrophobicContact CG2-CG 4.2Å; V49-R51 PolarHBondContact O-NH1 2.82Å
52	V	97.7	Very high	98.1	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.9	169.7	-164	0	0	0	0	108.3	K38 L39 M54 W82 Q85	K38-V52 WeakPolarHBondContact CA-O 3.19Å; L39-V52 PolarHBondContact N-O 2.73Å; L39-V52 PolarHBondContact O-N 2.68Å; V52-M54 HydrophobicContact CB-CE 3.84Å; V52-M54 HydrophobicContact CG1-CE 3.2Å; V52-W82 HydrophobicContact CB-CZ3 4.42Å; V52-W82 HydrophobicContact CG2-CD2 4.14Å; V52-W82 HydrophobicContact CG2-CE3 3.8Å; V52-W82 HydrophobicContact CG2-CH2 3.76Å; V52-W82 HydrophobicContact CG2-CZ2 4.07Å; V52-W82 HydrophobicContact CG2-CZ3 3.62Å; V52-Q85 HydrophobicContact CG1-CB 3.72Å; V52-Q85 HydrophobicContact CG1-CG 3.94Å; V52-Q85 HydrophobicContact CG2-CG 4.04Å
53	T	98	Very high	98.1	Very high	88 Å²	88	50.7 Å²	50.7	54%	0.54	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.5	-179.4	-52.8	0	0	0	0	110.4	K37	K37-T53 HydrophobicContact CB-CG2 4.43Å; K37-T53 CarbonylContact O-C 3.48Å; K37-T53 VanDerWaalsContact O-CA 3.32Å; K37-T53 WeakPolarHBondContact O-CA 3.25Å
54	M	97.5	Very high	98.1	Very high	20 Å²	20	51.6 Å²	51.6	10%	0.099	26%	0.264	C	S	.	.			trans	-102.6	171.8	-179.6	-61.3	-62.8	130.7	0	0	112.6	K37 L39 V52 V58 I73 L80 A87	K37-M54 PolarHBondContact NZ-O 3.4Å; K37-M54 PolarHBondContact O-N 3.46Å; L39-M54 HydrophobicContact CD1-CE 3.7Å; L39-M54 HydrophobicContact CD1-CG 3.61Å; L39-M54 HydrophobicContact CD1-SD 4.26Å; V52-M54 HydrophobicContact CB-CE 3.84Å; V52-M54 HydrophobicContact CG1-CE 3.2Å; M54-V58 HydrophobicContact CB-CG2 3.58Å; M54-V58 HydrophobicContact CG-CG2 3.42Å; M54-V58 VanDerWaalsContact CG-CG2 3.42Å; M54-I73 HydrophobicContact CB-CG2 4.09Å; M54-I73 HydrophobicContact CG-CD1 3.83Å; M54-I73 HydrophobicContact CG-CG1 4.44Å; M54-I73 HydrophobicContact CG-CG2 4.5Å; M54-I73 HydrophobicContact SD-CD1 3.75Å; M54-L80 HydrophobicContact CE-CD1 3.73Å; M54-A87 HydrophobicContact SD-CB 4.3Å
55	D	96.5	Very high	98.1	Very high	126 Å²	126	57.6 Å²	57.6	67%	0.674	29%	0.29	S	S	*	.	S	Bend	trans	-78	-29.6	179.5	62.9	-6.2	0	0	0	113.1	K37	K37-D55 WeakPolarHBondContact CD-O 3.45Å; K37-D55 PolarHBondContact NZ-O 3.29Å
56	A	97.5	Very high	98.1	Very high	27 Å²	27	55.6 Å²	55.6	22%	0.223	29%	0.287	C	S	.	.	S	Bend	trans	-124.9	168.6	177.4	0	0	0	0	0	112.7	K37 V58 I73	K37-A56 WeakPolarHBondContact CB-O 3.31Å; K37-A56 WeakPolarHBondContact CG-O 3.49Å; A56-V58 PolarHBondContact O-N 3.02Å; A56-I73 HydrophobicContact CB-CG2 4.06Å
57	P	98.4	Very high	98.1	Very high	29 Å²	29	54.1 Å²	54.1	19%	0.188	29%	0.286	C	S	.	.			trans	-51.4	133.2	173.7	-28.8	37.5	0	0	0	112.2	I34 I73 G74	I34-P57 HydrophobicContact CG2-CB 3.93Å; I34-P57 WeakPolarHBondContact O-CA 3.24Å; P57-I73 CarbonylContact O-C 3.17Å; P57-I73 WeakPolarHBondContact O-CA 3.23Å; P57-G74 PolarHBondContact O-N 2.89Å
58	V	98.6	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116	176.7	-168.2	0	0	0	0	107.8	V32 I34 L39 M54 A56 A71 T72 I73	V32-V58 HydrophobicContact CG1-CB 4.43Å; V32-V58 HydrophobicContact CG1-CG1 3.93Å; V32-V58 WeakPolarHBondContact CG2-O 3.42Å; I34-V58 WeakPolarHBondContact CA-O 3.3Å; I34-V58 WeakPolarHBondContact CG1-O 3.35Å; L39-V58 HydrophobicContact CD1-CB 4.41Å; L39-V58 HydrophobicContact CD1-CG1 3.93Å; L39-V58 HydrophobicContact CD1-CG2 3.97Å; L39-V58 HydrophobicContact CD2-CG1 4.1Å; L39-V58 HydrophobicContact CG-CB 4.5Å; L39-V58 HydrophobicContact CG-CG1 3.84Å; M54-V58 HydrophobicContact CB-CG2 3.58Å; M54-V58 HydrophobicContact CG-CG2 3.42Å; M54-V58 VanDerWaalsContact CG-CG2 3.42Å; A56-V58 PolarHBondContact O-N 3.02Å; V58-A71 HydrophobicContact CG1-CB 4.12Å; V58-T72 WeakPolarHBondContact CA-O 3.22Å; V58-I73 HydrophobicContact CG1-CG1 4.13Å; V58-I73 HydrophobicContact CG2-CG1 4.17Å; V58-I73 HydrophobicContact CG2-CG2 4.39Å
59	S	98.8	Very high	98	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-28.4	-167.2	71.1	0	0	0	0	114.2	V32 T72 F102 N103	V32-S59 WeakPolarHBondContact CG2-O 3.27Å; S59-T72 PolarHBondContact N-O 3.35Å; S59-T72 PolarHBondContact OG-OG1 2.89Å; S59-F102 WeakPolarHBondContact CB-O 3.46Å; S59-F102 VanDerWaalsContact OG-CB 3.26Å; S59-F102 WeakPolarHBondContact OG-CB 3.42Å; S59-F102 PolarHBondContact OG-O 2.66Å; S59-N103 CarbonylContact C-O 3.55Å; S59-N103 WeakPolarHBondContact CB-O 3.36Å; S59-N103 PolarHBondContact OG-N 2.93Å; S59-N103 PolarHBondContact OG-O 2.85Å
60	S	98.9	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	159.5	174.5	70.8	0	0	0	0	112.1	S19 A71 T72 Y113	S19-S60 WeakPolarHBondContact OG-CA 3.34Å; S60-A71 VanDerWaalsContact O-CA 3.25Å; S60-A71 WeakPolarHBondContact O-CA 3.42Å; S60-A71 WeakPolarHBondContact O-CB 3.3Å; S60-T72 PolarHBondContact N-OG1 2.79Å; S60-T72 PolarHBondContact O-N 2.77Å; S60-T72 PolarHBondContact OG-OG1 2.8Å; S60-Y113 PolarHBondContact O-OH 2.91Å; S60-Y113 PolarHBondContact OG-OH 2.84Å
61	V	98.9	Very high	98.1	Very high	2 Å²	2	38 Å²	38	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.2	177	62.2	0	0	0	0	109.6	S19 V21 L30 V32 L39 V70	S19-V61 PolarHBondContact OG-N 3.5Å; S19-V61 PolarHBondContact OG-O 2.84Å; V21-V61 VanDerWaalsContact CG2-O 3.25Å; V21-V61 WeakPolarHBondContact CG2-O 3.22Å; L30-V61 HydrophobicContact CB-CG1 3.91Å; L30-V61 HydrophobicContact CD2-CG2 3.89Å; V32-V61 HydrophobicContact CG1-CB 4.16Å; V32-V61 HydrophobicContact CG1-CG1 4.04Å; L39-V61 HydrophobicContact CD2-CB 3.89Å; L39-V61 HydrophobicContact CD2-CG2 3.67Å; V61-V70 CarbonylContact C-O 3.51Å; V61-V70 WeakPolarHBondContact CA-O 3.15Å
62	A	98.9	Very high	98.1	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.9	173.2	0	0	0	0	0	111.8	Y69 V70 V107 Y113	A62-Y69 WeakPolarHBondContact O-CA 3.43Å; A62-Y69 WeakPolarHBondContact O-CB 3.47Å; A62-V70 HydrophobicContact CB-CG2 3.95Å; A62-V70 PolarHBondContact N-O 2.86Å; A62-V70 PolarHBondContact O-N 3.28Å; A62-V107 HydrophobicContact CB-CG2 3.54Å; A62-Y113 HydrophobicContact CB-CE1 4.4Å
63	L	98.8	Very high	98.2	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.12	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	147.6	176.2	-55.4	-178.7	0	0	0	110.6	V21 E23 L30 Y69 P294 S296 Y297	V21-L63 HydrophobicContact CG1-CD2 4.48Å; V21-L63 HydrophobicContact CG1-CG 4.22Å; E23-L63 HydrophobicContact CB-CD2 4.12Å; E23-L63 HydrophobicContact CG-CD2 4.21Å; L30-L63 HydrophobicContact CD1-CD2 3.94Å; L63-Y69 HydrophobicContact CD2-CD1 4.05Å; L63-Y69 HydrophobicContact CD2-CE1 3.84Å; L63-P294 HydrophobicContact CD1-CG 4.04Å; L63-S296 VanDerWaalsContact CB-OG 3.32Å; L63-S296 WeakPolarHBondContact CB-OG 3.46Å; L63-S296 CarbonylContact O-C 3.6Å; L63-S296 WeakPolarHBondContact O-CA 3.39Å; L63-Y297 PolarHBondContact O-N 2.73Å
64	R	98.7	Very high	98.2	Very high	63 Å²	63	29.9 Å²	29.9	24%	0.238	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-115.5	125.4	172	-176	176.7	-173.5	-151.7	1.1	110.3	S66 G67 G68 V70 Y297 G299	R64-S66 VanDerWaalsContact C-N 3.25Å; R64-S66 VanDerWaalsContact CZ-OG 3.26Å; R64-S66 PolarHBondContact NE-OG 3.32Å; R64-S66 VanDerWaalsContact NE-OG 3.07Å; R64-S66 PolarHBondContact O-N 3.23Å; R64-G67 WeakPolarHBondContact CD-O 3.26Å; R64-G67 PolarHBondContact O-N 3.48Å; R64-G68 PolarHBondContact N-O 2.84Å; R64-V70 HydrophobicContact CB-CG1 4.4Å; R64-V70 HydrophobicContact CG-CG1 4.46Å; R64-Y297 HydrophobicContact CG-CD1 4.21Å; R64-G299 PolarHBondContact NE-O 3.04Å; R64-G299 PolarHBondContact NH2-O 3.02Å; R64-G299 PolarHBondContact NH2-OXT 3.33Å
65	Q	98.1	Very high	98.3	Very high	140 Å²	140	30.2 Å²	30.2	65%	0.654	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.8	-173.4	-173.7	63	50.2	0	0	112.7	G67 Y297	Q65-G67 PolarHBondContact O-N 2.81Å; Q65-Y297 WeakPolarHBondContact CB-O 3.38Å; Q65-Y297 PolarHBondContact N-O 3.48Å
66	S	97	Very high	98.4	Very high	83 Å²	83	28 Å²	28	58%	0.58	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	3.2	177.6	69.7	0	0	0	0	114.1	R64	R64-S66 VanDerWaalsContact C-N 3.25Å; R64-S66 VanDerWaalsContact CZ-OG 3.26Å; R64-S66 PolarHBondContact NE-OG 3.32Å; R64-S66 VanDerWaalsContact NE-OG 3.07Å; R64-S66 PolarHBondContact O-N 3.23Å
67	G	96	Very high	98.5	Very high	44 Å²	44	26.8 Å²	26.8	45%	0.454	16%	0.16	S	C	.	.	S	Bend	trans	104.9	150.4	-175	0	0	0	0	0	113.3	R64 Q65	R64-G67 WeakPolarHBondContact CD-O 3.26Å; R64-G67 PolarHBondContact O-N 3.48Å; Q65-G67 PolarHBondContact O-N 2.81Å
68	G	97	Very high	98.5	Very high	28 Å²	28	25.7 Å²	25.7	29%	0.289	15%	0.153	S	C	.	.	S	Bend	trans	72.5	-150.5	-173.5	0	0	0	0	0	112.6	R64	R64-G68 PolarHBondContact N-O 2.84Å
69	Y	98.8	Very high	98.5	Very high	11 Å²	11	26.1 Å²	26.1	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	167.1	-174.3	-51.3	-67.9	0	0	0	111.5	E23 L30 R41 A62 L63 L80 W82	E23-Y69 VanDerWaalsContact OE1-CE1 3.26Å; E23-Y69 WeakPolarHBondContact OE1-CE1 3.45Å; E23-Y69 PolarHBondContact OE1-OH 3.35Å; E23-Y69 PolarHBondContact OE2-OH 3.15Å; L30-Y69 HydrophobicContact CD1-CE1 3.91Å; L30-Y69 HydrophobicContact CD2-CD1 3.57Å; L30-Y69 HydrophobicContact CD2-CD2 4.13Å; L30-Y69 HydrophobicContact CD2-CE1 3.45Å; L30-Y69 VanDerWaalsContact CD2-CE1 3.45Å; L30-Y69 HydrophobicContact CD2-CE2 3.99Å; L30-Y69 HydrophobicContact CD2-CG 3.93Å; L30-Y69 HydrophobicContact CG-CE1 4.3Å; R41-Y69 WeakPolarHBondContact CD-OH 3.38Å; R41-Y69 PolarHBondContact NE-OH 3.04Å; A62-Y69 WeakPolarHBondContact O-CA 3.43Å; A62-Y69 WeakPolarHBondContact O-CB 3.47Å; L63-Y69 HydrophobicContact CD2-CD1 4.05Å; L63-Y69 HydrophobicContact CD2-CE1 3.84Å; Y69-L80 HydrophobicContact CD2-CD2 4.2Å; Y69-L80 PolarHBondContact N-O 2.85Å; Y69-L80 VanDerWaalsContact N-O 3.1Å; Y69-L80 PolarHBondContact O-N 2.66Å; Y69-W82 HydrophobicContact CD2-CB 4.28Å; Y69-W82 HydrophobicContact CD2-CD2 4.42Å; Y69-W82 AromaticContact CD2-CE3 3.84Å; Y69-W82 HydrophobicContact CD2-CE3 3.84Å; Y69-W82 HydrophobicContact CE2-CB 3.88Å; Y69-W82 AromaticContact CE2-CD2 3.9Å; Y69-W82 HydrophobicContact CE2-CD2 3.9Å; Y69-W82 AromaticContact CE2-CE3 3.72Å; Y69-W82 HydrophobicContact CE2-CE3 3.72Å; Y69-W82 AromaticContact CE2-CG 3.98Å; Y69-W82 HydrophobicContact CE2-CG 3.98Å
70	V	98.9	Very high	98.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.9	159.5	-70.7	0	0	0	0	109.4	V61 A62 R64 C78 L90 Y113 Y297	V61-V70 CarbonylContact C-O 3.51Å; V61-V70 WeakPolarHBondContact CA-O 3.15Å; A62-V70 HydrophobicContact CB-CG2 3.95Å; A62-V70 PolarHBondContact N-O 2.86Å; A62-V70 PolarHBondContact O-N 3.28Å; R64-V70 HydrophobicContact CB-CG1 4.4Å; R64-V70 HydrophobicContact CG-CG1 4.46Å; V70-C78 CarbonylContact C-O 3.55Å; V70-C78 VanDerWaalsContact CA-O 3.22Å; V70-C78 WeakPolarHBondContact CA-O 3.23Å; V70-L90 HydrophobicContact CG1-CD1 4.18Å; V70-Y113 HydrophobicContact CB-CD2 3.87Å; V70-Y113 HydrophobicContact CB-CE2 3.81Å; V70-Y113 HydrophobicContact CG2-CD2 3.46Å; V70-Y113 VanDerWaalsContact CG2-CD2 3.46Å; V70-Y113 HydrophobicContact CG2-CE2 3.54Å; V70-Y113 HydrophobicContact CG2-CG 4.18Å; V70-Y297 HydrophobicContact CB-CD1 4.5Å; V70-Y297 HydrophobicContact CG1-CD1 3.42Å; V70-Y297 VanDerWaalsContact CG1-CD1 3.42Å; V70-Y297 HydrophobicContact CG1-CE1 3.99Å; V70-Y297 HydrophobicContact CG1-CG 4.05Å; V70-Y297 HydrophobicContact CG2-CD1 4.38Å; V70-Y297 HydrophobicContact CG2-CG 4.17Å
71	A	98.9	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156	-179.6	0	0	0	0	0	111.3	L39 V58 S60 I73 C78	L39-A71 HydrophobicContact CD2-CB 3.8Å; V58-A71 HydrophobicContact CG1-CB 4.12Å; S60-A71 VanDerWaalsContact O-CA 3.25Å; S60-A71 WeakPolarHBondContact O-CA 3.42Å; S60-A71 WeakPolarHBondContact O-CB 3.3Å; A71-I73 HydrophobicContact CB-CG1 4.25Å; A71-C78 PolarHBondContact N-O 2.94Å; A71-C78 PolarHBondContact O-N 2.76Å
72	T	98.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114	169.7	49.6	0	0	0	0	110.4	V58 S59 S60 K76 F77 F102 Y113 A115	V58-T72 WeakPolarHBondContact CA-O 3.22Å; S59-T72 PolarHBondContact N-O 3.35Å; S59-T72 PolarHBondContact OG-OG1 2.89Å; S60-T72 PolarHBondContact N-OG1 2.79Å; S60-T72 PolarHBondContact O-N 2.77Å; S60-T72 PolarHBondContact OG-OG1 2.8Å; T72-K76 CarbonylContact C-O 3.45Å; T72-K76 WeakPolarHBondContact CA-O 3.34Å; T72-F77 HydrophobicContact CG2-CD1 3.82Å; T72-F77 HydrophobicContact CG2-CE1 3.81Å; T72-F102 HydrophobicContact CG2-CB 4.02Å; T72-F102 HydrophobicContact CG2-CD1 4.11Å; T72-F102 HydrophobicContact CG2-CD2 3.69Å; T72-F102 HydrophobicContact CG2-CE2 4.12Å; T72-F102 HydrophobicContact CG2-CG 3.69Å; T72-Y113 HydrophobicContact CG2-CE2 4.17Å; T72-Y113 PolarHBondContact N-OH 2.79Å; T72-A115 HydrophobicContact CG2-CB 3.66Å
73	I	98.7	Very high	98	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.1	-174.3	-51.8	175.6	0	0	0	108.6	M54 A56 P57 V58 A71 T75 K76 C78 A87	M54-I73 HydrophobicContact CB-CG2 4.09Å; M54-I73 HydrophobicContact CG-CD1 3.83Å; M54-I73 HydrophobicContact CG-CG1 4.44Å; M54-I73 HydrophobicContact CG-CG2 4.5Å; M54-I73 HydrophobicContact SD-CD1 3.75Å; A56-I73 HydrophobicContact CB-CG2 4.06Å; P57-I73 CarbonylContact O-C 3.17Å; P57-I73 WeakPolarHBondContact O-CA 3.23Å; V58-I73 HydrophobicContact CG1-CG1 4.13Å; V58-I73 HydrophobicContact CG2-CG1 4.17Å; V58-I73 HydrophobicContact CG2-CG2 4.39Å; A71-I73 HydrophobicContact CB-CG1 4.25Å; I73-T75 PolarHBondContact O-N 3.22Å; I73-K76 PolarHBondContact N-O 3.2Å; I73-K76 WeakPolarHBondContact O-CB 3.29Å; I73-K76 PolarHBondContact O-N 3.29Å; I73-C78 HydrophobicContact CD1-CB 3.81Å; I73-C78 HydrophobicContact CG1-CB 4.31Å; I73-A87 HydrophobicContact CD1-CB 4.16Å
74	G	98.6	Very high	97.9	Very high	14 Å²	14	42.2 Å²	42.2	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-121.9	-166.8	0	0	0	0	0	110.5	P57 F102	P57-G74 PolarHBondContact O-N 2.89Å; G74-F102 WeakPolarHBondContact O-CD2 3.38Å; G74-F102 PolarHBondContact O-N 3.43Å
75	T	98.9	Very high	97.7	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.172	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	23.7	172.5	58.9	0	0	0	0	113.3	I73 T92 V93 D94 N100 F102	I73-T75 PolarHBondContact O-N 3.22Å; T75-T92 WeakPolarHBondContact O-CA 3.29Å; T75-V93 WeakPolarHBondContact CB-O 3.22Å; T75-V93 PolarHBondContact O-N 3.44Å; T75-V93 PolarHBondContact OG1-O 3.15Å; T75-D94 HydrophobicContact CG2-CB 4.26Å; T75-N100 HydrophobicContact CG2-CB 4.1Å; T75-N100 WeakPolarHBondContact CG2-O 3.44Å; T75-F102 WeakPolarHBondContact O-CE2 3.16Å
76	K	98.9	Very high	97.5	Very high	80 Å²	80	40.3 Å²	40.3	35%	0.348	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135	-176.4	-55.3	172.5	-174.4	171.9	0	111	T72 I73 V89 A91 T92	T72-K76 CarbonylContact C-O 3.45Å; T72-K76 WeakPolarHBondContact CA-O 3.34Å; I73-K76 PolarHBondContact N-O 3.2Å; I73-K76 WeakPolarHBondContact O-CB 3.29Å; I73-K76 PolarHBondContact O-N 3.29Å; K76-V89 HydrophobicContact CB-CG1 4.24Å; K76-V89 HydrophobicContact CD-CG1 4.32Å; K76-V89 HydrophobicContact CD-CG2 3.85Å; K76-V89 HydrophobicContact CG-CG1 4.39Å; K76-A91 CarbonylContact C-O 3.54Å; K76-A91 WeakPolarHBondContact CA-O 3.24Å; K76-T92 HydrophobicContact CG-CG2 4.15Å
77	F	98.9	Very high	97.5	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.6	158.3	-71.4	-76.8	0	0	0	108.6	T72 L90 A91 V93 F102 Y113 A115 L137 V143	T72-F77 HydrophobicContact CG2-CD1 3.82Å; T72-F77 HydrophobicContact CG2-CE1 3.81Å; F77-L90 HydrophobicContact CB-CB 4.46Å; F77-L90 PolarHBondContact O-N 3.47Å; F77-A91 HydrophobicContact CD2-CB 4.42Å; F77-A91 PolarHBondContact N-O 2.95Å; F77-A91 PolarHBondContact O-N 2.88Å; F77-V93 HydrophobicContact CE2-CG1 4.4Å; F77-F102 HydrophobicContact CD2-CE2 4.13Å; F77-F102 AromaticContact CD2-CZ 3.79Å; F77-F102 HydrophobicContact CD2-CZ 3.79Å; F77-F102 HydrophobicContact CE1-CZ 4.24Å; F77-F102 HydrophobicContact CE2-CE1 4.03Å; F77-F102 HydrophobicContact CE2-CE2 4.14Å; F77-F102 AromaticContact CE2-CZ 3.36Å; F77-F102 HydrophobicContact CE2-CZ 3.36Å; F77-F102 HydrophobicContact CG-CE2 4.43Å; F77-F102 HydrophobicContact CG-CZ 4.4Å; F77-F102 AromaticContact CZ-CE1 3.86Å; F77-F102 HydrophobicContact CZ-CE1 3.86Å; F77-F102 HydrophobicContact CZ-CE2 4.43Å; F77-F102 AromaticContact CZ-CZ 3.61Å; F77-F102 HydrophobicContact CZ-CZ 3.61Å; F77-Y113 AromaticContact CD1-CD2 3.55Å; F77-Y113 HydrophobicContact CD1-CD2 3.55Å; F77-Y113 AromaticContact CD1-CE2 3.8Å; F77-Y113 HydrophobicContact CD1-CE2 3.8Å; F77-Y113 HydrophobicContact CD1-CG 4.17Å; F77-Y113 HydrophobicContact CE1-CD1 4.38Å; F77-Y113 AromaticContact CE1-CD2 3.78Å; F77-Y113 HydrophobicContact CE1-CD2 3.78Å; F77-Y113 HydrophobicContact CE1-CE2 4.11Å; F77-Y113 AromaticContact CE1-CG 3.94Å; F77-Y113 HydrophobicContact CE1-CG 3.94Å; F77-A115 HydrophobicContact CE1-CB 3.74Å; F77-A115 HydrophobicContact CZ-CB 3.91Å; F77-L137 HydrophobicContact CB-CD2 3.87Å; F77-L137 HydrophobicContact CD1-CB 4.14Å; F77-L137 HydrophobicContact CD1-CD2 4.35Å; F77-L137 HydrophobicContact CD2-CB 4.11Å; F77-L137 HydrophobicContact CD2-CD1 4.49Å; F77-L137 HydrophobicContact CE1-CB 4.21Å; F77-L137 HydrophobicContact CE2-CB 4.17Å; F77-L137 HydrophobicContact CG-CB 4.09Å; F77-L137 HydrophobicContact CG-CD2 4.1Å; F77-L137 HydrophobicContact CZ-CB 4.23Å; F77-V143 HydrophobicContact CD2-CG2 4.23Å; F77-V143 HydrophobicContact CE2-CG1 4.49Å; F77-V143 HydrophobicContact CE2-CG2 4.32Å
78	C	98.9	Very high	97.6	Very high	5 Å²	5	41 Å²	41	3%	0.034	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.3	-177.4	-63.5	0	0	0	0	111	V70 A71 I73 A87 V88	V70-C78 CarbonylContact C-O 3.55Å; V70-C78 VanDerWaalsContact CA-O 3.22Å; V70-C78 WeakPolarHBondContact CA-O 3.23Å; A71-C78 PolarHBondContact N-O 2.94Å; A71-C78 PolarHBondContact O-N 2.76Å; I73-C78 HydrophobicContact CD1-CB 3.81Å; I73-C78 HydrophobicContact CG1-CB 4.31Å; C78-A87 HydrophobicContact CB-CB 4.36Å; C78-V88 CarbonylContact C-O 3.53Å; C78-V88 WeakPolarHBondContact CA-O 3.44Å
79	A	98.7	Very high	97.7	Very high	9 Å²	9	43.1 Å²	43.1	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.8	161	0	0	0	0	0	109.1	A87 V88 L90	A79-A87 CarbonylContact O-C 3.59Å; A79-A87 VanDerWaalsContact O-CA 3.27Å; A79-A87 WeakPolarHBondContact O-CA 3.46Å; A79-V88 PolarHBondContact N-O 3.3Å; A79-V88 PolarHBondContact O-N 2.76Å; A79-L90 HydrophobicContact CB-CD1 4.09Å; A79-L90 HydrophobicContact CB-CD2 3.98Å; A79-L90 HydrophobicContact CB-CG 4.17Å
80	L	98	Very high	97.7	Very high	6 Å²	6	44 Å²	44	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.3	-178.9	-175.6	74.6	0	0	0	110.2	L39 M54 Y69 W82 S86 A87	L39-L80 HydrophobicContact CD1-CD2 4.25Å; L39-L80 HydrophobicContact CD2-CD2 3.89Å; M54-L80 HydrophobicContact CE-CD1 3.73Å; Y69-L80 HydrophobicContact CD2-CD2 4.2Å; Y69-L80 PolarHBondContact N-O 2.85Å; Y69-L80 VanDerWaalsContact N-O 3.1Å; Y69-L80 PolarHBondContact O-N 2.66Å; L80-W82 HydrophobicContact CD2-CE3 3.76Å; L80-W82 HydrophobicContact CD2-CZ3 4.05Å; L80-S86 WeakPolarHBondContact CA-O 3.18Å; L80-S86 WeakPolarHBondContact CD1-O 3.3Å; L80-A87 HydrophobicContact CD1-CB 4.3Å
81	N	96.6	Very high	97.7	Very high	53 Å²	53	44.9 Å²	44.9	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.3	163.4	-178.1	-32.9	0	0	0	108	E83 E84 Q85 S86	N81-E83 PolarHBondContact OD1-N 2.8Å; N81-E83 PolarHBondContact OD1-OE2 2.82Å; N81-E84 HydrophobicContact CB-CB 4.21Å; N81-E84 WeakPolarHBondContact ND2-CG 3.38Å; N81-E84 PolarHBondContact ND2-OE1 3.33Å; N81-E84 PolarHBondContact ND2-OE2 2.97Å; N81-E84 PolarHBondContact OD1-N 2.81Å; N81-Q85 WeakPolarHBondContact O-CA 3.14Å; N81-Q85 PolarHBondContact O-N 2.95Å; N81-S86 PolarHBondContact N-O 2.66Å; N81-S86 PolarHBondContact O-N 2.83Å
82	W	96.3	Very high	97.7	Very high	20 Å²	20	47.3 Å²	47.3	8%	0.076	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-40.9	-172.9	-169	-102.5	0	0	0	112.1	L39 R41 Q50 V52 Y69 L80 Q85	L39-W82 HydrophobicContact CB-CH2 4.46Å; L39-W82 HydrophobicContact CB-CZ3 4.01Å; R41-W82 HydrophobicContact CB-CH2 3.74Å; R41-W82 HydrophobicContact CB-CZ2 3.49Å; R41-W82 VanDerWaalsContact CB-CZ2 3.49Å; Q50-W82 HydrophobicContact CB-CZ2 3.67Å; V52-W82 HydrophobicContact CB-CZ3 4.42Å; V52-W82 HydrophobicContact CG2-CD2 4.14Å; V52-W82 HydrophobicContact CG2-CE3 3.8Å; V52-W82 HydrophobicContact CG2-CH2 3.76Å; V52-W82 HydrophobicContact CG2-CZ2 4.07Å; V52-W82 HydrophobicContact CG2-CZ3 3.62Å; Y69-W82 HydrophobicContact CD2-CB 4.28Å; Y69-W82 HydrophobicContact CD2-CD2 4.42Å; Y69-W82 AromaticContact CD2-CE3 3.84Å; Y69-W82 HydrophobicContact CD2-CE3 3.84Å; Y69-W82 HydrophobicContact CE2-CB 3.88Å; Y69-W82 AromaticContact CE2-CD2 3.9Å; Y69-W82 HydrophobicContact CE2-CD2 3.9Å; Y69-W82 AromaticContact CE2-CE3 3.72Å; Y69-W82 HydrophobicContact CE2-CE3 3.72Å; Y69-W82 AromaticContact CE2-CG 3.98Å; Y69-W82 HydrophobicContact CE2-CG 3.98Å; L80-W82 HydrophobicContact CD2-CE3 3.76Å; L80-W82 HydrophobicContact CD2-CZ3 4.05Å; W82-Q85 PolarHBondContact O-N 2.79Å
83	E	95.2	Very high	97.7	Very high	154 Å²	154	47.7 Å²	47.7	72%	0.72	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-41.8	-178.8	-67.9	68.6	-154.3	0	0	111.5	N81 Q85	N81-E83 PolarHBondContact OD1-N 2.8Å; N81-E83 PolarHBondContact OD1-OE2 2.82Å; E83-Q85 VanDerWaalsContact C-N 3.34Å
84	E	95.5	Very high	97.7	Very high	138 Å²	138	47.7 Å²	47.7	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.3	177.6	-66.9	179.3	-177.7	0	0	113.5	N81 S86	N81-E84 HydrophobicContact CB-CB 4.21Å; N81-E84 WeakPolarHBondContact ND2-CG 3.38Å; N81-E84 PolarHBondContact ND2-OE1 3.33Å; N81-E84 PolarHBondContact ND2-OE2 2.97Å; N81-E84 PolarHBondContact OD1-N 2.81Å; E84-S86 PolarHBondContact O-N 2.82Å; E84-S86 PolarHBondContact OE2-OG 2.98Å
85	Q	94.6	Very high	97.7	Very high	124 Å²	124	53.2 Å²	53.2	58%	0.579	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.7	-171.6	-61.8	-171.8	29.1	0	0	112.4	V52 N81 W82 E83	V52-Q85 HydrophobicContact CG1-CB 3.72Å; V52-Q85 HydrophobicContact CG1-CG 3.94Å; V52-Q85 HydrophobicContact CG2-CG 4.04Å; N81-Q85 WeakPolarHBondContact O-CA 3.14Å; N81-Q85 PolarHBondContact O-N 2.95Å; W82-Q85 PolarHBondContact O-N 2.79Å; E83-Q85 VanDerWaalsContact C-N 3.34Å
86	S	93.8	Very high	97.6	Very high	39 Å²	39	58 Å²	58	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.8	-173.8	72.2	0	0	0	0	111	L80 N81 E84	L80-S86 WeakPolarHBondContact CA-O 3.18Å; L80-S86 WeakPolarHBondContact CD1-O 3.3Å; N81-S86 PolarHBondContact N-O 2.66Å; N81-S86 PolarHBondContact O-N 2.83Å; E84-S86 PolarHBondContact O-N 2.82Å; E84-S86 PolarHBondContact OE2-OG 2.98Å
87	A	97.7	Very high	97.6	Very high	47 Å²	47	57 Å²	57	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.4	178.6	0	0	0	0	0	110.9	M54 I73 C78 A79 L80	M54-A87 HydrophobicContact SD-CB 4.3Å; I73-A87 HydrophobicContact CD1-CB 4.16Å; C78-A87 HydrophobicContact CB-CB 4.36Å; A79-A87 CarbonylContact O-C 3.59Å; A79-A87 VanDerWaalsContact O-CA 3.27Å; A79-A87 WeakPolarHBondContact O-CA 3.46Å; L80-A87 HydrophobicContact CD1-CB 4.3Å
88	V	98.1	Very high	97.5	Very high	94 Å²	94	67.2 Å²	67.2	57%	0.57	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	125.4	174.7	178.8	0	0	0	0	108.7	C78 A79 L90	C78-V88 CarbonylContact C-O 3.53Å; C78-V88 WeakPolarHBondContact CA-O 3.44Å; A79-V88 PolarHBondContact N-O 3.3Å; A79-V88 PolarHBondContact O-N 2.76Å; V88-L90 PolarHBondContact O-N 2.91Å
89	V	98.7	Very high	97.5	Very high	73 Å²	73	72 Å²	72	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.9	176.9	-178.4	0	0	0	0	109.5	K76	K76-V89 HydrophobicContact CB-CG1 4.24Å; K76-V89 HydrophobicContact CD-CG1 4.32Å; K76-V89 HydrophobicContact CD-CG2 3.85Å; K76-V89 HydrophobicContact CG-CG1 4.39Å
90	L	98.7	Very high	97.5	Very high	31 Å²	31	72.5 Å²	72.5	16%	0.162	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-42.5	174.7	-56.6	-179.5	0	0	0	110.8	V70 F77 A79 V88 L137 Y297	V70-L90 HydrophobicContact CG1-CD1 4.18Å; F77-L90 HydrophobicContact CB-CB 4.46Å; F77-L90 PolarHBondContact O-N 3.47Å; A79-L90 HydrophobicContact CB-CD1 4.09Å; A79-L90 HydrophobicContact CB-CD2 3.98Å; A79-L90 HydrophobicContact CB-CG 4.17Å; V88-L90 PolarHBondContact O-N 2.91Å; L90-L137 HydrophobicContact CB-CD2 4.05Å; L90-L137 HydrophobicContact CD1-CD2 3.66Å; L90-Y297 HydrophobicContact CD1-CE1 4.04Å
91	A	98.8	Very high	97.5	Very high	18 Å²	18	73 Å²	73	15%	0.149	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.9	177.8	0	0	0	0	0	111.9	K76 F77 L137 V143	K76-A91 CarbonylContact C-O 3.54Å; K76-A91 WeakPolarHBondContact CA-O 3.24Å; F77-A91 HydrophobicContact CD2-CB 4.42Å; F77-A91 PolarHBondContact N-O 2.95Å; F77-A91 PolarHBondContact O-N 2.88Å; A91-L137 HydrophobicContact CB-CD1 3.89Å; A91-V143 HydrophobicContact CB-CG2 3.33Å
92	T	98.8	Very high	97.6	Very high	53 Å²	53	70.4 Å²	70.4	33%	0.325	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.9	176.6	-51.6	0	0	0	0	110	T75 K76 N95	T75-T92 WeakPolarHBondContact O-CA 3.29Å; K76-T92 HydrophobicContact CG-CG2 4.15Å; T92-N95 WeakPolarHBondContact CG2-OD1 3.31Å
93	V	98.9	Very high	97.7	Very high	7 Å²	7	69.8 Å²	69.8	4%	0.042	37%	0.365	C	S	.	.			trans	-115.4	173.9	175.8	-56.9	0	0	0	0	111.4	T75 F77 N95 F102 T117 Y135 V143	T75-V93 WeakPolarHBondContact CB-O 3.22Å; T75-V93 PolarHBondContact O-N 3.44Å; T75-V93 PolarHBondContact OG1-O 3.15Å; F77-V93 HydrophobicContact CE2-CG1 4.4Å; V93-N95 PolarHBondContact O-N 2.73Å; V93-N95 VanDerWaalsContact O-N 3.09Å; V93-F102 HydrophobicContact CB-CZ 4.33Å; V93-F102 HydrophobicContact CG1-CZ 4.09Å; V93-F102 HydrophobicContact CG2-CE1 3.86Å; V93-F102 HydrophobicContact CG2-CE2 3.77Å; V93-F102 HydrophobicContact CG2-CZ 3.29Å; V93-T117 HydrophobicContact CG2-CG2 3.75Å; V93-Y135 HydrophobicContact CB-CD1 4.39Å; V93-Y135 HydrophobicContact CB-CD2 4.16Å; V93-Y135 HydrophobicContact CB-CE1 4.12Å; V93-Y135 HydrophobicContact CB-CE2 3.87Å; V93-Y135 HydrophobicContact CB-CG 4.42Å; V93-Y135 HydrophobicContact CG1-CD1 3.84Å; V93-Y135 HydrophobicContact CG1-CD2 4.11Å; V93-Y135 HydrophobicContact CG1-CE1 4.01Å; V93-Y135 HydrophobicContact CG1-CE2 4.26Å; V93-Y135 HydrophobicContact CG1-CG 3.9Å; V93-Y135 HydrophobicContact CG2-CD2 3.99Å; V93-Y135 HydrophobicContact CG2-CE2 3.81Å; V93-V143 HydrophobicContact CG1-CG1 3.83Å
94	D	98.6	Very high	97.9	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	33%	0.333	C	S	.	.			trans	52.9	34.4	172	-74	3.5	0	0	0	114.4	T75 D96 K97 N100 T117 Y135	T75-D94 HydrophobicContact CG2-CB 4.26Å; D94-D96 PolarHBondContact O-N 2.84Å; D94-D96 VanDerWaalsContact O-N 3.11Å; D94-K97 HydrophobicContact CB-CB 4.02Å; D94-K97 HydrophobicContact CB-CG 3.75Å; D94-K97 WeakPolarHBondContact O-CB 3.4Å; D94-K97 PolarHBondContact O-N 3.43Å; D94-N100 HydrophobicContact CB-CB 4.22Å; D94-N100 PolarHBondContact OD2-ND2 2.96Å; D94-T117 WeakPolarHBondContact OD2-CB 3.23Å; D94-T117 WeakPolarHBondContact OD2-CG2 3.32Å; D94-T117 PolarHBondContact OD2-OG1 3.46Å; D94-Y135 PolarHBondContact OD1-OH 2.91Å
95	N	98.3	Very high	98.1	Very high	131 Å²	131	56.4 Å²	56.4	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22	179.9	-63.1	-75.7	0	0	0	113.2	T92 V93 K97	T92-N95 WeakPolarHBondContact CG2-OD1 3.31Å; V93-N95 PolarHBondContact O-N 2.73Å; V93-N95 VanDerWaalsContact O-N 3.09Å; N95-K97 VanDerWaalsContact C-N 3.35Å
96	D	98.4	Very high	98.3	Very high	127 Å²	127	52.9 Å²	52.9	68%	0.679	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.6	175.3	62.7	-57.4	0	0	0	113.4	D94	D94-D96 PolarHBondContact O-N 2.84Å; D94-D96 VanDerWaalsContact O-N 3.11Å
97	K	98.2	Very high	98.5	Very high	59 Å²	59	51.1 Å²	51.1	26%	0.257	28%	0.275	S	S	.	.			trans	-95.2	130.2	-178.8	-56.1	-63.9	-170	172.4	0	110.4	D94 N95 N100 Q131	D94-K97 HydrophobicContact CB-CB 4.02Å; D94-K97 HydrophobicContact CB-CG 3.75Å; D94-K97 WeakPolarHBondContact O-CB 3.4Å; D94-K97 PolarHBondContact O-N 3.43Å; N95-K97 VanDerWaalsContact C-N 3.35Å; K97-N100 HydrophobicContact CB-CB 3.83Å; K97-N100 HydrophobicContact CG-CB 4.43Å; K97-Q131 WeakPolarHBondContact CE-O 3.33Å
98	K	97.2	Very high	98.6	Very high	217 Å²	217	48.9 Å²	48.9	94%	0.943	26%	0.256	S	S	*	.	S	Bend	trans	-73.3	-29	-175.3	-66.7	-176.5	179.1	177.9	0	114
99	N	97.6	Very high	98.6	Very high	104 Å²	104	45.4 Å²	45.4	56%	0.556	24%	0.235	S	C	*	.	S	Bend	trans	-149.3	40.9	-166.8	-162.1	39.2	0	0	0	111.8	E120	N99-E120 WeakPolarHBondContact O-CB 3.34Å; N99-E120 PolarHBondContact O-N 3.01Å
100	N	98.7	Very high	98.6	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	156.8	174.6	-84.4	28.5	0	0	0	111.3	T75 D94 K97 M118 A119 Q131	T75-N100 HydrophobicContact CG2-CB 4.1Å; T75-N100 WeakPolarHBondContact CG2-O 3.44Å; D94-N100 HydrophobicContact CB-CB 4.22Å; D94-N100 PolarHBondContact OD2-ND2 2.96Å; K97-N100 HydrophobicContact CB-CB 3.83Å; K97-N100 HydrophobicContact CG-CB 4.43Å; N100-M118 VanDerWaalsContact CA-O 3.22Å; N100-M118 WeakPolarHBondContact CA-O 3.32Å; N100-M118 WeakPolarHBondContact CB-O 3.49Å; N100-A119 WeakPolarHBondContact OD1-CA 3.46Å; N100-Q131 PolarHBondContact ND2-O 2.77Å
101	R	98.8	Very high	98.6	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.06	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.4	162.8	61	164.2	177.3	88.7	-1.4	109.8	N103 T117 M118 E120 E121	R101-N103 PolarHBondContact NH1-OD1 2.8Å; R101-T117 CarbonylContact O-C 3.58Å; R101-T117 WeakPolarHBondContact O-CA 3.25Å; R101-T117 WeakPolarHBondContact O-CB 3.29Å; R101-M118 HydrophobicContact CG-CG 4.25Å; R101-M118 VanDerWaalsContact CZ-SD 3.53Å; R101-M118 PolarHBondContact N-O 2.95Å; R101-M118 PolarHBondContact NH2-SD 2.95Å; R101-M118 PolarHBondContact O-N 2.78Å; R101-E120 HydrophobicContact CB-CG 4.36Å; R101-E120 WeakPolarHBondContact CD-OE1 3.49Å; R101-E120 VanDerWaalsContact CD-OE2 3.3Å; R101-E120 WeakPolarHBondContact CD-OE2 3.35Å; R101-E120 HydrophobicContact CG-CG 3.96Å; R101-E120 IonicContact NE-OE1 2.84Å; R101-E120 IonicContact NE-OE2 2.89Å; R101-E120 PolarHBondContact NE-OE2 2.86Å; R101-E121 IonicContact NH2-OE2 3.21Å
102	F	98.9	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	157.6	159.3	-79.3	-66.4	0	0	0	110.9	S59 T72 G74 T75 F77 V93 A115 G116 T117 Y135	S59-F102 WeakPolarHBondContact CB-O 3.46Å; S59-F102 VanDerWaalsContact OG-CB 3.26Å; S59-F102 WeakPolarHBondContact OG-CB 3.42Å; S59-F102 PolarHBondContact OG-O 2.66Å; T72-F102 HydrophobicContact CG2-CB 4.02Å; T72-F102 HydrophobicContact CG2-CD1 4.11Å; T72-F102 HydrophobicContact CG2-CD2 3.69Å; T72-F102 HydrophobicContact CG2-CE2 4.12Å; T72-F102 HydrophobicContact CG2-CG 3.69Å; G74-F102 WeakPolarHBondContact O-CD2 3.38Å; G74-F102 PolarHBondContact O-N 3.43Å; T75-F102 WeakPolarHBondContact O-CE2 3.16Å; F77-F102 HydrophobicContact CD2-CE2 4.13Å; F77-F102 AromaticContact CD2-CZ 3.79Å; F77-F102 HydrophobicContact CD2-CZ 3.79Å; F77-F102 HydrophobicContact CE1-CZ 4.24Å; F77-F102 HydrophobicContact CE2-CE1 4.03Å; F77-F102 HydrophobicContact CE2-CE2 4.14Å; F77-F102 AromaticContact CE2-CZ 3.36Å; F77-F102 HydrophobicContact CE2-CZ 3.36Å; F77-F102 HydrophobicContact CG-CE2 4.43Å; F77-F102 HydrophobicContact CG-CZ 4.4Å; F77-F102 AromaticContact CZ-CE1 3.86Å; F77-F102 HydrophobicContact CZ-CE1 3.86Å; F77-F102 HydrophobicContact CZ-CE2 4.43Å; F77-F102 AromaticContact CZ-CZ 3.61Å; F77-F102 HydrophobicContact CZ-CZ 3.61Å; V93-F102 HydrophobicContact CB-CZ 4.33Å; V93-F102 HydrophobicContact CG1-CZ 4.09Å; V93-F102 HydrophobicContact CG2-CE1 3.86Å; V93-F102 HydrophobicContact CG2-CE2 3.77Å; V93-F102 HydrophobicContact CG2-CZ 3.29Å; F102-A115 HydrophobicContact CD1-CB 3.72Å; F102-A115 HydrophobicContact CE1-CB 3.86Å; F102-G116 WeakPolarHBondContact CA-O 3.46Å; F102-G116 WeakPolarHBondContact CD1-O 3.37Å; F102-T117 HydrophobicContact CD1-CG2 3.62Å; F102-T117 HydrophobicContact CE1-CG2 3.77Å; F102-T117 HydrophobicContact CG-CG2 4.14Å; F102-T117 HydrophobicContact CZ-CG2 4.42Å; F102-Y135 HydrophobicContact CE1-CD2 4.14Å
103	N	98.8	Very high	98.6	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-117.8	169.1	-164.6	58.8	0	0	0	109.4	S59 R101 G116 M118 S153 N154	S59-N103 CarbonylContact C-O 3.55Å; S59-N103 WeakPolarHBondContact CB-O 3.36Å; S59-N103 PolarHBondContact OG-N 2.93Å; S59-N103 PolarHBondContact OG-O 2.85Å; R101-N103 PolarHBondContact NH1-OD1 2.8Å; N103-G116 PolarHBondContact N-O 3.38Å; N103-M118 HydrophobicContact CB-CG 4.13Å; N103-M118 HydrophobicContact CB-SD 3.63Å; N103-M118 VanDerWaalsContact CG-SD 3.59Å; N103-S153 WeakPolarHBondContact CB-O 3.09Å; N103-S153 PolarHBondContact ND2-O 2.85Å; N103-N154 PolarHBondContact ND2-ND2 2.77Å
104	D	98.7	Very high	98.6	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	153.6	-178.8	-159.7	13.5	0	0	0	112.6	A115 G116 S153 G155 L156	D104-A115 WeakPolarHBondContact O-CA 3.38Å; D104-G116 PolarHBondContact O-N 3.03Å; D104-S153 PolarHBondContact N-O 2.93Å; D104-G155 VanDerWaalsContact OD2-CA 3.26Å; D104-G155 WeakPolarHBondContact OD2-CA 3.35Å; D104-G155 PolarHBondContact OD2-N 3.44Å; D104-L156 HydrophobicContact CB-CD2 4.46Å; D104-L156 WeakPolarHBondContact OD2-CD2 3.34Å
105	G	98.9	Very high	98.6	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	145.5	-179.7	0	0	0	0	0	112.8	F114	G105-F114 CarbonylContact C-O 3.52Å; G105-F114 WeakPolarHBondContact CA-O 3.23Å
106	K	98.9	Very high	98.7	Very high	50 Å²	50	33 Å²	33	22%	0.217	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151.6	-178.9	-166.2	176.8	-76	168.3	0	110.7	F114 L156 D157 W158 M206	K106-F114 PolarHBondContact N-O 3.17Å; K106-F114 WeakPolarHBondContact O-CB 3.08Å; K106-F114 PolarHBondContact O-N 3.34Å; K106-L156 HydrophobicContact CB-CD1 4.34Å; K106-L156 HydrophobicContact CB-CD2 3.66Å; K106-L156 HydrophobicContact CB-CG 3.86Å; K106-L156 WeakPolarHBondContact CD-O 3.41Å; K106-L156 WeakPolarHBondContact CE-O 3.05Å; K106-L156 PolarHBondContact NZ-O 2.86Å; K106-D157 IonicContact NZ-OD2 3.52Å; K106-D157 PolarHBondContact NZ-OD2 2.92Å; K106-W158 HydrophobicContact CB-CH2 4.27Å; K106-W158 HydrophobicContact CB-CZ3 4.07Å; K106-W158 HydrophobicContact CD-CZ3 3.97Å; K106-W158 HydrophobicContact CG-CZ3 3.92Å; K106-M206 PolarHBondContact NZ-O 3.48Å
107	V	99	Very high	98.7	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.8	176.7	-179.7	0	0	0	0	110.6	A62 R112 Y113 W158	A62-V107 HydrophobicContact CB-CG2 3.54Å; V107-R112 CarbonylContact C-O 3.5Å; V107-R112 VanDerWaalsContact CA-O 3.3Å; V107-R112 WeakPolarHBondContact CA-O 3.5Å; V107-Y113 HydrophobicContact CG2-CD1 4.2Å; V107-Y113 HydrophobicContact CG2-CG 4.33Å; V107-W158 VanDerWaalsContact O-CZ3 3.22Å; V107-W158 WeakPolarHBondContact O-CZ3 3.46Å
108	D	98.9	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.			trans	-75.1	170	179.2	84.3	0.6	0	0	0	112.9	A110 G111 R112 F114 W158 Y180 Y295	D108-A110 PolarHBondContact O-N 2.91Å; D108-A110 VanDerWaalsContact OD1-CA 3.27Å; D108-A110 WeakPolarHBondContact OD1-CA 3.3Å; D108-A110 PolarHBondContact OD1-N 3.31Å; D108-G111 PolarHBondContact O-N 3.45Å; D108-G111 PolarHBondContact OD1-N 2.85Å; D108-R112 PolarHBondContact N-O 2.86Å; D108-R112 PolarHBondContact OD1-N 3.44Å; D108-R112 WeakPolarHBondContact OD2-CB 3.22Å; D108-R112 VanDerWaalsContact OD2-CD 3.3Å; D108-R112 WeakPolarHBondContact OD2-CD 3.42Å; D108-R112 VanDerWaalsContact OD2-CG 3.27Å; D108-R112 WeakPolarHBondContact OD2-CG 3.47Å; D108-R112 IonicContact OD2-CZ 3.73Å; D108-R112 IonicContact OD2-NE 3.52Å; D108-R112 IonicContact OD2-NH1 2.78Å; D108-R112 PolarHBondContact OD2-NH1 2.9Å; D108-F114 HydrophobicContact CB-CD2 3.98Å; D108-F114 HydrophobicContact CB-CE2 3.9Å; D108-F114 WeakPolarHBondContact OD2-CE2 3.23Å; D108-W158 VanDerWaalsContact CA-CH2 3.48Å; D108-W158 HydrophobicContact CB-CD2 4.1Å; D108-W158 VanDerWaalsContact CB-CE2 3.46Å; D108-W158 HydrophobicContact CB-CE3 4.43Å; D108-W158 HydrophobicContact CB-CH2 3.68Å; D108-W158 HydrophobicContact CB-CZ2 3.25Å; D108-W158 HydrophobicContact CB-CZ3 4.24Å; D108-Y180 PolarHBondContact OD2-OH 2.85Å; D108-Y295 WeakPolarHBondContact O-CB 3.34Å
109	P	98.9	Very high	98.8	Very high	21 Å²	21	14 Å²	14	14%	0.136	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.4	178.8	-20.7	30.7	0	0	0	116.3	W158 H162 L182 Y295	P109-W158 HydrophobicContact CG-CB 3.94Å; P109-W158 HydrophobicContact CG-CD2 4.45Å; P109-W158 HydrophobicContact CG-CG 4.05Å; P109-H162 HydrophobicContact CG-CB 4.42Å; P109-H162 VanDerWaalsContact CG-CD2 3.49Å; P109-H162 WeakPolarHBondContact CG-CD2 3.22Å; P109-L182 HydrophobicContact CB-CD1 3.77Å; P109-L182 HydrophobicContact CG-CD1 4.47Å; P109-Y295 HydrophobicContact CB-CD1 4.46Å; P109-Y295 HydrophobicContact CB-CD2 4.28Å; P109-Y295 HydrophobicContact CB-CE1 3.92Å; P109-Y295 HydrophobicContact CB-CE2 3.72Å; P109-Y295 HydrophobicContact CG-CD2 4.2Å; P109-Y295 HydrophobicContact CG-CE2 3.57Å
110	A	98.8	Very high	98.8	Very high	39 Å²	39	11.6 Å²	11.6	32%	0.322	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.2	175	0	0	0	0	0	112.6	D108 R112 L182	D108-A110 PolarHBondContact O-N 2.91Å; D108-A110 VanDerWaalsContact OD1-CA 3.27Å; D108-A110 WeakPolarHBondContact OD1-CA 3.3Å; D108-A110 PolarHBondContact OD1-N 3.31Å; A110-R112 VanDerWaalsContact CB-NH1 3.34Å; A110-L182 HydrophobicContact CB-CD1 3.84Å
111	G	98.8	Very high	98.6	Very high	5 Å²	5	13.9 Å²	13.9	5%	0.052	8%	0.075	C	C	.	.	S	Bend	trans	79.7	21.1	177.4	0	0	0	0	0	115.1	D108 S296 Y297 A298	D108-G111 PolarHBondContact O-N 3.45Å; D108-G111 PolarHBondContact OD1-N 2.85Å; G111-S296 WeakPolarHBondContact CA-O 3.35Å; G111-Y297 WeakPolarHBondContact O-CD2 3.42Å; G111-A298 PolarHBondContact O-N 3.05Å
112	R	98.9	Very high	98.3	Very high	15 Å²	15	19.2 Å²	19.2	6%	0.057	11%	0.109	C	C	.	.			trans	-90.6	134.3	172.6	-45	-177.4	-173.9	88.3	3.4	110	V107 D108 A110 F114 L137 F138 Y180 L182 Q183	V107-R112 CarbonylContact C-O 3.5Å; V107-R112 VanDerWaalsContact CA-O 3.3Å; V107-R112 WeakPolarHBondContact CA-O 3.5Å; D108-R112 PolarHBondContact N-O 2.86Å; D108-R112 PolarHBondContact OD1-N 3.44Å; D108-R112 WeakPolarHBondContact OD2-CB 3.22Å; D108-R112 VanDerWaalsContact OD2-CD 3.3Å; D108-R112 WeakPolarHBondContact OD2-CD 3.42Å; D108-R112 VanDerWaalsContact OD2-CG 3.27Å; D108-R112 WeakPolarHBondContact OD2-CG 3.47Å; D108-R112 IonicContact OD2-CZ 3.73Å; D108-R112 IonicContact OD2-NE 3.52Å; D108-R112 IonicContact OD2-NH1 2.78Å; D108-R112 PolarHBondContact OD2-NH1 2.9Å; A110-R112 VanDerWaalsContact CB-NH1 3.34Å; R112-F114 HydrophobicContact CB-CD2 4.32Å; R112-F114 HydrophobicContact CB-CE2 4.12Å; R112-F114 PolarHBondContact O-N 2.81Å; R112-L137 CarbonylContact C-O 3.32Å; R112-L137 WeakPolarHBondContact CA-O 3.18Å; R112-F138 HydrophobicContact CG-CD1 4.42Å; R112-Y180 PolarHBondContact NH1-OH 3.15Å; R112-L182 PolarHBondContact NH1-O 2.91Å; R112-L182 VanDerWaalsContact NH1-O 3.14Å; R112-L182 PolarHBondContact NH2-O 3.04Å; R112-Q183 VanDerWaalsContact NH2-C 3.32Å; R112-Q183 PolarHBondContact NH2-O 2.87Å
113	Y	99	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	99.9	-179.3	-174.5	11.9	0	0	0	110.5	S60 A62 V70 T72 F77 V107 A115 S136 L137	S60-Y113 PolarHBondContact O-OH 2.91Å; S60-Y113 PolarHBondContact OG-OH 2.84Å; A62-Y113 HydrophobicContact CB-CE1 4.4Å; V70-Y113 HydrophobicContact CB-CD2 3.87Å; V70-Y113 HydrophobicContact CB-CE2 3.81Å; V70-Y113 HydrophobicContact CG2-CD2 3.46Å; V70-Y113 VanDerWaalsContact CG2-CD2 3.46Å; V70-Y113 HydrophobicContact CG2-CE2 3.54Å; V70-Y113 HydrophobicContact CG2-CG 4.18Å; T72-Y113 HydrophobicContact CG2-CE2 4.17Å; T72-Y113 PolarHBondContact N-OH 2.79Å; F77-Y113 AromaticContact CD1-CD2 3.55Å; F77-Y113 HydrophobicContact CD1-CD2 3.55Å; F77-Y113 AromaticContact CD1-CE2 3.8Å; F77-Y113 HydrophobicContact CD1-CE2 3.8Å; F77-Y113 HydrophobicContact CD1-CG 4.17Å; F77-Y113 HydrophobicContact CE1-CD1 4.38Å; F77-Y113 AromaticContact CE1-CD2 3.78Å; F77-Y113 HydrophobicContact CE1-CD2 3.78Å; F77-Y113 HydrophobicContact CE1-CE2 4.11Å; F77-Y113 AromaticContact CE1-CG 3.94Å; F77-Y113 HydrophobicContact CE1-CG 3.94Å; V107-Y113 HydrophobicContact CG2-CD1 4.2Å; V107-Y113 HydrophobicContact CG2-CG 4.33Å; Y113-A115 HydrophobicContact CE1-CB 4.48Å; Y113-S136 CarbonylContact O-C 3.54Å; Y113-S136 VanDerWaalsContact O-CA 3.23Å; Y113-S136 WeakPolarHBondContact O-CA 3.5Å; Y113-L137 PolarHBondContact N-O 2.78Å; Y113-L137 PolarHBondContact O-N 2.84Å
114	F	99	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.8	172.5	-80.3	-117.4	0	0	0	109.9	G105 K106 D108 R112 L134 Y135 S136 Y146 L156 W158 F165 Y180	G105-F114 CarbonylContact C-O 3.52Å; G105-F114 WeakPolarHBondContact CA-O 3.23Å; K106-F114 PolarHBondContact N-O 3.17Å; K106-F114 WeakPolarHBondContact O-CB 3.08Å; K106-F114 PolarHBondContact O-N 3.34Å; D108-F114 HydrophobicContact CB-CD2 3.98Å; D108-F114 HydrophobicContact CB-CE2 3.9Å; D108-F114 WeakPolarHBondContact OD2-CE2 3.23Å; R112-F114 HydrophobicContact CB-CD2 4.32Å; R112-F114 HydrophobicContact CB-CE2 4.12Å; R112-F114 PolarHBondContact O-N 2.81Å; F114-L134 HydrophobicContact CD1-CD2 4.39Å; F114-Y135 VanDerWaalsContact CA-O 3.3Å; F114-Y135 WeakPolarHBondContact CA-O 3.31Å; F114-S136 VanDerWaalsContact CD2-CB 3.44Å; F114-Y146 HydrophobicContact CD1-CD2 4.42Å; F114-Y146 AromaticContact CD1-CE2 3.91Å; F114-Y146 HydrophobicContact CD1-CE2 3.91Å; F114-Y146 AromaticContact CE1-CD2 3.97Å; F114-Y146 HydrophobicContact CE1-CD2 3.97Å; F114-Y146 HydrophobicContact CE1-CE1 4.2Å; F114-Y146 AromaticContact CE1-CE2 3.29Å; F114-Y146 HydrophobicContact CE1-CE2 3.29Å; F114-Y146 AromaticContact CE1-CZ 3.44Å; F114-Y146 VanDerWaalsContact CE1-CZ 3.44Å; F114-Y146 HydrophobicContact CZ-CE1 4.27Å; F114-Y146 AromaticContact CZ-CE2 3.68Å; F114-Y146 HydrophobicContact CZ-CE2 3.68Å; F114-Y146 AromaticContact CZ-CZ 3.4Å; F114-Y146 VanDerWaalsContact CZ-CZ 3.4Å; F114-Y146 WeakPolarHBondContact CZ-OH 3.33Å; F114-L156 HydrophobicContact CB-CD1 3.77Å; F114-W158 HydrophobicContact CB-CH2 4.18Å; F114-W158 HydrophobicContact CB-CZ2 4.2Å; F114-W158 HydrophobicContact CD1-CZ2 4.3Å; F114-W158 HydrophobicContact CD2-CH2 4.26Å; F114-W158 AromaticContact CD2-CZ2 3.72Å; F114-W158 HydrophobicContact CD2-CZ2 3.72Å; F114-W158 HydrophobicContact CE2-CZ2 4.12Å; F114-W158 HydrophobicContact CG-CH2 4.29Å; F114-W158 AromaticContact CG-CZ2 3.82Å; F114-W158 HydrophobicContact CG-CZ2 3.82Å; F114-F165 HydrophobicContact CD1-CE2 4.43Å; F114-F165 HydrophobicContact CD1-CZ 4.29Å; F114-Y180 HydrophobicContact CZ-CE2 4.38Å
115	A	99	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	145.8	169.5	0	0	0	0	0	108.7	T72 F77 F102 D104 Y113 Y135	T72-A115 HydrophobicContact CG2-CB 3.66Å; F77-A115 HydrophobicContact CE1-CB 3.74Å; F77-A115 HydrophobicContact CZ-CB 3.91Å; F102-A115 HydrophobicContact CD1-CB 3.72Å; F102-A115 HydrophobicContact CE1-CB 3.86Å; D104-A115 WeakPolarHBondContact O-CA 3.38Å; Y113-A115 HydrophobicContact CE1-CB 4.48Å; A115-Y135 PolarHBondContact N-O 3.02Å; A115-Y135 CarbonylContact O-C 3.5Å; A115-Y135 WeakPolarHBondContact O-CA 3.25Å; A115-Y135 WeakPolarHBondContact O-CB 3.27Å; A115-Y135 PolarHBondContact O-N 2.93Å; A115-Y135 VanDerWaalsContact O-O 3.08Å
116	G	98.9	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	162.9	176.4	0	0	0	0	0	113	F102 N103 D104 S133 S153	F102-G116 WeakPolarHBondContact CA-O 3.46Å; F102-G116 WeakPolarHBondContact CD1-O 3.37Å; N103-G116 PolarHBondContact N-O 3.38Å; D104-G116 PolarHBondContact O-N 3.03Å; G116-S133 CarbonylContact C-O 3.57Å; G116-S133 WeakPolarHBondContact CA-O 3.3Å; G116-S153 VanDerWaalsContact CA-CB 3.43Å; G116-S153 WeakPolarHBondContact CA-OG 3.04Å; G116-S153 PolarHBondContact N-OG 3.19Å
117	T	98.9	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	169.1	-173.8	58.2	0	0	0	0	112.3	V93 D94 R101 F102 G132 S133 Y135	V93-T117 HydrophobicContact CG2-CG2 3.75Å; D94-T117 WeakPolarHBondContact OD2-CB 3.23Å; D94-T117 WeakPolarHBondContact OD2-CG2 3.32Å; D94-T117 PolarHBondContact OD2-OG1 3.46Å; R101-T117 CarbonylContact O-C 3.58Å; R101-T117 WeakPolarHBondContact O-CA 3.25Å; R101-T117 WeakPolarHBondContact O-CB 3.29Å; F102-T117 HydrophobicContact CD1-CG2 3.62Å; F102-T117 HydrophobicContact CE1-CG2 3.77Å; F102-T117 HydrophobicContact CG-CG2 4.14Å; F102-T117 HydrophobicContact CZ-CG2 4.42Å; T117-G132 VanDerWaalsContact O-CA 3.23Å; T117-G132 WeakPolarHBondContact O-CA 3.43Å; T117-G132 WeakPolarHBondContact OG1-CA 3.47Å; T117-S133 PolarHBondContact N-O 2.88Å; T117-S133 PolarHBondContact OG1-N 2.8Å; T117-S133 PolarHBondContact OG1-O 3.35Å; T117-Y135 HydrophobicContact CG2-CD2 4.22Å; T117-Y135 HydrophobicContact CG2-CE2 3.97Å
118	M	98.8	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	161.2	171.8	61.4	-175.3	-75.1	0	0	108.9	N100 R101 N103 E121 L127 D151 I152	N100-M118 VanDerWaalsContact CA-O 3.22Å; N100-M118 WeakPolarHBondContact CA-O 3.32Å; N100-M118 WeakPolarHBondContact CB-O 3.49Å; R101-M118 HydrophobicContact CG-CG 4.25Å; R101-M118 VanDerWaalsContact CZ-SD 3.53Å; R101-M118 PolarHBondContact N-O 2.95Å; R101-M118 PolarHBondContact NH2-SD 2.95Å; R101-M118 PolarHBondContact O-N 2.78Å; N103-M118 HydrophobicContact CB-CG 4.13Å; N103-M118 HydrophobicContact CB-SD 3.63Å; N103-M118 VanDerWaalsContact CG-SD 3.59Å; M118-E121 HydrophobicContact CE-CG 3.59Å; M118-L127 HydrophobicContact CB-CD1 4.35Å; M118-L127 HydrophobicContact CE-CD1 4.15Å; M118-D151 WeakPolarHBondContact CB-O 3.25Å; M118-I152 HydrophobicContact CE-CB 4.45Å; M118-I152 HydrophobicContact CE-CD1 4.03Å; M118-I152 HydrophobicContact CE-CG1 3.8Å; M118-I152 HydrophobicContact CE-CG2 4.14Å; M118-I152 HydrophobicContact SD-CB 4.45Å; M118-I152 HydrophobicContact SD-CG1 4.43Å; M118-I152 HydrophobicContact SD-CG2 3.8Å
119	A	98.6	Very high	96.9	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.7	161.7	0	0	0	0	0	109.5	N100 L127 E128 Q131	N100-A119 WeakPolarHBondContact OD1-CA 3.46Å; A119-L127 HydrophobicContact CB-CB 4.26Å; A119-L127 HydrophobicContact CB-CD1 4.08Å; A119-L127 WeakPolarHBondContact O-CD1 3.48Å; A119-E128 HydrophobicContact CB-CB 4.11Å; A119-Q131 HydrophobicContact CB-CB 3.85Å; A119-Q131 HydrophobicContact CB-CG 3.98Å
120	E	97.2	Very high	96.9	Very high	54 Å²	54	40.3 Å²	40.3	25%	0.252	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-61	141	171.7	-82.2	-80.5	-149.6	0	0	111.1	N99 R101	N99-E120 WeakPolarHBondContact O-CB 3.34Å; N99-E120 PolarHBondContact O-N 3.01Å; R101-E120 HydrophobicContact CB-CG 4.36Å; R101-E120 WeakPolarHBondContact CD-OE1 3.49Å; R101-E120 VanDerWaalsContact CD-OE2 3.3Å; R101-E120 WeakPolarHBondContact CD-OE2 3.35Å; R101-E120 HydrophobicContact CG-CG 3.96Å; R101-E120 IonicContact NE-OE1 2.84Å; R101-E120 IonicContact NE-OE2 2.89Å; R101-E120 PolarHBondContact NE-OE2 2.86Å
121	E	94.7	Very high	96.9	Very high	67 Å²	67	40.2 Å²	40.2	31%	0.313	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-84.1	145.4	-175.4	-75	169.4	127.5	0	0	111.9	R101 M118 A123 A125 V126 L127	R101-E121 IonicContact NH2-OE2 3.21Å; M118-E121 HydrophobicContact CE-CG 3.59Å; E121-A123 WeakPolarHBondContact CB-O 3.22Å; E121-A125 WeakPolarHBondContact OE1-CA 3.4Å; E121-A125 PolarHBondContact OE1-N 2.8Å; E121-V126 WeakPolarHBondContact CA-O 3.06Å; E121-L127 HydrophobicContact CG-CB 4.12Å; E121-L127 HydrophobicContact CG-CD2 4.05Å
122	T	93.2	Very high	96.9	Very high	128 Å²	128	40 Å²	40	79%	0.785	22%	0.216	S	C	*	.	S	Bend	trans	-93.2	-24.4	167.3	55.5	0	0	0	0	112.2	V126	T122-V126 PolarHBondContact N-O 3.05Å; T122-V126 PolarHBondContact OG1-O 2.79Å
123	A	91.4	Very high	96.9	Very high	45 Å²	45	39.4 Å²	39.4	37%	0.372	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-154.6	163.4	168.2	0	0	0	0	0	107.7	E121 A125 V126	E121-A123 WeakPolarHBondContact CB-O 3.22Å; A123-A125 PolarHBondContact O-N 2.92Å; A123-V126 HydrophobicContact CB-CB 4.11Å; A123-V126 HydrophobicContact CB-CG2 4.08Å; A123-V126 WeakPolarHBondContact O-CA 3.31Å; A123-V126 WeakPolarHBondContact O-CB 3.47Å; A123-V126 PolarHBondContact O-N 3.1Å
124	P	89.1	Confident	96.9	Very high	53 Å²	53	39.4 Å²	39.4	34%	0.344	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	127	-179.1	-27.8	35.4	0	0	0	112.7	V126 Y219	P124-V126 PolarHBondContact O-N 3.32Å; P124-Y219 HydrophobicContact CB-CE1 4.29Å
125	A	90	Very high	96.9	Very high	34 Å²	34	40.1 Å²	40.1	28%	0.281	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	15.8	-173.8	0	0	0	0	0	115.8	E121 A123 L171 I202	E121-A125 WeakPolarHBondContact OE1-CA 3.4Å; E121-A125 PolarHBondContact OE1-N 2.8Å; A123-A125 PolarHBondContact O-N 2.92Å; A125-L171 HydrophobicContact CB-CD1 4.1Å; A125-L171 HydrophobicContact CB-CD2 4.1Å; A125-I202 HydrophobicContact CB-CD1 3.88Å
126	V	96.9	Very high	96.9	Very high	78 Å²	78	40.1 Å²	40.1	47%	0.473	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-114.3	97.8	176.9	-173.8	0	0	0	0	110.3	E121 T122 A123 P124	E121-V126 WeakPolarHBondContact CA-O 3.06Å; T122-V126 PolarHBondContact N-O 3.05Å; T122-V126 PolarHBondContact OG1-O 2.79Å; A123-V126 HydrophobicContact CB-CB 4.11Å; A123-V126 HydrophobicContact CB-CG2 4.08Å; A123-V126 WeakPolarHBondContact O-CA 3.31Å; A123-V126 WeakPolarHBondContact O-CB 3.47Å; A123-V126 PolarHBondContact O-N 3.1Å; P124-V126 PolarHBondContact O-N 3.32Å
127	L	98.1	Very high	96.9	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	22%	0.217	C	C	.	.	S	Bend	trans	-148.6	168.3	-176.1	63.3	149.9	0	0	0	111.8	M118 A119 E121 R129 D151 I152 L171	M118-L127 HydrophobicContact CB-CD1 4.35Å; M118-L127 HydrophobicContact CE-CD1 4.15Å; A119-L127 HydrophobicContact CB-CB 4.26Å; A119-L127 HydrophobicContact CB-CD1 4.08Å; A119-L127 WeakPolarHBondContact O-CD1 3.48Å; E121-L127 HydrophobicContact CG-CB 4.12Å; E121-L127 HydrophobicContact CG-CD2 4.05Å; L127-R129 PolarHBondContact O-N 3.11Å; L127-D151 VanDerWaalsContact CD1-O 3.3Å; L127-D151 WeakPolarHBondContact CD1-O 3.43Å; L127-I152 HydrophobicContact CD1-CG1 4.09Å; L127-I152 HydrophobicContact CD2-CD1 3.72Å; L127-I152 HydrophobicContact CD2-CG1 3.87Å; L127-L171 HydrophobicContact CD2-CD1 4.07Å
128	E	98.2	Very high	96.9	Very high	129 Å²	129	41.2 Å²	41.2	60%	0.603	22%	0.222	S	C	*	.			trans	-64.9	124.3	166.4	-169.6	179.4	173.5	0	0	109.9	A119 Q131	A119-E128 HydrophobicContact CB-CB 4.11Å; E128-Q131 HydrophobicContact CB-CG 3.84Å; E128-Q131 HydrophobicContact CG-CG 3.64Å; E128-Q131 PolarHBondContact OE1-NE2 3.44Å; E128-Q131 VanDerWaalsContact OE1-NE2 3.16Å
129	R	98.4	Very high	96.9	Very high	84 Å²	84	43.7 Å²	43.7	32%	0.317	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	151.3	-174	-55.6	-82.6	65.3	-150.3	-18	112.1	L127 Q131 D151 L171	L127-R129 PolarHBondContact O-N 3.11Å; R129-Q131 PolarHBondContact O-N 2.84Å; R129-Q131 VanDerWaalsContact O-N 3.14Å; R129-Q131 PolarHBondContact O-NE2 3.39Å; R129-Q131 VanDerWaalsContact O-NE2 3.15Å; R129-D151 VanDerWaalsContact CA-OD1 3.32Å; R129-D151 WeakPolarHBondContact CA-OD1 3.25Å; R129-D151 WeakPolarHBondContact CB-OD1 3.37Å; R129-D151 IonicContact CZ-OD1 2.97Å; R129-D151 IonicContact CZ-OD2 2.68Å; R129-D151 IonicContact NE-OD1 3.3Å; R129-D151 PolarHBondContact NE-OD1 3.38Å; R129-D151 IonicContact NE-OD2 3.15Å; R129-D151 IonicContact NH1-OD1 3.6Å; R129-D151 PolarHBondContact NH1-OD1 2.73Å; R129-D151 IonicContact NH1-OD2 3.94Å; R129-D151 PolarHBondContact NH1-OD2 3.36Å; R129-D151 IonicContact NH2-OD1 3.65Å; R129-D151 PolarHBondContact NH2-OD1 2.84Å; R129-D151 IonicContact NH2-OD2 2.75Å; R129-L171 VanDerWaalsContact NH2-CD1 3.28Å
130	H	98.5	Very high	96.9	Very high	88 Å²	88	48.9 Å²	48.9	41%	0.407	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.5	171.1	-49.1	123.8	0	0	0	114.8	Q149 V150 D151	H130-Q149 HydrophobicContact CB-CB 4.18Å; H130-Q149 PolarHBondContact CD2-O 2.86Å; H130-V150 CarbonylContact C-O 3.34Å; H130-V150 VanDerWaalsContact C-O 3.32Å; H130-V150 VanDerWaalsContact CA-O 3.28Å; H130-V150 WeakPolarHBondContact CA-O 3.43Å; H130-D151 IonicContact CD2-OD1 3.74Å; H130-D151 PolarHBondContact CD2-OD1 2.95Å; H130-D151 IonicContact CD2-OD2 3.11Å; H130-D151 IonicContact CG-OD1 2.74Å; H130-D151 PolarHBondContact N-OD1 3.04Å; H130-D151 IonicContact NE2-OD1 2.79Å; H130-D151 IonicContact NE2-OD2 2.79Å
131	Q	98.8	Very high	96.9	Very high	36 Å²	36	49.4 Å²	49.4	17%	0.168	27%	0.267	C	S	.	.			trans	-85.9	-17.3	179.6	-65	-52.6	-49.5	0	0	113.8	K97 N100 A119 E128 R129 V150	K97-Q131 WeakPolarHBondContact CE-O 3.33Å; N100-Q131 PolarHBondContact ND2-O 2.77Å; A119-Q131 HydrophobicContact CB-CB 3.85Å; A119-Q131 HydrophobicContact CB-CG 3.98Å; E128-Q131 HydrophobicContact CB-CG 3.84Å; E128-Q131 HydrophobicContact CG-CG 3.64Å; E128-Q131 PolarHBondContact OE1-NE2 3.44Å; E128-Q131 VanDerWaalsContact OE1-NE2 3.16Å; R129-Q131 PolarHBondContact O-N 2.84Å; R129-Q131 VanDerWaalsContact O-N 3.14Å; R129-Q131 PolarHBondContact O-NE2 3.39Å; R129-Q131 VanDerWaalsContact O-NE2 3.15Å; Q131-V150 PolarHBondContact N-O 2.66Å
132	G	98.8	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	169	-176.6	0	0	0	0	0	113.8	T117 Q149 V150	T117-G132 VanDerWaalsContact O-CA 3.23Å; T117-G132 WeakPolarHBondContact O-CA 3.43Å; T117-G132 WeakPolarHBondContact OG1-CA 3.47Å; G132-Q149 PolarHBondContact O-N 3.33Å; G132-V150 VanDerWaalsContact CA-O 3.3Å; G132-V150 WeakPolarHBondContact CA-O 3.42Å; G132-V150 PolarHBondContact N-O 2.83Å; G132-V150 PolarHBondContact O-N 2.97Å; G132-V150 VanDerWaalsContact O-N 3.11Å
133	S	98.9	Very high	97.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.1	172.7	-65.6	0	0	0	0	109.9	G116 T117 Y135 K145 F147 D148	G116-S133 CarbonylContact C-O 3.57Å; G116-S133 WeakPolarHBondContact CA-O 3.3Å; T117-S133 PolarHBondContact N-O 2.88Å; T117-S133 PolarHBondContact OG1-N 2.8Å; T117-S133 PolarHBondContact OG1-O 3.35Å; S133-Y135 VanDerWaalsContact CB-CE2 3.48Å; S133-Y135 WeakPolarHBondContact CB-OH 3.38Å; S133-Y135 WeakPolarHBondContact O-CD2 3.45Å; S133-K145 WeakPolarHBondContact OG-CE 3.27Å; S133-K145 PolarHBondContact OG-NZ 3.38Å; S133-F147 VanDerWaalsContact CA-O 3.27Å; S133-F147 WeakPolarHBondContact CA-O 3.37Å; S133-F147 WeakPolarHBondContact CB-O 3.18Å; S133-D148 WeakPolarHBondContact OG-CA 3.45Å; S133-D148 VanDerWaalsContact OG-CB 3.29Å; S133-D148 WeakPolarHBondContact OG-CB 3.39Å
134	L	99	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.2	172.6	-178.5	64.6	0	0	0	110.4	F114 Y146 F147 F165 Y167 I187	F114-L134 HydrophobicContact CD1-CD2 4.39Å; L134-Y146 HydrophobicContact CD2-CD2 4.45Å; L134-Y146 HydrophobicContact CG-CD2 4.19Å; L134-Y146 PolarHBondContact O-N 2.89Å; L134-F147 HydrophobicContact CB-CD2 4.34Å; L134-F147 HydrophobicContact CB-CE1 4.16Å; L134-F147 HydrophobicContact CB-CE2 3.84Å; L134-F147 HydrophobicContact CB-CZ 3.75Å; L134-F147 HydrophobicContact CD2-CE1 3.68Å; L134-F147 HydrophobicContact CD2-CE2 4.49Å; L134-F147 HydrophobicContact CD2-CZ 3.58Å; L134-F147 HydrophobicContact CG-CZ 4.32Å; L134-F147 PolarHBondContact N-O 2.84Å; L134-F165 HydrophobicContact CD2-CE1 3.56Å; L134-F165 HydrophobicContact CD2-CZ 3.75Å; L134-Y167 HydrophobicContact CD1-CD2 4.44Å; L134-Y167 HydrophobicContact CD1-CE2 3.92Å; L134-Y167 HydrophobicContact CD2-CD2 4.2Å; L134-Y167 HydrophobicContact CD2-CE2 4.19Å; L134-Y167 HydrophobicContact CG-CE2 4.49Å; L134-I187 HydrophobicContact CD2-CD1 4.29Å
135	Y	99	Very high	98.2	Very high	15 Å²	15	49.3 Å²	49.3	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.9	179.3	-60.4	-83	0	0	0	112	V93 D94 F102 F114 A115 T117 S133 V143 K144 K145	V93-Y135 HydrophobicContact CB-CD1 4.39Å; V93-Y135 HydrophobicContact CB-CD2 4.16Å; V93-Y135 HydrophobicContact CB-CE1 4.12Å; V93-Y135 HydrophobicContact CB-CE2 3.87Å; V93-Y135 HydrophobicContact CB-CG 4.42Å; V93-Y135 HydrophobicContact CG1-CD1 3.84Å; V93-Y135 HydrophobicContact CG1-CD2 4.11Å; V93-Y135 HydrophobicContact CG1-CE1 4.01Å; V93-Y135 HydrophobicContact CG1-CE2 4.26Å; V93-Y135 HydrophobicContact CG1-CG 3.9Å; V93-Y135 HydrophobicContact CG2-CD2 3.99Å; V93-Y135 HydrophobicContact CG2-CE2 3.81Å; D94-Y135 PolarHBondContact OD1-OH 2.91Å; F102-Y135 HydrophobicContact CE1-CD2 4.14Å; F114-Y135 VanDerWaalsContact CA-O 3.3Å; F114-Y135 WeakPolarHBondContact CA-O 3.31Å; A115-Y135 PolarHBondContact N-O 3.02Å; A115-Y135 CarbonylContact O-C 3.5Å; A115-Y135 WeakPolarHBondContact O-CA 3.25Å; A115-Y135 WeakPolarHBondContact O-CB 3.27Å; A115-Y135 PolarHBondContact O-N 2.93Å; A115-Y135 VanDerWaalsContact O-O 3.08Å; T117-Y135 HydrophobicContact CG2-CD2 4.22Å; T117-Y135 HydrophobicContact CG2-CE2 3.97Å; S133-Y135 VanDerWaalsContact CB-CE2 3.48Å; S133-Y135 WeakPolarHBondContact CB-OH 3.38Å; S133-Y135 WeakPolarHBondContact O-CD2 3.45Å; Y135-V143 HydrophobicContact CD1-CG1 3.8Å; Y135-V143 HydrophobicContact CG-CG1 4.3Å; Y135-K144 CarbonylContact C-O 3.5Å; Y135-K144 WeakPolarHBondContact CA-O 3.22Å; Y135-K145 HydrophobicContact CD1-CB 3.81Å; Y135-K145 HydrophobicContact CD1-CG 4.1Å; Y135-K145 HydrophobicContact CE1-CB 3.56Å; Y135-K145 HydrophobicContact CE1-CD 3.77Å; Y135-K145 HydrophobicContact CE1-CG 3.57Å; Y135-K145 PolarHBondContact OH-NZ 2.87Å
136	S	98.9	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.3	157.6	66.5	0	0	0	0	111.8	Y113 F114 F138 V143 K144 Y146	Y113-S136 CarbonylContact O-C 3.54Å; Y113-S136 VanDerWaalsContact O-CA 3.23Å; Y113-S136 WeakPolarHBondContact O-CA 3.5Å; F114-S136 VanDerWaalsContact CD2-CB 3.44Å; S136-F138 VanDerWaalsContact OG-CE2 3.24Å; S136-F138 WeakPolarHBondContact OG-CE2 3.32Å; S136-V143 WeakPolarHBondContact O-CA 3.43Å; S136-K144 PolarHBondContact N-O 3.42Å; S136-K144 PolarHBondContact O-N 2.98Å; S136-Y146 VanDerWaalsContact OG-CE2 3.23Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.22Å; S136-Y146 PolarHBondContact OG-OH 2.83Å
137	L	98.9	Very high	98.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.8	166.3	-176.2	72.6	0	0	0	109.7	F77 L90 A91 R112 Y113 H141 V143 Y297	F77-L137 HydrophobicContact CB-CD2 3.87Å; F77-L137 HydrophobicContact CD1-CB 4.14Å; F77-L137 HydrophobicContact CD1-CD2 4.35Å; F77-L137 HydrophobicContact CD2-CB 4.11Å; F77-L137 HydrophobicContact CD2-CD1 4.49Å; F77-L137 HydrophobicContact CE1-CB 4.21Å; F77-L137 HydrophobicContact CE2-CB 4.17Å; F77-L137 HydrophobicContact CG-CB 4.09Å; F77-L137 HydrophobicContact CG-CD2 4.1Å; F77-L137 HydrophobicContact CZ-CB 4.23Å; L90-L137 HydrophobicContact CB-CD2 4.05Å; L90-L137 HydrophobicContact CD1-CD2 3.66Å; A91-L137 HydrophobicContact CB-CD1 3.89Å; R112-L137 CarbonylContact C-O 3.32Å; R112-L137 WeakPolarHBondContact CA-O 3.18Å; Y113-L137 PolarHBondContact N-O 2.78Å; Y113-L137 PolarHBondContact O-N 2.84Å; L137-H141 HydrophobicContact CD1-CB 4.4Å; L137-H141 VanDerWaalsContact CD1-O 3.3Å; L137-H141 WeakPolarHBondContact CD1-O 3.33Å; L137-V143 HydrophobicContact CD1-CG2 3.7Å; L137-Y297 HydrophobicContact CB-CE2 4.47Å; L137-Y297 HydrophobicContact CD2-CE1 4.27Å; L137-Y297 HydrophobicContact CD2-CE2 3.86Å; L137-Y297 VanDerWaalsContact CD2-OH 3.31Å; L137-Y297 WeakPolarHBondContact CD2-OH 3.41Å; L137-Y297 HydrophobicContact CG-CE2 4.01Å
138	F	98.9	Very high	98.8	Very high	24 Å²	24	50.1 Å²	50.1	11%	0.105	24%	0.239	C	C	.	.			trans	-82.1	162.6	176.4	-81.7	-116	0	0	0	111.4	R112 S136 D140 H141 H142 K144 Y297	R112-F138 HydrophobicContact CG-CD1 4.42Å; S136-F138 VanDerWaalsContact OG-CE2 3.24Å; S136-F138 WeakPolarHBondContact OG-CE2 3.32Å; F138-D140 VanDerWaalsContact CB-OD1 3.28Å; F138-D140 WeakPolarHBondContact CB-OD1 3.2Å; F138-D140 PolarHBondContact O-N 3.36Å; F138-D140 VanDerWaalsContact O-N 3.15Å; F138-H141 WeakPolarHBondContact O-CA 3.3Å; F138-H141 PolarHBondContact O-N 2.78Å; F138-H142 WeakPolarHBondContact CB-CE1 3.12Å; F138-H142 WeakPolarHBondContact CB-ND1 3.35Å; F138-H142 AromaticContact CD1-CE1 3.21Å; F138-H142 WeakPolarHBondContact CD1-CE1 3.37Å; F138-H142 AromaticContact CD1-NE2 3.61Å; F138-H142 AromaticContact CD2-CD2 3.88Å; F138-H142 AromaticContact CD2-CE1 3.63Å; F138-H142 AromaticContact CD2-NE2 3.28Å; F138-H142 VanDerWaalsContact CD2-NE2 3.28Å; F138-H142 WeakPolarHBondContact CD2-NE2 2.97Å; F138-H142 AromaticContact CE1-CE1 3.85Å; F138-H142 AromaticContact CE1-NE2 3.91Å; F138-H142 AromaticContact CE2-NE2 3.64Å; F138-H142 AromaticContact CG-CE1 3.08Å; F138-H142 WeakPolarHBondContact CG-CE1 3.26Å; F138-H142 AromaticContact CG-ND1 3.75Å; F138-H142 AromaticContact CG-NE2 3.28Å; F138-H142 VanDerWaalsContact CG-NE2 3.28Å; F138-H142 WeakPolarHBondContact CG-NE2 3.37Å; F138-H142 AromaticContact CZ-NE2 3.94Å; F138-H142 PolarHBondContact N-O 2.73Å; F138-K144 HydrophobicContact CD2-CB 4.3Å; F138-K144 HydrophobicContact CE2-CB 3.63Å; F138-K144 HydrophobicContact CE2-CD 4.06Å; F138-K144 HydrophobicContact CZ-CD 4.17Å; F138-Y297 PolarHBondContact O-OH 2.79Å
139	P	98.7	Very high	98.8	Very high	52 Å²	52	49.1 Å²	49.1	34%	0.338	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.1	-175.7	-25.5	36.4	0	0	0	115	H141 A298 G299	P139-H141 PolarHBondContact O-CD2 2.78Å; P139-H141 PolarHBondContact O-N 3.44Å; P139-A298 HydrophobicContact CB-CB 4.06Å; P139-A298 HydrophobicContact CG-CB 3.95Å; P139-G299 WeakPolarHBondContact O-CA 3.29Å
140	D	98.5	Very high	98.8	Very high	112 Å²	112	45.1 Å²	45.1	60%	0.599	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	11.6	173.1	66.1	-17.1	0	0	0	113.2	F138 H142	F138-D140 VanDerWaalsContact CB-OD1 3.28Å; F138-D140 WeakPolarHBondContact CB-OD1 3.2Å; F138-D140 PolarHBondContact O-N 3.36Å; F138-D140 VanDerWaalsContact O-N 3.15Å; D140-H142 PolarHBondContact O-N 2.84Å; D140-H142 IonicContact OD1-CE1 2.68Å; D140-H142 IonicContact OD1-CG 3.98Å; D140-H142 PolarHBondContact OD1-N 3.32Å; D140-H142 IonicContact OD1-ND1 2.73Å; D140-H142 PolarHBondContact OD1-ND1 2.94Å; D140-H142 IonicContact OD2-CE1 3.42Å; D140-H142 IonicContact OD2-CG 3.82Å; D140-H142 IonicContact OD2-ND1 3.93Å; D140-H142 PolarHBondContact OD2-ND1 2.97Å
141	H	98.6	Very high	98.8	Very high	65 Å²	65	41.5 Å²	41.5	30%	0.301	20%	0.203	S	C	.	.	S	Bend	trans	70.5	7.4	177.1	-52.1	178.6	0	0	0	114.8	L137 F138 P139 Y297 G299	L137-H141 HydrophobicContact CD1-CB 4.4Å; L137-H141 VanDerWaalsContact CD1-O 3.3Å; L137-H141 WeakPolarHBondContact CD1-O 3.33Å; F138-H141 WeakPolarHBondContact O-CA 3.3Å; F138-H141 PolarHBondContact O-N 2.78Å; P139-H141 PolarHBondContact O-CD2 2.78Å; P139-H141 PolarHBondContact O-N 3.44Å; H141-Y297 PolarHBondContact CD2-OH 2.93Å; H141-G299 PolarHBondContact NE2-OXT 3.06Å
142	H	98.5	Very high	98.8	Very high	81 Å²	81	40.2 Å²	40.2	38%	0.375	20%	0.197	S	C	.	.			trans	-72.7	147.2	169.6	87.6	-101.3	0	0	0	110.9	F138 D140	F138-H142 WeakPolarHBondContact CB-CE1 3.12Å; F138-H142 WeakPolarHBondContact CB-ND1 3.35Å; F138-H142 AromaticContact CD1-CE1 3.21Å; F138-H142 WeakPolarHBondContact CD1-CE1 3.37Å; F138-H142 AromaticContact CD1-NE2 3.61Å; F138-H142 AromaticContact CD2-CD2 3.88Å; F138-H142 AromaticContact CD2-CE1 3.63Å; F138-H142 AromaticContact CD2-NE2 3.28Å; F138-H142 VanDerWaalsContact CD2-NE2 3.28Å; F138-H142 WeakPolarHBondContact CD2-NE2 2.97Å; F138-H142 AromaticContact CE1-CE1 3.85Å; F138-H142 AromaticContact CE1-NE2 3.91Å; F138-H142 AromaticContact CE2-NE2 3.64Å; F138-H142 AromaticContact CG-CE1 3.08Å; F138-H142 WeakPolarHBondContact CG-CE1 3.26Å; F138-H142 AromaticContact CG-ND1 3.75Å; F138-H142 AromaticContact CG-NE2 3.28Å; F138-H142 VanDerWaalsContact CG-NE2 3.28Å; F138-H142 WeakPolarHBondContact CG-NE2 3.37Å; F138-H142 AromaticContact CZ-NE2 3.94Å; F138-H142 PolarHBondContact N-O 2.73Å; D140-H142 PolarHBondContact O-N 2.84Å; D140-H142 IonicContact OD1-CE1 2.68Å; D140-H142 IonicContact OD1-CG 3.98Å; D140-H142 PolarHBondContact OD1-N 3.32Å; D140-H142 IonicContact OD1-ND1 2.73Å; D140-H142 PolarHBondContact OD1-ND1 2.94Å; D140-H142 IonicContact OD2-CE1 3.42Å; D140-H142 IonicContact OD2-CG 3.82Å; D140-H142 IonicContact OD2-ND1 3.93Å; D140-H142 PolarHBondContact OD2-ND1 2.97Å
143	V	98.9	Very high	98.8	Very high	48 Å²	48	40.2 Å²	40.2	29%	0.291	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	177.6	177.5	0	0	0	0	110.3	F77 A91 V93 Y135 S136 L137	F77-V143 HydrophobicContact CD2-CG2 4.23Å; F77-V143 HydrophobicContact CE2-CG1 4.49Å; F77-V143 HydrophobicContact CE2-CG2 4.32Å; A91-V143 HydrophobicContact CB-CG2 3.33Å; V93-V143 HydrophobicContact CG1-CG1 3.83Å; Y135-V143 HydrophobicContact CD1-CG1 3.8Å; Y135-V143 HydrophobicContact CG-CG1 4.3Å; S136-V143 WeakPolarHBondContact O-CA 3.43Å; L137-V143 HydrophobicContact CD1-CG2 3.7Å
144	K	98.9	Very high	98.8	Very high	62 Å²	62	40.3 Å²	40.3	27%	0.27	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.1	169.1	-176.7	168.1	-178.5	165	0	110.1	Y135 S136 F138 Y146	Y135-K144 CarbonylContact C-O 3.5Å; Y135-K144 WeakPolarHBondContact CA-O 3.22Å; S136-K144 PolarHBondContact N-O 3.42Å; S136-K144 PolarHBondContact O-N 2.98Å; F138-K144 HydrophobicContact CD2-CB 4.3Å; F138-K144 HydrophobicContact CE2-CB 3.63Å; F138-K144 HydrophobicContact CE2-CD 4.06Å; F138-K144 HydrophobicContact CZ-CD 4.17Å; K144-Y146 HydrophobicContact CD-CD1 4.48Å; K144-Y146 HydrophobicContact CD-CE1 3.86Å; K144-Y146 HydrophobicContact CG-CE1 4.33Å; K144-Y146 HydrophobicContact CG-CE2 4.43Å
145	K	98.9	Very high	98.8	Very high	101 Å²	101	40.3 Å²	40.3	44%	0.439	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.5	165.1	-174	170.5	177.3	150.7	0	109	S133 Y135	S133-K145 WeakPolarHBondContact OG-CE 3.27Å; S133-K145 PolarHBondContact OG-NZ 3.38Å; Y135-K145 HydrophobicContact CD1-CB 3.81Å; Y135-K145 HydrophobicContact CD1-CG 4.1Å; Y135-K145 HydrophobicContact CE1-CB 3.56Å; Y135-K145 HydrophobicContact CE1-CD 3.77Å; Y135-K145 HydrophobicContact CE1-CG 3.57Å; Y135-K145 PolarHBondContact OH-NZ 2.87Å
146	Y	98.9	Very high	98.8	Very high	38 Å²	38	39.6 Å²	39.6	15%	0.149	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-52	-179.7	-70.6	-80	0	0	0	112.7	F114 L134 S136 K144 G185 I187	F114-Y146 HydrophobicContact CD1-CD2 4.42Å; F114-Y146 AromaticContact CD1-CE2 3.91Å; F114-Y146 HydrophobicContact CD1-CE2 3.91Å; F114-Y146 AromaticContact CE1-CD2 3.97Å; F114-Y146 HydrophobicContact CE1-CD2 3.97Å; F114-Y146 HydrophobicContact CE1-CE1 4.2Å; F114-Y146 AromaticContact CE1-CE2 3.29Å; F114-Y146 HydrophobicContact CE1-CE2 3.29Å; F114-Y146 AromaticContact CE1-CZ 3.44Å; F114-Y146 VanDerWaalsContact CE1-CZ 3.44Å; F114-Y146 HydrophobicContact CZ-CE1 4.27Å; F114-Y146 AromaticContact CZ-CE2 3.68Å; F114-Y146 HydrophobicContact CZ-CE2 3.68Å; F114-Y146 AromaticContact CZ-CZ 3.4Å; F114-Y146 VanDerWaalsContact CZ-CZ 3.4Å; F114-Y146 WeakPolarHBondContact CZ-OH 3.33Å; L134-Y146 HydrophobicContact CD2-CD2 4.45Å; L134-Y146 HydrophobicContact CG-CD2 4.19Å; L134-Y146 PolarHBondContact O-N 2.89Å; S136-Y146 VanDerWaalsContact OG-CE2 3.23Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.22Å; S136-Y146 PolarHBondContact OG-OH 2.83Å; K144-Y146 HydrophobicContact CD-CD1 4.48Å; K144-Y146 HydrophobicContact CD-CE1 3.86Å; K144-Y146 HydrophobicContact CG-CE1 4.33Å; K144-Y146 HydrophobicContact CG-CE2 4.43Å; Y146-G185 WeakPolarHBondContact CE1-O 3.46Å; Y146-G185 PolarHBondContact OH-O 2.77Å; Y146-G185 VanDerWaalsContact OH-O 3.11Å; Y146-I187 HydrophobicContact CD1-CD1 3.76Å; Y146-I187 HydrophobicContact CD1-CG1 3.58Å; Y146-I187 HydrophobicContact CE1-CG1 4.21Å; Y146-I187 HydrophobicContact CG-CD1 3.91Å; Y146-I187 HydrophobicContact CG-CG1 4.24Å
147	F	98.8	Very high	98.8	Very high	36 Å²	36	40.1 Å²	40.1	16%	0.158	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.4	177.3	51.4	-99.2	0	0	0	109.4	S133 L134 V150 Y167 F178 I187	S133-F147 VanDerWaalsContact CA-O 3.27Å; S133-F147 WeakPolarHBondContact CA-O 3.37Å; S133-F147 WeakPolarHBondContact CB-O 3.18Å; L134-F147 HydrophobicContact CB-CD2 4.34Å; L134-F147 HydrophobicContact CB-CE1 4.16Å; L134-F147 HydrophobicContact CB-CE2 3.84Å; L134-F147 HydrophobicContact CB-CZ 3.75Å; L134-F147 HydrophobicContact CD2-CE1 3.68Å; L134-F147 HydrophobicContact CD2-CE2 4.49Å; L134-F147 HydrophobicContact CD2-CZ 3.58Å; L134-F147 HydrophobicContact CG-CZ 4.32Å; L134-F147 PolarHBondContact N-O 2.84Å; F147-V150 HydrophobicContact CD2-CG2 3.76Å; F147-V150 HydrophobicContact CE2-CG2 3.54Å; F147-Y167 HydrophobicContact CE2-CD1 4.45Å; F147-Y167 AromaticContact CE2-CE1 3.83Å; F147-Y167 HydrophobicContact CE2-CE1 3.83Å; F147-Y167 AromaticContact CZ-CD1 3.91Å; F147-Y167 HydrophobicContact CZ-CD1 3.91Å; F147-Y167 AromaticContact CZ-CE1 3.7Å; F147-Y167 HydrophobicContact CZ-CE1 3.7Å; F147-Y167 HydrophobicContact CZ-CG 4.5Å; F147-F178 HydrophobicContact CD1-CE1 4.24Å; F147-F178 HydrophobicContact CD1-CZ 4.37Å; F147-F178 AromaticContact CE1-CE1 3.76Å; F147-F178 HydrophobicContact CE1-CE1 3.76Å; F147-F178 HydrophobicContact CE1-CE2 4.39Å; F147-F178 AromaticContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CE1-CZ 3.54Å; F147-F178 AromaticContact CZ-CZ 3.88Å; F147-F178 HydrophobicContact CZ-CZ 3.88Å; F147-I187 HydrophobicContact CD1-CD1 4.14Å; F147-I187 HydrophobicContact CE1-CD1 3.7Å
148	D	98.8	Very high	98.8	Very high	78 Å²	78	40.3 Å²	40.3	42%	0.417	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-161.3	173	70.2	-31.6	0	0	0	110.9	S133 V150	S133-D148 WeakPolarHBondContact OG-CA 3.45Å; S133-D148 VanDerWaalsContact OG-CB 3.29Å; S133-D148 WeakPolarHBondContact OG-CB 3.39Å; D148-V150 PolarHBondContact O-N 2.82Å
149	Q	98.7	Very high	98.8	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.4	33.4	-176.2	-50	-57.8	-60.8	0	0	113	H130 G132	H130-Q149 HydrophobicContact CB-CB 4.18Å; H130-Q149 PolarHBondContact CD2-O 2.86Å; G132-Q149 PolarHBondContact O-N 3.33Å
150	V	98.9	Very high	98.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.6	173.5	177.1	0	0	0	0	109.3	H130 Q131 G132 F147 D148 Y167 D169	H130-V150 CarbonylContact C-O 3.34Å; H130-V150 VanDerWaalsContact C-O 3.32Å; H130-V150 VanDerWaalsContact CA-O 3.28Å; H130-V150 WeakPolarHBondContact CA-O 3.43Å; Q131-V150 PolarHBondContact N-O 2.66Å; G132-V150 VanDerWaalsContact CA-O 3.3Å; G132-V150 WeakPolarHBondContact CA-O 3.42Å; G132-V150 PolarHBondContact N-O 2.83Å; G132-V150 PolarHBondContact O-N 2.97Å; G132-V150 VanDerWaalsContact O-N 3.11Å; F147-V150 HydrophobicContact CD2-CG2 3.76Å; F147-V150 HydrophobicContact CE2-CG2 3.54Å; D148-V150 PolarHBondContact O-N 2.82Å; V150-Y167 WeakPolarHBondContact CG1-OH 3.34Å; V150-D169 WeakPolarHBondContact CA-OD2 3.41Å; V150-D169 HydrophobicContact CG1-CB 4.48Å
151	D	98.8	Very high	98.8	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	19%	0.194	C	C	.	.	S	Bend	trans	-83.5	-67.3	175.7	-92.9	-24.4	0	0	0	110.9	M118 L127 R129 H130 D169 L171	M118-D151 WeakPolarHBondContact CB-O 3.25Å; L127-D151 VanDerWaalsContact CD1-O 3.3Å; L127-D151 WeakPolarHBondContact CD1-O 3.43Å; R129-D151 VanDerWaalsContact CA-OD1 3.32Å; R129-D151 WeakPolarHBondContact CA-OD1 3.25Å; R129-D151 WeakPolarHBondContact CB-OD1 3.37Å; R129-D151 IonicContact CZ-OD1 2.97Å; R129-D151 IonicContact CZ-OD2 2.68Å; R129-D151 IonicContact NE-OD1 3.3Å; R129-D151 PolarHBondContact NE-OD1 3.38Å; R129-D151 IonicContact NE-OD2 3.15Å; R129-D151 IonicContact NH1-OD1 3.6Å; R129-D151 PolarHBondContact NH1-OD1 2.73Å; R129-D151 IonicContact NH1-OD2 3.94Å; R129-D151 PolarHBondContact NH1-OD2 3.36Å; R129-D151 IonicContact NH2-OD1 3.65Å; R129-D151 PolarHBondContact NH2-OD1 2.84Å; R129-D151 IonicContact NH2-OD2 2.75Å; H130-D151 IonicContact CD2-OD1 3.74Å; H130-D151 PolarHBondContact CD2-OD1 2.95Å; H130-D151 IonicContact CD2-OD2 3.11Å; H130-D151 IonicContact CG-OD1 2.74Å; H130-D151 PolarHBondContact N-OD1 3.04Å; H130-D151 IonicContact NE2-OD1 2.79Å; H130-D151 IonicContact NE2-OD2 2.79Å; D151-D169 WeakPolarHBondContact CB-OD1 3.5Å; D151-D169 PolarHBondContact N-OD1 2.74Å; D151-D169 PolarHBondContact N-OD2 3.42Å; D151-L171 HydrophobicContact CB-CB 4.09Å
152	I	98.8	Very high	98.8	Very high	10 Å²	10	39 Å²	39	5%	0.051	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-133.7	103.3	174.4	-59.5	-177.2	0	0	0	107.6	M118 L127 N154 D169 S170 L171	M118-I152 HydrophobicContact CE-CB 4.45Å; M118-I152 HydrophobicContact CE-CD1 4.03Å; M118-I152 HydrophobicContact CE-CG1 3.8Å; M118-I152 HydrophobicContact CE-CG2 4.14Å; M118-I152 HydrophobicContact SD-CB 4.45Å; M118-I152 HydrophobicContact SD-CG1 4.43Å; M118-I152 HydrophobicContact SD-CG2 3.8Å; L127-I152 HydrophobicContact CD1-CG1 4.09Å; L127-I152 HydrophobicContact CD2-CD1 3.72Å; L127-I152 HydrophobicContact CD2-CG1 3.87Å; I152-N154 PolarHBondContact O-N 2.86Å; I152-D169 PolarHBondContact N-OD1 2.8Å; I152-D169 WeakPolarHBondContact O-CA 3.25Å; I152-S170 PolarHBondContact O-N 3.36Å; I152-L171 HydrophobicContact CD1-CD1 3.7Å; I152-L171 HydrophobicContact CD1-CG 3.94Å; I152-L171 HydrophobicContact CG1-CD1 4.12Å; I152-L171 HydrophobicContact CG1-CG 4.27Å
153	S	98.9	Very high	98.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.9	176.9	-178.5	0	0	0	0	110.6	N103 D104 G116 Y167	N103-S153 WeakPolarHBondContact CB-O 3.09Å; N103-S153 PolarHBondContact ND2-O 2.85Å; D104-S153 PolarHBondContact N-O 2.93Å; G116-S153 VanDerWaalsContact CA-CB 3.43Å; G116-S153 WeakPolarHBondContact CA-OG 3.04Å; G116-S153 PolarHBondContact N-OG 3.19Å; S153-Y167 WeakPolarHBondContact CA-OH 3.43Å; S153-Y167 WeakPolarHBondContact CB-OH 3.26Å; S153-Y167 PolarHBondContact OG-OH 2.86Å
154	N	98.7	Very high	98.8	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-153.1	-172.3	-138.8	-41.8	0	0	0	112.6	N103 I152 L156 I168 S170 D204 G205	N103-N154 PolarHBondContact ND2-ND2 2.77Å; I152-N154 PolarHBondContact O-N 2.86Å; N154-L156 PolarHBondContact O-N 3.19Å; N154-I168 CarbonylContact C-O 3.51Å; N154-I168 WeakPolarHBondContact CA-O 3.11Å; N154-I168 HydrophobicContact CB-CB 4.32Å; N154-I168 HydrophobicContact CB-CG2 4Å; N154-I168 PolarHBondContact N-O 3.25Å; N154-S170 VanDerWaalsContact CB-OG 3.25Å; N154-S170 WeakPolarHBondContact CB-OG 3.43Å; N154-S170 PolarHBondContact ND2-OG 3.26Å; N154-D204 VanDerWaalsContact CG-C 3.43Å; N154-D204 PolarHBondContact ND2-OD1 3.33Å; N154-D204 PolarHBondContact OD1-O 2.8Å; N154-D204 PolarHBondContact OD1-OD1 2.85Å; N154-G205 PolarHBondContact OD1-N 3.4Å
155	G	98.5	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-33.8	128.2	-172.9	0	0	0	0	0	114.9	D104 Y167 I168 D204 M206	D104-G155 VanDerWaalsContact OD2-CA 3.26Å; D104-G155 WeakPolarHBondContact OD2-CA 3.35Å; D104-G155 PolarHBondContact OD2-N 3.44Å; G155-Y167 CarbonylContact O-C 3.51Å; G155-Y167 WeakPolarHBondContact O-CA 3.41Å; G155-I168 WeakPolarHBondContact O-CB 3.14Å; G155-I168 PolarHBondContact O-N 2.8Å; G155-D204 WeakPolarHBondContact CA-O 3.42Å; G155-D204 PolarHBondContact N-O 3.34Å; G155-M206 WeakPolarHBondContact O-CE 3.27Å
156	L	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.6	-176	75.3	178.7	0	0	0	111.8	D104 K106 F114 N154 F165 Y166 Y167	D104-L156 HydrophobicContact CB-CD2 4.46Å; D104-L156 WeakPolarHBondContact OD2-CD2 3.34Å; K106-L156 HydrophobicContact CB-CD1 4.34Å; K106-L156 HydrophobicContact CB-CD2 3.66Å; K106-L156 HydrophobicContact CB-CG 3.86Å; K106-L156 WeakPolarHBondContact CD-O 3.41Å; K106-L156 WeakPolarHBondContact CE-O 3.05Å; K106-L156 PolarHBondContact NZ-O 2.86Å; F114-L156 HydrophobicContact CB-CD1 3.77Å; N154-L156 PolarHBondContact O-N 3.19Å; L156-F165 HydrophobicContact CB-CE2 3.81Å; L156-F165 HydrophobicContact CB-CZ 4.08Å; L156-F165 HydrophobicContact CD1-CE2 4.28Å; L156-F165 HydrophobicContact CD1-CZ 4.41Å; L156-F165 HydrophobicContact CG-CE2 4.42Å; L156-Y166 VanDerWaalsContact CA-O 3.25Å; L156-Y166 WeakPolarHBondContact CA-O 3.44Å; L156-Y167 HydrophobicContact CB-CD2 4.3Å
157	D	98.9	Very high	98.9	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	176.4	174.5	-139.2	-45.7	0	0	0	111.5	K106 Y166 C207 I208	K106-D157 IonicContact NZ-OD2 3.52Å; K106-D157 PolarHBondContact NZ-OD2 2.92Å; D157-Y166 PolarHBondContact N-O 3.02Å; D157-Y166 PolarHBondContact O-N 2.9Å; D157-C207 VanDerWaalsContact OD2-CA 3.23Å; D157-C207 WeakPolarHBondContact OD2-CA 3.49Å; D157-I208 HydrophobicContact CB-CB 4.35Å; D157-I208 PolarHBondContact OD2-N 2.91Å
158	W	98.9	Very high	98.9	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.9	179.6	-63.1	-96.7	0	0	0	111.7	K106 V107 D108 P109 F114 I164 F165 Y180 I208	K106-W158 HydrophobicContact CB-CH2 4.27Å; K106-W158 HydrophobicContact CB-CZ3 4.07Å; K106-W158 HydrophobicContact CD-CZ3 3.97Å; K106-W158 HydrophobicContact CG-CZ3 3.92Å; V107-W158 VanDerWaalsContact O-CZ3 3.22Å; V107-W158 WeakPolarHBondContact O-CZ3 3.46Å; D108-W158 VanDerWaalsContact CA-CH2 3.48Å; D108-W158 HydrophobicContact CB-CD2 4.1Å; D108-W158 VanDerWaalsContact CB-CE2 3.46Å; D108-W158 HydrophobicContact CB-CE3 4.43Å; D108-W158 HydrophobicContact CB-CH2 3.68Å; D108-W158 HydrophobicContact CB-CZ2 3.25Å; D108-W158 HydrophobicContact CB-CZ3 4.24Å; P109-W158 HydrophobicContact CG-CB 3.94Å; P109-W158 HydrophobicContact CG-CD2 4.45Å; P109-W158 HydrophobicContact CG-CG 4.05Å; F114-W158 HydrophobicContact CB-CH2 4.18Å; F114-W158 HydrophobicContact CB-CZ2 4.2Å; F114-W158 HydrophobicContact CD1-CZ2 4.3Å; F114-W158 HydrophobicContact CD2-CH2 4.26Å; F114-W158 AromaticContact CD2-CZ2 3.72Å; F114-W158 HydrophobicContact CD2-CZ2 3.72Å; F114-W158 HydrophobicContact CE2-CZ2 4.12Å; F114-W158 HydrophobicContact CG-CH2 4.29Å; F114-W158 AromaticContact CG-CZ2 3.82Å; F114-W158 HydrophobicContact CG-CZ2 3.82Å; W158-I164 CarbonylContact C-O 3.5Å; W158-I164 VanDerWaalsContact CA-O 3.29Å; W158-I164 WeakPolarHBondContact CA-O 3.22Å; W158-F165 HydrophobicContact CD2-CD2 4.29Å; W158-F165 AromaticContact CE2-CD2 3.65Å; W158-F165 HydrophobicContact CG-CD2 4.47Å; W158-F165 AromaticContact CZ2-CD2 3.98Å; W158-F165 HydrophobicContact CZ2-CD2 3.98Å; W158-F165 AromaticContact CZ2-CE2 3.96Å; W158-F165 HydrophobicContact CZ2-CE2 3.96Å; W158-F165 AromaticContact NE1-CD2 3.49Å; W158-Y180 AromaticContact CD1-CD1 3.7Å; W158-Y180 AromaticContact CD1-CE1 3.76Å; W158-Y180 AromaticContact CD1-CG 3.89Å; W158-Y180 AromaticContact NE1-CD2 3.89Å; W158-Y180 AromaticContact NE1-CE2 3.72Å; W158-Y180 AromaticContact NE1-CZ 3.85Å; W158-I208 VanDerWaalsContact O-CD1 3.22Å; W158-I208 WeakPolarHBondContact O-CD1 3.23Å
159	S	98.9	Very high	98.9	Very high	9 Å²	9	27 Å²	27	6%	0.063	13%	0.132	C	C	.	.			trans	-62.8	152.6	170.9	62.1	0	0	0	0	111.4	D161 H162 K163 I164	S159-D161 WeakPolarHBondContact CB-OD1 3.37Å; S159-D161 PolarHBondContact O-N 2.89Å; S159-D161 VanDerWaalsContact O-N 3.15Å; S159-D161 PolarHBondContact OG-OD1 2.92Å; S159-H162 WeakPolarHBondContact O-CA 3.45Å; S159-H162 PolarHBondContact O-CD2 3.38Å; S159-H162 PolarHBondContact O-N 3.01Å; S159-K163 PolarHBondContact OG-N 2.6Å; S159-I164 PolarHBondContact N-O 2.89Å; S159-I164 PolarHBondContact OG-N 2.71Å; S159-I164 PolarHBondContact OG-O 3.05Å
160	L	98.8	Very high	98.9	Very high	75 Å²	75	22 Å²	22	39%	0.393	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.3	-177.2	-54.9	-179.1	0	0	0	114	H162 I208 A210 I292	L160-H162 VanDerWaalsContact C-N 3.34Å; L160-I208 HydrophobicContact CD2-CD1 4.33Å; L160-I208 HydrophobicContact CD2-CG2 4.23Å; L160-I208 HydrophobicContact CG-CD1 4.35Å; L160-A210 WeakPolarHBondContact CD1-O 3.49Å; L160-I292 HydrophobicContact CD2-CD1 3.99Å; L160-I292 HydrophobicContact CD2-CG2 4.09Å
161	D	98.8	Very high	98.9	Very high	92 Å²	92	23.1 Å²	23.1	49%	0.492	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3	173.7	72.5	-20.1	0	0	0	113.1	S159 K163	S159-D161 WeakPolarHBondContact CB-OD1 3.37Å; S159-D161 PolarHBondContact O-N 2.89Å; S159-D161 VanDerWaalsContact O-N 3.15Å; S159-D161 PolarHBondContact OG-OD1 2.92Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 2.89Å; D161-K163 PolarHBondContact OD1-N 2.73Å; D161-K163 WeakPolarHBondContact OD2-CD 3.36Å
162	H	98.9	Very high	98.8	Very high	49 Å²	49	24.9 Å²	24.9	23%	0.227	13%	0.128	C	C	.	.	S	Bend	trans	57.1	34.1	179.6	-49.3	157.1	0	0	0	114.1	P109 S159 L160 Y180 L182 Y295	P109-H162 HydrophobicContact CG-CB 4.42Å; P109-H162 VanDerWaalsContact CG-CD2 3.49Å; P109-H162 WeakPolarHBondContact CG-CD2 3.22Å; S159-H162 WeakPolarHBondContact O-CA 3.45Å; S159-H162 PolarHBondContact O-CD2 3.38Å; S159-H162 PolarHBondContact O-N 3.01Å; L160-H162 VanDerWaalsContact C-N 3.34Å; H162-Y180 VanDerWaalsContact O-CD1 3.31Å; H162-Y180 WeakPolarHBondContact O-CD1 3.18Å; H162-L182 HydrophobicContact CB-CB 4.31Å; H162-L182 HydrophobicContact CB-CD1 4.19Å; H162-L182 HydrophobicContact CB-CD2 3.98Å; H162-L182 HydrophobicContact CB-CG 4.4Å; H162-Y295 PolarHBondContact NE2-OH 3.34Å
163	K	98.9	Very high	98.8	Very high	134 Å²	134	29.6 Å²	29.6	58%	0.583	15%	0.146	S	C	*	.			trans	-113.9	-11.2	178.9	-63.7	-173.5	-172.6	174.9	0	114.4	S159 D161 Y180	S159-K163 PolarHBondContact OG-N 2.6Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 2.89Å; D161-K163 PolarHBondContact OD1-N 2.73Å; D161-K163 WeakPolarHBondContact OD2-CD 3.36Å; K163-Y180 WeakPolarHBondContact CA-O 3.28Å; K163-Y180 PolarHBondContact O-N 3.42Å
164	I	99	Very high	98.8	Very high	42 Å²	42	30 Å²	30	22%	0.215	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.6	-180	-58.6	178.2	0	0	0	109.1	W158 S159 Y166 A177 F178	W158-I164 CarbonylContact C-O 3.5Å; W158-I164 VanDerWaalsContact CA-O 3.29Å; W158-I164 WeakPolarHBondContact CA-O 3.22Å; S159-I164 PolarHBondContact N-O 2.89Å; S159-I164 PolarHBondContact OG-N 2.71Å; S159-I164 PolarHBondContact OG-O 3.05Å; I164-Y166 HydrophobicContact CB-CE1 4.49Å; I164-Y166 HydrophobicContact CB-CE2 4.48Å; I164-Y166 HydrophobicContact CG2-CD1 3.92Å; I164-Y166 HydrophobicContact CG2-CD2 4.47Å; I164-Y166 HydrophobicContact CG2-CE1 3.45Å; I164-Y166 VanDerWaalsContact CG2-CE1 3.45Å; I164-Y166 HydrophobicContact CG2-CE2 4.09Å; I164-Y166 HydrophobicContact CG2-CG 4.4Å; I164-A177 HydrophobicContact CG2-CB 3.81Å; I164-F178 CarbonylContact C-O 3.51Å; I164-F178 VanDerWaalsContact CA-O 3.24Å; I164-F178 WeakPolarHBondContact CA-O 3.49Å; I164-F178 WeakPolarHBondContact CG2-O 3.21Å
165	F	99	Very high	98.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.7	166.8	168.1	-119.3	0	0	0	108.7	F114 L134 L156 W158 Y167 A177 F178 Y180 I187	F114-F165 HydrophobicContact CD1-CE2 4.43Å; F114-F165 HydrophobicContact CD1-CZ 4.29Å; L134-F165 HydrophobicContact CD2-CE1 3.56Å; L134-F165 HydrophobicContact CD2-CZ 3.75Å; L156-F165 HydrophobicContact CB-CE2 3.81Å; L156-F165 HydrophobicContact CB-CZ 4.08Å; L156-F165 HydrophobicContact CD1-CE2 4.28Å; L156-F165 HydrophobicContact CD1-CZ 4.41Å; L156-F165 HydrophobicContact CG-CE2 4.42Å; W158-F165 HydrophobicContact CD2-CD2 4.29Å; W158-F165 AromaticContact CE2-CD2 3.65Å; W158-F165 HydrophobicContact CG-CD2 4.47Å; W158-F165 AromaticContact CZ2-CD2 3.98Å; W158-F165 HydrophobicContact CZ2-CD2 3.98Å; W158-F165 AromaticContact CZ2-CE2 3.96Å; W158-F165 HydrophobicContact CZ2-CE2 3.96Å; W158-F165 AromaticContact NE1-CD2 3.49Å; F165-Y167 HydrophobicContact CE1-CD2 4.22Å; F165-Y167 HydrophobicContact CE1-CG 4.12Å; F165-Y167 AromaticContact CZ-CD2 3.87Å; F165-Y167 HydrophobicContact CZ-CD2 3.87Å; F165-Y167 HydrophobicContact CZ-CG 4.17Å; F165-A177 CarbonylContact O-C 3.46Å; F165-A177 VanDerWaalsContact O-CA 3.27Å; F165-A177 WeakPolarHBondContact O-CA 3.36Å; F165-F178 HydrophobicContact CB-CB 4.35Å; F165-F178 HydrophobicContact CD1-CB 4.29Å; F165-F178 AromaticContact CD1-CD2 3.71Å; F165-F178 HydrophobicContact CD1-CD2 3.71Å; F165-F178 HydrophobicContact CD1-CE2 4.33Å; F165-F178 HydrophobicContact CD1-CG 4.17Å; F165-F178 HydrophobicContact CE1-CD2 4.23Å; F165-F178 HydrophobicContact CE1-CE2 4.41Å; F165-F178 PolarHBondContact N-O 3Å; F165-F178 PolarHBondContact O-N 3.23Å; F165-Y180 HydrophobicContact CB-CD2 4.38Å; F165-Y180 HydrophobicContact CB-CG 4.31Å; F165-I187 HydrophobicContact CB-CG2 4.04Å; F165-I187 HydrophobicContact CD1-CD1 3.99Å; F165-I187 HydrophobicContact CD1-CG2 3.94Å; F165-I187 HydrophobicContact CE1-CD1 4.1Å; F165-I187 HydrophobicContact CG-CG2 4.26Å
166	Y	99	Very high	98.9	Very high	10 Å²	10	30.4 Å²	30.4	4%	0.039	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.2	175	-55.6	-73.3	0	0	0	109.8	L156 D157 I164 D176 A177 I208 L214 P229	L156-Y166 VanDerWaalsContact CA-O 3.25Å; L156-Y166 WeakPolarHBondContact CA-O 3.44Å; D157-Y166 PolarHBondContact N-O 3.02Å; D157-Y166 PolarHBondContact O-N 2.9Å; I164-Y166 HydrophobicContact CB-CE1 4.49Å; I164-Y166 HydrophobicContact CB-CE2 4.48Å; I164-Y166 HydrophobicContact CG2-CD1 3.92Å; I164-Y166 HydrophobicContact CG2-CD2 4.47Å; I164-Y166 HydrophobicContact CG2-CE1 3.45Å; I164-Y166 VanDerWaalsContact CG2-CE1 3.45Å; I164-Y166 HydrophobicContact CG2-CE2 4.09Å; I164-Y166 HydrophobicContact CG2-CG 4.4Å; Y166-D176 VanDerWaalsContact CA-O 3.31Å; Y166-D176 WeakPolarHBondContact CA-O 3.31Å; Y166-A177 HydrophobicContact CD1-CB 3.79Å; Y166-A177 HydrophobicContact CE1-CB 3.96Å; Y166-I208 HydrophobicContact CE2-CD1 4.1Å; Y166-L214 HydrophobicContact CD1-CD1 3.73Å; Y166-L214 HydrophobicContact CD2-CD1 4.27Å; Y166-L214 HydrophobicContact CD2-CD2 3.62Å; Y166-L214 HydrophobicContact CE1-CD1 4.14Å; Y166-L214 HydrophobicContact CE2-CD2 3.97Å; Y166-L214 HydrophobicContact CG-CD1 3.8Å; Y166-L214 HydrophobicContact CG-CD2 3.95Å; Y166-L214 HydrophobicContact CG-CG 4.5Å; Y166-P229 HydrophobicContact CD1-CB 4.34Å; Y166-P229 HydrophobicContact CE1-CB 3.54Å; Y166-P229 HydrophobicContact CE1-CG 4Å
167	Y	99	Very high	98.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.1	-173	177.5	-105.1	0	0	0	111.7	L134 F147 V150 S153 G155 L156 F165 D169 D176 F178	L134-Y167 HydrophobicContact CD1-CD2 4.44Å; L134-Y167 HydrophobicContact CD1-CE2 3.92Å; L134-Y167 HydrophobicContact CD2-CD2 4.2Å; L134-Y167 HydrophobicContact CD2-CE2 4.19Å; L134-Y167 HydrophobicContact CG-CE2 4.49Å; F147-Y167 HydrophobicContact CE2-CD1 4.45Å; F147-Y167 AromaticContact CE2-CE1 3.83Å; F147-Y167 HydrophobicContact CE2-CE1 3.83Å; F147-Y167 AromaticContact CZ-CD1 3.91Å; F147-Y167 HydrophobicContact CZ-CD1 3.91Å; F147-Y167 AromaticContact CZ-CE1 3.7Å; F147-Y167 HydrophobicContact CZ-CE1 3.7Å; F147-Y167 HydrophobicContact CZ-CG 4.5Å; V150-Y167 WeakPolarHBondContact CG1-OH 3.34Å; S153-Y167 WeakPolarHBondContact CA-OH 3.43Å; S153-Y167 WeakPolarHBondContact CB-OH 3.26Å; S153-Y167 PolarHBondContact OG-OH 2.86Å; G155-Y167 CarbonylContact O-C 3.51Å; G155-Y167 WeakPolarHBondContact O-CA 3.41Å; L156-Y167 HydrophobicContact CB-CD2 4.3Å; F165-Y167 HydrophobicContact CE1-CD2 4.22Å; F165-Y167 HydrophobicContact CE1-CG 4.12Å; F165-Y167 AromaticContact CZ-CD2 3.87Å; F165-Y167 HydrophobicContact CZ-CD2 3.87Å; F165-Y167 HydrophobicContact CZ-CG 4.17Å; Y167-D169 HydrophobicContact CE1-CB 4.06Å; Y167-D176 PolarHBondContact N-O 2.88Å; Y167-D176 PolarHBondContact O-N 2.98Å; Y167-F178 HydrophobicContact CD1-CE2 4.4Å
168	I	99	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.8	175.2	-67.6	164.9	0	0	0	108	N154 G155 V175 P203 D204 M206 V216	N154-I168 CarbonylContact C-O 3.51Å; N154-I168 WeakPolarHBondContact CA-O 3.11Å; N154-I168 HydrophobicContact CB-CB 4.32Å; N154-I168 HydrophobicContact CB-CG2 4Å; N154-I168 PolarHBondContact N-O 3.25Å; G155-I168 WeakPolarHBondContact O-CB 3.14Å; G155-I168 PolarHBondContact O-N 2.8Å; I168-V175 HydrophobicContact CD1-CG2 4.09Å; I168-V175 HydrophobicContact CG1-CB 4.38Å; I168-V175 HydrophobicContact CG1-CG1 4.31Å; I168-V175 HydrophobicContact CG1-CG2 3.99Å; I168-P203 HydrophobicContact CD1-CB 4.17Å; I168-P203 HydrophobicContact CG1-CB 4.49Å; I168-P203 HydrophobicContact CG2-CB 3.71Å; I168-P203 HydrophobicContact CG2-CG 3.73Å; I168-D204 WeakPolarHBondContact CD1-O 3.37Å; I168-M206 HydrophobicContact CD1-CB 3.85Å; I168-M206 HydrophobicContact CD1-CE 4.03Å; I168-M206 HydrophobicContact CD1-CG 4.5Å; I168-M206 HydrophobicContact CD1-SD 4Å; I168-M206 HydrophobicContact CG1-CE 4.13Å; I168-V216 HydrophobicContact CD1-CG1 3.85Å; I168-V216 HydrophobicContact CD1-CG2 4.17Å
169	D	98.9	Very high	98.9	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.3	151.8	-178.8	-11.1	0	0	0	106.9	V150 D151 I152 Y167 L171 S172	V150-D169 WeakPolarHBondContact CA-OD2 3.41Å; V150-D169 HydrophobicContact CG1-CB 4.48Å; D151-D169 WeakPolarHBondContact CB-OD1 3.5Å; D151-D169 PolarHBondContact N-OD1 2.74Å; D151-D169 PolarHBondContact N-OD2 3.42Å; I152-D169 PolarHBondContact N-OD1 2.8Å; I152-D169 WeakPolarHBondContact O-CA 3.25Å; Y167-D169 HydrophobicContact CE1-CB 4.06Å; D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.08Å; D169-S172 VanDerWaalsContact O-CB 3.31Å; D169-S172 WeakPolarHBondContact O-CB 3.44Å; D169-S172 PolarHBondContact O-N 3.2Å; D169-S172 PolarHBondContact O-OG 3.32Å
170	S	98.8	Very high	98.9	Very high	2 Å²	2	33 Å²	33	1%	0.014	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-54.7	-39.1	-165.5	-65.9	0	0	0	0	113.2	I152 N154 S172 Y173 P203	I152-S170 PolarHBondContact O-N 3.36Å; N154-S170 VanDerWaalsContact CB-OG 3.25Å; N154-S170 WeakPolarHBondContact CB-OG 3.43Å; N154-S170 PolarHBondContact ND2-OG 3.26Å; S170-S172 VanDerWaalsContact C-N 3.29Å; S170-S172 PolarHBondContact O-N 3.35Å; S170-Y173 PolarHBondContact O-N 2.74Å; S170-P203 WeakPolarHBondContact CA-O 3.29Å; S170-P203 WeakPolarHBondContact CB-O 3.42Å; S170-P203 VanDerWaalsContact O-CD 3.24Å; S170-P203 WeakPolarHBondContact O-CD 3.35Å; S170-P203 PolarHBondContact OG-O 2.86Å
171	L	98.6	Very high	98.9	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.126	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-90.6	4.4	-174.5	-57.6	-174.2	0	0	0	113.6	A125 L127 R129 D151 I152 D169 Y173 I202	A125-L171 HydrophobicContact CB-CD1 4.1Å; A125-L171 HydrophobicContact CB-CD2 4.1Å; L127-L171 HydrophobicContact CD2-CD1 4.07Å; R129-L171 VanDerWaalsContact NH2-CD1 3.28Å; D151-L171 HydrophobicContact CB-CB 4.09Å; I152-L171 HydrophobicContact CD1-CD1 3.7Å; I152-L171 HydrophobicContact CD1-CG 3.94Å; I152-L171 HydrophobicContact CG1-CD1 4.12Å; I152-L171 HydrophobicContact CG1-CG 4.27Å; D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.08Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 HydrophobicContact CD2-CE2 4.41Å; L171-Y173 WeakPolarHBondContact O-CD2 3.35Å; L171-I202 HydrophobicContact CD2-CD1 4.13Å; L171-I202 HydrophobicContact CD2-CG1 4.39Å; L171-I202 HydrophobicContact CD2-CG2 4.19Å
172	S	98.6	Very high	98.9	Very high	49 Å²	49	31.1 Å²	31.1	34%	0.343	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-78.6	-14.5	160	77.6	0	0	0	0	113.2	D169 S170 S174	D169-S172 VanDerWaalsContact O-CB 3.31Å; D169-S172 WeakPolarHBondContact O-CB 3.44Å; D169-S172 PolarHBondContact O-N 3.2Å; D169-S172 PolarHBondContact O-OG 3.32Å; S170-S172 VanDerWaalsContact C-N 3.29Å; S170-S172 PolarHBondContact O-N 3.35Å; S172-S174 PolarHBondContact O-N 2.73Å; S172-S174 PolarHBondContact OG-N 2.87Å
173	Y	98.7	Very high	98.9	Very high	109 Å²	109	37.1 Å²	37.1	43%	0.427	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	33.1	-175.4	-62.9	-90.2	0	0	0	113.4	S170 L171 L196 Q201 I202	S170-Y173 PolarHBondContact O-N 2.74Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 HydrophobicContact CD2-CE2 4.41Å; L171-Y173 WeakPolarHBondContact O-CD2 3.35Å; Y173-L196 WeakPolarHBondContact O-CD1 3.32Å; Y173-L196 PolarHBondContact O-N 2.75Å; Y173-Q201 WeakPolarHBondContact CD1-O 3.44Å; Y173-I202 HydrophobicContact CE1-CG1 3.87Å
174	S	98.9	Very high	98.9	Very high	8 Å²	8	33.6 Å²	33.6	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.6	-177.1	-160.9	0	0	0	0	111.8	S172 S192 Y194	S172-S174 PolarHBondContact O-N 2.73Å; S172-S174 PolarHBondContact OG-N 2.87Å; S174-S192 WeakPolarHBondContact OG-CB 3.35Å; S174-S192 PolarHBondContact OG-OG 2.69Å; S174-Y194 CarbonylContact C-O 3.47Å; S174-Y194 WeakPolarHBondContact CA-O 3.44Å; S174-Y194 WeakPolarHBondContact CB-O 3.35Å; S174-Y194 PolarHBondContact OG-O 2.72Å
175	V	99	Very high	98.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.9	159.5	-172.4	0	0	0	0	107.1	I168 V193 Y194 M206 L214 V216 L227	I168-V175 HydrophobicContact CD1-CG2 4.09Å; I168-V175 HydrophobicContact CG1-CB 4.38Å; I168-V175 HydrophobicContact CG1-CG1 4.31Å; I168-V175 HydrophobicContact CG1-CG2 3.99Å; V175-V193 HydrophobicContact CB-CG2 4.1Å; V175-V193 HydrophobicContact CG1-CG2 3.91Å; V175-V193 WeakPolarHBondContact O-CG2 3.12Å; V175-V193 PolarHBondContact O-N 3.42Å; V175-Y194 HydrophobicContact CG2-CD1 4.47Å; V175-Y194 PolarHBondContact N-O 2.86Å; V175-Y194 PolarHBondContact O-N 2.82Å; V175-M206 HydrophobicContact CG1-CE 4.05Å; V175-M206 HydrophobicContact CG1-SD 3.8Å; V175-L214 HydrophobicContact CG1-CD1 3.95Å; V175-V216 HydrophobicContact CG2-CG2 4.04Å; V175-L227 HydrophobicContact CG2-CD1 3.81Å
176	D	98.9	Very high	98.8	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	160	175.4	-70.9	-24.7	0	0	0	110.9	Y166 Y167 F178 R190 R191 S192	Y166-D176 VanDerWaalsContact CA-O 3.31Å; Y166-D176 WeakPolarHBondContact CA-O 3.31Å; Y167-D176 PolarHBondContact N-O 2.88Å; Y167-D176 PolarHBondContact O-N 2.98Å; D176-F178 HydrophobicContact CB-CE2 4.24Å; D176-R190 HydrophobicContact CB-CG 4.39Å; D176-R190 IonicContact OD2-CZ 3.5Å; D176-R190 IonicContact OD2-NE 3.46Å; D176-R190 PolarHBondContact OD2-NE 2.75Å; D176-R190 IonicContact OD2-NH2 2.92Å; D176-R190 PolarHBondContact OD2-NH2 3.21Å; D176-R191 CarbonylContact C-O 3.6Å; D176-R191 VanDerWaalsContact CA-O 3.29Å; D176-R191 WeakPolarHBondContact CA-O 3.04Å; D176-S192 WeakPolarHBondContact OD1-CA 3.39Å; D176-S192 PolarHBondContact OD1-N 2.88Å
177	A	99	Very high	98.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153	171.8	0	0	0	0	0	110.7	I164 F165 Y166 R190 R191 V193	I164-A177 HydrophobicContact CG2-CB 3.81Å; F165-A177 CarbonylContact O-C 3.46Å; F165-A177 VanDerWaalsContact O-CA 3.27Å; F165-A177 WeakPolarHBondContact O-CA 3.36Å; Y166-A177 HydrophobicContact CD1-CB 3.79Å; Y166-A177 HydrophobicContact CE1-CB 3.96Å; A177-R190 WeakPolarHBondContact O-CA 3.48Å; A177-R191 VanDerWaalsContact C-CZ 3.47Å; A177-R191 PolarHBondContact N-O 2.72Å; A177-R191 VanDerWaalsContact O-CD 3.25Å; A177-R191 WeakPolarHBondContact O-CD 3.35Å; A177-R191 PolarHBondContact O-N 2.96Å; A177-R191 PolarHBondContact O-NE 3.03Å; A177-R191 PolarHBondContact O-NH1 2.91Å; A177-V193 HydrophobicContact CB-CG1 3.51Å; A177-V193 HydrophobicContact CB-CG2 4.38Å
178	F	98.9	Very high	98.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	177.3	-60.8	-107	0	0	0	109	F147 I164 F165 Y167 D176 I187 S188 R190	F147-F178 HydrophobicContact CD1-CE1 4.24Å; F147-F178 HydrophobicContact CD1-CZ 4.37Å; F147-F178 AromaticContact CE1-CE1 3.76Å; F147-F178 HydrophobicContact CE1-CE1 3.76Å; F147-F178 HydrophobicContact CE1-CE2 4.39Å; F147-F178 AromaticContact CE1-CZ 3.54Å; F147-F178 HydrophobicContact CE1-CZ 3.54Å; F147-F178 AromaticContact CZ-CZ 3.88Å; F147-F178 HydrophobicContact CZ-CZ 3.88Å; I164-F178 CarbonylContact C-O 3.51Å; I164-F178 VanDerWaalsContact CA-O 3.24Å; I164-F178 WeakPolarHBondContact CA-O 3.49Å; I164-F178 WeakPolarHBondContact CG2-O 3.21Å; F165-F178 HydrophobicContact CB-CB 4.35Å; F165-F178 HydrophobicContact CD1-CB 4.29Å; F165-F178 AromaticContact CD1-CD2 3.71Å; F165-F178 HydrophobicContact CD1-CD2 3.71Å; F165-F178 HydrophobicContact CD1-CE2 4.33Å; F165-F178 HydrophobicContact CD1-CG 4.17Å; F165-F178 HydrophobicContact CE1-CD2 4.23Å; F165-F178 HydrophobicContact CE1-CE2 4.41Å; F165-F178 PolarHBondContact N-O 3Å; F165-F178 PolarHBondContact O-N 3.23Å; Y167-F178 HydrophobicContact CD1-CE2 4.4Å; D176-F178 HydrophobicContact CB-CE2 4.24Å; F178-I187 HydrophobicContact CB-CB 3.85Å; F178-I187 HydrophobicContact CB-CG2 4.32Å; F178-I187 HydrophobicContact CD1-CB 4.15Å; F178-I187 HydrophobicContact CD1-CD1 3.99Å; F178-I187 HydrophobicContact CD1-CG1 4.14Å; F178-I187 HydrophobicContact CE1-CD1 4.16Å; F178-I187 HydrophobicContact CG-CB 4.22Å; F178-I187 HydrophobicContact CG-CD1 4.27Å; F178-S188 CarbonylContact C-O 3.51Å; F178-S188 WeakPolarHBondContact CA-O 3.41Å; F178-S188 WeakPolarHBondContact CB-O 3.37Å; F178-R190 HydrophobicContact CD1-CB 3.85Å; F178-R190 HydrophobicContact CD1-CG 4.3Å; F178-R190 HydrophobicContact CE1-CB 3.41Å; F178-R190 VanDerWaalsContact CE1-CB 3.41Å; F178-R190 HydrophobicContact CE1-CG 3.57Å; F178-R190 HydrophobicContact CE2-CG 4.02Å; F178-R190 HydrophobicContact CZ-CB 3.84Å; F178-R190 VanDerWaalsContact CZ-CD 3.44Å; F178-R190 HydrophobicContact CZ-CG 3.4Å; F178-R190 VanDerWaalsContact CZ-CG 3.4Å
179	D	98.9	Very high	98.8	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.2	165.2	-58.2	-16.9	0	0	0	106.3	I187 S188 N189 R191	D179-I187 CarbonylContact O-C 3.54Å; D179-I187 WeakPolarHBondContact O-CA 3.21Å; D179-S188 PolarHBondContact N-O 3.05Å; D179-S188 PolarHBondContact O-N 3.37Å; D179-N189 WeakPolarHBondContact OD2-CB 3.2Å; D179-N189 PolarHBondContact OD2-ND2 2.81Å; D179-R191 IonicContact OD1-CZ 3.22Å; D179-R191 IonicContact OD1-NH1 2.67Å; D179-R191 PolarHBondContact OD1-NH1 3Å; D179-R191 IonicContact OD1-NH2 2.68Å; D179-R191 PolarHBondContact OD1-NH2 3.09Å
180	Y	98.9	Very high	98.8	Very high	11 Å²	11	50.7 Å²	50.7	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	-173.9	169.8	-102.5	0	0	0	109.9	D108 R112 F114 W158 H162 K163 F165 L182 Q186 I187	D108-Y180 PolarHBondContact OD2-OH 2.85Å; R112-Y180 PolarHBondContact NH1-OH 3.15Å; F114-Y180 HydrophobicContact CZ-CE2 4.38Å; W158-Y180 AromaticContact CD1-CD1 3.7Å; W158-Y180 AromaticContact CD1-CE1 3.76Å; W158-Y180 AromaticContact CD1-CG 3.89Å; W158-Y180 AromaticContact NE1-CD2 3.89Å; W158-Y180 AromaticContact NE1-CE2 3.72Å; W158-Y180 AromaticContact NE1-CZ 3.85Å; H162-Y180 VanDerWaalsContact O-CD1 3.31Å; H162-Y180 WeakPolarHBondContact O-CD1 3.18Å; K163-Y180 WeakPolarHBondContact CA-O 3.28Å; K163-Y180 PolarHBondContact O-N 3.42Å; F165-Y180 HydrophobicContact CB-CD2 4.38Å; F165-Y180 HydrophobicContact CB-CG 4.31Å; Y180-L182 HydrophobicContact CE1-CB 4.13Å; Y180-L182 HydrophobicContact CE1-CD1 3.97Å; Y180-Q186 WeakPolarHBondContact CA-O 3.36Å; Y180-I187 HydrophobicContact CD2-CG2 3.79Å
181	D	98.9	Very high	98.8	Very high	68 Å²	68	54.2 Å²	54.2	36%	0.364	27%	0.269	S	S	.	.			trans	-99.8	110.4	174.5	177.6	-99.2	0	0	0	110.3	Q183 T184 G185 Q186	D181-Q183 VanDerWaalsContact C-N 3.27Å; D181-Q183 PolarHBondContact O-N 2.87Å; D181-Q183 PolarHBondContact OD1-N 3.14Å; D181-T184 PolarHBondContact O-N 3.44Å; D181-T184 VanDerWaalsContact OD1-CB 3.24Å; D181-T184 WeakPolarHBondContact OD1-CB 3.32Å; D181-T184 VanDerWaalsContact OD1-CG2 3.28Å; D181-T184 WeakPolarHBondContact OD1-CG2 3.47Å; D181-T184 PolarHBondContact OD1-N 2.66Å; D181-T184 PolarHBondContact OD1-OG1 3.18Å; D181-G185 VanDerWaalsContact O-CA 3.3Å; D181-G185 WeakPolarHBondContact O-CA 3.33Å; D181-G185 PolarHBondContact O-N 2.96Å; D181-Q186 HydrophobicContact CB-CB 4.49Å; D181-Q186 PolarHBondContact N-O 2.66Å
182	L	98.8	Very high	98.8	Very high	59 Å²	59	55.6 Å²	55.6	31%	0.309	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.7	-176.6	-179.2	62.2	0	0	0	113.3	P109 A110 R112 H162 Y180	P109-L182 HydrophobicContact CB-CD1 3.77Å; P109-L182 HydrophobicContact CG-CD1 4.47Å; A110-L182 HydrophobicContact CB-CD1 3.84Å; R112-L182 PolarHBondContact NH1-O 2.91Å; R112-L182 VanDerWaalsContact NH1-O 3.14Å; R112-L182 PolarHBondContact NH2-O 3.04Å; H162-L182 HydrophobicContact CB-CB 4.31Å; H162-L182 HydrophobicContact CB-CD1 4.19Å; H162-L182 HydrophobicContact CB-CD2 3.98Å; H162-L182 HydrophobicContact CB-CG 4.4Å; Y180-L182 HydrophobicContact CE1-CB 4.13Å; Y180-L182 HydrophobicContact CE1-CD1 3.97Å
183	Q	98.7	Very high	98.8	Very high	176 Å²	176	54.4 Å²	54.4	82%	0.822	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-37.9	-174.8	-68.7	-170.3	-9.4	0	0	112.4	R112 D181	R112-Q183 VanDerWaalsContact NH2-C 3.32Å; R112-Q183 PolarHBondContact NH2-O 2.87Å; D181-Q183 VanDerWaalsContact C-N 3.27Å; D181-Q183 PolarHBondContact O-N 2.87Å; D181-Q183 PolarHBondContact OD1-N 3.14Å
184	T	98.7	Very high	98.9	Very high	59 Å²	59	50.1 Å²	50.1	36%	0.362	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-13.7	-173.8	65.9	0	0	0	0	114	D181 Q186	D181-T184 PolarHBondContact O-N 3.44Å; D181-T184 VanDerWaalsContact OD1-CB 3.24Å; D181-T184 WeakPolarHBondContact OD1-CB 3.32Å; D181-T184 VanDerWaalsContact OD1-CG2 3.28Å; D181-T184 WeakPolarHBondContact OD1-CG2 3.47Å; D181-T184 PolarHBondContact OD1-N 2.66Å; D181-T184 PolarHBondContact OD1-OG1 3.18Å; T184-Q186 PolarHBondContact O-N 3.49Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.34Å; T184-Q186 WeakPolarHBondContact OG1-CG 3.18Å; T184-Q186 PolarHBondContact OG1-N 2.88Å
185	G	98.7	Very high	98.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.			trans	71.6	6.5	-172.1	0	0	0	0	0	113.7	Y146 D181	Y146-G185 WeakPolarHBondContact CE1-O 3.46Å; Y146-G185 PolarHBondContact OH-O 2.77Å; Y146-G185 VanDerWaalsContact OH-O 3.11Å; D181-G185 VanDerWaalsContact O-CA 3.3Å; D181-G185 WeakPolarHBondContact O-CA 3.33Å; D181-G185 PolarHBondContact O-N 2.96Å
186	Q	98.8	Very high	98.8	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	29%	0.29	S	S	.	.			trans	-66.8	144.1	-178.8	-73.4	-176.3	34.3	0	0	111.8	Y180 D181 T184	Y180-Q186 WeakPolarHBondContact CA-O 3.36Å; D181-Q186 HydrophobicContact CB-CB 4.49Å; D181-Q186 PolarHBondContact N-O 2.66Å; T184-Q186 PolarHBondContact O-N 3.49Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.34Å; T184-Q186 WeakPolarHBondContact OG1-CG 3.18Å; T184-Q186 PolarHBondContact OG1-N 2.88Å
187	I	98.9	Very high	98.8	Very high	28 Å²	28	61.2 Å²	61.2	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.6	172.2	64.3	-179.5	0	0	0	111.3	L134 Y146 F147 F165 F178 D179 Y180	L134-I187 HydrophobicContact CD2-CD1 4.29Å; Y146-I187 HydrophobicContact CD1-CD1 3.76Å; Y146-I187 HydrophobicContact CD1-CG1 3.58Å; Y146-I187 HydrophobicContact CE1-CG1 4.21Å; Y146-I187 HydrophobicContact CG-CD1 3.91Å; Y146-I187 HydrophobicContact CG-CG1 4.24Å; F147-I187 HydrophobicContact CD1-CD1 4.14Å; F147-I187 HydrophobicContact CE1-CD1 3.7Å; F165-I187 HydrophobicContact CB-CG2 4.04Å; F165-I187 HydrophobicContact CD1-CD1 3.99Å; F165-I187 HydrophobicContact CD1-CG2 3.94Å; F165-I187 HydrophobicContact CE1-CD1 4.1Å; F165-I187 HydrophobicContact CG-CG2 4.26Å; F178-I187 HydrophobicContact CB-CB 3.85Å; F178-I187 HydrophobicContact CB-CG2 4.32Å; F178-I187 HydrophobicContact CD1-CB 4.15Å; F178-I187 HydrophobicContact CD1-CD1 3.99Å; F178-I187 HydrophobicContact CD1-CG1 4.14Å; F178-I187 HydrophobicContact CE1-CD1 4.16Å; F178-I187 HydrophobicContact CG-CB 4.22Å; F178-I187 HydrophobicContact CG-CD1 4.27Å; D179-I187 CarbonylContact O-C 3.54Å; D179-I187 WeakPolarHBondContact O-CA 3.21Å; Y180-I187 HydrophobicContact CD2-CG2 3.79Å
188	S	98.9	Very high	98.8	Very high	61 Å²	61	70.1 Å²	70.1	43%	0.427	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	175.3	178.8	57.8	0	0	0	0	112.5	F178 D179 R190	F178-S188 CarbonylContact C-O 3.51Å; F178-S188 WeakPolarHBondContact CA-O 3.41Å; F178-S188 WeakPolarHBondContact CB-O 3.37Å; D179-S188 PolarHBondContact N-O 3.05Å; D179-S188 PolarHBondContact O-N 3.37Å; S188-R190 PolarHBondContact O-N 2.94Å
189	N	98.7	Very high	98.8	Very high	110 Å²	110	74.6 Å²	74.6	59%	0.588	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	53.5	173.3	-60.1	-31.2	0	0	0	113.7	D179 R191	D179-N189 WeakPolarHBondContact OD2-CB 3.2Å; D179-N189 PolarHBondContact OD2-ND2 2.81Å; N189-R191 WeakPolarHBondContact O-CD 3.36Å; N189-R191 PolarHBondContact O-N 2.94Å; N189-R191 PolarHBondContact O-NH1 2.85Å
190	R	98.8	Very high	98.8	Very high	108 Å²	108	71.7 Å²	71.7	41%	0.408	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	127.3	174.4	-172.5	173.4	-177.5	168.9	-2.8	110.2	D176 A177 F178 S188	D176-R190 HydrophobicContact CB-CG 4.39Å; D176-R190 IonicContact OD2-CZ 3.5Å; D176-R190 IonicContact OD2-NE 3.46Å; D176-R190 PolarHBondContact OD2-NE 2.75Å; D176-R190 IonicContact OD2-NH2 2.92Å; D176-R190 PolarHBondContact OD2-NH2 3.21Å; A177-R190 WeakPolarHBondContact O-CA 3.48Å; F178-R190 HydrophobicContact CD1-CB 3.85Å; F178-R190 HydrophobicContact CD1-CG 4.3Å; F178-R190 HydrophobicContact CE1-CB 3.41Å; F178-R190 VanDerWaalsContact CE1-CB 3.41Å; F178-R190 HydrophobicContact CE1-CG 3.57Å; F178-R190 HydrophobicContact CE2-CG 4.02Å; F178-R190 HydrophobicContact CZ-CB 3.84Å; F178-R190 VanDerWaalsContact CZ-CD 3.44Å; F178-R190 HydrophobicContact CZ-CG 3.4Å; F178-R190 VanDerWaalsContact CZ-CG 3.4Å; S188-R190 PolarHBondContact O-N 2.94Å
191	R	98.9	Very high	98.7	Very high	75 Å²	75	74.8 Å²	74.8	28%	0.283	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.7	174.2	69.8	-78	170.4	-179.8	0.7	110.9	D176 A177 D179 N189	D176-R191 CarbonylContact C-O 3.6Å; D176-R191 VanDerWaalsContact CA-O 3.29Å; D176-R191 WeakPolarHBondContact CA-O 3.04Å; A177-R191 VanDerWaalsContact C-CZ 3.47Å; A177-R191 PolarHBondContact N-O 2.72Å; A177-R191 VanDerWaalsContact O-CD 3.25Å; A177-R191 WeakPolarHBondContact O-CD 3.35Å; A177-R191 PolarHBondContact O-N 2.96Å; A177-R191 PolarHBondContact O-NE 3.03Å; A177-R191 PolarHBondContact O-NH1 2.91Å; D179-R191 IonicContact OD1-CZ 3.22Å; D179-R191 IonicContact OD1-NH1 2.67Å; D179-R191 PolarHBondContact OD1-NH1 3Å; D179-R191 IonicContact OD1-NH2 2.68Å; D179-R191 PolarHBondContact OD1-NH2 3.09Å; N189-R191 WeakPolarHBondContact O-CD 3.36Å; N189-R191 PolarHBondContact O-N 2.94Å; N189-R191 PolarHBondContact O-NH1 2.85Å
192	S	98.8	Very high	98.7	Very high	54 Å²	54	72.2 Å²	72.2	38%	0.378	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.2	170.7	177.6	0	0	0	0	110.1	S174 D176	S174-S192 WeakPolarHBondContact OG-CB 3.35Å; S174-S192 PolarHBondContact OG-OG 2.69Å; D176-S192 WeakPolarHBondContact OD1-CA 3.39Å; D176-S192 PolarHBondContact OD1-N 2.88Å
193	V	98.9	Very high	98.7	Very high	24 Å²	24	69.4 Å²	69.4	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-22	172.9	-65.4	0	0	0	0	112.1	V175 A177 P229 G232	V175-V193 HydrophobicContact CB-CG2 4.1Å; V175-V193 HydrophobicContact CG1-CG2 3.91Å; V175-V193 WeakPolarHBondContact O-CG2 3.12Å; V175-V193 PolarHBondContact O-N 3.42Å; A177-V193 HydrophobicContact CB-CG1 3.51Å; A177-V193 HydrophobicContact CB-CG2 4.38Å; V193-P229 HydrophobicContact CB-CB 4.47Å; V193-P229 HydrophobicContact CG2-CB 4.31Å; V193-G232 WeakPolarHBondContact O-CA 3.47Å
194	Y	98.9	Very high	98.7	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.071	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.4	174.3	-173.6	-103.8	0	0	0	110.8	S174 V175 L196 E200 I225 L227 R234	S174-Y194 CarbonylContact C-O 3.47Å; S174-Y194 WeakPolarHBondContact CA-O 3.44Å; S174-Y194 WeakPolarHBondContact CB-O 3.35Å; S174-Y194 PolarHBondContact OG-O 2.72Å; V175-Y194 HydrophobicContact CG2-CD1 4.47Å; V175-Y194 PolarHBondContact N-O 2.86Å; V175-Y194 PolarHBondContact O-N 2.82Å; Y194-L196 HydrophobicContact CD1-CD1 3.97Å; Y194-L196 HydrophobicContact CD1-CG 4.37Å; Y194-L196 HydrophobicContact CE1-CD1 4.14Å; Y194-L196 HydrophobicContact CE1-CG 4.03Å; Y194-E200 WeakPolarHBondContact CE1-OE2 3.37Å; Y194-E200 PolarHBondContact OH-OE1 2.88Å; Y194-E200 PolarHBondContact OH-OE2 2.52Å; Y194-I225 HydrophobicContact CE1-CD1 3.82Å; Y194-L227 HydrophobicContact CD1-CD1 3.55Å; Y194-L227 HydrophobicContact CD1-CD2 3.88Å; Y194-L227 HydrophobicContact CD1-CG 4.36Å; Y194-L227 HydrophobicContact CD2-CD1 4.42Å; Y194-L227 HydrophobicContact CD2-CD2 3.86Å; Y194-L227 HydrophobicContact CE1-CD1 4.13Å; Y194-L227 HydrophobicContact CE1-CD2 3.71Å; Y194-L227 HydrophobicContact CE2-CD2 3.7Å; Y194-L227 HydrophobicContact CG-CD1 3.72Å; Y194-L227 HydrophobicContact CG-CD2 3.94Å; Y194-L227 HydrophobicContact CG-CG 4.38Å; Y194-R234 HydrophobicContact CE2-CB 4.12Å
195	K	98.8	Very high	98.8	Very high	155 Å²	155	58.7 Å²	58.7	67%	0.674	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	171.3	-68.3	-177.8	178.5	-178.2	0	108.1
196	L	98.8	Very high	98.8	Very high	24 Å²	24	58.8 Å²	58.8	13%	0.126	28%	0.281	C	S	.	.			trans	-69.4	140.4	-175	-83	76.1	0	0	0	111.3	Y173 Y194 E200 Q201 P203	Y173-L196 WeakPolarHBondContact O-CD1 3.32Å; Y173-L196 PolarHBondContact O-N 2.75Å; Y194-L196 HydrophobicContact CD1-CD1 3.97Å; Y194-L196 HydrophobicContact CD1-CG 4.37Å; Y194-L196 HydrophobicContact CE1-CD1 4.14Å; Y194-L196 HydrophobicContact CE1-CG 4.03Å; L196-E200 VanDerWaalsContact CA-OE2 3.32Å; L196-E200 WeakPolarHBondContact CA-OE2 3.26Å; L196-E200 HydrophobicContact CB-CB 4.22Å; L196-E200 HydrophobicContact CD2-CB 3.92Å; L196-E200 HydrophobicContact CG-CB 4.23Å; L196-Q201 WeakPolarHBondContact CD2-O 3.46Å; L196-P203 HydrophobicContact CD1-CB 3.71Å; L196-P203 HydrophobicContact CD1-CG 3.75Å; L196-P203 HydrophobicContact CD2-CB 3.62Å; L196-P203 HydrophobicContact CD2-CG 3.9Å; L196-P203 HydrophobicContact CG-CB 4.3Å; L196-P203 HydrophobicContact CG-CG 4.44Å
197	E	98.7	Very high	98.8	Very high	76 Å²	76	53.8 Å²	53.8	36%	0.355	26%	0.258	S	S	.	.			trans	-71	153.9	166.6	-62	177.8	170.3	0	0	109.6	E199 E200 R234	E197-E199 HydrophobicContact CB-CG 4.32Å; E197-E199 PolarHBondContact O-N 2.68Å; E197-E200 HydrophobicContact CB-CG 4.06Å; E197-E200 PolarHBondContact N-OE2 2.8Å; E197-E200 WeakPolarHBondContact O-CB 3.44Å; E197-E200 PolarHBondContact O-N 3.09Å; E197-R234 IonicContact OE1-CZ 3.37Å; E197-R234 IonicContact OE1-NH1 3.75Å; E197-R234 IonicContact OE1-NH2 3.94Å; E197-R234 PolarHBondContact OE1-NH2 3.33Å; E197-R234 IonicContact OE2-CZ 2.84Å; E197-R234 IonicContact OE2-NH1 3.44Å; E197-R234 PolarHBondContact OE2-NH1 3Å; E197-R234 IonicContact OE2-NH2 3.19Å; E197-R234 PolarHBondContact OE2-NH2 2.95Å
198	K	98.3	Very high	98.8	Very high	187 Å²	187	52.5 Å²	52.5	81%	0.813	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-58.5	-37.3	-173.5	-173.7	176.8	-179.3	179.3	0	112.5	E200 Q201	K198-E200 VanDerWaalsContact C-N 3.25Å; K198-E200 PolarHBondContact O-N 3.29Å; K198-Q201 PolarHBondContact O-N 2.85Å; K198-Q201 PolarHBondContact O-NE2 2.96Å
199	E	98.2	Very high	98.8	Very high	100 Å²	100	49.6 Å²	49.6	47%	0.467	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-71.7	-15.1	177.4	59.5	-97.3	-123	0	0	114.4	E197 Q201 R223	E197-E199 HydrophobicContact CB-CG 4.32Å; E197-E199 PolarHBondContact O-N 2.68Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; E199-R223 PolarHBondContact O-NH1 2.86Å; E199-R223 PolarHBondContact O-NH2 3.03Å
200	E	98.8	Very high	98.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-82.4	-14.8	175.2	-59.3	177.5	146.4	0	0	111.4	Y194 L196 E197 K198 C218 I225 R234	Y194-E200 WeakPolarHBondContact CE1-OE2 3.37Å; Y194-E200 PolarHBondContact OH-OE1 2.88Å; Y194-E200 PolarHBondContact OH-OE2 2.52Å; L196-E200 VanDerWaalsContact CA-OE2 3.32Å; L196-E200 WeakPolarHBondContact CA-OE2 3.26Å; L196-E200 HydrophobicContact CB-CB 4.22Å; L196-E200 HydrophobicContact CD2-CB 3.92Å; L196-E200 HydrophobicContact CG-CB 4.23Å; E197-E200 HydrophobicContact CB-CG 4.06Å; E197-E200 PolarHBondContact N-OE2 2.8Å; E197-E200 WeakPolarHBondContact O-CB 3.44Å; E197-E200 PolarHBondContact O-N 3.09Å; K198-E200 VanDerWaalsContact C-N 3.25Å; K198-E200 PolarHBondContact O-N 3.29Å; E200-C218 WeakPolarHBondContact O-CB 3.28Å; E200-I225 HydrophobicContact CG-CD1 4.4Å; E200-I225 WeakPolarHBondContact OE1-CD1 3.41Å; E200-R234 WeakPolarHBondContact OE1-CD 3.34Å; E200-R234 IonicContact OE1-CZ 3.88Å; E200-R234 IonicContact OE1-NE 3.84Å; E200-R234 IonicContact OE1-NH1 3.82Å; E200-R234 PolarHBondContact OE1-NH1 3.45Å
201	Q	98.6	Very high	98.8	Very high	76 Å²	76	46.6 Å²	46.6	36%	0.355	23%	0.227	S	C	.	.			trans	61.2	-134	175.7	-56	-67.1	-39.9	0	0	111.7	Y173 L196 K198 E199 Y219 N220	Y173-Q201 WeakPolarHBondContact CD1-O 3.44Å; L196-Q201 WeakPolarHBondContact CD2-O 3.46Å; K198-Q201 PolarHBondContact O-N 2.85Å; K198-Q201 PolarHBondContact O-NE2 2.96Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; Q201-Y219 WeakPolarHBondContact CB-O 3.42Å; Q201-N220 HydrophobicContact CB-CB 4.18Å; Q201-N220 HydrophobicContact CG-CB 4.15Å
202	I	98.8	Very high	98.8	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.9	-169.7	-61.2	173.8	0	0	0	108.7	A125 L171 Y173 D204 C218 Y219	A125-I202 HydrophobicContact CB-CD1 3.88Å; L171-I202 HydrophobicContact CD2-CD1 4.13Å; L171-I202 HydrophobicContact CD2-CG1 4.39Å; L171-I202 HydrophobicContact CD2-CG2 4.19Å; Y173-I202 HydrophobicContact CE1-CG1 3.87Å; I202-D204 PolarHBondContact O-N 3.39Å; I202-C218 CarbonylContact O-C 3.44Å; I202-C218 WeakPolarHBondContact O-CA 3.43Å; I202-Y219 HydrophobicContact CD1-CD1 4.36Å; I202-Y219 PolarHBondContact N-O 3.08Å; I202-Y219 PolarHBondContact O-N 3.42Å
203	P	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.6	172.1	29.7	-27	0	0	0	109.1	I168 S170 L196 V216	I168-P203 HydrophobicContact CD1-CB 4.17Å; I168-P203 HydrophobicContact CG1-CB 4.49Å; I168-P203 HydrophobicContact CG2-CB 3.71Å; I168-P203 HydrophobicContact CG2-CG 3.73Å; S170-P203 WeakPolarHBondContact CA-O 3.29Å; S170-P203 WeakPolarHBondContact CB-O 3.42Å; S170-P203 VanDerWaalsContact O-CD 3.24Å; S170-P203 WeakPolarHBondContact O-CD 3.35Å; S170-P203 PolarHBondContact OG-O 2.86Å; L196-P203 HydrophobicContact CD1-CB 3.71Å; L196-P203 HydrophobicContact CD1-CG 3.75Å; L196-P203 HydrophobicContact CD2-CB 3.62Å; L196-P203 HydrophobicContact CD2-CG 3.9Å; L196-P203 HydrophobicContact CG-CB 4.3Å; L196-P203 HydrophobicContact CG-CG 4.44Å; P203-V216 HydrophobicContact CB-CG1 4.01Å
204	D	98.9	Very high	98.8	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-127.4	-174.3	-155	-19.5	0	0	0	108.4	N154 G155 I168 I202 A217 Y219 T246	N154-D204 VanDerWaalsContact CG-C 3.43Å; N154-D204 PolarHBondContact ND2-OD1 3.33Å; N154-D204 PolarHBondContact OD1-O 2.8Å; N154-D204 PolarHBondContact OD1-OD1 2.85Å; G155-D204 WeakPolarHBondContact CA-O 3.42Å; G155-D204 PolarHBondContact N-O 3.34Å; I168-D204 WeakPolarHBondContact CD1-O 3.37Å; I202-D204 PolarHBondContact O-N 3.39Å; D204-A217 HydrophobicContact CB-CB 4.47Å; D204-A217 PolarHBondContact N-O 3.08Å; D204-Y219 WeakPolarHBondContact OD2-CB 3.39Å; D204-Y219 WeakPolarHBondContact OD2-CD2 3.32Å; D204-T246 WeakPolarHBondContact CB-O 3.33Å; D204-T246 VanDerWaalsContact OD2-CA 3.32Å; D204-T246 WeakPolarHBondContact OD2-CA 3.18Å
205	G	98.8	Very high	98.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	155.1	175.7	0	0	0	0	0	114.6	N154 A217 T246	N154-G205 PolarHBondContact OD1-N 3.4Å; G205-A217 PolarHBondContact O-N 2.96Å; G205-T246 WeakPolarHBondContact CA-O 3.29Å; G205-T246 PolarHBondContact N-O 2.87Å
206	M	98.9	Very high	98.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.2	-175.5	176.5	168.6	58.9	0	0	112.3	K106 G155 I168 V175 L214 W215 V216	K106-M206 PolarHBondContact NZ-O 3.48Å; G155-M206 WeakPolarHBondContact O-CE 3.27Å; I168-M206 HydrophobicContact CD1-CB 3.85Å; I168-M206 HydrophobicContact CD1-CE 4.03Å; I168-M206 HydrophobicContact CD1-CG 4.5Å; I168-M206 HydrophobicContact CD1-SD 4Å; I168-M206 HydrophobicContact CG1-CE 4.13Å; V175-M206 HydrophobicContact CG1-CE 4.05Å; V175-M206 HydrophobicContact CG1-SD 3.8Å; M206-L214 HydrophobicContact CG-CB 4.36Å; M206-L214 HydrophobicContact CG-CD2 4.48Å; M206-L214 HydrophobicContact SD-CB 3.92Å; M206-L214 HydrophobicContact SD-CD1 3.79Å; M206-L214 HydrophobicContact SD-CD2 4.03Å; M206-L214 HydrophobicContact SD-CG 4.12Å; M206-W215 CarbonylContact C-O 3.54Å; M206-W215 WeakPolarHBondContact CA-O 3.34Å; M206-W215 WeakPolarHBondContact CG-O 3.35Å; M206-V216 HydrophobicContact CB-CG2 4.29Å; M206-V216 HydrophobicContact CG-CG2 3.97Å; M206-V216 HydrophobicContact SD-CG2 3.81Å
207	C	98.9	Very high	98.8	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.1	165.3	65.6	0	0	0	0	112.7	D157 W215 C248	D157-C207 VanDerWaalsContact OD2-CA 3.23Å; D157-C207 WeakPolarHBondContact OD2-CA 3.49Å; C207-W215 PolarHBondContact N-O 3.11Å; C207-W215 PolarHBondContact O-N 2.88Å; C207-C248 WeakPolarHBondContact CB-O 3.42Å; C207-C248 PolarHBondContact SG-O 3.42Å; C207-C248 VanDerWaalsContact SG-O 3.38Å
208	I	98.9	Very high	98.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	145	172	-157.9	167.1	0	0	0	111.5	D157 W158 L160 Y166 K213 L214 I292	D157-I208 HydrophobicContact CB-CB 4.35Å; D157-I208 PolarHBondContact OD2-N 2.91Å; W158-I208 VanDerWaalsContact O-CD1 3.22Å; W158-I208 WeakPolarHBondContact O-CD1 3.23Å; L160-I208 HydrophobicContact CD2-CD1 4.33Å; L160-I208 HydrophobicContact CD2-CG2 4.23Å; L160-I208 HydrophobicContact CG-CD1 4.35Å; Y166-I208 HydrophobicContact CE2-CD1 4.1Å; I208-K213 WeakPolarHBondContact CA-O 3.48Å; I208-L214 HydrophobicContact CB-CD2 4.16Å; I208-L214 HydrophobicContact CD1-CD2 4.25Å; I208-L214 HydrophobicContact CG1-CD2 4Å; I208-I292 HydrophobicContact CG2-CD1 3.65Å; I208-I292 HydrophobicContact CG2-CG1 4.14Å
209	D	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-95	168.2	168.5	70.7	32.4	0	0	0	113	E211 G212 K213 W215 R226 F250 V289 K290	D209-E211 PolarHBondContact O-N 2.92Å; D209-E211 VanDerWaalsContact O-N 3.07Å; D209-E211 WeakPolarHBondContact OD1-CA 3.18Å; D209-E211 WeakPolarHBondContact OD1-CB 3.47Å; D209-E211 PolarHBondContact OD1-N 3.21Å; D209-G212 PolarHBondContact O-N 2.94Å; D209-G212 PolarHBondContact OD1-N 3.19Å; D209-K213 PolarHBondContact N-O 2.89Å; D209-K213 PolarHBondContact OD1-N 2.67Å; D209-K213 WeakPolarHBondContact OD2-CB 3.38Å; D209-W215 PolarHBondContact OD2-NE1 3.46Å; D209-R226 IonicContact OD1-NH2 2.73Å; D209-R226 PolarHBondContact OD1-NH2 3.4Å; D209-R226 IonicContact OD2-CZ 3.02Å; D209-R226 IonicContact OD2-NE 3.56Å; D209-R226 PolarHBondContact OD2-NE 3.18Å; D209-R226 IonicContact OD2-NH2 2.78Å; D209-R226 PolarHBondContact OD2-NH2 3.32Å; D209-F250 HydrophobicContact CB-CE2 3.84Å; D209-F250 HydrophobicContact CB-CZ 4.05Å; D209-V289 HydrophobicContact CB-CG2 4.47Å; D209-K290 WeakPolarHBondContact CB-O 3.33Å
210	A	98.8	Very high	98.8	Very high	51 Å²	51	19.5 Å²	19.5	42%	0.421	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.8	-178.3	0	0	0	0	0	114	L160 K290 I292	L160-A210 WeakPolarHBondContact CD1-O 3.49Å; A210-K290 VanDerWaalsContact CB-O 3.29Å; A210-K290 WeakPolarHBondContact CB-O 3.19Å; A210-K290 PolarHBondContact N-O 3.22Å; A210-I292 HydrophobicContact CB-CG2 4.29Å
211	E	98.9	Very high	98.8	Very high	103 Å²	103	19.9 Å²	19.9	48%	0.481	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.1	171.7	-58.8	178.3	179.9	0	0	111.7	D209 K213 R226 V289	D209-E211 PolarHBondContact O-N 2.92Å; D209-E211 VanDerWaalsContact O-N 3.07Å; D209-E211 WeakPolarHBondContact OD1-CA 3.18Å; D209-E211 WeakPolarHBondContact OD1-CB 3.47Å; D209-E211 PolarHBondContact OD1-N 3.21Å; E211-K213 HydrophobicContact CB-CG 4.34Å; E211-K213 PolarHBondContact O-NZ 2.8Å; E211-R226 IonicContact OE2-CZ 3.59Å; E211-R226 IonicContact OE2-NH1 2.69Å; E211-R226 PolarHBondContact OE2-NH1 3.07Å; E211-R226 IonicContact OE2-NH2 3.46Å; E211-R226 PolarHBondContact OE2-NH2 3.19Å; E211-V289 WeakPolarHBondContact OE1-CG1 3.35Å
212	G	98.8	Very high	98.8	Very high	17 Å²	17	16.5 Å²	16.5	18%	0.175	10%	0.096	C	C	.	.	S	Bend	trans	74.1	25.2	-179	0	0	0	0	0	113.5	D209	D209-G212 PolarHBondContact O-N 2.94Å; D209-G212 PolarHBondContact OD1-N 3.19Å
213	K	98.9	Very high	98.9	Very high	43 Å²	43	17.4 Å²	17.4	19%	0.187	10%	0.098	C	C	.	.			trans	-101.1	148.8	174.3	-48.4	-60.6	174	-86.2	0	109.7	I208 D209 E211 R226 L227 D228 L235	I208-K213 WeakPolarHBondContact CA-O 3.48Å; D209-K213 PolarHBondContact N-O 2.89Å; D209-K213 PolarHBondContact OD1-N 2.67Å; D209-K213 WeakPolarHBondContact OD2-CB 3.38Å; E211-K213 HydrophobicContact CB-CG 4.34Å; E211-K213 PolarHBondContact O-NZ 2.8Å; K213-R226 HydrophobicContact CB-CG 4.08Å; K213-R226 VanDerWaalsContact CG-NH2 3.28Å; K213-L227 WeakPolarHBondContact CA-O 3.46Å; K213-L227 WeakPolarHBondContact CB-O 3.32Å; K213-D228 HydrophobicContact CD-CB 4.01Å; K213-D228 VanDerWaalsContact CE-OD2 3.24Å; K213-D228 WeakPolarHBondContact CE-OD2 3.22Å; K213-L235 HydrophobicContact CB-CD1 4.36Å; K213-L235 HydrophobicContact CD-CD1 3.75Å; K213-L235 HydrophobicContact CG-CD1 3.84Å
214	L	99	Very high	98.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.4	-175.9	-57	172.8	0	0	0	110	Y166 V175 M206 I208 R226 L227 P229	Y166-L214 HydrophobicContact CD1-CD1 3.73Å; Y166-L214 HydrophobicContact CD2-CD1 4.27Å; Y166-L214 HydrophobicContact CD2-CD2 3.62Å; Y166-L214 HydrophobicContact CE1-CD1 4.14Å; Y166-L214 HydrophobicContact CE2-CD2 3.97Å; Y166-L214 HydrophobicContact CG-CD1 3.8Å; Y166-L214 HydrophobicContact CG-CD2 3.95Å; Y166-L214 HydrophobicContact CG-CG 4.5Å; V175-L214 HydrophobicContact CG1-CD1 3.95Å; M206-L214 HydrophobicContact CG-CB 4.36Å; M206-L214 HydrophobicContact CG-CD2 4.48Å; M206-L214 HydrophobicContact SD-CB 3.92Å; M206-L214 HydrophobicContact SD-CD1 3.79Å; M206-L214 HydrophobicContact SD-CD2 4.03Å; M206-L214 HydrophobicContact SD-CG 4.12Å; I208-L214 HydrophobicContact CB-CD2 4.16Å; I208-L214 HydrophobicContact CD1-CD2 4.25Å; I208-L214 HydrophobicContact CG1-CD2 4Å; L214-R226 CarbonylContact O-C 3.58Å; L214-R226 VanDerWaalsContact O-CA 3.26Å; L214-R226 WeakPolarHBondContact O-CA 3.48Å; L214-L227 HydrophobicContact CB-CB 4.32Å; L214-L227 PolarHBondContact N-O 3.02Å; L214-L227 PolarHBondContact O-N 2.98Å; L214-P229 HydrophobicContact CD1-CB 3.88Å; L214-P229 HydrophobicContact CD1-CG 4.2Å; L214-P229 HydrophobicContact CG-CB 4.43Å; L214-P229 HydrophobicContact CG-CG 4.21Å
215	W	99	Very high	98.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	169.3	-69.4	83.6	0	0	0	108.5	M206 C207 D209 V224 I225 R226 V238 F250 M258 L287 V289	M206-W215 CarbonylContact C-O 3.54Å; M206-W215 WeakPolarHBondContact CA-O 3.34Å; M206-W215 WeakPolarHBondContact CG-O 3.35Å; C207-W215 PolarHBondContact N-O 3.11Å; C207-W215 PolarHBondContact O-N 2.88Å; D209-W215 PolarHBondContact OD2-NE1 3.46Å; W215-V224 HydrophobicContact CE3-CB 4.39Å; W215-V224 HydrophobicContact CE3-CG2 3.99Å; W215-V224 HydrophobicContact CZ3-CG2 4.13Å; W215-I225 CarbonylContact C-O 3.54Å; W215-I225 VanDerWaalsContact CA-O 3.3Å; W215-I225 WeakPolarHBondContact CA-O 3.4Å; W215-R226 HydrophobicContact CD2-CB 4.02Å; W215-R226 HydrophobicContact CD2-CG 4.04Å; W215-R226 HydrophobicContact CE3-CB 4.02Å; W215-R226 HydrophobicContact CH2-CB 3.92Å; W215-R226 HydrophobicContact CH2-CG 4.22Å; W215-R226 HydrophobicContact CZ2-CB 3.94Å; W215-R226 HydrophobicContact CZ2-CG 3.72Å; W215-R226 HydrophobicContact CZ3-CB 3.97Å; W215-V238 HydrophobicContact CZ3-CG2 4.14Å; W215-F250 AromaticContact CD1-CE2 3.67Å; W215-F250 AromaticContact CD1-CZ 3.94Å; W215-F250 HydrophobicContact CG-CE2 4.28Å; W215-F250 AromaticContact NE1-CE2 3.88Å; W215-F250 AromaticContact NE1-CZ 3.68Å; W215-M258 HydrophobicContact CB-CE 3.64Å; W215-M258 HydrophobicContact CD2-CE 3.45Å; W215-M258 VanDerWaalsContact CD2-CE 3.45Å; W215-M258 HydrophobicContact CD2-SD 4.43Å; W215-M258 HydrophobicContact CE3-CE 3.76Å; W215-M258 HydrophobicContact CE3-SD 4.14Å; W215-M258 HydrophobicContact CG-CE 3.39Å; W215-L287 HydrophobicContact CH2-CD1 4.01Å; W215-L287 HydrophobicContact CH2-CD2 3.74Å; W215-L287 HydrophobicContact CH2-CG 4.31Å; W215-L287 HydrophobicContact CZ2-CD1 4.15Å; W215-L287 HydrophobicContact CZ3-CD1 4.36Å; W215-L287 HydrophobicContact CZ3-CD2 4.15Å; W215-V289 HydrophobicContact CZ2-CG2 3.82Å
216	V	99	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.7	-175.9	178.8	0	0	0	0	109.2	I168 V175 P203 M206 V224 I225 L227	I168-V216 HydrophobicContact CD1-CG1 3.85Å; I168-V216 HydrophobicContact CD1-CG2 4.17Å; V175-V216 HydrophobicContact CG2-CG2 4.04Å; P203-V216 HydrophobicContact CB-CG1 4.01Å; M206-V216 HydrophobicContact CB-CG2 4.29Å; M206-V216 HydrophobicContact CG-CG2 3.97Å; M206-V216 HydrophobicContact SD-CG2 3.81Å; V216-V224 CarbonylContact O-C 3.58Å; V216-V224 VanDerWaalsContact O-CA 3.28Å; V216-V224 WeakPolarHBondContact O-CA 3.47Å; V216-I225 HydrophobicContact CB-CG1 3.95Å; V216-I225 PolarHBondContact N-O 2.94Å; V216-I225 PolarHBondContact O-N 3.16Å; V216-L227 HydrophobicContact CB-CD1 4.5Å; V216-L227 HydrophobicContact CG2-CD1 3.71Å; V216-L227 HydrophobicContact CG2-CG 4.47Å
217	A	99	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140	167.8	0	0	0	0	0	110.2	D204 G205 V224 T246	D204-A217 HydrophobicContact CB-CB 4.47Å; D204-A217 PolarHBondContact N-O 3.08Å; G205-A217 PolarHBondContact O-N 2.96Å; A217-V224 HydrophobicContact CB-CG1 4.42Å; A217-T246 VanDerWaalsContact CB-C 3.47Å; A217-T246 WeakPolarHBondContact CB-O 3.19Å
218	C	98.9	Very high	98.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	92.2	-171.5	-70.5	0	0	0	0	109.6	E200 I202 N220 G221 G222 R223 T245	E200-C218 WeakPolarHBondContact O-CB 3.28Å; I202-C218 CarbonylContact O-C 3.44Å; I202-C218 WeakPolarHBondContact O-CA 3.43Å; C218-N220 PolarHBondContact O-N 2.82Å; C218-G221 VanDerWaalsContact O-CA 3.32Å; C218-G221 WeakPolarHBondContact O-CA 3.33Å; C218-G221 PolarHBondContact O-N 3.36Å; C218-G222 PolarHBondContact O-N 2.61Å; C218-R223 HydrophobicContact CB-CG 3.47Å; C218-R223 VanDerWaalsContact CB-CG 3.47Å; C218-R223 WeakPolarHBondContact CB-O 3.25Å; C218-R223 PolarHBondContact N-O 3.01Å; C218-T245 CarbonylContact C-O 3.58Å; C218-T245 PolarHBondContact O-OG1 3.17Å
219	Y	98.8	Very high	98.9	Very high	24 Å²	24	19.4 Å²	19.4	9%	0.094	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130.7	-178.1	-174.6	-86.1	0	0	0	111.6	P124 Q201 I202 D204 G221 K244 T245 T246 A263	P124-Y219 HydrophobicContact CB-CE1 4.29Å; Q201-Y219 WeakPolarHBondContact CB-O 3.42Å; I202-Y219 HydrophobicContact CD1-CD1 4.36Å; I202-Y219 PolarHBondContact N-O 3.08Å; I202-Y219 PolarHBondContact O-N 3.42Å; D204-Y219 WeakPolarHBondContact OD2-CB 3.39Å; D204-Y219 WeakPolarHBondContact OD2-CD2 3.32Å; Y219-G221 PolarHBondContact O-N 2.73Å; Y219-K244 HydrophobicContact CD2-CB 4.2Å; Y219-K244 HydrophobicContact CE1-CG 4.42Å; Y219-K244 HydrophobicContact CE2-CB 3.81Å; Y219-K244 HydrophobicContact CE2-CD 4.28Å; Y219-K244 HydrophobicContact CE2-CG 4.04Å; Y219-K244 PolarHBondContact OH-NZ 2.87Å; Y219-T245 VanDerWaalsContact CA-O 3.28Å; Y219-T245 WeakPolarHBondContact CA-O 3.32Å; Y219-T245 PolarHBondContact N-O 2.95Å; Y219-T246 HydrophobicContact CD2-CG2 3.9Å; Y219-T246 HydrophobicContact CE2-CG2 4.16Å; Y219-A263 HydrophobicContact CE2-CB 4.13Å
220	N	98.5	Very high	98.8	Very high	59 Å²	59	25.6 Å²	25.6	32%	0.316	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-3.6	-164.9	-58.7	-40.8	0	0	0	115.1	Q201 C218 D243 K244	Q201-N220 HydrophobicContact CB-CB 4.18Å; Q201-N220 HydrophobicContact CG-CB 4.15Å; C218-N220 PolarHBondContact O-N 2.82Å; N220-D243 CarbonylContact C-O 3.49Å; N220-D243 WeakPolarHBondContact CA-O 3.11Å; N220-D243 PolarHBondContact N-O 3.45Å; N220-K244 PolarHBondContact OD1-NZ 2.65Å
221	G	98.6	Very high	98.8	Very high	8 Å²	8	27.1 Å²	27.1	8%	0.082	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.5	-179.3	0	0	0	0	0	114.3	C218 Y219 R223 D243	C218-G221 VanDerWaalsContact O-CA 3.32Å; C218-G221 WeakPolarHBondContact O-CA 3.33Å; C218-G221 PolarHBondContact O-N 3.36Å; Y219-G221 PolarHBondContact O-N 2.73Å; G221-R223 VanDerWaalsContact C-N 3.34Å; G221-R223 PolarHBondContact O-N 3.42Å; G221-R223 PolarHBondContact O-NE 3.35Å; G221-R223 PolarHBondContact O-NH2 2.57Å; G221-D243 PolarHBondContact N-O 2.82Å
222	G	98.8	Very high	98.8	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	43.4	179.6	0	0	0	0	0	114	C218 K239 L240 V242 D243	C218-G222 PolarHBondContact O-N 2.61Å; G222-K239 CarbonylContact O-C 3.54Å; G222-K239 WeakPolarHBondContact O-CA 3.31Å; G222-L240 PolarHBondContact O-N 3.19Å; G222-V242 WeakPolarHBondContact CA-O 3.35Å; G222-D243 WeakPolarHBondContact CA-O 3.44Å; G222-D243 PolarHBondContact N-O 3.04Å
223	R	98.9	Very high	98.8	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.125	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	161.6	-173.2	68.1	-169.4	68.1	172.6	10.4	112.6	E199 C218 G221 I225 T237 V238 T245	E199-R223 PolarHBondContact O-NH1 2.86Å; E199-R223 PolarHBondContact O-NH2 3.03Å; C218-R223 HydrophobicContact CB-CG 3.47Å; C218-R223 VanDerWaalsContact CB-CG 3.47Å; C218-R223 WeakPolarHBondContact CB-O 3.25Å; C218-R223 PolarHBondContact N-O 3.01Å; G221-R223 VanDerWaalsContact C-N 3.34Å; G221-R223 PolarHBondContact O-N 3.42Å; G221-R223 PolarHBondContact O-NE 3.35Å; G221-R223 PolarHBondContact O-NH2 2.57Å; R223-I225 HydrophobicContact CG-CG2 4.11Å; R223-T237 HydrophobicContact CB-CG2 4.04Å; R223-T237 HydrophobicContact CG-CG2 4.38Å; R223-V238 CarbonylContact C-O 3.54Å; R223-V238 WeakPolarHBondContact CA-O 3.24Å; R223-V238 WeakPolarHBondContact CB-O 3.47Å; R223-T245 PolarHBondContact N-OG1 2.91Å; R223-T245 PolarHBondContact O-OG1 3.32Å; R223-T245 VanDerWaalsContact O-OG1 3.11Å
224	V	99	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.9	153.7	-64	0	0	0	0	108.9	W215 V216 A217 V238 L240 C248 M258 V260 I284	W215-V224 HydrophobicContact CE3-CB 4.39Å; W215-V224 HydrophobicContact CE3-CG2 3.99Å; W215-V224 HydrophobicContact CZ3-CG2 4.13Å; V216-V224 CarbonylContact O-C 3.58Å; V216-V224 VanDerWaalsContact O-CA 3.28Å; V216-V224 WeakPolarHBondContact O-CA 3.47Å; A217-V224 HydrophobicContact CB-CG1 4.42Å; V224-V238 HydrophobicContact CG2-CB 3.91Å; V224-V238 PolarHBondContact N-O 2.9Å; V224-V238 PolarHBondContact O-N 2.9Å; V224-L240 HydrophobicContact CG1-CD1 4.4Å; V224-L240 HydrophobicContact CG2-CD1 4.36Å; V224-C248 HydrophobicContact CG1-CB 4.22Å; V224-M258 HydrophobicContact CG2-SD 4.08Å; V224-V260 HydrophobicContact CG1-CG1 4.16Å; V224-V260 HydrophobicContact CG1-CG2 4.05Å; V224-I284 HydrophobicContact CG2-CD1 3.98Å
225	I	98.9	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.8	176.2	62.1	-178.7	0	0	0	110.2	Y194 E200 W215 V216 R223 L227 R234 Q236 T237	Y194-I225 HydrophobicContact CE1-CD1 3.82Å; E200-I225 HydrophobicContact CG-CD1 4.4Å; E200-I225 WeakPolarHBondContact OE1-CD1 3.41Å; W215-I225 CarbonylContact C-O 3.54Å; W215-I225 VanDerWaalsContact CA-O 3.3Å; W215-I225 WeakPolarHBondContact CA-O 3.4Å; V216-I225 HydrophobicContact CB-CG1 3.95Å; V216-I225 PolarHBondContact N-O 2.94Å; V216-I225 PolarHBondContact O-N 3.16Å; R223-I225 HydrophobicContact CG-CG2 4.11Å; I225-L227 HydrophobicContact CB-CD2 4.43Å; I225-L227 HydrophobicContact CD1-CD1 4.43Å; I225-L227 HydrophobicContact CD1-CD2 3.83Å; I225-L227 HydrophobicContact CD1-CG 4.4Å; I225-L227 HydrophobicContact CG1-CD2 3.97Å; I225-L227 HydrophobicContact CG1-CG 4.24Å; I225-R234 HydrophobicContact CB-CG 4.4Å; I225-Q236 CarbonylContact C-O 3.52Å; I225-Q236 WeakPolarHBondContact CA-O 3.19Å; I225-T237 HydrophobicContact CG2-CG2 4.25Å
226	R	98.9	Very high	98.8	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.087	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.7	174.8	-166.8	-173.7	-169.5	-144.1	-9.3	109.3	D209 E211 K213 L214 W215 R234 L235 Q236	D209-R226 IonicContact OD1-NH2 2.73Å; D209-R226 PolarHBondContact OD1-NH2 3.4Å; D209-R226 IonicContact OD2-CZ 3.02Å; D209-R226 IonicContact OD2-NE 3.56Å; D209-R226 PolarHBondContact OD2-NE 3.18Å; D209-R226 IonicContact OD2-NH2 2.78Å; D209-R226 PolarHBondContact OD2-NH2 3.32Å; E211-R226 IonicContact OE2-CZ 3.59Å; E211-R226 IonicContact OE2-NH1 2.69Å; E211-R226 PolarHBondContact OE2-NH1 3.07Å; E211-R226 IonicContact OE2-NH2 3.46Å; E211-R226 PolarHBondContact OE2-NH2 3.19Å; K213-R226 HydrophobicContact CB-CG 4.08Å; K213-R226 VanDerWaalsContact CG-NH2 3.28Å; L214-R226 CarbonylContact O-C 3.58Å; L214-R226 VanDerWaalsContact O-CA 3.26Å; L214-R226 WeakPolarHBondContact O-CA 3.48Å; W215-R226 HydrophobicContact CD2-CB 4.02Å; W215-R226 HydrophobicContact CD2-CG 4.04Å; W215-R226 HydrophobicContact CE3-CB 4.02Å; W215-R226 HydrophobicContact CH2-CB 3.92Å; W215-R226 HydrophobicContact CH2-CG 4.22Å; W215-R226 HydrophobicContact CZ2-CB 3.94Å; W215-R226 HydrophobicContact CZ2-CG 3.72Å; W215-R226 HydrophobicContact CZ3-CB 3.97Å; R226-R234 CarbonylContact O-C 3.35Å; R226-L235 HydrophobicContact CB-CB 4.38Å; R226-L235 HydrophobicContact CG-CB 4.4Å; R226-L235 HydrophobicContact CG-CD1 4.46Å; R226-L235 PolarHBondContact O-N 3.26Å; R226-Q236 HydrophobicContact CB-CB 3.83Å; R226-Q236 PolarHBondContact N-O 3.49Å; R226-Q236 PolarHBondContact O-N 3.42Å
227	L	98.9	Very high	98.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.1	-173.7	-51.1	177.7	0	0	0	110.6	V175 Y194 K213 L214 V216 I225 P229 R234	V175-L227 HydrophobicContact CG2-CD1 3.81Å; Y194-L227 HydrophobicContact CD1-CD1 3.55Å; Y194-L227 HydrophobicContact CD1-CD2 3.88Å; Y194-L227 HydrophobicContact CD1-CG 4.36Å; Y194-L227 HydrophobicContact CD2-CD1 4.42Å; Y194-L227 HydrophobicContact CD2-CD2 3.86Å; Y194-L227 HydrophobicContact CE1-CD1 4.13Å; Y194-L227 HydrophobicContact CE1-CD2 3.71Å; Y194-L227 HydrophobicContact CE2-CD2 3.7Å; Y194-L227 HydrophobicContact CG-CD1 3.72Å; Y194-L227 HydrophobicContact CG-CD2 3.94Å; Y194-L227 HydrophobicContact CG-CG 4.38Å; K213-L227 WeakPolarHBondContact CA-O 3.46Å; K213-L227 WeakPolarHBondContact CB-O 3.32Å; L214-L227 HydrophobicContact CB-CB 4.32Å; L214-L227 PolarHBondContact N-O 3.02Å; L214-L227 PolarHBondContact O-N 2.98Å; V216-L227 HydrophobicContact CB-CD1 4.5Å; V216-L227 HydrophobicContact CG2-CD1 3.71Å; V216-L227 HydrophobicContact CG2-CG 4.47Å; I225-L227 HydrophobicContact CB-CD2 4.43Å; I225-L227 HydrophobicContact CD1-CD1 4.43Å; I225-L227 HydrophobicContact CD1-CD2 3.83Å; I225-L227 HydrophobicContact CD1-CG 4.4Å; I225-L227 HydrophobicContact CG1-CD2 3.97Å; I225-L227 HydrophobicContact CG1-CG 4.24Å; L227-P229 WeakPolarHBondContact O-CD 3.1Å; L227-R234 HydrophobicContact CD2-CB 3.95Å; L227-R234 HydrophobicContact CD2-CG 4.19Å
228	D	98.9	Very high	98.7	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.4	165.4	-172.9	-50.6	0	0	0	109.2	K213 V230 T231 G232 K233 L235	K213-D228 HydrophobicContact CD-CB 4.01Å; K213-D228 VanDerWaalsContact CE-OD2 3.24Å; K213-D228 WeakPolarHBondContact CE-OD2 3.22Å; D228-V230 PolarHBondContact O-N 2.92Å; D228-V230 WeakPolarHBondContact OD1-CA 3.47Å; D228-V230 WeakPolarHBondContact OD1-CB 3.25Å; D228-V230 PolarHBondContact OD1-N 3.39Å; D228-T231 WeakPolarHBondContact CB-OG1 3.37Å; D228-T231 PolarHBondContact O-N 3.11Å; D228-T231 PolarHBondContact OD1-N 3.12Å; D228-T231 PolarHBondContact OD1-OG1 3.48Å; D228-G232 WeakPolarHBondContact O-CA 3.36Å; D228-G232 PolarHBondContact O-N 2.79Å; D228-K233 PolarHBondContact N-O 3.2Å; D228-K233 PolarHBondContact O-N 3.24Å; D228-L235 HydrophobicContact CB-CD1 4.03Å; D228-L235 HydrophobicContact CB-CD2 4.11Å; D228-L235 HydrophobicContact CB-CG 4.04Å
229	P	98.7	Very high	98.7	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.091	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14	-176.2	29.2	-35.2	0	0	0	113.8	Y166 V193 L214 L227	Y166-P229 HydrophobicContact CD1-CB 4.34Å; Y166-P229 HydrophobicContact CE1-CB 3.54Å; Y166-P229 HydrophobicContact CE1-CG 4Å; V193-P229 HydrophobicContact CB-CB 4.47Å; V193-P229 HydrophobicContact CG2-CB 4.31Å; L214-P229 HydrophobicContact CD1-CB 3.88Å; L214-P229 HydrophobicContact CD1-CG 4.2Å; L214-P229 HydrophobicContact CG-CB 4.43Å; L214-P229 HydrophobicContact CG-CG 4.21Å; L227-P229 WeakPolarHBondContact O-CD 3.1Å
230	V	98.5	Very high	98.7	Very high	131 Å²	131	47.4 Å²	47.4	79%	0.794	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-40.5	178.2	179.8	0	0	0	0	110.2	D228	D228-V230 PolarHBondContact O-N 2.92Å; D228-V230 WeakPolarHBondContact OD1-CA 3.47Å; D228-V230 WeakPolarHBondContact OD1-CB 3.25Å; D228-V230 PolarHBondContact OD1-N 3.39Å
231	T	98.5	Very high	98.7	Very high	83 Å²	83	48 Å²	48	51%	0.509	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-15.9	-179.9	70.1	0	0	0	0	113.9	D228 K233	D228-T231 WeakPolarHBondContact CB-OG1 3.37Å; D228-T231 PolarHBondContact O-N 3.11Å; D228-T231 PolarHBondContact OD1-N 3.12Å; D228-T231 PolarHBondContact OD1-OG1 3.48Å; T231-K233 VanDerWaalsContact C-N 3.33Å
232	G	98.2	Very high	98.8	Very high	33 Å²	33	47.7 Å²	47.7	34%	0.34	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	24.2	-177.2	0	0	0	0	0	114.4	V193 D228	V193-G232 WeakPolarHBondContact O-CA 3.47Å; D228-G232 WeakPolarHBondContact O-CA 3.36Å; D228-G232 PolarHBondContact O-N 2.79Å
233	K	98.7	Very high	98.7	Very high	144 Å²	144	51 Å²	51	63%	0.626	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.8	-176.3	-64.9	-174.3	179.7	-178	0	112.1	D228 T231	D228-K233 PolarHBondContact N-O 3.2Å; D228-K233 PolarHBondContact O-N 3.24Å; T231-K233 VanDerWaalsContact C-N 3.33Å
234	R	98.8	Very high	98.7	Very high	81 Å²	81	50.2 Å²	50.2	31%	0.306	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.9	163.5	-177.3	-179.8	67.7	-152.5	-11.4	110.2	Y194 E197 E200 I225 R226 L227 T237	Y194-R234 HydrophobicContact CE2-CB 4.12Å; E197-R234 IonicContact OE1-CZ 3.37Å; E197-R234 IonicContact OE1-NH1 3.75Å; E197-R234 IonicContact OE1-NH2 3.94Å; E197-R234 PolarHBondContact OE1-NH2 3.33Å; E197-R234 IonicContact OE2-CZ 2.84Å; E197-R234 IonicContact OE2-NH1 3.44Å; E197-R234 PolarHBondContact OE2-NH1 3Å; E197-R234 IonicContact OE2-NH2 3.19Å; E197-R234 PolarHBondContact OE2-NH2 2.95Å; E200-R234 WeakPolarHBondContact OE1-CD 3.34Å; E200-R234 IonicContact OE1-CZ 3.88Å; E200-R234 IonicContact OE1-NE 3.84Å; E200-R234 IonicContact OE1-NH1 3.82Å; E200-R234 PolarHBondContact OE1-NH1 3.45Å; I225-R234 HydrophobicContact CB-CG 4.4Å; R226-R234 CarbonylContact O-C 3.35Å; L227-R234 HydrophobicContact CD2-CB 3.95Å; L227-R234 HydrophobicContact CD2-CG 4.19Å; R234-T237 WeakPolarHBondContact CD-OG1 3.5Å
235	L	98.8	Very high	98.7	Very high	83 Å²	83	50.2 Å²	50.2	44%	0.435	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-34.8	177.6	-61.3	-178.6	0	0	0	112.6	K213 R226 D228	K213-L235 HydrophobicContact CB-CD1 4.36Å; K213-L235 HydrophobicContact CD-CD1 3.75Å; K213-L235 HydrophobicContact CG-CD1 3.84Å; R226-L235 HydrophobicContact CB-CB 4.38Å; R226-L235 HydrophobicContact CG-CB 4.4Å; R226-L235 HydrophobicContact CG-CD1 4.46Å; R226-L235 PolarHBondContact O-N 3.26Å; D228-L235 HydrophobicContact CB-CD1 4.03Å; D228-L235 HydrophobicContact CB-CD2 4.11Å; D228-L235 HydrophobicContact CB-CG 4.04Å
236	Q	98.6	Very high	98.7	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.248	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	152.7	-172.4	-167.9	174.2	-10.2	0	0	111.5	I225 R226 V238	I225-Q236 CarbonylContact C-O 3.52Å; I225-Q236 WeakPolarHBondContact CA-O 3.19Å; R226-Q236 HydrophobicContact CB-CB 3.83Å; R226-Q236 PolarHBondContact N-O 3.49Å; R226-Q236 PolarHBondContact O-N 3.42Å; Q236-V238 HydrophobicContact CG-CG2 4.36Å
237	T	98.9	Very high	98.7	Very high	50 Å²	50	49.4 Å²	49.4	31%	0.307	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.6	168.6	-60.7	0	0	0	0	109	R223 I225 R234 K239	R223-T237 HydrophobicContact CB-CG2 4.04Å; R223-T237 HydrophobicContact CG-CG2 4.38Å; I225-T237 HydrophobicContact CG2-CG2 4.25Å; R234-T237 WeakPolarHBondContact CD-OG1 3.5Å; T237-K239 HydrophobicContact CG2-CG 4.43Å
238	V	98.8	Very high	98.7	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.4	172.1	-176.2	0	0	0	0	108	I4 I6 W215 R223 V224 Q236 L240 I284 L287	I4-V238 HydrophobicContact CD1-CG2 4.16Å; I4-V238 HydrophobicContact CG2-CG1 4.18Å; I6-V238 HydrophobicContact CD1-CG1 3.69Å; I6-V238 HydrophobicContact CG1-CG1 4.38Å; W215-V238 HydrophobicContact CZ3-CG2 4.14Å; R223-V238 CarbonylContact C-O 3.54Å; R223-V238 WeakPolarHBondContact CA-O 3.24Å; R223-V238 WeakPolarHBondContact CB-O 3.47Å; V224-V238 HydrophobicContact CG2-CB 3.91Å; V224-V238 PolarHBondContact N-O 2.9Å; V224-V238 PolarHBondContact O-N 2.9Å; Q236-V238 HydrophobicContact CG-CG2 4.36Å; V238-L240 WeakPolarHBondContact O-CD1 3.28Å; V238-I284 HydrophobicContact CG1-CD1 4.02Å; V238-I284 HydrophobicContact CG1-CG2 4.25Å; V238-L287 HydrophobicContact CG2-CD2 3.9Å
239	K	98.8	Very high	98.7	Very high	149 Å²	149	48.9 Å²	48.9	65%	0.648	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.6	-179.7	-66.2	-174	178.6	-176.2	0	110.7	I6 G222 T237	I6-K239 WeakPolarHBondContact CD1-O 3.34Å; G222-K239 CarbonylContact O-C 3.54Å; G222-K239 WeakPolarHBondContact O-CA 3.31Å; T237-K239 HydrophobicContact CG2-CG 4.43Å
240	L	98.8	Very high	98.7	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	26%	0.26	C	S	.	.			trans	-109.6	156.8	175.9	-73.7	88.3	0	0	0	110.1	I6 G222 V224 V238 V242 T245 V260 F282 I284	I6-L240 HydrophobicContact CG2-CG 4.48Å; G222-L240 PolarHBondContact O-N 3.19Å; V224-L240 HydrophobicContact CG1-CD1 4.4Å; V224-L240 HydrophobicContact CG2-CD1 4.36Å; V238-L240 WeakPolarHBondContact O-CD1 3.28Å; L240-V242 HydrophobicContact CB-CG2 4.22Å; L240-V242 PolarHBondContact O-N 3.45Å; L240-V242 VanDerWaalsContact O-N 3.08Å; L240-T245 HydrophobicContact CB-CG2 4.01Å; L240-T245 HydrophobicContact CD1-CG2 4.14Å; L240-T245 HydrophobicContact CD2-CG2 4.01Å; L240-T245 HydrophobicContact CG-CG2 4.27Å; L240-V260 HydrophobicContact CD2-CB 3.83Å; L240-V260 HydrophobicContact CD2-CG1 3.62Å; L240-V260 HydrophobicContact CD2-CG2 4.19Å; L240-F282 HydrophobicContact CD2-CB 3.83Å; L240-F282 HydrophobicContact CD2-CD2 4.3Å; L240-F282 HydrophobicContact CD2-CG 3.99Å; L240-I284 HydrophobicContact CD1-CD1 4.17Å
241	P	98.5	Very high	98.8	Very high	71 Å²	71	42.4 Å²	42.4	46%	0.461	22%	0.222	S	C	.	.	S	Bend	trans	-79	20.5	180	35.3	-37.6	0	0	0	113.5	F282	P241-F282 HydrophobicContact CG-CD1 4.3Å; P241-F282 HydrophobicContact CG-CE1 3.48Å; P241-F282 VanDerWaalsContact CG-CE1 3.48Å; P241-F282 HydrophobicContact CG-CZ 3.98Å
242	V	98.8	Very high	98.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.2	C	C	.	.			trans	-139.8	134.9	179.6	-68.6	0	0	0	0	108.6	G222 L240 T245 C262 A278 F282	G222-V242 WeakPolarHBondContact CA-O 3.35Å; L240-V242 HydrophobicContact CB-CG2 4.22Å; L240-V242 PolarHBondContact O-N 3.45Å; L240-V242 VanDerWaalsContact O-N 3.08Å; V242-T245 HydrophobicContact CG2-CG2 4.11Å; V242-C262 HydrophobicContact CB-CB 4.49Å; V242-C262 HydrophobicContact CG2-CB 3.82Å; V242-A278 HydrophobicContact CG1-CB 4.36Å; V242-F282 HydrophobicContact CB-CE2 4.3Å; V242-F282 HydrophobicContact CB-CZ 4.46Å; V242-F282 HydrophobicContact CG1-CE2 3.75Å; V242-F282 HydrophobicContact CG1-CZ 3.61Å; V242-F282 HydrophobicContact CG2-CD2 4.08Å; V242-F282 HydrophobicContact CG2-CE2 3.5Å; V242-F282 HydrophobicContact CG2-CZ 3.96Å
243	D	98.6	Very high	98.7	Very high	75 Å²	75	44.9 Å²	44.9	40%	0.401	22%	0.217	S	C	.	.	S	Bend	trans	-78.3	-37.1	-173	-68.7	-26.6	0	0	0	112.3	N220 G221 G222 T245 Q275	N220-D243 CarbonylContact C-O 3.49Å; N220-D243 WeakPolarHBondContact CA-O 3.11Å; N220-D243 PolarHBondContact N-O 3.45Å; G221-D243 PolarHBondContact N-O 2.82Å; G222-D243 WeakPolarHBondContact CA-O 3.44Å; G222-D243 PolarHBondContact N-O 3.04Å; D243-T245 VanDerWaalsContact C-N 3.29Å; D243-T245 PolarHBondContact O-N 3.11Å; D243-T245 VanDerWaalsContact O-N 3.12Å; D243-Q275 PolarHBondContact OD2-NE2 3.18Å
244	K	98.7	Very high	98.6	Very high	17 Å²	17	42.2 Å²	42.2	7%	0.074	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-89.7	53.7	-172.8	-64.9	179.3	176.3	-64.6	0	112.2	Y219 N220 T246 C262 A263 D265 M267	Y219-K244 HydrophobicContact CD2-CB 4.2Å; Y219-K244 HydrophobicContact CE1-CG 4.42Å; Y219-K244 HydrophobicContact CE2-CB 3.81Å; Y219-K244 HydrophobicContact CE2-CD 4.28Å; Y219-K244 HydrophobicContact CE2-CG 4.04Å; Y219-K244 PolarHBondContact OH-NZ 2.87Å; N220-K244 PolarHBondContact OD1-NZ 2.65Å; K244-T246 PolarHBondContact O-N 3.41Å; K244-C262 CarbonylContact O-C 3.32Å; K244-C262 WeakPolarHBondContact O-CA 3.38Å; K244-C262 WeakPolarHBondContact O-CB 3.16Å; K244-A263 HydrophobicContact CB-CB 4Å; K244-A263 WeakPolarHBondContact CB-O 3.32Å; K244-A263 HydrophobicContact CD-CB 4.34Å; K244-A263 PolarHBondContact O-N 2.97Å; K244-D265 WeakPolarHBondContact CD-O 3.36Å; K244-D265 WeakPolarHBondContact CE-O 3.34Å; K244-M267 HydrophobicContact CD-CG 3.92Å; K244-M267 HydrophobicContact CD-SD 4.43Å
245	T	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.4	172.3	46.3	0	0	0	0	110.1	C218 Y219 R223 L240 V242 D243 V260	C218-T245 CarbonylContact C-O 3.58Å; C218-T245 PolarHBondContact O-OG1 3.17Å; Y219-T245 VanDerWaalsContact CA-O 3.28Å; Y219-T245 WeakPolarHBondContact CA-O 3.32Å; Y219-T245 PolarHBondContact N-O 2.95Å; R223-T245 PolarHBondContact N-OG1 2.91Å; R223-T245 PolarHBondContact O-OG1 3.32Å; R223-T245 VanDerWaalsContact O-OG1 3.11Å; L240-T245 HydrophobicContact CB-CG2 4.01Å; L240-T245 HydrophobicContact CD1-CG2 4.14Å; L240-T245 HydrophobicContact CD2-CG2 4.01Å; L240-T245 HydrophobicContact CG-CG2 4.27Å; V242-T245 HydrophobicContact CG2-CG2 4.11Å; D243-T245 VanDerWaalsContact C-N 3.29Å; D243-T245 PolarHBondContact O-N 3.11Å; D243-T245 VanDerWaalsContact O-N 3.12Å; T245-V260 HydrophobicContact CG2-CG1 4.12Å
246	T	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-45.5	-168.7	46.3	0	0	0	0	113	G17 E18 D204 G205 A217 Y219 K244 T261 C262 A263	G17-T246 WeakPolarHBondContact O-CB 3.41Å; G17-T246 PolarHBondContact O-OG1 3.27Å; E18-T246 WeakPolarHBondContact OE1-CB 3.44Å; D204-T246 WeakPolarHBondContact CB-O 3.33Å; D204-T246 VanDerWaalsContact OD2-CA 3.32Å; D204-T246 WeakPolarHBondContact OD2-CA 3.18Å; G205-T246 WeakPolarHBondContact CA-O 3.29Å; G205-T246 PolarHBondContact N-O 2.87Å; A217-T246 VanDerWaalsContact CB-C 3.47Å; A217-T246 WeakPolarHBondContact CB-O 3.19Å; Y219-T246 HydrophobicContact CD2-CG2 3.9Å; Y219-T246 HydrophobicContact CE2-CG2 4.16Å; K244-T246 PolarHBondContact O-N 3.41Å; T246-T261 PolarHBondContact N-O 3.37Å; T246-T261 WeakPolarHBondContact OG1-CB 3.3Å; T246-T261 PolarHBondContact OG1-O 2.76Å; T246-T261 PolarHBondContact OG1-OG1 3.3Å; T246-C262 WeakPolarHBondContact OG1-CA 3.37Å; T246-C262 PolarHBondContact OG1-N 2.86Å; T246-A263 HydrophobicContact CG2-CB 3.97Å
247	S	98.9	Very high	98.6	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	170	-178.7	-170.9	0	0	0	0	111.4	E18 P20 V260 T261	E18-S247 WeakPolarHBondContact OE2-CB 3.3Å; P20-S247 WeakPolarHBondContact CD-OG 3.21Å; S247-V260 WeakPolarHBondContact O-CA 3.4Å; S247-V260 WeakPolarHBondContact O-CG1 3.46Å; S247-T261 WeakPolarHBondContact CB-OG1 3.07Å; S247-T261 PolarHBondContact N-OG1 3.08Å; S247-T261 VanDerWaalsContact N-OG1 3.09Å; S247-T261 PolarHBondContact O-N 2.93Å; S247-T261 PolarHBondContact O-OG1 3.33Å
248	C	98.9	Very high	98.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.8	178.4	62.7	0	0	0	0	112.7	C207 V224 M258 Y259 V260	C207-C248 WeakPolarHBondContact CB-O 3.42Å; C207-C248 PolarHBondContact SG-O 3.42Å; C207-C248 VanDerWaalsContact SG-O 3.38Å; V224-C248 HydrophobicContact CG1-CB 4.22Å; C248-M258 HydrophobicContact CB-CG 4.16Å; C248-M258 HydrophobicContact CB-SD 4.05Å; C248-Y259 CarbonylContact C-O 3.47Å; C248-Y259 WeakPolarHBondContact CA-O 3.48Å; C248-V260 HydrophobicContact CB-CG2 4.02Å
249	C	98.9	Very high	98.7	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.095	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.1	170.9	83.9	0	0	0	0	110.3	P20 M258 Y259	P20-C249 HydrophobicContact CB-CB 4.23Å; P20-C249 HydrophobicContact CG-CB 4.17Å; P20-C249 VanDerWaalsContact O-CB 3.22Å; P20-C249 WeakPolarHBondContact O-CB 3.27Å; C249-M258 CarbonylContact O-C 3.59Å; C249-M258 WeakPolarHBondContact O-CA 3.48Å; C249-Y259 PolarHBondContact N-O 2.94Å; C249-Y259 PolarHBondContact O-N 2.91Å
250	F	98.9	Very high	98.7	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	151.3	167	-75.3	-89.6	0	0	0	111.2	W22 D209 W215 Y255 E257 M258 L287 V289 G291	W22-F250 WeakPolarHBondContact CB-O 3.32Å; D209-F250 HydrophobicContact CB-CE2 3.84Å; D209-F250 HydrophobicContact CB-CZ 4.05Å; W215-F250 AromaticContact CD1-CE2 3.67Å; W215-F250 AromaticContact CD1-CZ 3.94Å; W215-F250 HydrophobicContact CG-CE2 4.28Å; W215-F250 AromaticContact NE1-CE2 3.88Å; W215-F250 AromaticContact NE1-CZ 3.68Å; F250-Y255 HydrophobicContact CB-CD1 4.43Å; F250-Y255 VanDerWaalsContact CD1-O 3.31Å; F250-Y255 WeakPolarHBondContact CD1-O 3.21Å; F250-E257 CarbonylContact C-O 3.57Å; F250-E257 VanDerWaalsContact CA-O 3.31Å; F250-E257 WeakPolarHBondContact CA-O 3.44Å; F250-M258 HydrophobicContact CD1-CB 4.37Å; F250-M258 HydrophobicContact CD2-CE 4.16Å; F250-M258 HydrophobicContact CE1-CB 4.33Å; F250-M258 HydrophobicContact CE1-CE 4.12Å; F250-M258 HydrophobicContact CE2-CE 3.49Å; F250-M258 VanDerWaalsContact CE2-CE 3.49Å; F250-M258 HydrophobicContact CZ-CE 3.47Å; F250-M258 VanDerWaalsContact CZ-CE 3.47Å; F250-L287 HydrophobicContact CE1-CD1 4.11Å; F250-L287 HydrophobicContact CZ-CD1 4.32Å; F250-V289 HydrophobicContact CE1-CG2 4.4Å; F250-V289 HydrophobicContact CZ-CG2 4.11Å; F250-G291 VanDerWaalsContact CD1-N 3.33Å; F250-G291 VanDerWaalsContact CD2-CA 3.46Å
251	G	98.8	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-158.5	178.7	0	0	0	0	0	111.6	W22 Y255 S256 E257	W22-G251 VanDerWaalsContact CD2-CA 3.48Å; G251-Y255 CarbonylContact O-C 3.56Å; G251-Y255 VanDerWaalsContact O-CA 3.22Å; G251-Y255 WeakPolarHBondContact O-CA 3.13Å; G251-S256 PolarHBondContact O-N 3.06Å; G251-E257 PolarHBondContact N-O 3.11Å; G251-E257 PolarHBondContact O-N 3.22Å
252	G	98.6	Very high	98.7	Very high	4 Å²	4	23.4 Å²	23.4	4%	0.041	12%	0.119	C	C	.	.	S	Bend	trans	63.4	-166.7	-172.5	0	0	0	0	0	112.4	W22 N254 Y255	W22-G252 VanDerWaalsContact CZ2-CA 3.45Å; G252-N254 PolarHBondContact O-N 2.61Å; G252-N254 VanDerWaalsContact O-N 3.15Å; G252-Y255 PolarHBondContact O-N 3.44Å; G252-Y255 VanDerWaalsContact O-N 3.12Å
253	K	97	Very high	98.7	Very high	163 Å²	163	23.4 Å²	23.4	71%	0.709	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	-58.2	121.2	-176.7	-174.8	176	-176.2	174.4	0	111	Y255 S256	K253-Y255 PolarHBondContact O-N 2.79Å; K253-S256 WeakPolarHBondContact O-CB 3.22Å; K253-S256 PolarHBondContact O-N 2.75Å; K253-S256 PolarHBondContact O-OG 2.9Å
254	N	97.4	Very high	98.6	Very high	88 Å²	88	23.7 Å²	23.7	47%	0.471	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	53.5	33.1	-179.9	-55.1	-47.7	0	0	0	113.5	G252 S256 K290	G252-N254 PolarHBondContact O-N 2.61Å; G252-N254 VanDerWaalsContact O-N 3.15Å; N254-S256 PolarHBondContact O-N 2.99Å; N254-S256 VanDerWaalsContact O-N 3.16Å; N254-K290 WeakPolarHBondContact O-CD 3.46Å
255	Y	98.7	Very high	98.6	Very high	22 Å²	22	25.1 Å²	25.1	9%	0.086	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	54.4	35.5	-180	-61.9	-86	0	0	0	113.4	W22 F250 G251 G252 K253 K290 G291 I292 A293	W22-Y255 HydrophobicContact CB-CE1 4.27Å; W22-Y255 AromaticContact CD1-CE1 3.55Å; W22-Y255 AromaticContact CD1-CZ 3.99Å; W22-Y255 HydrophobicContact CG-CE1 4.23Å; F250-Y255 HydrophobicContact CB-CD1 4.43Å; F250-Y255 VanDerWaalsContact CD1-O 3.31Å; F250-Y255 WeakPolarHBondContact CD1-O 3.21Å; G251-Y255 CarbonylContact O-C 3.56Å; G251-Y255 VanDerWaalsContact O-CA 3.22Å; G251-Y255 WeakPolarHBondContact O-CA 3.13Å; G252-Y255 PolarHBondContact O-N 3.44Å; G252-Y255 VanDerWaalsContact O-N 3.12Å; K253-Y255 PolarHBondContact O-N 2.79Å; Y255-K290 CarbonylContact O-C 3.51Å; Y255-K290 VanDerWaalsContact O-CA 3.25Å; Y255-K290 WeakPolarHBondContact O-CA 3.43Å; Y255-G291 PolarHBondContact O-N 3.44Å; Y255-I292 WeakPolarHBondContact CD1-O 3.14Å; Y255-A293 HydrophobicContact CE1-CB 4.19Å; Y255-A293 HydrophobicContact CE2-CB 3.86Å; Y255-A293 VanDerWaalsContact CZ-CB 3.49Å; Y255-A293 WeakPolarHBondContact OH-CA 3.33Å; Y255-A293 WeakPolarHBondContact OH-CB 3.31Å
256	S	98.6	Very high	98.4	Very high	47 Å²	47	28 Å²	28	33%	0.329	15%	0.153	S	C	.	.			trans	-97.7	-1.4	-174.8	63	0	0	0	0	114.5	G251 K253 N254	G251-S256 PolarHBondContact O-N 3.06Å; K253-S256 WeakPolarHBondContact O-CB 3.22Å; K253-S256 PolarHBondContact O-N 2.75Å; K253-S256 PolarHBondContact O-OG 2.9Å; N254-S256 PolarHBondContact O-N 2.99Å; N254-S256 VanDerWaalsContact O-N 3.16Å
257	E	98.8	Very high	98.3	Very high	41 Å²	41	29.5 Å²	29.5	19%	0.192	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.6	176.5	-50.7	-173.5	130	0	0	108.3	F250 G251 Y259 K283 T285	F250-E257 CarbonylContact C-O 3.57Å; F250-E257 VanDerWaalsContact CA-O 3.31Å; F250-E257 WeakPolarHBondContact CA-O 3.44Å; G251-E257 PolarHBondContact N-O 3.11Å; G251-E257 PolarHBondContact O-N 3.22Å; E257-Y259 HydrophobicContact CB-CE2 4.47Å; E257-Y259 PolarHBondContact OE2-OH 3.06Å; E257-K283 HydrophobicContact CB-CD 4.11Å; E257-K283 HydrophobicContact CB-CG 4.18Å; E257-K283 HydrophobicContact CG-CD 4.4Å; E257-K283 IonicContact OE1-NZ 2.72Å; E257-K283 PolarHBondContact OE1-NZ 3.14Å; E257-K283 WeakPolarHBondContact OE2-CD 3.48Å; E257-K283 IonicContact OE2-NZ 3.99Å; E257-K283 PolarHBondContact OE2-NZ 3.26Å; E257-T285 HydrophobicContact CB-CG2 4.41Å; E257-T285 HydrophobicContact CG-CG2 4.06Å
258	M	98.9	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.4	172.3	174.1	175.3	-76.8	0	0	109.4	W215 V224 C248 C249 F250 V260 K283 I284 L287	W215-M258 HydrophobicContact CB-CE 3.64Å; W215-M258 HydrophobicContact CD2-CE 3.45Å; W215-M258 VanDerWaalsContact CD2-CE 3.45Å; W215-M258 HydrophobicContact CD2-SD 4.43Å; W215-M258 HydrophobicContact CE3-CE 3.76Å; W215-M258 HydrophobicContact CE3-SD 4.14Å; W215-M258 HydrophobicContact CG-CE 3.39Å; V224-M258 HydrophobicContact CG2-SD 4.08Å; C248-M258 HydrophobicContact CB-CG 4.16Å; C248-M258 HydrophobicContact CB-SD 4.05Å; C249-M258 CarbonylContact O-C 3.59Å; C249-M258 WeakPolarHBondContact O-CA 3.48Å; F250-M258 HydrophobicContact CD1-CB 4.37Å; F250-M258 HydrophobicContact CD2-CE 4.16Å; F250-M258 HydrophobicContact CE1-CB 4.33Å; F250-M258 HydrophobicContact CE1-CE 4.12Å; F250-M258 HydrophobicContact CE2-CE 3.49Å; F250-M258 VanDerWaalsContact CE2-CE 3.49Å; F250-M258 HydrophobicContact CZ-CE 3.47Å; F250-M258 VanDerWaalsContact CZ-CE 3.47Å; M258-V260 HydrophobicContact CG-CG2 3.92Å; M258-V260 HydrophobicContact SD-CG2 4.19Å; M258-K283 CarbonylContact O-C 3.56Å; M258-K283 WeakPolarHBondContact O-CA 3.41Å; M258-I284 HydrophobicContact CB-CB 4.27Å; M258-I284 PolarHBondContact N-O 2.92Å; M258-I284 PolarHBondContact O-N 2.77Å; M258-I284 HydrophobicContact SD-CD1 4.31Å; M258-L287 HydrophobicContact CB-CD1 3.74Å; M258-L287 HydrophobicContact CE-CD1 4.07Å; M258-L287 HydrophobicContact SD-CD1 4.07Å
259	Y	99	Very high	98.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.8	170	-67.4	-84.1	0	0	0	109.3	V9 W22 L29 W42 C248 C249 E257 I281 F282 K283	V9-Y259 HydrophobicContact CG2-CD1 4.44Å; V9-Y259 HydrophobicContact CG2-CE1 4.29Å; W22-Y259 HydrophobicContact CD2-CE2 4.45Å; W22-Y259 HydrophobicContact CE3-CD2 4.12Å; W22-Y259 AromaticContact CE3-CE2 3.56Å; W22-Y259 HydrophobicContact CE3-CE2 3.56Å; W22-Y259 HydrophobicContact CH2-CE2 4.26Å; W22-Y259 HydrophobicContact CZ3-CD2 4.36Å; W22-Y259 AromaticContact CZ3-CE2 3.45Å; W22-Y259 HydrophobicContact CZ3-CE2 3.45Å; W22-Y259 VanDerWaalsContact CZ3-CE2 3.45Å; W22-Y259 AromaticContact CZ3-CZ 3.56Å; W22-Y259 WeakPolarHBondContact CZ3-OH 3.48Å; L29-Y259 HydrophobicContact CD1-CD2 4.1Å; L29-Y259 HydrophobicContact CD1-CG 3.95Å; L29-Y259 HydrophobicContact CD2-CD1 3.85Å; L29-Y259 HydrophobicContact CD2-CG 3.96Å; W42-Y259 HydrophobicContact CH2-CE1 4.17Å; W42-Y259 AromaticContact CZ3-CE1 3.59Å; W42-Y259 HydrophobicContact CZ3-CE1 3.59Å; C248-Y259 CarbonylContact C-O 3.47Å; C248-Y259 WeakPolarHBondContact CA-O 3.48Å; C249-Y259 PolarHBondContact N-O 2.94Å; C249-Y259 PolarHBondContact O-N 2.91Å; E257-Y259 HydrophobicContact CB-CE2 4.47Å; E257-Y259 PolarHBondContact OE2-OH 3.06Å; Y259-I281 HydrophobicContact CD1-CG2 4.33Å; Y259-F282 CarbonylContact C-O 3.59Å; Y259-F282 WeakPolarHBondContact CA-O 3.3Å; Y259-K283 HydrophobicContact CD1-CB 4.33Å; Y259-K283 HydrophobicContact CD1-CG 4.4Å; Y259-K283 HydrophobicContact CE1-CB 4.21Å; Y259-K283 HydrophobicContact CE1-CD 3.87Å; Y259-K283 HydrophobicContact CE1-CG 4.06Å
260	V	99	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.3	-178.2	-176.2	0	0	0	0	108.9	V224 L240 T245 S247 C248 M258 F282 I284	V224-V260 HydrophobicContact CG1-CG1 4.16Å; V224-V260 HydrophobicContact CG1-CG2 4.05Å; L240-V260 HydrophobicContact CD2-CB 3.83Å; L240-V260 HydrophobicContact CD2-CG1 3.62Å; L240-V260 HydrophobicContact CD2-CG2 4.19Å; T245-V260 HydrophobicContact CG2-CG1 4.12Å; S247-V260 WeakPolarHBondContact O-CA 3.4Å; S247-V260 WeakPolarHBondContact O-CG1 3.46Å; C248-V260 HydrophobicContact CB-CG2 4.02Å; M258-V260 HydrophobicContact CG-CG2 3.92Å; M258-V260 HydrophobicContact SD-CG2 4.19Å; V260-F282 HydrophobicContact CB-CB 4.33Å; V260-F282 PolarHBondContact N-O 3.35Å; V260-F282 PolarHBondContact O-N 3.46Å; V260-I284 HydrophobicContact CG2-CD1 3.74Å; V260-I284 HydrophobicContact CG2-CG1 4.18Å
261	T	99	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	157.8	172.5	51.7	0	0	0	0	110.4	G17 P20 F31 T246 S247 I281	G17-T261 VanDerWaalsContact O-CB 3.31Å; G17-T261 WeakPolarHBondContact O-CB 3.43Å; G17-T261 PolarHBondContact O-OG1 3.19Å; P20-T261 HydrophobicContact CB-CG2 3.97Å; P20-T261 HydrophobicContact CG-CG2 4.03Å; F31-T261 HydrophobicContact CB-CG2 4.34Å; T246-T261 PolarHBondContact N-O 3.37Å; T246-T261 WeakPolarHBondContact OG1-CB 3.3Å; T246-T261 PolarHBondContact OG1-O 2.76Å; T246-T261 PolarHBondContact OG1-OG1 3.3Å; S247-T261 WeakPolarHBondContact CB-OG1 3.07Å; S247-T261 PolarHBondContact N-OG1 3.08Å; S247-T261 VanDerWaalsContact N-OG1 3.09Å; S247-T261 PolarHBondContact O-N 2.93Å; S247-T261 PolarHBondContact O-OG1 3.33Å; T261-I281 HydrophobicContact CG2-CD1 3.84Å
262	C	98.9	Very high	98	Very high	1 Å²	1	46 Å²	46	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	168.5	173	68.6	0	0	0	0	111.8	G17 V242 K244 T246 G279 G280	G17-C262 PolarHBondContact N-O 2.78Å; G17-C262 VanDerWaalsContact N-O 3.08Å; V242-C262 HydrophobicContact CB-CB 4.49Å; V242-C262 HydrophobicContact CG2-CB 3.82Å; K244-C262 CarbonylContact O-C 3.32Å; K244-C262 WeakPolarHBondContact O-CA 3.38Å; K244-C262 WeakPolarHBondContact O-CB 3.16Å; T246-C262 WeakPolarHBondContact OG1-CA 3.37Å; T246-C262 PolarHBondContact OG1-N 2.86Å; C262-G279 PolarHBondContact SG-N 3.23Å; C262-G280 PolarHBondContact SG-N 2.88Å; C262-G280 PolarHBondContact SG-O 3.44Å
263	A	98.7	Very high	97.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-110.2	152.6	178.9	0	0	0	0	0	112.5	R15 C16 Y219 K244 T246	R15-A263 WeakPolarHBondContact O-CB 3.43Å; C16-A263 HydrophobicContact CB-CB 4.17Å; Y219-A263 HydrophobicContact CE2-CB 4.13Å; K244-A263 HydrophobicContact CB-CB 4Å; K244-A263 WeakPolarHBondContact CB-O 3.32Å; K244-A263 HydrophobicContact CD-CB 4.34Å; K244-A263 PolarHBondContact O-N 2.97Å; T246-A263 HydrophobicContact CG2-CB 3.97Å
264	R	97.9	Very high	98	Very high	81 Å²	81	53.4 Å²	53.4	31%	0.306	28%	0.282	S	S	.	.			trans	-108.1	-26.2	171.9	-166	173.8	-152.9	-170.1	7.8	112.3	C14 R15 M267 L272 A278	C14-R264 WeakPolarHBondContact O-CB 3.16Å; C14-R264 PolarHBondContact O-N 3.41Å; R15-R264 PolarHBondContact O-N 2.9Å; R264-M267 WeakPolarHBondContact O-CB 3.28Å; R264-M267 VanDerWaalsContact O-CG 3.31Å; R264-M267 WeakPolarHBondContact O-CG 3.3Å; R264-M267 PolarHBondContact O-N 2.72Å; R264-L272 HydrophobicContact CG-CD2 3.47Å; R264-L272 VanDerWaalsContact CG-CD2 3.47Å; R264-A278 HydrophobicContact CB-CB 4.48Å; R264-A278 HydrophobicContact CG-CB 4.23Å
265	D	96.9	Very high	98	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	143.9	-179.8	-87.1	7.4	0	0	0	112.3	R15 K244 M267	R15-D265 WeakPolarHBondContact CB-OD1 3.48Å; R15-D265 WeakPolarHBondContact CG-OD1 3.33Å; R15-D265 IonicContact CZ-OD1 3.64Å; R15-D265 IonicContact CZ-OD2 3.17Å; R15-D265 IonicContact NE-OD1 2.88Å; R15-D265 PolarHBondContact NE-OD1 3.43Å; R15-D265 IonicContact NE-OD2 3.02Å; R15-D265 PolarHBondContact NE-OD2 2.68Å; R15-D265 IonicContact NH2-OD1 3.52Å; R15-D265 IonicContact NH2-OD2 2.69Å; R15-D265 PolarHBondContact NH2-OD2 2.93Å; R15-D265 WeakPolarHBondContact O-CB 3.34Å; R15-D265 PolarHBondContact O-N 3.3Å; K244-D265 WeakPolarHBondContact CD-O 3.36Å; K244-D265 WeakPolarHBondContact CE-O 3.34Å; D265-M267 VanDerWaalsContact C-N 3.28Å; D265-M267 PolarHBondContact O-N 3.42Å
266	G	94.8	Very high	98	Very high	60 Å²	60	53.1 Å²	53.1	62%	0.619	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	6.8	-179.2	0	0	0	0	0	114.9
267	M	96.8	Very high	98	Very high	33 Å²	33	54.7 Å²	54.7	16%	0.163	29%	0.288	C	S	.	.			trans	-86.8	141.7	170.9	-60.3	-176.7	77	0	0	111.1	K244 R264 D265 L272 Q275 A278	K244-M267 HydrophobicContact CD-CG 3.92Å; K244-M267 HydrophobicContact CD-SD 4.43Å; R264-M267 WeakPolarHBondContact O-CB 3.28Å; R264-M267 VanDerWaalsContact O-CG 3.31Å; R264-M267 WeakPolarHBondContact O-CG 3.3Å; R264-M267 PolarHBondContact O-N 2.72Å; D265-M267 VanDerWaalsContact C-N 3.28Å; D265-M267 PolarHBondContact O-N 3.42Å; M267-L272 HydrophobicContact CB-CD2 3.85Å; M267-L272 HydrophobicContact CB-CG 3.94Å; M267-L272 HydrophobicContact CG-CD2 4.49Å; M267-L272 HydrophobicContact SD-CD2 3.98Å; M267-Q275 HydrophobicContact CE-CB 3.85Å; M267-Q275 HydrophobicContact CE-CG 4.13Å; M267-A278 HydrophobicContact CE-CB 4.22Å; M267-A278 HydrophobicContact SD-CB 3.53Å; M267-A278 VanDerWaalsContact SD-CB 3.53Å
268	D	96.7	Very high	98	Very high	85 Å²	85	52.7 Å²	52.7	46%	0.455	28%	0.279	S	S	.	.			trans	-82.4	168.3	171.3	67.5	0.6	0	0	0	111.2	E270 G271 L272	D268-E270 PolarHBondContact O-N 2.92Å; D268-G271 PolarHBondContact O-N 2.87Å; D268-G271 VanDerWaalsContact O-N 3.17Å; D268-G271 WeakPolarHBondContact OD1-CA 3.48Å; D268-G271 PolarHBondContact OD1-N 3.01Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 2.82Å
269	P	97.7	Very high	98	Very high	102 Å²	102	52.7 Å²	52.7	66%	0.662	28%	0.279	S	S	*	.	H	α-helix	trans	-56.1	-36.1	-179.5	-28.8	37.1	0	0	0	114.1	L272 L273	P269-L272 PolarHBondContact O-N 3.16Å; P269-L273 WeakPolarHBondContact O-CG 3.45Å; P269-L273 PolarHBondContact O-N 3.36Å
270	E	98	Very high	98	Very high	134 Å²	134	52.6 Å²	52.6	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-70.3	-38.8	178.1	-66.3	-173.2	-177.9	0	0	112.5	D268 L273 R274	D268-E270 PolarHBondContact O-N 2.92Å; E270-L273 PolarHBondContact O-N 3.19Å; E270-R274 WeakPolarHBondContact O-CG 3.48Å; E270-R274 PolarHBondContact O-N 3.24Å; E270-R274 PolarHBondContact O-NE 2.9Å
271	G	97.6	Very high	98	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-45.9	172.3	0	0	0	0	0	111.4	D268 L273 R274 Q275	D268-G271 PolarHBondContact O-N 2.87Å; D268-G271 VanDerWaalsContact O-N 3.17Å; D268-G271 WeakPolarHBondContact OD1-CA 3.48Å; D268-G271 PolarHBondContact OD1-N 3.01Å; G271-L273 VanDerWaalsContact C-N 3.33Å; G271-L273 PolarHBondContact O-N 2.73Å; G271-R274 PolarHBondContact O-N 2.91Å; G271-Q275 WeakPolarHBondContact O-CB 3.36Å; G271-Q275 PolarHBondContact O-N 3.37Å
272	L	98	Very high	98	Very high	51 Å²	51	52.6 Å²	52.6	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-36.9	177.3	-69.2	177.1	0	0	0	112.9	R264 M267 D268 P269 Q275	R264-L272 HydrophobicContact CG-CD2 3.47Å; R264-L272 VanDerWaalsContact CG-CD2 3.47Å; M267-L272 HydrophobicContact CB-CD2 3.85Å; M267-L272 HydrophobicContact CB-CG 3.94Å; M267-L272 HydrophobicContact CG-CD2 4.49Å; M267-L272 HydrophobicContact SD-CD2 3.98Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 2.82Å; P269-L272 PolarHBondContact O-N 3.16Å; L272-Q275 CarbonylContact O-C 3.56Å; L272-Q275 PolarHBondContact O-N 3.15Å
273	L	98	Very high	98	Very high	145 Å²	145	54 Å²	54	76%	0.759	29%	0.285	S	S	*	.	H	α-helix	trans	-66.8	-37.6	173.9	-74.5	170.7	0	0	0	112.2	P269 E270 G271	P269-L273 WeakPolarHBondContact O-CG 3.45Å; P269-L273 PolarHBondContact O-N 3.36Å; E270-L273 PolarHBondContact O-N 3.19Å; G271-L273 VanDerWaalsContact C-N 3.33Å; G271-L273 PolarHBondContact O-N 2.73Å
274	R	98.2	Very high	98	Very high	179 Å²	179	54 Å²	54	68%	0.675	28%	0.284	S	S	*	.	H	α-helix	trans	-75.5	-25	177.6	-73.6	-175.6	-67.9	167.3	-2.1	113.4	E270 G271 P276	E270-R274 WeakPolarHBondContact O-CG 3.48Å; E270-R274 PolarHBondContact O-N 3.24Å; E270-R274 PolarHBondContact O-NE 2.9Å; G271-R274 PolarHBondContact O-N 2.91Å; R274-P276 VanDerWaalsContact C-CD 3.48Å; R274-P276 WeakPolarHBondContact O-CD 3.2Å
275	Q	98.6	Very high	98	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.065	28%	0.279	C	S	.	.			trans	-128.2	68.8	-175.1	-61.9	171.3	53	0	0	109.3	D243 M267 G271 L272 E277 A278	D243-Q275 PolarHBondContact OD2-NE2 3.18Å; M267-Q275 HydrophobicContact CE-CB 3.85Å; M267-Q275 HydrophobicContact CE-CG 4.13Å; G271-Q275 WeakPolarHBondContact O-CB 3.36Å; G271-Q275 PolarHBondContact O-N 3.37Å; L272-Q275 CarbonylContact O-C 3.56Å; L272-Q275 PolarHBondContact O-N 3.15Å; Q275-E277 PolarHBondContact O-N 2.91Å; Q275-E277 VanDerWaalsContact O-N 3.11Å; Q275-A278 HydrophobicContact CB-CB 4.21Å; Q275-A278 VanDerWaalsContact O-CB 3.28Å; Q275-A278 WeakPolarHBondContact O-CB 3.07Å; Q275-A278 PolarHBondContact O-N 2.84Å
276	P	98.4	Very high	98.1	Very high	90 Å²	90	50.3 Å²	50.3	58%	0.584	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.3	-174.2	26.3	-35.6	0	0	0	113.3	R274	R274-P276 VanDerWaalsContact C-CD 3.48Å; R274-P276 WeakPolarHBondContact O-CD 3.2Å
277	E	98.6	Very high	98.3	Very high	79 Å²	79	48 Å²	48	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.9	178.7	-59.4	-178.1	137.2	0	0	113.1	C8 Q275 G279 G280 F282	C8-E277 HydrophobicContact CB-CB 4.44Å; C8-E277 VanDerWaalsContact CB-CD 3.44Å; C8-E277 HydrophobicContact CB-CG 4.27Å; C8-E277 WeakPolarHBondContact CB-OE1 3.41Å; Q275-E277 PolarHBondContact O-N 2.91Å; Q275-E277 VanDerWaalsContact O-N 3.11Å; E277-G279 PolarHBondContact O-N 2.69Å; E277-G280 WeakPolarHBondContact O-CA 3.43Å; E277-G280 PolarHBondContact O-N 3.27Å; E277-F282 HydrophobicContact CB-CE1 4.41Å; E277-F282 HydrophobicContact CB-CZ 3.73Å
278	A	98.7	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	132.2	174.9	0	0	0	0	0	111.7	V242 R264 M267 Q275 G280	V242-A278 HydrophobicContact CG1-CB 4.36Å; R264-A278 HydrophobicContact CB-CB 4.48Å; R264-A278 HydrophobicContact CG-CB 4.23Å; M267-A278 HydrophobicContact CE-CB 4.22Å; M267-A278 HydrophobicContact SD-CB 3.53Å; M267-A278 VanDerWaalsContact SD-CB 3.53Å; Q275-A278 HydrophobicContact CB-CB 4.21Å; Q275-A278 VanDerWaalsContact O-CB 3.28Å; Q275-A278 WeakPolarHBondContact O-CB 3.07Å; Q275-A278 PolarHBondContact O-N 2.84Å; A278-G280 VanDerWaalsContact C-N 3.32Å
279	G	98.7	Very high	98.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	2.7	-168.9	0	0	0	0	0	114.4	N13 C14 C262 E277	N13-G279 PolarHBondContact N-O 3.02Å; C14-G279 WeakPolarHBondContact CB-O 3.28Å; C14-G279 PolarHBondContact N-O 3.36Å; C14-G279 VanDerWaalsContact O-CA 3.25Å; C14-G279 WeakPolarHBondContact O-CA 3.28Å; C262-G279 PolarHBondContact SG-N 3.23Å; E277-G279 PolarHBondContact O-N 2.69Å
280	G	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-77.2	170.6	172.2	0	0	0	0	0	113.5	L10 C262 E277 A278	L10-G280 CarbonylContact O-C 3.46Å; L10-G280 WeakPolarHBondContact O-CA 3.44Å; C262-G280 PolarHBondContact SG-N 2.88Å; C262-G280 PolarHBondContact SG-O 3.44Å; E277-G280 WeakPolarHBondContact O-CA 3.43Å; E277-G280 PolarHBondContact O-N 3.27Å; A278-G280 VanDerWaalsContact C-N 3.32Å
281	I	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.4	169.7	-49.7	-60	0	0	0	108.4	V9 L10 L29 F31 Y259 T261	V9-I281 HydrophobicContact CG2-CB 4.29Å; V9-I281 HydrophobicContact CG2-CG2 4.12Å; V9-I281 VanDerWaalsContact CG2-O 3.29Å; V9-I281 WeakPolarHBondContact CG2-O 3.42Å; V9-I281 PolarHBondContact N-O 3.16Å; L10-I281 HydrophobicContact CB-CB 4.09Å; L10-I281 HydrophobicContact CB-CG1 4.15Å; L10-I281 HydrophobicContact CD2-CG1 4.08Å; L10-I281 PolarHBondContact N-O 2.68Å; L10-I281 PolarHBondContact O-N 3.42Å; L29-I281 HydrophobicContact CD2-CG2 3.63Å; F31-I281 HydrophobicContact CD1-CD1 4.42Å; F31-I281 HydrophobicContact CD2-CD1 3.99Å; F31-I281 HydrophobicContact CE1-CD1 4.44Å; F31-I281 HydrophobicContact CE1-CG1 4.29Å; F31-I281 HydrophobicContact CE2-CD1 4.01Å; F31-I281 HydrophobicContact CE2-CG1 4.42Å; F31-I281 HydrophobicContact CG-CD1 4.19Å; F31-I281 HydrophobicContact CZ-CD1 4.24Å; F31-I281 HydrophobicContact CZ-CG1 4.17Å; Y259-I281 HydrophobicContact CD1-CG2 4.33Å; T261-I281 HydrophobicContact CG2-CD1 3.84Å
282	F	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.3	179.1	-68.4	-92.8	0	0	0	110.9	I6 E7 C8 L240 P241 V242 Y259 V260 E277	I6-F282 HydrophobicContact CG2-CD1 4.06Å; E7-F282 CarbonylContact O-C 3.59Å; E7-F282 WeakPolarHBondContact O-CA 3.29Å; C8-F282 HydrophobicContact CB-CD1 4.13Å; C8-F282 HydrophobicContact CB-CE1 3.8Å; C8-F282 HydrophobicContact CB-CZ 4.25Å; L240-F282 HydrophobicContact CD2-CB 3.83Å; L240-F282 HydrophobicContact CD2-CD2 4.3Å; L240-F282 HydrophobicContact CD2-CG 3.99Å; P241-F282 HydrophobicContact CG-CD1 4.3Å; P241-F282 HydrophobicContact CG-CE1 3.48Å; P241-F282 VanDerWaalsContact CG-CE1 3.48Å; P241-F282 HydrophobicContact CG-CZ 3.98Å; V242-F282 HydrophobicContact CB-CE2 4.3Å; V242-F282 HydrophobicContact CB-CZ 4.46Å; V242-F282 HydrophobicContact CG1-CE2 3.75Å; V242-F282 HydrophobicContact CG1-CZ 3.61Å; V242-F282 HydrophobicContact CG2-CD2 4.08Å; V242-F282 HydrophobicContact CG2-CE2 3.5Å; V242-F282 HydrophobicContact CG2-CZ 3.96Å; Y259-F282 CarbonylContact C-O 3.59Å; Y259-F282 WeakPolarHBondContact CA-O 3.3Å; V260-F282 HydrophobicContact CB-CB 4.33Å; V260-F282 PolarHBondContact N-O 3.35Å; V260-F282 PolarHBondContact O-N 3.46Å; E277-F282 HydrophobicContact CB-CE1 4.41Å; E277-F282 HydrophobicContact CB-CZ 3.73Å
283	K	98.9	Very high	98.6	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131	169.1	-171.6	173.1	71.7	156	0	109.8	I6 E7 V9 E257 M258 Y259 T285	I6-K283 WeakPolarHBondContact CA-O 3.47Å; E7-K283 HydrophobicContact CG-CB 4.34Å; E7-K283 PolarHBondContact N-O 3.47Å; E7-K283 PolarHBondContact O-N 3Å; V9-K283 HydrophobicContact CG1-CB 3.47Å; V9-K283 VanDerWaalsContact CG1-CB 3.47Å; V9-K283 HydrophobicContact CG1-CD 4.24Å; V9-K283 HydrophobicContact CG1-CG 4.48Å; V9-K283 HydrophobicContact CG2-CB 4.25Å; E257-K283 HydrophobicContact CB-CD 4.11Å; E257-K283 HydrophobicContact CB-CG 4.18Å; E257-K283 HydrophobicContact CG-CD 4.4Å; E257-K283 IonicContact OE1-NZ 2.72Å; E257-K283 PolarHBondContact OE1-NZ 3.14Å; E257-K283 WeakPolarHBondContact OE2-CD 3.48Å; E257-K283 IonicContact OE2-NZ 3.99Å; E257-K283 PolarHBondContact OE2-NZ 3.26Å; M258-K283 CarbonylContact O-C 3.56Å; M258-K283 WeakPolarHBondContact O-CA 3.41Å; Y259-K283 HydrophobicContact CD1-CB 4.33Å; Y259-K283 HydrophobicContact CD1-CG 4.4Å; Y259-K283 HydrophobicContact CE1-CB 4.21Å; Y259-K283 HydrophobicContact CE1-CD 3.87Å; Y259-K283 HydrophobicContact CE1-CG 4.06Å; K283-T285 HydrophobicContact CD-CG2 4.33Å; K283-T285 HydrophobicContact CG-CG2 4.19Å
284	I	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.1	174.7	-45.9	180	0	0	0	108.2	I4 K5 I6 V224 V238 L240 M258 V260 L287	I4-I284 HydrophobicContact CG2-CG2 3.85Å; K5-I284 WeakPolarHBondContact O-CA 3.49Å; I6-I284 HydrophobicContact CG1-CG1 4.28Å; I6-I284 HydrophobicContact CG1-CG2 4.18Å; V224-I284 HydrophobicContact CG2-CD1 3.98Å; V238-I284 HydrophobicContact CG1-CD1 4.02Å; V238-I284 HydrophobicContact CG1-CG2 4.25Å; L240-I284 HydrophobicContact CD1-CD1 4.17Å; M258-I284 HydrophobicContact CB-CB 4.27Å; M258-I284 PolarHBondContact N-O 2.92Å; M258-I284 PolarHBondContact O-N 2.77Å; M258-I284 HydrophobicContact SD-CD1 4.31Å; V260-I284 HydrophobicContact CG2-CD1 3.74Å; V260-I284 HydrophobicContact CG2-CG1 4.18Å; I284-L287 HydrophobicContact CG2-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD2 3.68Å; I284-L287 HydrophobicContact CG2-CG 3.93Å
285	T	98.7	Very high	98.7	Very high	32 Å²	32	33 Å²	33	20%	0.196	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160	175.8	62.3	0	0	0	0	110.1	I4 K5 E257 K283	I4-T285 WeakPolarHBondContact CA-O 3.46Å; K5-T285 PolarHBondContact N-O 3.17Å; K5-T285 PolarHBondContact O-N 3.23Å; E257-T285 HydrophobicContact CB-CG2 4.41Å; E257-T285 HydrophobicContact CG-CG2 4.06Å; K283-T285 HydrophobicContact CD-CG2 4.33Å; K283-T285 HydrophobicContact CG-CG2 4.19Å
286	G	98.2	Very high	98.7	Very high	18 Å²	18	33.8 Å²	33.8	19%	0.186	21%	0.207	C	C	.	.			trans	74.8	24.1	179.2	0	0	0	0	0	114.7	S2 G288	S2-G286 WeakPolarHBondContact OG-CA 3.45Å; G286-G288 PolarHBondContact O-N 3.48Å
287	L	98.5	Very high	98.7	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	18%	0.179	C	C	.	.			trans	-65	-19	172.8	-69.3	179.3	0	0	0	113.2	I4 W215 V238 F250 M258 I284 V289	I4-L287 HydrophobicContact CD1-CD2 4.39Å; W215-L287 HydrophobicContact CH2-CD1 4.01Å; W215-L287 HydrophobicContact CH2-CD2 3.74Å; W215-L287 HydrophobicContact CH2-CG 4.31Å; W215-L287 HydrophobicContact CZ2-CD1 4.15Å; W215-L287 HydrophobicContact CZ3-CD1 4.36Å; W215-L287 HydrophobicContact CZ3-CD2 4.15Å; V238-L287 HydrophobicContact CG2-CD2 3.9Å; F250-L287 HydrophobicContact CE1-CD1 4.11Å; F250-L287 HydrophobicContact CZ-CD1 4.32Å; M258-L287 HydrophobicContact CB-CD1 3.74Å; M258-L287 HydrophobicContact CE-CD1 4.07Å; M258-L287 HydrophobicContact SD-CD1 4.07Å; I284-L287 HydrophobicContact CG2-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD2 3.68Å; I284-L287 HydrophobicContact CG2-CG 3.93Å; L287-V289 HydrophobicContact CB-CG2 4.18Å; L287-V289 PolarHBondContact O-N 3.18Å
288	G	97.8	Very high	98.7	Very high	74 Å²	74	28.4 Å²	28.4	76%	0.763	18%	0.183	S	C	*	.	S	Bend	trans	79.3	1.7	-178	0	0	0	0	0	114.4	G286	G286-G288 PolarHBondContact O-N 3.48Å
289	V	98.5	Very high	98.6	Very high	16 Å²	16	29.3 Å²	29.3	10%	0.097	19%	0.193	C	C	.	.			trans	-131.9	164.7	177.6	-58.2	0	0	0	0	110.2	D209 E211 W215 F250 L287	D209-V289 HydrophobicContact CB-CG2 4.47Å; E211-V289 WeakPolarHBondContact OE1-CG1 3.35Å; W215-V289 HydrophobicContact CZ2-CG2 3.82Å; F250-V289 HydrophobicContact CE1-CG2 4.4Å; F250-V289 HydrophobicContact CZ-CG2 4.11Å; L287-V289 HydrophobicContact CB-CG2 4.18Å; L287-V289 PolarHBondContact O-N 3.18Å
290	K	98.8	Very high	98.6	Very high	105 Å²	105	30.8 Å²	30.8	46%	0.457	20%	0.203	S	C	.	.			trans	-119.6	156	175.2	-63.2	174.3	175.8	-177.6	0	109.5	D209 A210 N254 Y255	D209-K290 WeakPolarHBondContact CB-O 3.33Å; A210-K290 VanDerWaalsContact CB-O 3.29Å; A210-K290 WeakPolarHBondContact CB-O 3.19Å; A210-K290 PolarHBondContact N-O 3.22Å; N254-K290 WeakPolarHBondContact O-CD 3.46Å; Y255-K290 CarbonylContact O-C 3.51Å; Y255-K290 VanDerWaalsContact O-CA 3.25Å; Y255-K290 WeakPolarHBondContact O-CA 3.43Å
291	G	98.8	Very high	98.6	Very high	8 Å²	8	32.4 Å²	32.4	8%	0.082	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-91.9	-161	167.1	0	0	0	0	0	113.4	F250 Y255	F250-G291 VanDerWaalsContact CD1-N 3.33Å; F250-G291 VanDerWaalsContact CD2-CA 3.46Å; Y255-G291 PolarHBondContact O-N 3.44Å
292	I	98.8	Very high	98.6	Very high	54 Å²	54	34.2 Å²	34.2	28%	0.277	23%	0.225	S	C	.	.			trans	-124.8	162.1	176.8	62.8	171.8	0	0	0	110.3	L160 I208 A210 Y255	L160-I292 HydrophobicContact CD2-CD1 3.99Å; L160-I292 HydrophobicContact CD2-CG2 4.09Å; I208-I292 HydrophobicContact CG2-CD1 3.65Å; I208-I292 HydrophobicContact CG2-CG1 4.14Å; A210-I292 HydrophobicContact CB-CG2 4.29Å; Y255-I292 WeakPolarHBondContact CD1-O 3.14Å
293	A	98.8	Very high	98.6	Very high	44 Å²	44	36.2 Å²	36.2	36%	0.364	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-65.3	142.8	173	0	0	0	0	0	111.6	Y255	Y255-A293 HydrophobicContact CE1-CB 4.19Å; Y255-A293 HydrophobicContact CE2-CB 3.86Å; Y255-A293 VanDerWaalsContact CZ-CB 3.49Å; Y255-A293 WeakPolarHBondContact OH-CA 3.33Å; Y255-A293 WeakPolarHBondContact OH-CB 3.31Å
294	P	98.8	Very high	98.6	Very high	43 Å²	43	36.6 Å²	36.6	28%	0.279	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-67.3	149.1	169.1	30.6	-34.3	0	0	0	110.4	V21 W22 L63	V21-P294 HydrophobicContact CG1-CB 4.11Å; V21-P294 HydrophobicContact CG1-CG 3.93Å; W22-P294 VanDerWaalsContact O-CG 3.29Å; W22-P294 WeakPolarHBondContact O-CG 3.45Å; L63-P294 HydrophobicContact CD1-CG 4.04Å
295	Y	98.9	Very high	98.5	Very high	74 Å²	74	39 Å²	39	29%	0.29	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-76.2	153.9	168	-62.1	-75	0	0	0	110.9	D108 P109 H162	D108-Y295 WeakPolarHBondContact O-CB 3.34Å; P109-Y295 HydrophobicContact CB-CD1 4.46Å; P109-Y295 HydrophobicContact CB-CD2 4.28Å; P109-Y295 HydrophobicContact CB-CE1 3.92Å; P109-Y295 HydrophobicContact CB-CE2 3.72Å; P109-Y295 HydrophobicContact CG-CD2 4.2Å; P109-Y295 HydrophobicContact CG-CE2 3.57Å; H162-Y295 PolarHBondContact NE2-OH 3.34Å
296	S	98.9	Very high	98.5	Very high	30 Å²	30	39.5 Å²	39.5	21%	0.21	27%	0.266	C	S	.	.			trans	-104.9	138.3	175.5	-62.8	0	0	0	0	110.2	L63 G111 A298	L63-S296 VanDerWaalsContact CB-OG 3.32Å; L63-S296 WeakPolarHBondContact CB-OG 3.46Å; L63-S296 CarbonylContact O-C 3.6Å; L63-S296 WeakPolarHBondContact O-CA 3.39Å; G111-S296 WeakPolarHBondContact CA-O 3.35Å; S296-A298 PolarHBondContact O-N 3.42Å
297	Y	98.9	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-60.6	131.9	176.2	172.9	-112.6	0	0	0	110	L63 R64 Q65 V70 L90 G111 L137 F138 H141 G299	L63-Y297 PolarHBondContact O-N 2.73Å; R64-Y297 HydrophobicContact CG-CD1 4.21Å; Q65-Y297 WeakPolarHBondContact CB-O 3.38Å; Q65-Y297 PolarHBondContact N-O 3.48Å; V70-Y297 HydrophobicContact CB-CD1 4.5Å; V70-Y297 HydrophobicContact CG1-CD1 3.42Å; V70-Y297 VanDerWaalsContact CG1-CD1 3.42Å; V70-Y297 HydrophobicContact CG1-CE1 3.99Å; V70-Y297 HydrophobicContact CG1-CG 4.05Å; V70-Y297 HydrophobicContact CG2-CD1 4.38Å; V70-Y297 HydrophobicContact CG2-CG 4.17Å; L90-Y297 HydrophobicContact CD1-CE1 4.04Å; G111-Y297 WeakPolarHBondContact O-CD2 3.42Å; L137-Y297 HydrophobicContact CB-CE2 4.47Å; L137-Y297 HydrophobicContact CD2-CE1 4.27Å; L137-Y297 HydrophobicContact CD2-CE2 3.86Å; L137-Y297 VanDerWaalsContact CD2-OH 3.31Å; L137-Y297 WeakPolarHBondContact CD2-OH 3.41Å; L137-Y297 HydrophobicContact CG-CE2 4.01Å; F138-Y297 PolarHBondContact O-OH 2.79Å; H141-Y297 PolarHBondContact CD2-OH 2.93Å; Y297-G299 WeakPolarHBondContact CE1-O 3.33Å
298	A	98.7	Very high	98.6	Very high	55 Å²	55	43.6 Å²	43.6	46%	0.455	29%	0.29	S	S	.	.			trans	-91.8	-5	-169	0	0	0	0	0	114.9	G111 P139 S296	G111-A298 PolarHBondContact O-N 3.05Å; P139-A298 HydrophobicContact CB-CB 4.06Å; P139-A298 HydrophobicContact CG-CB 3.95Å; S296-A298 PolarHBondContact O-N 3.42Å
299	G	96.9	Very high	98.6	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	25%	0.247	C	C	.	.			trans	-97	0	178.3	0	0	0	0	0	115.1	R64 P139 H141 Y297	R64-G299 PolarHBondContact NE-O 3.04Å; R64-G299 PolarHBondContact NH2-O 3.02Å; R64-G299 PolarHBondContact NH2-OXT 3.33Å; P139-G299 WeakPolarHBondContact O-CA 3.29Å; H141-G299 PolarHBondContact NE2-OXT 3.06Å; Y297-G299 WeakPolarHBondContact CE1-O 3.33Å

Retrieved 299 of 299 residues in 418.6 ms (Link to these results)

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