A0A077Z4B1_TRITR Loading...

Eukaryotic translation initiation factor 3 subunit I

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation.

AlphaFold DB , UniProt , Accession A0A077Z4B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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	59.2	Low	88.6	Confident	165 Å²	165	98.3 Å²	98.3	81%	0.813	46%	0.456	S	S	*	.				0	155.2	0	-157.3	-179.9	-151.2	0	0	109.4	E318	M1-E318 PolarHBondContact N-OE1 2.85Å
2	K	78.8	Confident	89.2	Confident	198 Å²	198	91.9 Å²	91.9	86%	0.861	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-69.6	130.9	172.7	-81.5	-174.1	-179.6	178	0	108.9
3	P	84.1	Confident	89.9	Confident	53 Å²	53	84.8 Å²	84.8	34%	0.344	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.5	145	179.9	28.2	-34.6	0	0	0	110.9	I314 N315	P3-I314 WeakPolarHBondContact CA-O 3.22Å; P3-I314 WeakPolarHBondContact CB-O 3.23Å; P3-N315 VanDerWaalsContact CB-OD1 3.23Å; P3-N315 WeakPolarHBondContact CB-OD1 3.44Å
4	L	93.5	Very high	90.4	Very high	65 Å²	65	80.1 Å²	80.1	34%	0.34	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.1	169.9	176	70.3	0	0	0	108.3	L6 P39 R313 I314	L4-L6 HydrophobicContact CD2-CD2 4.09Å; L4-L6 HydrophobicContact CG-CD2 4.14Å; L4-P39 WeakPolarHBondContact CD2-O 3.44Å; L4-R313 WeakPolarHBondContact O-CA 3.23Å; L4-I314 HydrophobicContact CB-CB 4.2Å; L4-I314 HydrophobicContact CD2-CG1 4.49Å; L4-I314 PolarHBondContact N-O 2.79Å; L4-I314 VanDerWaalsContact N-O 3.14Å; L4-I314 PolarHBondContact O-N 2.9Å
5	V	95.3	Very high	90.9	Very high	34 Å²	34	77.9 Å²	77.9	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.9	-176.6	-170.8	0	0	0	0	109.5	R7 N311 I312 R313	V5-R7 HydrophobicContact CG1-CG 3.89Å; V5-N311 HydrophobicContact CG1-CB 3.93Å; V5-I312 CarbonylContact C-O 3.42Å; V5-I312 WeakPolarHBondContact CA-O 3.21Å; V5-R313 HydrophobicContact CG1-CG 4.48Å; V5-R313 HydrophobicContact CG2-CG 4.31Å
6	L	96	Very high	91.3	Very high	3 Å²	3	73.1 Å²	73.1	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.3	175.7	-44.1	-177.8	0	0	0	108.8	L4 L25 W37 I312 I314	L4-L6 HydrophobicContact CD2-CD2 4.09Å; L4-L6 HydrophobicContact CG-CD2 4.14Å; L6-L25 HydrophobicContact CD1-CD2 3.85Å; L6-W37 HydrophobicContact CB-CD2 4.38Å; L6-W37 HydrophobicContact CB-CE3 4.11Å; L6-W37 HydrophobicContact CB-CH2 3.93Å; L6-W37 HydrophobicContact CB-CZ2 4.27Å; L6-W37 HydrophobicContact CB-CZ3 3.86Å; L6-W37 HydrophobicContact CD1-CB 4.15Å; L6-W37 HydrophobicContact CD1-CD2 3.87Å; L6-W37 HydrophobicContact CD1-CE3 4.08Å; L6-W37 HydrophobicContact CD1-CG 3.92Å; L6-W37 HydrophobicContact CD2-CE3 4.31Å; L6-W37 HydrophobicContact CG-CE3 4.4Å; L6-I312 HydrophobicContact CB-CB 4.1Å; L6-I312 HydrophobicContact CD1-CB 4.21Å; L6-I312 HydrophobicContact CD1-CD1 4.42Å; L6-I312 HydrophobicContact CD1-CG2 4.25Å; L6-I312 HydrophobicContact CG-CB 4.31Å; L6-I312 PolarHBondContact N-O 2.86Å; L6-I312 PolarHBondContact O-N 3.43Å; L6-I314 HydrophobicContact CD1-CD1 4.1Å; L6-I314 HydrophobicContact CD1-CG1 4.19Å; L6-I314 HydrophobicContact CD2-CG1 4.49Å; L6-I314 HydrophobicContact CG-CG1 4.22Å
7	R	93	Very high	91.7	Very high	178 Å²	178	73.6 Å²	73.6	67%	0.672	34%	0.344	S	S	*	.			trans	-118.7	98.8	-177.4	-57.7	-164.4	172.9	95.2	-2.6	109.8	V5 N311	V5-R7 HydrophobicContact CG1-CG 3.89Å; R7-N311 WeakPolarHBondContact CG-OD1 3.43Å
8	S	91.9	Very high	92.1	Very high	43 Å²	43	70.3 Å²	70.3	30%	0.301	33%	0.328	S	S	.	.			trans	-149.2	-25.5	169.6	-177.1	0	0	0	0	113.4	I35	S8-I35 WeakPolarHBondContact OG-CD1 3.44Å
9	H	93.5	Very high	92.3	Very high	16 Å²	16	66.9 Å²	66.9	7%	0.074	31%	0.313	C	S	.	.			trans	-74.7	133.4	172.1	-67.9	-75.4	0	0	0	109.1	I13 S27 S29 D31 T33	H9-I13 HydrophobicContact CB-CD1 3.66Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.41Å; H9-S27 PolarHBondContact NE2-OG 2.76Å; H9-S29 WeakPolarHBondContact ND1-CB 3.47Å; H9-S29 PolarHBondContact ND1-OG 2.74Å; H9-D31 WeakPolarHBondContact CA-OD2 3.24Å; H9-D31 IonicContact ND1-OD2 3.64Å; H9-T33 PolarHBondContact CE1-O 2.83Å
10	E	93.9	Very high	92.5	Very high	183 Å²	183	70 Å²	70	86%	0.855	32%	0.321	S	S	*	.	S	Bend	trans	-89.6	-14	176.5	-65.3	-174.7	171.9	0	0	111	D31	E10-D31 PolarHBondContact N-OD2 3.26Å
11	R	95.5	Very high	92.6	Very high	143 Å²	143	72.6 Å²	72.6	54%	0.54	33%	0.334	S	S	.	.	S	Bend	trans	-123.2	162.5	-178.9	-70	-176.1	174.9	-154.8	-3	112.4	I13 K30 D31 G310	R11-I13 PolarHBondContact O-N 3.06Å; R11-K30 HydrophobicContact CB-CB 3.92Å; R11-K30 VanDerWaalsContact CD-O 3.26Å; R11-K30 WeakPolarHBondContact CD-O 3.33Å; R11-D31 WeakPolarHBondContact CB-OD1 3.4Å; R11-D31 WeakPolarHBondContact CD-OD1 3.43Å; R11-D31 WeakPolarHBondContact CG-OD1 3.43Å; R11-D31 PolarHBondContact N-OD2 2.83Å; R11-D31 VanDerWaalsContact N-OD2 3.14Å; R11-D31 IonicContact NE-OD1 3.96Å; R11-G310 VanDerWaalsContact O-CA 3.28Å; R11-G310 WeakPolarHBondContact O-CA 3.44Å
12	P	95.8	Very high	94.4	Very high	22 Å²	22	64.8 Å²	64.8	14%	0.143	30%	0.295	C	S	.	.			trans	-44.1	130.6	178.3	-34.6	34.6	0	0	0	114.7	S29 K30 E308	P12-S29 CarbonylContact O-C 3.53Å; P12-S29 WeakPolarHBondContact O-CA 3.47Å; P12-S29 WeakPolarHBondContact O-CB 3.45Å; P12-K30 HydrophobicContact CB-CD 3.83Å; P12-K30 HydrophobicContact CB-CG 4.18Å; P12-K30 HydrophobicContact CG-CD 3.89Å; P12-K30 PolarHBondContact O-N 2.8Å; P12-E308 VanDerWaalsContact CB-CD 3.49Å; P12-E308 HydrophobicContact CB-CG 4.34Å; P12-E308 WeakPolarHBondContact CB-OE2 3.24Å; P12-E308 HydrophobicContact CG-CG 3.99Å; P12-E308 WeakPolarHBondContact CG-O 3.24Å; P12-E308 WeakPolarHBondContact CG-OE1 3.34Å
13	I	97.8	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.4	172.3	-55.1	-57.9	0	0	0	109	H9 R11 V16 C28 N292 G307 G310 I312	H9-I13 HydrophobicContact CB-CD1 3.66Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.41Å; R11-I13 PolarHBondContact O-N 3.06Å; I13-V16 HydrophobicContact CG2-CG1 3.74Å; I13-C28 WeakPolarHBondContact CG2-O 3.47Å; I13-N292 WeakPolarHBondContact O-CB 3.32Å; I13-N292 PolarHBondContact O-ND2 3.45Å; I13-G307 PolarHBondContact N-O 2.83Å; I13-G310 WeakPolarHBondContact CD1-O 3.42Å; I13-I312 HydrophobicContact CD1-CD1 4.3Å; I13-I312 HydrophobicContact CD1-CG1 3.92Å; I13-I312 HydrophobicContact CG1-CG1 3.95Å; I13-I312 HydrophobicContact CG2-CG1 4.48Å
14	T	97.4	Very high	95.9	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-41.1	179.4	47.2	0	0	0	0	111.2	C28 S29 K30 V54 V55 W56	T14-C28 PolarHBondContact N-O 3.47Å; T14-C28 PolarHBondContact OG1-O 3.46Å; T14-C28 PolarHBondContact OG1-SG 2.87Å; T14-S29 WeakPolarHBondContact OG1-CA 3.05Å; T14-S29 PolarHBondContact OG1-N 3.21Å; T14-K30 HydrophobicContact CG2-CG 3.95Å; T14-V54 HydrophobicContact CG2-CG1 4.24Å; T14-V55 WeakPolarHBondContact CB-O 3.21Å; T14-V55 PolarHBondContact OG1-O 2.83Å; T14-W56 HydrophobicContact CG2-CE3 3.95Å; T14-W56 HydrophobicContact CG2-CZ3 4.11Å
15	K	97.9	Very high	96.1	Very high	46 Å²	46	54.2 Å²	54.2	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.3	177.1	-156.7	75.6	176.3	177.5	0	111.8	S27 C28 I58 D196 S293	K15-S27 WeakPolarHBondContact O-CA 3.42Å; K15-C28 WeakPolarHBondContact CB-SG 3.43Å; K15-C28 PolarHBondContact N-O 3.23Å; K15-C28 PolarHBondContact O-N 3.03Å; K15-I58 HydrophobicContact CB-CG2 3.97Å; K15-I58 HydrophobicContact CG-CG2 4.15Å; K15-D196 IonicContact NZ-OD1 2.72Å; K15-D196 PolarHBondContact NZ-OD1 2.76Å; K15-D196 IonicContact NZ-OD2 3.54Å; K15-D196 PolarHBondContact NZ-OD2 2.88Å; K15-S293 WeakPolarHBondContact CA-OG 3.4Å
16	V	97.9	Very high	96.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.9	167.7	-63.7	0	0	0	0	109.9	I13 L25 F26 S293 A295 I312	I13-V16 HydrophobicContact CG2-CG1 3.74Å; V16-L25 HydrophobicContact CB-CD1 4.46Å; V16-F26 CarbonylContact C-O 3.55Å; V16-F26 WeakPolarHBondContact CA-O 3.46Å; V16-S293 WeakPolarHBondContact CG2-OG 3.11Å; V16-S293 PolarHBondContact N-OG 3.31Å; V16-A295 HydrophobicContact CG2-CB 4.13Å; V16-I312 HydrophobicContact CG1-CD1 4.07Å; V16-I312 HydrophobicContact CG1-CG1 4.04Å; V16-I312 HydrophobicContact CG1-CG2 4.18Å
17	K	97.7	Very high	96.4	Very high	82 Å²	82	52.5 Å²	52.5	36%	0.357	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	124.7	-177.2	-173.6	72.4	-179.2	-146.9	0	110.5	F26 I58 D59 V60	K17-F26 PolarHBondContact N-O 2.85Å; K17-F26 PolarHBondContact O-N 3.14Å; K17-I58 HydrophobicContact CB-CG2 4.48Å; K17-D59 WeakPolarHBondContact CE-OD1 3.31Å; K17-D59 IonicContact NZ-OD1 2.83Å; K17-D59 PolarHBondContact NZ-OD1 2.85Å; K17-D59 VanDerWaalsContact NZ-OD1 3.14Å; K17-V60 HydrophobicContact CG-CG1 4.33Å
18	Y	98.1	Very high	96.6	Very high	13 Å²	13	44 Å²	44	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	150.1	167	-77.4	-78.8	0	0	0	110.6	L25 P39 A295 F296 H297 A304	Y18-L25 HydrophobicContact CD1-CB 4.26Å; Y18-L25 HydrophobicContact CD1-CD1 3.87Å; Y18-L25 HydrophobicContact CD2-CD1 3.87Å; Y18-L25 HydrophobicContact CE1-CB 4.16Å; Y18-L25 HydrophobicContact CE1-CD1 3.87Å; Y18-L25 HydrophobicContact CE2-CD1 3.85Å; Y18-L25 HydrophobicContact CG-CD1 3.88Å; Y18-P39 HydrophobicContact CE1-CB 3.83Å; Y18-P39 HydrophobicContact CE1-CG 3.87Å; Y18-A295 HydrophobicContact CD2-CB 3.89Å; Y18-A295 HydrophobicContact CE2-CB 4.35Å; Y18-F296 WeakPolarHBondContact CD2-O 3.38Å; Y18-H297 HydrophobicContact CD2-CB 4.47Å; Y18-H297 HydrophobicContact CE1-CB 4.41Å; Y18-H297 AromaticContact CE1-CD2 3.76Å; Y18-H297 HydrophobicContact CE2-CB 4.08Å; Y18-A304 HydrophobicContact CE2-CB 3.55Å
19	N	97.1	Very high	96.9	Very high	7 Å²	7	42 Å²	42	4%	0.037	19%	0.189	C	C	.	.			trans	-73.5	177.1	159.9	77.1	-32.8	0	0	0	111.1	E21 G22 D23 L24 F26 V60 T64 P298	N19-E21 PolarHBondContact O-N 3.49Å; N19-G22 PolarHBondContact O-N 3.17Å; N19-G22 VanDerWaalsContact OD1-CA 3.3Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.14Å; N19-D23 PolarHBondContact ND2-OD1 3.39Å; N19-D23 PolarHBondContact OD1-N 3.06Å; N19-D23 PolarHBondContact OD1-OD1 3.46Å; N19-L24 HydrophobicContact CB-CB 4.41Å; N19-L24 PolarHBondContact N-O 3.25Å; N19-L24 PolarHBondContact OD1-N 3.01Å; N19-L24 VanDerWaalsContact OD1-N 3.11Å; N19-L24 PolarHBondContact OD1-O 3.45Å; N19-L24 VanDerWaalsContact OD1-O 3.13Å; N19-F26 HydrophobicContact CB-CE2 4.25Å; N19-V60 HydrophobicContact CB-CG1 4.22Å; N19-T64 HydrophobicContact CB-CG2 4.04Å; N19-T64 PolarHBondContact ND2-OG1 2.79Å; N19-P298 WeakPolarHBondContact O-CG 3.45Å
20	R	95.5	Very high	97	Very high	128 Å²	128	44.2 Å²	44.2	48%	0.483	20%	0.198	S	C	.	.	S	Bend	trans	-60.9	-42.9	-176.9	-179.3	-162.1	174.4	171.2	-7.5	113.2	G22 W62 P298	R20-G22 VanDerWaalsContact C-N 3.35Å; R20-W62 HydrophobicContact CB-CD2 4.37Å; R20-W62 VanDerWaalsContact CD-NE1 3.29Å; R20-W62 HydrophobicContact CG-CD2 4.17Å; R20-W62 HydrophobicContact CG-CH2 4.14Å; R20-W62 HydrophobicContact CG-CZ2 3.71Å; R20-W62 VanDerWaalsContact CZ-NE1 3.28Å; R20-P298 WeakPolarHBondContact O-CB 3.24Å; R20-P298 WeakPolarHBondContact O-CG 3.43Å
21	E	95.8	Very high	97	Very high	125 Å²	125	37 Å²	37	58%	0.584	17%	0.166	S	C	*	.	S	Bend	trans	-80.5	-22.3	-175.7	-56.5	-55.1	143.6	0	0	111.6	N19 D23	N19-E21 PolarHBondContact O-N 3.49Å; E21-D23 VanDerWaalsContact C-N 3.3Å
22	G	96.6	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	87.1	-2.5	176.5	0	0	0	0	0	114.4	N19 R20 L24 P39 H297	N19-G22 PolarHBondContact O-N 3.17Å; N19-G22 VanDerWaalsContact OD1-CA 3.3Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.14Å; R20-G22 VanDerWaalsContact C-N 3.35Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.41Å; G22-P39 VanDerWaalsContact O-CG 3.28Å; G22-P39 WeakPolarHBondContact O-CG 3.39Å; G22-H297 WeakPolarHBondContact CA-NE2 3.31Å; G22-H297 PolarHBondContact O-CD2 2.99Å; G22-H297 PolarHBondContact O-NE2 3.34Å
23	D	96.6	Very high	97.1	Very high	80 Å²	80	32.7 Å²	32.7	43%	0.428	16%	0.157	S	C	.	.	S	Bend	trans	-73.2	-16.6	176.1	64.1	-33.6	0	0	0	113.3	N19 E21 P39	N19-D23 PolarHBondContact ND2-OD1 3.39Å; N19-D23 PolarHBondContact OD1-N 3.06Å; N19-D23 PolarHBondContact OD1-OD1 3.46Å; E21-D23 VanDerWaalsContact C-N 3.3Å; D23-P39 WeakPolarHBondContact O-CD 3.44Å
24	L	97.8	Very high	97.1	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	16%	0.157	C	C	.	.			trans	-125.2	137	175.5	-63.4	179.9	0	0	0	112	N19 G22 F26 W37 F38 L45 T64 V81	N19-L24 HydrophobicContact CB-CB 4.41Å; N19-L24 PolarHBondContact N-O 3.25Å; N19-L24 PolarHBondContact OD1-N 3.01Å; N19-L24 VanDerWaalsContact OD1-N 3.11Å; N19-L24 PolarHBondContact OD1-O 3.45Å; N19-L24 VanDerWaalsContact OD1-O 3.13Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.41Å; L24-F26 HydrophobicContact CB-CE2 4.02Å; L24-F26 HydrophobicContact CB-CZ 4.31Å; L24-F26 HydrophobicContact CD1-CZ 4.24Å; L24-W37 WeakPolarHBondContact CA-O 3.29Å; L24-F38 HydrophobicContact CD2-CD1 3.84Å; L24-F38 HydrophobicContact CD2-CE1 3.68Å; L24-F38 HydrophobicContact CD2-CZ 4.45Å; L24-L45 HydrophobicContact CD1-CD2 4.07Å; L24-L45 HydrophobicContact CD2-CD2 3.67Å; L24-T64 HydrophobicContact CD1-CG2 3.81Å; L24-V81 HydrophobicContact CD1-CG1 4.46Å
25	L	98.1	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	170.7	-178.1	76.6	0	0	0	109.8	L6 V16 Y18 A36 W37 P39 A304 I312 I314	L6-L25 HydrophobicContact CD1-CD2 3.85Å; V16-L25 HydrophobicContact CB-CD1 4.46Å; Y18-L25 HydrophobicContact CD1-CB 4.26Å; Y18-L25 HydrophobicContact CD1-CD1 3.87Å; Y18-L25 HydrophobicContact CD2-CD1 3.87Å; Y18-L25 HydrophobicContact CE1-CB 4.16Å; Y18-L25 HydrophobicContact CE1-CD1 3.87Å; Y18-L25 HydrophobicContact CE2-CD1 3.85Å; Y18-L25 HydrophobicContact CG-CD1 3.88Å; L25-A36 CarbonylContact O-C 3.56Å; L25-A36 WeakPolarHBondContact O-CA 3.45Å; L25-W37 HydrophobicContact CB-CB 4.32Å; L25-W37 PolarHBondContact N-O 2.82Å; L25-W37 PolarHBondContact O-N 2.96Å; L25-P39 HydrophobicContact CB-CB 4.22Å; L25-A304 HydrophobicContact CD1-CB 4.2Å; L25-A304 HydrophobicContact CD2-CB 4.44Å; L25-I312 HydrophobicContact CD2-CG2 3.99Å; L25-I314 HydrophobicContact CD2-CD1 3.69Å
26	F	98.3	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.8	173.4	-61.1	-87.1	0	0	0	110.1	V16 K17 N19 L24 A36 Y48 I58 V60 L67 V81	V16-F26 CarbonylContact C-O 3.55Å; V16-F26 WeakPolarHBondContact CA-O 3.46Å; K17-F26 PolarHBondContact N-O 2.85Å; K17-F26 PolarHBondContact O-N 3.14Å; N19-F26 HydrophobicContact CB-CE2 4.25Å; L24-F26 HydrophobicContact CB-CE2 4.02Å; L24-F26 HydrophobicContact CB-CZ 4.31Å; L24-F26 HydrophobicContact CD1-CZ 4.24Å; F26-A36 HydrophobicContact CD1-CB 3.84Å; F26-A36 HydrophobicContact CE1-CB 3.68Å; F26-Y48 HydrophobicContact CD1-CE2 4.22Å; F26-Y48 HydrophobicContact CE1-CE2 4.19Å; F26-I58 HydrophobicContact CB-CD1 3.79Å; F26-I58 HydrophobicContact CB-CG1 4.24Å; F26-V60 HydrophobicContact CD2-CB 4.09Å; F26-V60 HydrophobicContact CD2-CG1 4.1Å; F26-V60 HydrophobicContact CD2-CG2 4.33Å; F26-V60 HydrophobicContact CE2-CB 3.97Å; F26-V60 HydrophobicContact CE2-CG1 4.12Å; F26-V60 HydrophobicContact CE2-CG2 3.71Å; F26-V60 HydrophobicContact CZ-CG2 4.04Å; F26-L67 HydrophobicContact CB-CD1 4.35Å; F26-L67 HydrophobicContact CD1-CD1 3.56Å; F26-L67 HydrophobicContact CD1-CD2 4.11Å; F26-L67 HydrophobicContact CD1-CG 4.48Å; F26-L67 HydrophobicContact CD2-CD1 4.4Å; F26-L67 HydrophobicContact CE1-CD1 3.9Å; F26-L67 HydrophobicContact CE1-CD2 4.37Å; F26-L67 HydrophobicContact CG-CD1 3.83Å; F26-L67 HydrophobicContact CZ-CD1 4.47Å; F26-V81 HydrophobicContact CE1-CG1 4.13Å; F26-V81 HydrophobicContact CZ-CG1 3.77Å; F26-V81 HydrophobicContact CZ-CG2 4.31Å
27	S	98.1	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.1	-179.6	62	0	0	0	0	111.4	H9 K15 P34 I35 W37	H9-S27 PolarHBondContact NE2-OG 2.76Å; K15-S27 WeakPolarHBondContact O-CA 3.42Å; S27-P34 CarbonylContact O-C 3.58Å; S27-P34 VanDerWaalsContact O-CA 3.25Å; S27-P34 WeakPolarHBondContact O-CA 3.28Å; S27-I35 PolarHBondContact N-O 2.93Å; S27-I35 PolarHBondContact O-N 3.08Å; S27-I35 PolarHBondContact OG-O 2.88Å; S27-I35 VanDerWaalsContact OG-O 3.13Å; S27-W37 PolarHBondContact OG-NE1 2.98Å
28	C	97.4	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	160.2	166.8	62	0	0	0	0	110.5	I13 T14 K15 P34 V55 I58	I13-C28 WeakPolarHBondContact CG2-O 3.47Å; T14-C28 PolarHBondContact N-O 3.47Å; T14-C28 PolarHBondContact OG1-O 3.46Å; T14-C28 PolarHBondContact OG1-SG 2.87Å; K15-C28 WeakPolarHBondContact CB-SG 3.43Å; K15-C28 PolarHBondContact N-O 3.23Å; K15-C28 PolarHBondContact O-N 3.03Å; C28-P34 HydrophobicContact CB-CB 4.43Å; C28-P34 HydrophobicContact CB-CG 4.4Å; C28-V55 HydrophobicContact CB-CB 3.81Å; C28-V55 HydrophobicContact CB-CG1 3.57Å; C28-I58 HydrophobicContact CB-CB 4.39Å; C28-I58 HydrophobicContact CB-CG2 4.41Å
29	S	97.4	Very high	96.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-177.7	-174.6	80.7	0	0	0	0	110.6	H9 P12 T14 D31 V55	H9-S29 WeakPolarHBondContact ND1-CB 3.47Å; H9-S29 PolarHBondContact ND1-OG 2.74Å; P12-S29 CarbonylContact O-C 3.53Å; P12-S29 WeakPolarHBondContact O-CA 3.47Å; P12-S29 WeakPolarHBondContact O-CB 3.45Å; T14-S29 WeakPolarHBondContact OG1-CA 3.05Å; T14-S29 PolarHBondContact OG1-N 3.21Å; S29-D31 PolarHBondContact O-N 2.83Å; S29-D31 WeakPolarHBondContact OG-CA 3.45Å; S29-D31 WeakPolarHBondContact OG-CB 3.42Å; S29-D31 VanDerWaalsContact OG-CG 3.28Å; S29-D31 PolarHBondContact OG-N 2.85Å; S29-D31 PolarHBondContact OG-OD2 3.32Å; S29-V55 PolarHBondContact O-N 3.05Å; S29-V55 VanDerWaalsContact O-N 3.13Å
30	K	97	Very high	96.7	Very high	62 Å²	62	35 Å²	35	27%	0.27	17%	0.172	S	C	.	.	S	Bend	trans	-69.6	-0.1	166.9	-63.4	178.5	-167.2	163.5	0	113.2	R11 P12 T14 V54 E308	R11-K30 HydrophobicContact CB-CB 3.92Å; R11-K30 VanDerWaalsContact CD-O 3.26Å; R11-K30 WeakPolarHBondContact CD-O 3.33Å; P12-K30 HydrophobicContact CB-CD 3.83Å; P12-K30 HydrophobicContact CB-CG 4.18Å; P12-K30 HydrophobicContact CG-CD 3.89Å; P12-K30 PolarHBondContact O-N 2.8Å; T14-K30 HydrophobicContact CG2-CG 3.95Å; K30-V54 HydrophobicContact CB-CG1 4.29Å; K30-V54 HydrophobicContact CB-CG2 3.97Å; K30-V54 HydrophobicContact CG-CG1 4.05Å; K30-V54 HydrophobicContact CG-CG2 4.26Å; K30-E308 IonicContact NZ-OE1 3.73Å; K30-E308 PolarHBondContact NZ-OE1 2.83Å; K30-E308 IonicContact NZ-OE2 3.35Å; K30-E308 PolarHBondContact NZ-OE2 2.88Å
31	D	94.2	Very high	96.7	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.171	17%	0.169	C	C	.	.	S	Bend	trans	-74.2	176.9	160	-57.5	-45.1	0	0	0	110.5	H9 E10 R11 S29 V55	H9-D31 WeakPolarHBondContact CA-OD2 3.24Å; H9-D31 IonicContact ND1-OD2 3.64Å; E10-D31 PolarHBondContact N-OD2 3.26Å; R11-D31 WeakPolarHBondContact CB-OD1 3.4Å; R11-D31 WeakPolarHBondContact CD-OD1 3.43Å; R11-D31 WeakPolarHBondContact CG-OD1 3.43Å; R11-D31 PolarHBondContact N-OD2 2.83Å; R11-D31 VanDerWaalsContact N-OD2 3.14Å; R11-D31 IonicContact NE-OD1 3.96Å; S29-D31 PolarHBondContact O-N 2.83Å; S29-D31 WeakPolarHBondContact OG-CA 3.45Å; S29-D31 WeakPolarHBondContact OG-CB 3.42Å; S29-D31 VanDerWaalsContact OG-CG 3.28Å; S29-D31 PolarHBondContact OG-N 2.85Å; S29-D31 PolarHBondContact OG-OD2 3.32Å; D31-V55 PolarHBondContact O-N 2.9Å
32	S	94.9	Very high	96.6	Very high	43 Å²	43	26.8 Å²	26.8	30%	0.301	15%	0.151	S	C	.	.	S	Bend	trans	-98.6	1.3	-179.5	62.9	0	0	0	0	114.4	H51 G53	S32-H51 WeakPolarHBondContact CB-O 3.43Å; S32-H51 WeakPolarHBondContact O-CB 3.44Å; S32-G53 VanDerWaalsContact CA-O 3.31Å; S32-G53 WeakPolarHBondContact CA-O 3.36Å
33	T	96.7	Very high	96.5	Very high	31 Å²	31	32.8 Å²	32.8	19%	0.19	18%	0.178	C	C	.	.			trans	-126.3	105.4	-170.6	-55.2	0	0	0	0	110.7	H9 F47 K49	H9-T33 PolarHBondContact CE1-O 2.83Å; T33-F47 HydrophobicContact CG2-CB 3.75Å; T33-F47 HydrophobicContact CG2-CD1 3.83Å; T33-F47 HydrophobicContact CG2-CG 4.28Å; T33-K49 HydrophobicContact CG2-CG 3.96Å
34	P	97.9	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.			trans	-63.6	147.8	166.4	-21.8	35.2	0	0	0	111.6	S27 C28 Y48 V55 I58 T69	S27-P34 CarbonylContact O-C 3.58Å; S27-P34 VanDerWaalsContact O-CA 3.25Å; S27-P34 WeakPolarHBondContact O-CA 3.28Å; C28-P34 HydrophobicContact CB-CB 4.43Å; C28-P34 HydrophobicContact CB-CG 4.4Å; P34-Y48 HydrophobicContact CB-CD2 4.3Å; P34-Y48 WeakPolarHBondContact CD-O 3.35Å; P34-Y48 PolarHBondContact O-N 3.45Å; P34-V55 HydrophobicContact CG-CB 4.34Å; P34-V55 HydrophobicContact CG-CG1 4.02Å; P34-V55 HydrophobicContact CG-CG2 4Å; P34-I58 HydrophobicContact CB-CD1 3.84Å; P34-T69 HydrophobicContact CB-CG2 4.38Å; P34-T69 HydrophobicContact CG-CG2 3.97Å
35	I	98	Very high	96.4	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.2	-174.6	-53.4	179.1	0	0	0	109.3	S8 S27 W37 I44 F47	S8-I35 WeakPolarHBondContact OG-CD1 3.44Å; S27-I35 PolarHBondContact N-O 2.93Å; S27-I35 PolarHBondContact O-N 3.08Å; S27-I35 PolarHBondContact OG-O 2.88Å; S27-I35 VanDerWaalsContact OG-O 3.13Å; I35-W37 HydrophobicContact CB-CZ2 4.2Å; I35-W37 HydrophobicContact CD1-CZ2 4.02Å; I35-W37 HydrophobicContact CG2-CD2 3.98Å; I35-W37 VanDerWaalsContact CG2-CE2 3.43Å; I35-W37 HydrophobicContact CG2-CG 4.35Å; I35-W37 HydrophobicContact CG2-CZ2 3.76Å; I35-I44 HydrophobicContact CG2-CG1 4.25Å; I35-I44 HydrophobicContact CG2-CG2 3.71Å; I35-F47 HydrophobicContact CD1-CD1 4.07Å; I35-F47 HydrophobicContact CD1-CE1 3.75Å; I35-F47 HydrophobicContact CG1-CD1 3.82Å; I35-F47 HydrophobicContact CG1-CE1 4.01Å
36	A	98.1	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.3	166.3	0	0	0	0	0	110.6	L25 F26 L45 G46 Y48	L25-A36 CarbonylContact O-C 3.56Å; L25-A36 WeakPolarHBondContact O-CA 3.45Å; F26-A36 HydrophobicContact CD1-CB 3.84Å; F26-A36 HydrophobicContact CE1-CB 3.68Å; A36-L45 HydrophobicContact CB-CB 4.04Å; A36-L45 HydrophobicContact CB-CD2 4.12Å; A36-L45 HydrophobicContact CB-CG 4.44Å; A36-L45 PolarHBondContact O-N 3.45Å; A36-G46 PolarHBondContact N-O 3.48Å; A36-G46 PolarHBondContact O-N 3.21Å; A36-Y48 HydrophobicContact CB-CE2 3.81Å
37	W	98	Very high	96.2	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150	-173.2	-54.3	87.1	0	0	0	111.1	L6 L24 L25 S27 I35 P39 E43 I44	L6-W37 HydrophobicContact CB-CD2 4.38Å; L6-W37 HydrophobicContact CB-CE3 4.11Å; L6-W37 HydrophobicContact CB-CH2 3.93Å; L6-W37 HydrophobicContact CB-CZ2 4.27Å; L6-W37 HydrophobicContact CB-CZ3 3.86Å; L6-W37 HydrophobicContact CD1-CB 4.15Å; L6-W37 HydrophobicContact CD1-CD2 3.87Å; L6-W37 HydrophobicContact CD1-CE3 4.08Å; L6-W37 HydrophobicContact CD1-CG 3.92Å; L6-W37 HydrophobicContact CD2-CE3 4.31Å; L6-W37 HydrophobicContact CG-CE3 4.4Å; L24-W37 WeakPolarHBondContact CA-O 3.29Å; L25-W37 HydrophobicContact CB-CB 4.32Å; L25-W37 PolarHBondContact N-O 2.82Å; L25-W37 PolarHBondContact O-N 2.96Å; S27-W37 PolarHBondContact OG-NE1 2.98Å; I35-W37 HydrophobicContact CB-CZ2 4.2Å; I35-W37 HydrophobicContact CD1-CZ2 4.02Å; I35-W37 HydrophobicContact CG2-CD2 3.98Å; I35-W37 VanDerWaalsContact CG2-CE2 3.43Å; I35-W37 HydrophobicContact CG2-CG 4.35Å; I35-W37 HydrophobicContact CG2-CZ2 3.76Å; W37-P39 WeakPolarHBondContact O-CD 3.4Å; W37-E43 WeakPolarHBondContact CA-O 3.32Å; W37-I44 HydrophobicContact CD2-CG1 4.24Å; W37-I44 HydrophobicContact CE3-CB 4.47Å; W37-I44 HydrophobicContact CE3-CG1 3.51Å; W37-I44 HydrophobicContact CH2-CD1 4Å; W37-I44 HydrophobicContact CH2-CG1 3.8Å; W37-I44 HydrophobicContact CZ2-CG1 4.44Å; W37-I44 HydrophobicContact CZ3-CD1 3.89Å; W37-I44 HydrophobicContact CZ3-CG1 3.26Å
38	F	96.8	Very high	96.2	Very high	77 Å²	77	40.8 Å²	40.8	34%	0.338	22%	0.221	S	C	.	.			trans	-84.7	110.2	156.6	-66.8	-66.2	0	0	0	108.2	L24 D40 S41 G42 E43 L45	L24-F38 HydrophobicContact CD2-CD1 3.84Å; L24-F38 HydrophobicContact CD2-CE1 3.68Å; L24-F38 HydrophobicContact CD2-CZ 4.45Å; F38-D40 VanDerWaalsContact C-N 3.26Å; F38-D40 PolarHBondContact O-N 2.88Å; F38-S41 WeakPolarHBondContact CB-OG 3.31Å; F38-G42 VanDerWaalsContact O-CA 3.24Å; F38-G42 WeakPolarHBondContact O-CA 3.3Å; F38-G42 PolarHBondContact O-N 2.86Å; F38-E43 HydrophobicContact CD2-CB 4.19Å; F38-E43 PolarHBondContact N-O 3.21Å; F38-L45 HydrophobicContact CD2-CB 4.49Å; F38-L45 HydrophobicContact CE2-CB 4.11Å; F38-L45 HydrophobicContact CE2-CD1 3.89Å; F38-L45 HydrophobicContact CZ-CB 4.45Å; F38-L45 HydrophobicContact CZ-CD1 3.76Å
39	P	95	Very high	96.1	Very high	2 Å²	2	48 Å²	48	1%	0.013	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.3	-172	28.2	-32	0	0	0	113.2	L4 Y18 G22 D23 L25 W37	L4-P39 WeakPolarHBondContact CD2-O 3.44Å; Y18-P39 HydrophobicContact CE1-CB 3.83Å; Y18-P39 HydrophobicContact CE1-CG 3.87Å; G22-P39 VanDerWaalsContact O-CG 3.28Å; G22-P39 WeakPolarHBondContact O-CG 3.39Å; D23-P39 WeakPolarHBondContact O-CD 3.44Å; L25-P39 HydrophobicContact CB-CB 4.22Å; W37-P39 WeakPolarHBondContact O-CD 3.4Å
40	D	93.1	Very high	95.9	Very high	130 Å²	130	49.3 Å²	49.3	70%	0.695	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-41.4	-179	-63.8	-21.9	0	0	0	112.7	F38	F38-D40 VanDerWaalsContact C-N 3.26Å; F38-D40 PolarHBondContact O-N 2.88Å
41	S	94.1	Very high	95.9	Very high	62 Å²	62	46.9 Å²	46.9	43%	0.434	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-24.8	179.7	62.8	0	0	0	0	112.9	F38 E43	F38-S41 WeakPolarHBondContact CB-OG 3.31Å; S41-E43 VanDerWaalsContact C-N 3.26Å; S41-E43 WeakPolarHBondContact OG-CB 3.42Å; S41-E43 WeakPolarHBondContact OG-CG 3.24Å; S41-E43 PolarHBondContact OG-N 2.96Å
42	G	93.8	Very high	96	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	28%	0.283	C	S	.	.			trans	76.7	11.8	-171.1	0	0	0	0	0	114.2	F38	F38-G42 VanDerWaalsContact O-CA 3.24Å; F38-G42 WeakPolarHBondContact O-CA 3.3Å; F38-G42 PolarHBondContact O-N 2.86Å
43	E	95.8	Very high	96	Very high	126 Å²	126	51.1 Å²	51.1	59%	0.589	28%	0.28	S	S	*	.			trans	-72	146.3	175.5	-68.7	177.7	165.7	0	0	111.4	W37 F38 S41	W37-E43 WeakPolarHBondContact CA-O 3.32Å; F38-E43 HydrophobicContact CD2-CB 4.19Å; F38-E43 PolarHBondContact N-O 3.21Å; S41-E43 VanDerWaalsContact C-N 3.26Å; S41-E43 WeakPolarHBondContact OG-CB 3.42Å; S41-E43 WeakPolarHBondContact OG-CG 3.24Å; S41-E43 PolarHBondContact OG-N 2.96Å
44	I	96.7	Very high	96	Very high	66 Å²	66	51.1 Å²	51.1	34%	0.338	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.1	176	-64	170.2	0	0	0	108.3	I35 W37 F47	I35-I44 HydrophobicContact CG2-CG1 4.25Å; I35-I44 HydrophobicContact CG2-CG2 3.71Å; W37-I44 HydrophobicContact CD2-CG1 4.24Å; W37-I44 HydrophobicContact CE3-CB 4.47Å; W37-I44 HydrophobicContact CE3-CG1 3.51Å; W37-I44 HydrophobicContact CH2-CD1 4Å; W37-I44 HydrophobicContact CH2-CG1 3.8Å; W37-I44 HydrophobicContact CZ2-CG1 4.44Å; W37-I44 HydrophobicContact CZ3-CD1 3.89Å; W37-I44 HydrophobicContact CZ3-CG1 3.26Å; I44-F47 HydrophobicContact CD1-CE1 4.43Å; I44-F47 HydrophobicContact CD1-CZ 3.84Å; I44-F47 HydrophobicContact CG2-CD2 4.33Å; I44-F47 HydrophobicContact CG2-CE1 4.46Å; I44-F47 HydrophobicContact CG2-CE2 3.82Å; I44-F47 HydrophobicContact CG2-CZ 3.9Å
45	L	95.8	Very high	96	Very high	76 Å²	76	51.2 Å²	51.2	40%	0.398	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-45.7	171.1	174.3	63.9	0	0	0	110.8	L24 A36 F38	L24-L45 HydrophobicContact CD1-CD2 4.07Å; L24-L45 HydrophobicContact CD2-CD2 3.67Å; A36-L45 HydrophobicContact CB-CB 4.04Å; A36-L45 HydrophobicContact CB-CD2 4.12Å; A36-L45 HydrophobicContact CB-CG 4.44Å; A36-L45 PolarHBondContact O-N 3.45Å; F38-L45 HydrophobicContact CD2-CB 4.49Å; F38-L45 HydrophobicContact CE2-CB 4.11Å; F38-L45 HydrophobicContact CE2-CD1 3.89Å; F38-L45 HydrophobicContact CZ-CB 4.45Å; F38-L45 HydrophobicContact CZ-CD1 3.76Å
46	G	95.4	Very high	95.9	Very high	22 Å²	22	55.1 Å²	55.1	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	169.4	-175.2	0	0	0	0	0	115.3	A36	A36-G46 PolarHBondContact N-O 3.48Å; A36-G46 PolarHBondContact O-N 3.21Å
47	F	96.7	Very high	95.9	Very high	96 Å²	96	55.5 Å²	55.5	42%	0.421	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	-178.2	-62.7	-88.2	0	0	0	110.5	T33 I35 I44 K49	T33-F47 HydrophobicContact CG2-CB 3.75Å; T33-F47 HydrophobicContact CG2-CD1 3.83Å; T33-F47 HydrophobicContact CG2-CG 4.28Å; I35-F47 HydrophobicContact CD1-CD1 4.07Å; I35-F47 HydrophobicContact CD1-CE1 3.75Å; I35-F47 HydrophobicContact CG1-CD1 3.82Å; I35-F47 HydrophobicContact CG1-CE1 4.01Å; I44-F47 HydrophobicContact CD1-CE1 4.43Å; I44-F47 HydrophobicContact CD1-CZ 3.84Å; I44-F47 HydrophobicContact CG2-CD2 4.33Å; I44-F47 HydrophobicContact CG2-CE1 4.46Å; I44-F47 HydrophobicContact CG2-CE2 3.82Å; I44-F47 HydrophobicContact CG2-CZ 3.9Å; F47-K49 HydrophobicContact CB-CG 4.3Å; F47-K49 PolarHBondContact O-N 2.91Å
48	Y	97.4	Very high	95.9	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	30%	0.298	C	S	.	.			trans	-97.2	83.9	178.8	-60.1	-84.6	0	0	0	110.4	F26 P34 A36 L67 W79 V81	F26-Y48 HydrophobicContact CD1-CE2 4.22Å; F26-Y48 HydrophobicContact CE1-CE2 4.19Å; P34-Y48 HydrophobicContact CB-CD2 4.3Å; P34-Y48 WeakPolarHBondContact CD-O 3.35Å; P34-Y48 PolarHBondContact O-N 3.45Å; A36-Y48 HydrophobicContact CB-CE2 3.81Å; Y48-L67 HydrophobicContact CD1-CD2 3.92Å; Y48-L67 HydrophobicContact CD2-CD2 3.72Å; Y48-L67 HydrophobicContact CE1-CD2 3.88Å; Y48-L67 HydrophobicContact CE2-CD2 3.68Å; Y48-L67 HydrophobicContact CG-CD2 3.85Å; Y48-W79 HydrophobicContact CD1-CB 3.92Å; Y48-W79 AromaticContact CD1-CD2 3.95Å; Y48-W79 HydrophobicContact CD1-CD2 3.95Å; Y48-W79 AromaticContact CD1-CE3 4Å; Y48-W79 HydrophobicContact CD1-CE3 4Å; Y48-W79 AromaticContact CD1-CG 3.91Å; Y48-W79 HydrophobicContact CD1-CG 3.91Å; Y48-W79 HydrophobicContact CE1-CB 4.21Å; Y48-W79 HydrophobicContact CG-CD2 4.41Å; Y48-V81 PolarHBondContact OH-O 3.22Å
49	K	96.1	Very high	96	Very high	151 Å²	151	52.7 Å²	52.7	66%	0.657	29%	0.286	S	S	*	.			trans	-86.4	123	-174.6	-63.9	-179	-178.8	179.4	0	111.4	T33 F47	T33-K49 HydrophobicContact CG2-CG 3.96Å; F47-K49 HydrophobicContact CB-CG 4.3Å; F47-K49 PolarHBondContact O-N 2.91Å
50	G	92.9	Very high	96.1	Very high	29 Å²	29	53.2 Å²	53.2	30%	0.299	29%	0.289	S	S	.	.			trans	173.2	-27.2	173.7	0	0	0	0	0	114.2	F77	G50-F77 WeakPolarHBondContact O-CZ 3.48Å
51	H	96.4	Very high	96.2	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.046	26%	0.257	C	S	.	.			trans	-67	150.1	168.9	-76.2	-75.8	0	0	0	111.4	S32 V55 T69 G71 D73 R75 F77	S32-H51 WeakPolarHBondContact CB-O 3.43Å; S32-H51 WeakPolarHBondContact O-CB 3.44Å; H51-V55 HydrophobicContact CB-CG2 3.89Å; H51-V55 VanDerWaalsContact CD2-CG2 3.47Å; H51-V55 WeakPolarHBondContact CD2-CG2 3.23Å; H51-T69 WeakPolarHBondContact NE2-CB 3.28Å; H51-T69 PolarHBondContact NE2-OG1 2.88Å; H51-G71 PolarHBondContact CE1-N 3.04Å; H51-D73 WeakPolarHBondContact CA-OD2 3.18Å; H51-D73 WeakPolarHBondContact CB-OD2 3.09Å; H51-D73 IonicContact CE1-OD1 3.49Å; H51-D73 IonicContact CG-OD2 3.74Å; H51-D73 IonicContact ND1-OD1 2.74Å; H51-D73 PolarHBondContact ND1-OD1 3.49Å; H51-D73 IonicContact ND1-OD2 2.68Å; H51-D73 PolarHBondContact ND1-OD2 2.77Å; H51-D73 VanDerWaalsContact ND1-OD2 3.09Å; H51-R75 PolarHBondContact CE1-O 3.03Å; H51-F77 HydrophobicContact CB-CE2 4.47Å; H51-F77 AromaticContact CD2-CD2 3.73Å; H51-F77 AromaticContact CE1-CD2 3.47Å; H51-F77 VanDerWaalsContact CE1-CD2 3.47Å; H51-F77 WeakPolarHBondContact CE1-CD2 3.36Å; H51-F77 AromaticContact CE1-CE2 3.88Å; H51-F77 AromaticContact CG-CD2 3.86Å; H51-F77 AromaticContact CG-CE2 3.81Å; H51-F77 AromaticContact ND1-CD2 3.7Å; H51-F77 AromaticContact ND1-CE2 3.62Å; H51-F77 AromaticContact NE2-CD2 3.5Å; H51-F77 WeakPolarHBondContact NE2-CD2 3.3Å
52	N	95.8	Very high	96.2	Very high	142 Å²	142	49.9 Å²	49.9	76%	0.759	26%	0.258	S	S	*	.	S	Bend	trans	-120.4	24	176.9	-164	34.1	0	0	0	112.4	D73	N52-D73 PolarHBondContact N-OD2 3.49Å
53	G	94.8	Very high	96.2	Very high	22 Å²	22	52.9 Å²	52.9	23%	0.227	27%	0.269	C	S	.	.	S	Bend	trans	-167.3	-173.1	-178.9	0	0	0	0	0	111	S32 V55	S32-G53 VanDerWaalsContact CA-O 3.31Å; S32-G53 WeakPolarHBondContact CA-O 3.36Å; G53-V55 PolarHBondContact O-N 3.01Å
54	V	97	Very high	96.2	Very high	32 Å²	32	48.2 Å²	48.2	19%	0.194	25%	0.25	C	C	.	.			trans	-53.7	134.1	179.5	173.4	0	0	0	0	110.8	T14 K30 W56 G71 G72	T14-V54 HydrophobicContact CG2-CG1 4.24Å; K30-V54 HydrophobicContact CB-CG1 4.29Å; K30-V54 HydrophobicContact CB-CG2 3.97Å; K30-V54 HydrophobicContact CG-CG1 4.05Å; K30-V54 HydrophobicContact CG-CG2 4.26Å; V54-W56 HydrophobicContact CB-CZ2 4.06Å; V54-W56 HydrophobicContact CG1-CD2 3.6Å; V54-W56 HydrophobicContact CG1-CE3 3.88Å; V54-W56 HydrophobicContact CG1-CG 4.2Å; V54-W56 HydrophobicContact CG1-CH2 3.82Å; V54-W56 HydrophobicContact CG1-CZ2 3.52Å; V54-W56 HydrophobicContact CG1-CZ3 3.98Å; V54-W56 HydrophobicContact CG2-CZ2 4.41Å; V54-G71 CarbonylContact O-C 3.54Å; V54-G71 WeakPolarHBondContact O-CA 3.45Å; V54-G72 PolarHBondContact O-N 2.59Å
55	V	98.1	Very high	96.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.9	170.2	-176.4	0	0	0	0	108.6	T14 C28 S29 D31 P34 H51 G53	T14-V55 WeakPolarHBondContact CB-O 3.21Å; T14-V55 PolarHBondContact OG1-O 2.83Å; C28-V55 HydrophobicContact CB-CB 3.81Å; C28-V55 HydrophobicContact CB-CG1 3.57Å; S29-V55 PolarHBondContact O-N 3.05Å; S29-V55 VanDerWaalsContact O-N 3.13Å; D31-V55 PolarHBondContact O-N 2.9Å; P34-V55 HydrophobicContact CG-CB 4.34Å; P34-V55 HydrophobicContact CG-CG1 4.02Å; P34-V55 HydrophobicContact CG-CG2 4Å; H51-V55 HydrophobicContact CB-CG2 3.89Å; H51-V55 VanDerWaalsContact CD2-CG2 3.47Å; H51-V55 WeakPolarHBondContact CD2-CG2 3.23Å; G53-V55 PolarHBondContact O-N 3.01Å
56	W	97.2	Very high	96.1	Very high	87 Å²	87	48.4 Å²	48.4	33%	0.33	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-34.2	-173.6	-66.9	108	0	0	0	113.2	T14 V54 G70 V96 R97	T14-W56 HydrophobicContact CG2-CE3 3.95Å; T14-W56 HydrophobicContact CG2-CZ3 4.11Å; V54-W56 HydrophobicContact CB-CZ2 4.06Å; V54-W56 HydrophobicContact CG1-CD2 3.6Å; V54-W56 HydrophobicContact CG1-CE3 3.88Å; V54-W56 HydrophobicContact CG1-CG 4.2Å; V54-W56 HydrophobicContact CG1-CH2 3.82Å; V54-W56 HydrophobicContact CG1-CZ2 3.52Å; V54-W56 HydrophobicContact CG1-CZ3 3.98Å; V54-W56 HydrophobicContact CG2-CZ2 4.41Å; W56-G70 PolarHBondContact N-O 3.35Å; W56-V96 VanDerWaalsContact CD1-O 3.29Å; W56-R97 VanDerWaalsContact CD1-NH1 3.32Å
57	S	97.4	Very high	96.1	Very high	8 Å²	8	47.4 Å²	47.4	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.9	-172.5	-174.2	0	0	0	0	110.8	T69 G70 R97 V99	S57-T69 WeakPolarHBondContact O-CA 3.46Å; S57-G70 PolarHBondContact N-O 2.89Å; S57-G70 PolarHBondContact O-N 2.74Å; S57-R97 WeakPolarHBondContact CB-O 3.47Å; S57-V99 WeakPolarHBondContact OG-CG2 3.44Å; S57-V99 PolarHBondContact OG-N 2.63Å; S57-V99 VanDerWaalsContact OG-N 3.17Å; S57-V99 PolarHBondContact OG-O 3.34Å
58	I	97.9	Very high	96.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.6	178.5	-172.5	158.3	0	0	0	108.2	K15 K17 F26 C28 P34 L67 V68 T69	K15-I58 HydrophobicContact CB-CG2 3.97Å; K15-I58 HydrophobicContact CG-CG2 4.15Å; K17-I58 HydrophobicContact CB-CG2 4.48Å; F26-I58 HydrophobicContact CB-CD1 3.79Å; F26-I58 HydrophobicContact CB-CG1 4.24Å; C28-I58 HydrophobicContact CB-CB 4.39Å; C28-I58 HydrophobicContact CB-CG2 4.41Å; P34-I58 HydrophobicContact CB-CD1 3.84Å; I58-L67 HydrophobicContact CD1-CD1 3.93Å; I58-L67 HydrophobicContact CD1-CD2 4.02Å; I58-L67 HydrophobicContact CD1-CG 4.26Å; I58-L67 HydrophobicContact CG1-CD1 3.67Å; I58-L67 HydrophobicContact CG1-CD2 4.44Å; I58-L67 HydrophobicContact CG1-CG 4.14Å; I58-V68 WeakPolarHBondContact CA-O 3.17Å; I58-T69 HydrophobicContact CB-CG2 4.41Å; I58-T69 HydrophobicContact CD1-CG2 3.96Å; I58-T69 HydrophobicContact CG1-CG2 3.91Å
59	D	97.7	Very high	96.2	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.7	172.6	-161.5	36	0	0	0	110.2	K17 L67 V68 G100 I101	K17-D59 WeakPolarHBondContact CE-OD1 3.31Å; K17-D59 IonicContact NZ-OD1 2.83Å; K17-D59 PolarHBondContact NZ-OD1 2.85Å; K17-D59 VanDerWaalsContact NZ-OD1 3.14Å; D59-L67 WeakPolarHBondContact O-CA 3.28Å; D59-L67 WeakPolarHBondContact O-CD1 3.37Å; D59-V68 HydrophobicContact CB-CG1 3.96Å; D59-V68 PolarHBondContact N-O 3.06Å; D59-V68 PolarHBondContact O-N 2.8Å; D59-G100 VanDerWaalsContact OD2-CA 3.29Å; D59-G100 WeakPolarHBondContact OD2-CA 3.14Å; D59-I101 PolarHBondContact OD2-N 2.93Å
60	V	97.2	Very high	96.2	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	-174.6	62.1	0	0	0	0	109.6	K17 N19 F26 T64 L66 L67 V81	K17-V60 HydrophobicContact CG-CG1 4.33Å; N19-V60 HydrophobicContact CB-CG1 4.22Å; F26-V60 HydrophobicContact CD2-CB 4.09Å; F26-V60 HydrophobicContact CD2-CG1 4.1Å; F26-V60 HydrophobicContact CD2-CG2 4.33Å; F26-V60 HydrophobicContact CE2-CB 3.97Å; F26-V60 HydrophobicContact CE2-CG1 4.12Å; F26-V60 HydrophobicContact CE2-CG2 3.71Å; F26-V60 HydrophobicContact CZ-CG2 4.04Å; V60-T64 HydrophobicContact CG2-CG2 4.33Å; V60-L66 CarbonylContact C-O 3.51Å; V60-L66 WeakPolarHBondContact CA-O 3.41Å; V60-L66 WeakPolarHBondContact CG2-O 3.28Å; V60-L67 HydrophobicContact CB-CD1 4.01Å; V60-L67 HydrophobicContact CG2-CD1 4.45Å; V60-V81 HydrophobicContact CG2-CG2 4.21Å
61	S	95.6	Very high	96.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	17%	0.169	C	C	.	.			trans	-65.3	153.5	176.2	65	0	0	0	0	111.1	D63 T64 K65 L66	S61-D63 WeakPolarHBondContact CB-OD1 3.25Å; S61-D63 PolarHBondContact O-N 2.85Å; S61-D63 PolarHBondContact OG-OD1 2.84Å; S61-T64 WeakPolarHBondContact O-CA 3.3Å; S61-T64 PolarHBondContact O-N 3.41Å; S61-K65 PolarHBondContact OG-N 2.98Å; S61-L66 PolarHBondContact N-O 3.36Å; S61-L66 PolarHBondContact OG-N 2.95Å; S61-L66 PolarHBondContact OG-O 2.88Å
62	W	94.5	Very high	96.3	Very high	121 Å²	121	35.2 Å²	35.2	46%	0.458	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.9	-178.1	-165.1	-102.8	0	0	0	113.8	R20 T64 F103	R20-W62 HydrophobicContact CB-CD2 4.37Å; R20-W62 VanDerWaalsContact CD-NE1 3.29Å; R20-W62 HydrophobicContact CG-CD2 4.17Å; R20-W62 HydrophobicContact CG-CH2 4.14Å; R20-W62 HydrophobicContact CG-CZ2 3.71Å; R20-W62 VanDerWaalsContact CZ-NE1 3.28Å; W62-T64 VanDerWaalsContact C-N 3.33Å; W62-F103 HydrophobicContact CE3-CD1 4.02Å; W62-F103 HydrophobicContact CE3-CE1 4.28Å; W62-F103 HydrophobicContact CH2-CE1 4.49Å; W62-F103 HydrophobicContact CZ3-CD1 4.08Å; W62-F103 AromaticContact CZ3-CE1 3.92Å; W62-F103 HydrophobicContact CZ3-CE1 3.92Å
63	D	94.4	Very high	96.3	Very high	81 Å²	81	30 Å²	30	43%	0.433	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.5	175.3	73.9	-22.2	0	0	0	113.7	S61 K65	S61-D63 WeakPolarHBondContact CB-OD1 3.25Å; S61-D63 PolarHBondContact O-N 2.85Å; S61-D63 PolarHBondContact OG-OD1 2.84Å; D63-K65 PolarHBondContact O-N 3.4Å; D63-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 PolarHBondContact OD1-N 3.21Å; D63-K65 WeakPolarHBondContact OD2-CD 3.42Å; D63-K65 VanDerWaalsContact OD2-CG 3.31Å; D63-K65 WeakPolarHBondContact OD2-CG 3.36Å; D63-K65 IonicContact OD2-NZ 3.51Å; D63-K65 PolarHBondContact OD2-NZ 3.29Å
64	T	96.1	Very high	96.3	Very high	29 Å²	29	32.1 Å²	32.1	18%	0.178	16%	0.161	C	C	.	.	S	Bend	trans	57.6	23.5	178.1	-46.1	0	0	0	0	114	N19 L24 V60 S61 W62 V81	N19-T64 HydrophobicContact CB-CG2 4.04Å; N19-T64 PolarHBondContact ND2-OG1 2.79Å; L24-T64 HydrophobicContact CD1-CG2 3.81Å; V60-T64 HydrophobicContact CG2-CG2 4.33Å; S61-T64 WeakPolarHBondContact O-CA 3.3Å; S61-T64 PolarHBondContact O-N 3.41Å; W62-T64 VanDerWaalsContact C-N 3.33Å; T64-V81 HydrophobicContact CG2-CG1 4.13Å; T64-V81 VanDerWaalsContact O-CB 3.22Å; T64-V81 WeakPolarHBondContact O-CB 3.29Å; T64-V81 WeakPolarHBondContact O-CG1 3.32Å; T64-V81 WeakPolarHBondContact O-CG2 3.38Å
65	K	94.4	Very high	96.2	Very high	127 Å²	127	34.8 Å²	34.8	55%	0.552	17%	0.168	S	C	*	.	S	Bend	trans	-91.3	-31.4	176.2	-64	-163.3	-166	101.3	0	113.3	S61 D63 N80 V81	S61-K65 PolarHBondContact OG-N 2.98Å; D63-K65 PolarHBondContact O-N 3.4Å; D63-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 PolarHBondContact OD1-N 3.21Å; D63-K65 WeakPolarHBondContact OD2-CD 3.42Å; D63-K65 VanDerWaalsContact OD2-CG 3.31Å; D63-K65 WeakPolarHBondContact OD2-CG 3.36Å; D63-K65 IonicContact OD2-NZ 3.51Å; D63-K65 PolarHBondContact OD2-NZ 3.29Å; K65-N80 PolarHBondContact O-OD1 3.17Å; K65-V81 PolarHBondContact O-N 3.23Å
66	L	95.1	Very high	96	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.099	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141	-172.4	-52.4	-178.6	0	0	0	111.1	V60 S61 L78 W79 L87 I101 I127	V60-L66 CarbonylContact C-O 3.51Å; V60-L66 WeakPolarHBondContact CA-O 3.41Å; V60-L66 WeakPolarHBondContact CG2-O 3.28Å; S61-L66 PolarHBondContact N-O 3.36Å; S61-L66 PolarHBondContact OG-N 2.95Å; S61-L66 PolarHBondContact OG-O 2.88Å; L66-L78 HydrophobicContact CB-CD1 4.24Å; L66-W79 WeakPolarHBondContact CA-O 2.98Å; L66-L87 HydrophobicContact CD2-CD1 3.71Å; L66-I101 HydrophobicContact CB-CD1 4.24Å; L66-I127 HydrophobicContact CD1-CD1 3.38Å
67	L	96.5	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.5	173.2	-172.6	75.9	0	0	0	107.9	F26 Y48 I58 D59 V60 T69 L78 W79 V81	F26-L67 HydrophobicContact CB-CD1 4.35Å; F26-L67 HydrophobicContact CD1-CD1 3.56Å; F26-L67 HydrophobicContact CD1-CD2 4.11Å; F26-L67 HydrophobicContact CD1-CG 4.48Å; F26-L67 HydrophobicContact CD2-CD1 4.4Å; F26-L67 HydrophobicContact CE1-CD1 3.9Å; F26-L67 HydrophobicContact CE1-CD2 4.37Å; F26-L67 HydrophobicContact CG-CD1 3.83Å; F26-L67 HydrophobicContact CZ-CD1 4.47Å; Y48-L67 HydrophobicContact CD1-CD2 3.92Å; Y48-L67 HydrophobicContact CD2-CD2 3.72Å; Y48-L67 HydrophobicContact CE1-CD2 3.88Å; Y48-L67 HydrophobicContact CE2-CD2 3.68Å; Y48-L67 HydrophobicContact CG-CD2 3.85Å; I58-L67 HydrophobicContact CD1-CD1 3.93Å; I58-L67 HydrophobicContact CD1-CD2 4.02Å; I58-L67 HydrophobicContact CD1-CG 4.26Å; I58-L67 HydrophobicContact CG1-CD1 3.67Å; I58-L67 HydrophobicContact CG1-CD2 4.44Å; I58-L67 HydrophobicContact CG1-CG 4.14Å; D59-L67 WeakPolarHBondContact O-CA 3.28Å; D59-L67 WeakPolarHBondContact O-CD1 3.37Å; V60-L67 HydrophobicContact CB-CD1 4.01Å; V60-L67 HydrophobicContact CG2-CD1 4.45Å; L67-T69 HydrophobicContact CD2-CG2 4.14Å; L67-T69 HydrophobicContact CG-CG2 4.24Å; L67-L78 CarbonylContact O-C 3.58Å; L67-L78 WeakPolarHBondContact O-CA 3.26Å; L67-W79 HydrophobicContact CB-CB 4.12Å; L67-W79 HydrophobicContact CB-CG 4.48Å; L67-W79 HydrophobicContact CD2-CG 4.46Å; L67-W79 PolarHBondContact N-O 2.86Å; L67-W79 VanDerWaalsContact N-O 3.12Å; L67-W79 VanDerWaalsContact O-CD1 3.3Å; L67-W79 PolarHBondContact O-N 2.88Å; L67-V81 HydrophobicContact CB-CG2 3.93Å
68	V	96.7	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.7	171.4	69.7	0	0	0	0	109.4	I58 D59 C76 F77 L78 V99 I101 F108	I58-V68 WeakPolarHBondContact CA-O 3.17Å; D59-V68 HydrophobicContact CB-CG1 3.96Å; D59-V68 PolarHBondContact N-O 3.06Å; D59-V68 PolarHBondContact O-N 2.8Å; V68-C76 VanDerWaalsContact CG2-SG 3.52Å; V68-F77 WeakPolarHBondContact CA-O 3.26Å; V68-L78 HydrophobicContact CB-CD1 4.28Å; V68-V99 HydrophobicContact CG1-CB 3.9Å; V68-V99 HydrophobicContact CG1-CG2 3.74Å; V68-V99 HydrophobicContact CG2-CB 4.11Å; V68-V99 HydrophobicContact CG2-CG1 4.33Å; V68-V99 HydrophobicContact CG2-CG2 4.34Å; V68-I101 HydrophobicContact CB-CD1 4.01Å; V68-I101 HydrophobicContact CB-CG1 4.03Å; V68-I101 HydrophobicContact CG1-CD1 3.83Å; V68-I101 HydrophobicContact CG1-CG1 3.49Å; V68-I101 VanDerWaalsContact CG1-CG1 3.49Å; V68-F108 HydrophobicContact CG2-CD2 4.01Å; V68-F108 HydrophobicContact CG2-CE2 4.31Å
69	T	97.9	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	179.3	62	0	0	0	0	110.2	P34 H51 S57 I58 L67 C76 F77 W79	P34-T69 HydrophobicContact CB-CG2 4.38Å; P34-T69 HydrophobicContact CG-CG2 3.97Å; H51-T69 WeakPolarHBondContact NE2-CB 3.28Å; H51-T69 PolarHBondContact NE2-OG1 2.88Å; S57-T69 WeakPolarHBondContact O-CA 3.46Å; I58-T69 HydrophobicContact CB-CG2 4.41Å; I58-T69 HydrophobicContact CD1-CG2 3.96Å; I58-T69 HydrophobicContact CG1-CG2 3.91Å; L67-T69 HydrophobicContact CD2-CG2 4.14Å; L67-T69 HydrophobicContact CG-CG2 4.24Å; T69-C76 CarbonylContact O-C 3.21Å; T69-C76 WeakPolarHBondContact O-CA 3.48Å; T69-C76 PolarHBondContact O-SG 3.3Å; T69-C76 VanDerWaalsContact O-SG 3.38Å; T69-F77 PolarHBondContact N-O 2.93Å; T69-F77 PolarHBondContact O-N 2.84Å; T69-W79 PolarHBondContact OG1-NE1 3.39Å
70	G	96.8	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.3	179.2	0	0	0	0	0	111.4	W56 S57	W56-G70 PolarHBondContact N-O 3.35Å; S57-G70 PolarHBondContact N-O 2.89Å; S57-G70 PolarHBondContact O-N 2.74Å
71	G	96.4	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	162	-173.1	0	0	0	0	0	115.6	H51 V54 D73 N74 R75 V96	H51-G71 PolarHBondContact CE1-N 3.04Å; V54-G71 CarbonylContact O-C 3.54Å; V54-G71 WeakPolarHBondContact O-CA 3.45Å; G71-D73 WeakPolarHBondContact CA-OD1 3.02Å; G71-D73 PolarHBondContact O-N 3.08Å; G71-N74 PolarHBondContact O-N 3.3Å; G71-R75 PolarHBondContact N-O 3.35Å; G71-V96 PolarHBondContact O-N 3.02Å
72	G	95.8	Very high	95.3	Very high	33 Å²	33	39.3 Å²	39.3	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.2	170.4	0	0	0	0	0	113.8	V54 N74	V54-G72 PolarHBondContact O-N 2.59Å; G72-N74 PolarHBondContact O-N 3.17Å
73	D	95.2	Very high	95.2	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	14.1	167.8	63.1	-19.2	0	0	0	112.8	H51 N52 G71 R75	H51-D73 WeakPolarHBondContact CA-OD2 3.18Å; H51-D73 WeakPolarHBondContact CB-OD2 3.09Å; H51-D73 IonicContact CE1-OD1 3.49Å; H51-D73 IonicContact CG-OD2 3.74Å; H51-D73 IonicContact ND1-OD1 2.74Å; H51-D73 PolarHBondContact ND1-OD1 3.49Å; H51-D73 IonicContact ND1-OD2 2.68Å; H51-D73 PolarHBondContact ND1-OD2 2.77Å; H51-D73 VanDerWaalsContact ND1-OD2 3.09Å; N52-D73 PolarHBondContact N-OD2 3.49Å; G71-D73 WeakPolarHBondContact CA-OD1 3.02Å; G71-D73 PolarHBondContact O-N 3.08Å; D73-R75 PolarHBondContact O-N 3.18Å; D73-R75 PolarHBondContact OD1-N 2.8Å
74	N	94.8	Very high	95.2	Very high	67 Å²	67	34.1 Å²	34.1	36%	0.358	18%	0.178	S	C	.	.	S	Bend	trans	60.2	27.9	-179.1	-54.3	-14.4	0	0	0	113.2	G71 G72 S92 G95	G71-N74 PolarHBondContact O-N 3.3Å; G72-N74 PolarHBondContact O-N 3.17Å; N74-S92 WeakPolarHBondContact CB-O 3.47Å; N74-S92 WeakPolarHBondContact O-CB 3.11Å; N74-S92 PolarHBondContact O-N 3.39Å; N74-G95 VanDerWaalsContact OD1-CA 3.26Å; N74-G95 WeakPolarHBondContact OD1-CA 3.29Å; N74-G95 PolarHBondContact OD1-N 2.91Å
75	R	94.8	Very high	95	Very high	89 Å²	89	39 Å²	39	34%	0.336	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.8	179.7	-68.8	177	178.9	171.5	1.3	111.3	H51 G71 D73 F77 L90 D91	H51-R75 PolarHBondContact CE1-O 3.03Å; G71-R75 PolarHBondContact N-O 3.35Å; D73-R75 PolarHBondContact O-N 3.18Å; D73-R75 PolarHBondContact OD1-N 2.8Å; R75-F77 HydrophobicContact CB-CD2 4.38Å; R75-F77 HydrophobicContact CB-CE2 3.83Å; R75-F77 HydrophobicContact CB-CZ 4.31Å; R75-L90 WeakPolarHBondContact CA-O 3.48Å; R75-D91 IonicContact NE-OD1 3.51Å
76	C	94.9	Very high	95	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.6	164.5	179.1	0	0	0	0	107.9	V68 T69 L90 V96 V110	V68-C76 VanDerWaalsContact CG2-SG 3.52Å; T69-C76 CarbonylContact O-C 3.21Å; T69-C76 WeakPolarHBondContact O-CA 3.48Å; T69-C76 PolarHBondContact O-SG 3.3Å; T69-C76 VanDerWaalsContact O-SG 3.38Å; C76-L90 HydrophobicContact CB-CB 4.23Å; C76-L90 PolarHBondContact N-O 3.26Å; C76-L90 PolarHBondContact O-N 3.19Å; C76-V96 HydrophobicContact CB-CG2 4.34Å; C76-V110 HydrophobicContact CB-CG1 4.39Å; C76-V110 HydrophobicContact CB-CG2 4.41Å
77	F	95	Very high	94.7	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.2	175.5	-68.4	-83	0	0	0	110.3	G50 H51 V68 T69 R75 W79 I86 Q88 Q89	G50-F77 WeakPolarHBondContact O-CZ 3.48Å; H51-F77 HydrophobicContact CB-CE2 4.47Å; H51-F77 AromaticContact CD2-CD2 3.73Å; H51-F77 AromaticContact CE1-CD2 3.47Å; H51-F77 VanDerWaalsContact CE1-CD2 3.47Å; H51-F77 WeakPolarHBondContact CE1-CD2 3.36Å; H51-F77 AromaticContact CE1-CE2 3.88Å; H51-F77 AromaticContact CG-CD2 3.86Å; H51-F77 AromaticContact CG-CE2 3.81Å; H51-F77 AromaticContact ND1-CD2 3.7Å; H51-F77 AromaticContact ND1-CE2 3.62Å; H51-F77 AromaticContact NE2-CD2 3.5Å; H51-F77 WeakPolarHBondContact NE2-CD2 3.3Å; V68-F77 WeakPolarHBondContact CA-O 3.26Å; T69-F77 PolarHBondContact N-O 2.93Å; T69-F77 PolarHBondContact O-N 2.84Å; R75-F77 HydrophobicContact CB-CD2 4.38Å; R75-F77 HydrophobicContact CB-CE2 3.83Å; R75-F77 HydrophobicContact CB-CZ 4.31Å; F77-W79 HydrophobicContact CB-CD2 4.19Å; F77-W79 HydrophobicContact CB-CH2 4.24Å; F77-W79 HydrophobicContact CB-CZ2 3.3Å; F77-W79 VanDerWaalsContact CB-NE1 3.29Å; F77-W79 HydrophobicContact CD1-CH2 4.43Å; F77-W79 HydrophobicContact CD1-CZ2 4.22Å; F77-W79 HydrophobicContact CD2-CH2 4.44Å; F77-W79 AromaticContact CD2-CZ2 3.79Å; F77-W79 HydrophobicContact CD2-CZ2 3.79Å; F77-W79 HydrophobicContact CG-CH2 4.14Å; F77-W79 AromaticContact CG-CZ2 3.52Å; F77-W79 HydrophobicContact CG-CZ2 3.52Å; F77-I86 HydrophobicContact CD1-CD1 3.99Å; F77-I86 HydrophobicContact CD1-CG1 4.1Å; F77-I86 HydrophobicContact CD1-CG2 3.74Å; F77-I86 HydrophobicContact CE1-CD1 3.84Å; F77-I86 HydrophobicContact CE1-CG1 4.46Å; F77-I86 HydrophobicContact CE1-CG2 4.29Å; F77-Q88 WeakPolarHBondContact CA-O 3.2Å; F77-Q89 HydrophobicContact CD1-CB 3.86Å; F77-Q89 HydrophobicContact CD1-CG 4.01Å; F77-Q89 HydrophobicContact CE1-CB 3.68Å; F77-Q89 HydrophobicContact CE1-CG 3.5Å; F77-Q89 HydrophobicContact CZ-CG 4.02Å
78	L	94.5	Very high	94.4	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121	169.6	-175.3	63.3	0	0	0	107.3	L66 L67 V68 L87 Q88 F108 I127	L66-L78 HydrophobicContact CB-CD1 4.24Å; L67-L78 CarbonylContact O-C 3.58Å; L67-L78 WeakPolarHBondContact O-CA 3.26Å; V68-L78 HydrophobicContact CB-CD1 4.28Å; L78-L87 WeakPolarHBondContact O-CA 3.48Å; L78-L87 WeakPolarHBondContact O-CB 3.33Å; L78-L87 PolarHBondContact O-N 3.45Å; L78-Q88 HydrophobicContact CB-CB 4.15Å; L78-Q88 PolarHBondContact N-O 3.41Å; L78-Q88 PolarHBondContact O-N 3.36Å; L78-Q88 VanDerWaalsContact O-N 3.07Å; L78-F108 HydrophobicContact CD2-CE1 4.32Å; L78-I127 HydrophobicContact CD2-CG2 3.8Å
79	W	95.2	Very high	94.1	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.8	-172.8	-42.8	82.4	0	0	0	110.9	Y48 L66 L67 T69 F77 K85 I86	Y48-W79 HydrophobicContact CD1-CB 3.92Å; Y48-W79 AromaticContact CD1-CD2 3.95Å; Y48-W79 HydrophobicContact CD1-CD2 3.95Å; Y48-W79 AromaticContact CD1-CE3 4Å; Y48-W79 HydrophobicContact CD1-CE3 4Å; Y48-W79 AromaticContact CD1-CG 3.91Å; Y48-W79 HydrophobicContact CD1-CG 3.91Å; Y48-W79 HydrophobicContact CE1-CB 4.21Å; Y48-W79 HydrophobicContact CG-CD2 4.41Å; L66-W79 WeakPolarHBondContact CA-O 2.98Å; L67-W79 HydrophobicContact CB-CB 4.12Å; L67-W79 HydrophobicContact CB-CG 4.48Å; L67-W79 HydrophobicContact CD2-CG 4.46Å; L67-W79 PolarHBondContact N-O 2.86Å; L67-W79 VanDerWaalsContact N-O 3.12Å; L67-W79 VanDerWaalsContact O-CD1 3.3Å; L67-W79 PolarHBondContact O-N 2.88Å; T69-W79 PolarHBondContact OG1-NE1 3.39Å; F77-W79 HydrophobicContact CB-CD2 4.19Å; F77-W79 HydrophobicContact CB-CH2 4.24Å; F77-W79 HydrophobicContact CB-CZ2 3.3Å; F77-W79 VanDerWaalsContact CB-NE1 3.29Å; F77-W79 HydrophobicContact CD1-CH2 4.43Å; F77-W79 HydrophobicContact CD1-CZ2 4.22Å; F77-W79 HydrophobicContact CD2-CH2 4.44Å; F77-W79 AromaticContact CD2-CZ2 3.79Å; F77-W79 HydrophobicContact CD2-CZ2 3.79Å; F77-W79 HydrophobicContact CG-CH2 4.14Å; F77-W79 AromaticContact CG-CZ2 3.52Å; F77-W79 HydrophobicContact CG-CZ2 3.52Å; W79-K85 VanDerWaalsContact CA-O 3.32Å; W79-K85 WeakPolarHBondContact CA-O 3.37Å; W79-I86 HydrophobicContact CD2-CG1 4.39Å; W79-I86 HydrophobicContact CE3-CB 4.42Å; W79-I86 HydrophobicContact CE3-CG1 3.53Å; W79-I86 HydrophobicContact CH2-CD1 3.95Å; W79-I86 HydrophobicContact CH2-CG1 3.61Å; W79-I86 HydrophobicContact CZ2-CG1 4.45Å; W79-I86 HydrophobicContact CZ3-CB 4.38Å; W79-I86 HydrophobicContact CZ3-CD1 3.82Å; W79-I86 HydrophobicContact CZ3-CG1 3.1Å
80	N	94.3	Very high	93.8	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	156.3	-178.9	8	0	0	0	108.1	K65 E82 D83 G84 K85 L87	K65-N80 PolarHBondContact O-OD1 3.17Å; N80-E82 VanDerWaalsContact C-N 3.35Å; N80-E82 PolarHBondContact OD1-N 3.02Å; N80-D83 WeakPolarHBondContact CB-OD1 3.28Å; N80-D83 VanDerWaalsContact ND2-CG 3.29Å; N80-D83 PolarHBondContact ND2-OD1 2.82Å; N80-G84 WeakPolarHBondContact O-CA 3.49Å; N80-G84 PolarHBondContact O-N 3.22Å; N80-G84 VanDerWaalsContact O-N 3.1Å; N80-K85 PolarHBondContact N-O 3.12Å; N80-L87 HydrophobicContact CB-CD1 3.84Å; N80-L87 HydrophobicContact CB-CD2 4.21Å; N80-L87 HydrophobicContact CB-CG 4.05Å
81	V	95.2	Very high	93.6	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.048	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.8	-179.5	170.8	0	0	0	0	111.2	L24 F26 Y48 V60 T64 K65 L67	L24-V81 HydrophobicContact CD1-CG1 4.46Å; F26-V81 HydrophobicContact CE1-CG1 4.13Å; F26-V81 HydrophobicContact CZ-CG1 3.77Å; F26-V81 HydrophobicContact CZ-CG2 4.31Å; Y48-V81 PolarHBondContact OH-O 3.22Å; V60-V81 HydrophobicContact CG2-CG2 4.21Å; T64-V81 HydrophobicContact CG2-CG1 4.13Å; T64-V81 VanDerWaalsContact O-CB 3.22Å; T64-V81 WeakPolarHBondContact O-CB 3.29Å; T64-V81 WeakPolarHBondContact O-CG1 3.32Å; T64-V81 WeakPolarHBondContact O-CG2 3.38Å; K65-V81 PolarHBondContact O-N 3.23Å; L67-V81 HydrophobicContact CB-CG2 3.93Å
82	E	93.3	Very high	93.3	Very high	177 Å²	177	52.3 Å²	52.3	83%	0.827	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-47	-170.8	-175	-178.6	-175.8	0	0	113.1	N80	N80-E82 VanDerWaalsContact C-N 3.35Å; N80-E82 PolarHBondContact OD1-N 3.02Å
83	D	93	Very high	93	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-1.8	-174.3	71.2	-0.8	0	0	0	114.1	N80 K85	N80-D83 WeakPolarHBondContact CB-OD1 3.28Å; N80-D83 VanDerWaalsContact ND2-CG 3.29Å; N80-D83 PolarHBondContact ND2-OD1 2.82Å; D83-K85 HydrophobicContact CB-CG 4.46Å; D83-K85 PolarHBondContact O-N 2.8Å; D83-K85 WeakPolarHBondContact OD1-CB 3.44Å; D83-K85 WeakPolarHBondContact OD1-CG 3.34Å; D83-K85 PolarHBondContact OD1-N 3.13Å; D83-K85 WeakPolarHBondContact OD2-CD 3.42Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.4Å; D83-K85 IonicContact OD2-NZ 2.94Å; D83-K85 PolarHBondContact OD2-NZ 3.03Å
84	G	92.8	Very high	92.9	Very high	23 Å²	23	52.5 Å²	52.5	24%	0.237	27%	0.268	C	S	.	.			trans	66.8	12.1	-179.6	0	0	0	0	0	114.6	N80	N80-G84 WeakPolarHBondContact O-CA 3.49Å; N80-G84 PolarHBondContact O-N 3.22Å; N80-G84 VanDerWaalsContact O-N 3.1Å
85	K	93.1	Very high	92.8	Very high	132 Å²	132	49.7 Å²	49.7	57%	0.574	26%	0.255	S	S	*	.			trans	-74.8	143.5	179.4	-69.4	-172.4	-167.7	118.7	0	111.6	W79 N80 D83 L87	W79-K85 VanDerWaalsContact CA-O 3.32Å; W79-K85 WeakPolarHBondContact CA-O 3.37Å; N80-K85 PolarHBondContact N-O 3.12Å; D83-K85 HydrophobicContact CB-CG 4.46Å; D83-K85 PolarHBondContact O-N 2.8Å; D83-K85 WeakPolarHBondContact OD1-CB 3.44Å; D83-K85 WeakPolarHBondContact OD1-CG 3.34Å; D83-K85 PolarHBondContact OD1-N 3.13Å; D83-K85 WeakPolarHBondContact OD2-CD 3.42Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.4Å; D83-K85 IonicContact OD2-NZ 2.94Å; D83-K85 PolarHBondContact OD2-NZ 3.03Å; K85-L87 PolarHBondContact O-N 3.11Å
86	I	92.9	Very high	92.9	Very high	77 Å²	77	45.4 Å²	45.4	40%	0.395	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.9	169.1	-61.2	166.9	0	0	0	107.8	F77 W79 Q88	F77-I86 HydrophobicContact CD1-CD1 3.99Å; F77-I86 HydrophobicContact CD1-CG1 4.1Å; F77-I86 HydrophobicContact CD1-CG2 3.74Å; F77-I86 HydrophobicContact CE1-CD1 3.84Å; F77-I86 HydrophobicContact CE1-CG1 4.46Å; F77-I86 HydrophobicContact CE1-CG2 4.29Å; W79-I86 HydrophobicContact CD2-CG1 4.39Å; W79-I86 HydrophobicContact CE3-CB 4.42Å; W79-I86 HydrophobicContact CE3-CG1 3.53Å; W79-I86 HydrophobicContact CH2-CD1 3.95Å; W79-I86 HydrophobicContact CH2-CG1 3.61Å; W79-I86 HydrophobicContact CZ2-CG1 4.45Å; W79-I86 HydrophobicContact CZ3-CB 4.38Å; W79-I86 HydrophobicContact CZ3-CD1 3.82Å; W79-I86 HydrophobicContact CZ3-CG1 3.1Å; I86-Q88 WeakPolarHBondContact CG2-O 3.45Å
87	L	90.5	Very high	92.9	Very high	80 Å²	80	47.8 Å²	47.8	42%	0.419	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-33.3	171.2	-61.4	175.9	0	0	0	110.3	L66 L78 N80 K85 R130	L66-L87 HydrophobicContact CD2-CD1 3.71Å; L78-L87 WeakPolarHBondContact O-CA 3.48Å; L78-L87 WeakPolarHBondContact O-CB 3.33Å; L78-L87 PolarHBondContact O-N 3.45Å; N80-L87 HydrophobicContact CB-CD1 3.84Å; N80-L87 HydrophobicContact CB-CD2 4.21Å; N80-L87 HydrophobicContact CB-CG 4.05Å; K85-L87 PolarHBondContact O-N 3.11Å; L87-R130 VanDerWaalsContact CB-NH2 3.33Å
88	Q	88.7	Confident	93	Very high	31 Å²	31	48 Å²	48	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	146.3	175.7	-170.2	148.5	1.8	0	0	113.1	F77 L78 I86 L90 L136	F77-Q88 WeakPolarHBondContact CA-O 3.2Å; L78-Q88 HydrophobicContact CB-CB 4.15Å; L78-Q88 PolarHBondContact N-O 3.41Å; L78-Q88 PolarHBondContact O-N 3.36Å; L78-Q88 VanDerWaalsContact O-N 3.07Å; I86-Q88 WeakPolarHBondContact CG2-O 3.45Å; Q88-L90 HydrophobicContact CG-CD2 4.28Å; Q88-L90 HydrophobicContact CG-CG 4.42Å; Q88-L136 PolarHBondContact NE2-O 2.9Å
89	Q	91.3	Very high	93.1	Very high	82 Å²	82	48 Å²	48	38%	0.383	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.6	166.2	-179.3	-175.8	-44.6	0	0	108.7	F77 D91	F77-Q89 HydrophobicContact CD1-CB 3.86Å; F77-Q89 HydrophobicContact CD1-CG 4.01Å; F77-Q89 HydrophobicContact CE1-CB 3.68Å; F77-Q89 HydrophobicContact CE1-CG 3.5Å; F77-Q89 HydrophobicContact CZ-CG 4.02Å; Q89-D91 PolarHBondContact NE2-OD1 2.67Å
90	L	91.6	Very high	93.2	Very high	16 Å²	16	48.1 Å²	48.1	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.7	170.9	-64.5	178.4	0	0	0	109	R75 C76 Q88 F108 F125	R75-L90 WeakPolarHBondContact CA-O 3.48Å; C76-L90 HydrophobicContact CB-CB 4.23Å; C76-L90 PolarHBondContact N-O 3.26Å; C76-L90 PolarHBondContact O-N 3.19Å; Q88-L90 HydrophobicContact CG-CD2 4.28Å; Q88-L90 HydrophobicContact CG-CG 4.42Å; L90-F108 HydrophobicContact CD1-CE2 3.81Å; L90-F108 HydrophobicContact CD1-CZ 3.55Å; L90-F125 HydrophobicContact CD1-CD1 4.13Å; L90-F125 HydrophobicContact CD1-CD2 4.06Å; L90-F125 HydrophobicContact CD1-CE1 3.92Å; L90-F125 HydrophobicContact CD1-CE2 3.86Å; L90-F125 HydrophobicContact CD1-CG 4.19Å; L90-F125 HydrophobicContact CD1-CZ 3.78Å; L90-F125 HydrophobicContact CD2-CE1 4.38Å
91	D	91.7	Very high	93.3	Very high	117 Å²	117	46.9 Å²	46.9	63%	0.626	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.5	172.5	-61.6	-42.8	0	0	0	109.8	R75 Q89	R75-D91 IonicContact NE-OD1 3.51Å; Q89-D91 PolarHBondContact NE2-OD1 2.67Å
92	S	90.6	Very high	93.3	Very high	22 Å²	22	46.6 Å²	46.6	15%	0.154	24%	0.242	C	C	.	.			trans	-109.9	147.9	177.9	170.4	0	0	0	0	109.7	N74 T94 N112	N74-S92 WeakPolarHBondContact CB-O 3.47Å; N74-S92 WeakPolarHBondContact O-CB 3.11Å; N74-S92 PolarHBondContact O-N 3.39Å; S92-T94 VanDerWaalsContact CB-O 3.23Å; S92-T94 WeakPolarHBondContact CB-O 3.48Å; S92-T94 PolarHBondContact O-N 3.13Å; S92-T94 PolarHBondContact OG-N 2.91Å; S92-T94 PolarHBondContact OG-O 3.41Å; S92-N112 WeakPolarHBondContact OG-CB 3.43Å
93	P	89.2	Confident	93.3	Very high	56 Å²	56	41.1 Å²	41.1	36%	0.364	22%	0.216	S	C	.	.	S	Bend	trans	-62.9	-22.1	175	24	-33.7	0	0	0	113.7	N118	P93-N118 HydrophobicContact CB-CB 4.15Å; P93-N118 WeakPolarHBondContact CB-ND2 3.42Å; P93-N118 PolarHBondContact O-ND2 2.83Å
94	T	93	Very high	93.3	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.08	22%	0.216	C	C	.	.	S	Bend	trans	-147.8	177	-179.2	59.9	0	0	0	0	110.5	S92 V96 N112 D113 N118	S92-T94 VanDerWaalsContact CB-O 3.23Å; S92-T94 WeakPolarHBondContact CB-O 3.48Å; S92-T94 PolarHBondContact O-N 3.13Å; S92-T94 PolarHBondContact OG-N 2.91Å; S92-T94 PolarHBondContact OG-O 3.41Å; T94-V96 PolarHBondContact O-N 3.14Å; T94-N112 WeakPolarHBondContact OG1-CB 3.23Å; T94-N112 PolarHBondContact OG1-ND2 3Å; T94-D113 WeakPolarHBondContact CB-O 3.36Å; T94-D113 PolarHBondContact OG1-N 2.93Å; T94-D113 PolarHBondContact OG1-O 3.06Å; T94-N118 HydrophobicContact CG2-CB 3.87Å
95	G	93.4	Very high	93.2	Very high	8 Å²	8	40 Å²	40	8%	0.082	21%	0.212	C	C	.	.			trans	-61.2	132.8	-177.3	0	0	0	0	0	112	N74 N112 D113	N74-G95 VanDerWaalsContact OD1-CA 3.26Å; N74-G95 WeakPolarHBondContact OD1-CA 3.29Å; N74-G95 PolarHBondContact OD1-N 2.91Å; G95-N112 WeakPolarHBondContact O-CA 3.31Å; G95-D113 PolarHBondContact O-N 3.03Å
96	V	96	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123	177	-179.5	0	0	0	0	108.5	W56 G71 C76 T94 V99 V110	W56-V96 VanDerWaalsContact CD1-O 3.29Å; G71-V96 PolarHBondContact O-N 3.02Å; C76-V96 HydrophobicContact CB-CG2 4.34Å; T94-V96 PolarHBondContact O-N 3.14Å; V96-V99 HydrophobicContact CG1-CG1 3.61Å; V96-V110 HydrophobicContact CB-CG1 4.39Å; V96-V110 HydrophobicContact CG1-CG1 3.58Å; V96-V110 HydrophobicContact CG2-CG1 3.88Å
97	R	96	Very high	93.1	Very high	52 Å²	52	33.9 Å²	33.9	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-37.1	-177	-71.6	-68.6	179.1	-89.3	-5.2	112.8	W56 S57 G111 D113 M151	W56-R97 VanDerWaalsContact CD1-NH1 3.32Å; S57-R97 WeakPolarHBondContact CB-O 3.47Å; R97-G111 PolarHBondContact N-O 2.88Å; R97-D113 HydrophobicContact CG-CB 4.2Å; R97-D113 IonicContact CZ-OD2 2.73Å; R97-D113 VanDerWaalsContact CZ-OD2 3.26Å; R97-D113 IonicContact NE-OD2 3.34Å; R97-D113 PolarHBondContact NE-OD2 2.94Å; R97-D113 IonicContact NH2-OD2 3.28Å; R97-D113 PolarHBondContact NH2-OD2 2.67Å; R97-M151 WeakPolarHBondContact CB-O 3.49Å
98	T	96.8	Very high	93.3	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143	-176.7	-170.9	0	0	0	0	110.7	F109 G111 M151 G154	T98-F109 HydrophobicContact CG2-CE2 3.99Å; T98-G111 PolarHBondContact N-O 2.95Å; T98-G111 PolarHBondContact O-N 2.85Å; T98-M151 HydrophobicContact CG2-CE 3.44Å; T98-M151 VanDerWaalsContact CG2-CE 3.44Å; T98-G154 PolarHBondContact OG1-N 3.4Å; T98-G154 PolarHBondContact OG1-O 3.19Å
99	V	97.4	Very high	93.6	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.03	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.4	174.7	-65.4	0	0	0	0	108.7	S57 V68 V96 F109 V110	S57-V99 WeakPolarHBondContact OG-CG2 3.44Å; S57-V99 PolarHBondContact OG-N 2.63Å; S57-V99 VanDerWaalsContact OG-N 3.17Å; S57-V99 PolarHBondContact OG-O 3.34Å; V68-V99 HydrophobicContact CG1-CB 3.9Å; V68-V99 HydrophobicContact CG1-CG2 3.74Å; V68-V99 HydrophobicContact CG2-CB 4.11Å; V68-V99 HydrophobicContact CG2-CG1 4.33Å; V68-V99 HydrophobicContact CG2-CG2 4.34Å; V96-V99 HydrophobicContact CG1-CG1 3.61Å; V99-F109 WeakPolarHBondContact CA-O 3.36Å; V99-V110 HydrophobicContact CG1-CG1 4.45Å; V99-V110 HydrophobicContact CG1-CG2 4.36Å
100	G	96.7	Very high	93.8	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	139.6	173.9	0	0	0	0	0	112.2	D59 F108 F109 W156	D59-G100 VanDerWaalsContact OD2-CA 3.29Å; D59-G100 WeakPolarHBondContact OD2-CA 3.14Å; G100-F108 CarbonylContact O-C 3.53Å; G100-F108 WeakPolarHBondContact O-CA 3.19Å; G100-F108 VanDerWaalsContact O-CB 3.31Å; G100-F108 WeakPolarHBondContact O-CB 3.38Å; G100-F109 PolarHBondContact N-O 2.91Å; G100-F109 PolarHBondContact O-N 3.43Å; G100-W156 PolarHBondContact O-NE1 2.98Å
101	I	96.3	Very high	94	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.5	176.6	-57.5	175.5	0	0	0	108.4	D59 L66 V68 F108 W156	D59-I101 PolarHBondContact OD2-N 2.93Å; L66-I101 HydrophobicContact CB-CD1 4.24Å; V68-I101 HydrophobicContact CB-CD1 4.01Å; V68-I101 HydrophobicContact CB-CG1 4.03Å; V68-I101 HydrophobicContact CG1-CD1 3.83Å; V68-I101 HydrophobicContact CG1-CG1 3.49Å; V68-I101 VanDerWaalsContact CG1-CG1 3.49Å; I101-F108 HydrophobicContact CG1-CB 4.14Å; I101-W156 VanDerWaalsContact C-NE1 3.29Å
102	S	95.3	Very high	94.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	11%	0.111	C	C	.	.			trans	-67.3	160.6	179	87	0	0	0	0	110.9	S104 G105 L107 D160	S102-S104 VanDerWaalsContact C-N 3.29Å; S102-S104 PolarHBondContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 2.79Å; S102-G105 WeakPolarHBondContact O-CA 3.39Å; S102-G105 PolarHBondContact O-N 2.84Å; S102-L107 WeakPolarHBondContact CB-O 3.45Å; S102-L107 PolarHBondContact N-O 3.45Å; S102-L107 PolarHBondContact OG-N 3.49Å; S102-L107 PolarHBondContact OG-O 2.89Å; S102-D160 WeakPolarHBondContact CB-OD1 3.37Å; S102-D160 PolarHBondContact OG-OD1 3.34Å
103	F	93	Very high	94.1	Very high	63 Å²	63	18.9 Å²	18.9	28%	0.276	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.8	-176.9	-74.9	-101.6	0	0	0	112.7	W62 G105 W156 Y159 D160	W62-F103 HydrophobicContact CE3-CD1 4.02Å; W62-F103 HydrophobicContact CE3-CE1 4.28Å; W62-F103 HydrophobicContact CH2-CE1 4.49Å; W62-F103 HydrophobicContact CZ3-CD1 4.08Å; W62-F103 AromaticContact CZ3-CE1 3.92Å; W62-F103 HydrophobicContact CZ3-CE1 3.92Å; F103-G105 PolarHBondContact O-N 2.85Å; F103-W156 HydrophobicContact CD2-CB 4.28Å; F103-W156 HydrophobicContact CE2-CB 4.04Å; F103-Y159 HydrophobicContact CB-CD1 4.5Å; F103-Y159 HydrophobicContact CD1-CD1 4.39Å; F103-Y159 VanDerWaalsContact CD2-CA 3.42Å; F103-Y159 VanDerWaalsContact CD2-O 3.23Å; F103-Y159 WeakPolarHBondContact CD2-O 3.37Å; F103-Y159 HydrophobicContact CG-CD1 4.31Å; F103-D160 PolarHBondContact N-OD1 2.99Å
104	S	92.1	Very high	94	Very high	56 Å²	56	19.1 Å²	19.1	39%	0.392	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.3	172.1	62.5	0	0	0	0	114.2	S102 N106 D160	S102-S104 VanDerWaalsContact C-N 3.29Å; S102-S104 PolarHBondContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 2.79Å; S104-N106 VanDerWaalsContact CB-ND2 3.33Å; S104-N106 WeakPolarHBondContact CB-ND2 3.38Å; S104-N106 PolarHBondContact O-N 2.82Å; S104-N106 PolarHBondContact OG-ND2 3.37Å; S104-N106 VanDerWaalsContact OG-ND2 3.1Å; S104-D160 WeakPolarHBondContact CB-OD2 3.34Å; S104-D160 PolarHBondContact N-OD1 2.83Å; S104-D160 PolarHBondContact N-OD2 3.09Å; S104-D160 VanDerWaalsContact OG-CG 3.27Å; S104-D160 PolarHBondContact OG-OD1 2.87Å; S104-D160 PolarHBondContact OG-OD2 2.77Å
105	G	91.2	Very high	93.4	Very high	13 Å²	13	20.2 Å²	20.2	13%	0.134	13%	0.125	C	C	.	.	S	Bend	trans	66.2	23.8	-175.3	0	0	0	0	0	113.1	S102 F103 I127	S102-G105 WeakPolarHBondContact O-CA 3.39Å; S102-G105 PolarHBondContact O-N 2.84Å; F103-G105 PolarHBondContact O-N 2.85Å; G105-I127 WeakPolarHBondContact O-CD1 3.46Å; G105-I127 WeakPolarHBondContact O-CG1 3.18Å
106	N	91	Very high	92.7	Very high	53 Å²	53	27.5 Å²	27.5	28%	0.283	17%	0.168	S	C	.	.	S	Bend	trans	-105.9	-23.5	-179.9	-69.2	-49.5	0	0	0	113.2	S104 I127 R128	S104-N106 VanDerWaalsContact CB-ND2 3.33Å; S104-N106 WeakPolarHBondContact CB-ND2 3.38Å; S104-N106 PolarHBondContact O-N 2.82Å; S104-N106 PolarHBondContact OG-ND2 3.37Å; S104-N106 VanDerWaalsContact OG-ND2 3.1Å; N106-I127 WeakPolarHBondContact O-CG1 3.22Å; N106-I127 PolarHBondContact O-N 2.79Å; N106-R128 HydrophobicContact CB-CG 3.86Å; N106-R128 WeakPolarHBondContact OD1-CG 3.34Å
107	L	93.3	Very high	91.9	Very high	28 Å²	28	32.5 Å²	32.5	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.2	178.9	-55	176.5	0	0	0	109.3	S102 I124 F125 D126 W156 L177	S102-L107 WeakPolarHBondContact CB-O 3.45Å; S102-L107 PolarHBondContact N-O 3.45Å; S102-L107 PolarHBondContact OG-N 3.49Å; S102-L107 PolarHBondContact OG-O 2.89Å; L107-I124 HydrophobicContact CB-CG2 4.36Å; L107-F125 VanDerWaalsContact CA-O 3.29Å; L107-F125 WeakPolarHBondContact CA-O 3.41Å; L107-D126 HydrophobicContact CD2-CB 3.86Å; L107-W156 HydrophobicContact CB-CH2 3.96Å; L107-W156 HydrophobicContact CB-CZ2 3.87Å; L107-W156 HydrophobicContact CD1-CH2 4Å; L107-L177 HydrophobicContact CD1-CD2 4.27Å
108	F	94.9	Very high	91.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.3	161	71.3	-83	0	0	0	109.8	V68 L78 L90 G100 I101 V110 I124 F125 I127	V68-F108 HydrophobicContact CG2-CD2 4.01Å; V68-F108 HydrophobicContact CG2-CE2 4.31Å; L78-F108 HydrophobicContact CD2-CE1 4.32Å; L90-F108 HydrophobicContact CD1-CE2 3.81Å; L90-F108 HydrophobicContact CD1-CZ 3.55Å; G100-F108 CarbonylContact O-C 3.53Å; G100-F108 WeakPolarHBondContact O-CA 3.19Å; G100-F108 VanDerWaalsContact O-CB 3.31Å; G100-F108 WeakPolarHBondContact O-CB 3.38Å; I101-F108 HydrophobicContact CG1-CB 4.14Å; F108-V110 HydrophobicContact CD2-CG2 3.8Å; F108-V110 HydrophobicContact CE2-CG2 3.54Å; F108-I124 WeakPolarHBondContact O-CA 3.25Å; F108-F125 HydrophobicContact CD1-CB 3.92Å; F108-F125 HydrophobicContact CD2-CD2 4.31Å; F108-F125 HydrophobicContact CE1-CB 3.41Å; F108-F125 VanDerWaalsContact CE1-CB 3.41Å; F108-F125 HydrophobicContact CE1-CG 4.17Å; F108-F125 HydrophobicContact CE2-CB 4.14Å; F108-F125 AromaticContact CE2-CD2 3.7Å; F108-F125 HydrophobicContact CE2-CD2 3.7Å; F108-F125 HydrophobicContact CE2-CE2 4.45Å; F108-F125 HydrophobicContact CE2-CG 4.14Å; F108-F125 HydrophobicContact CG-CB 4.48Å; F108-F125 HydrophobicContact CZ-CB 3.56Å; F108-F125 AromaticContact CZ-CD2 3.83Å; F108-F125 HydrophobicContact CZ-CD2 3.83Å; F108-F125 AromaticContact CZ-CG 3.78Å; F108-F125 HydrophobicContact CZ-CG 3.78Å; F108-F125 PolarHBondContact N-O 3.02Å; F108-F125 PolarHBondContact O-N 3.36Å; F108-I127 HydrophobicContact CD1-CG2 3.41Å; F108-I127 VanDerWaalsContact CD1-CG2 3.41Å; F108-I127 HydrophobicContact CE1-CG2 3.31Å
109	F	95.7	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	155.4	173.7	74.2	-98.8	0	0	0	111.6	T98 V99 G100 L122 K123 I124 W156 I163	T98-F109 HydrophobicContact CG2-CE2 3.99Å; V99-F109 WeakPolarHBondContact CA-O 3.36Å; G100-F109 PolarHBondContact N-O 2.91Å; G100-F109 PolarHBondContact O-N 3.43Å; F109-L122 HydrophobicContact CB-CD1 3.9Å; F109-L122 HydrophobicContact CD2-CD1 3.7Å; F109-L122 HydrophobicContact CG-CD1 4.04Å; F109-K123 CarbonylContact C-O 3.54Å; F109-K123 WeakPolarHBondContact CA-O 3.45Å; F109-I124 HydrophobicContact CB-CG1 4.11Å; F109-W156 AromaticContact CD1-CD1 3.77Å; F109-W156 HydrophobicContact CD1-CD2 4.31Å; F109-W156 AromaticContact CD1-CE2 3.67Å; F109-W156 HydrophobicContact CD1-CG 4.37Å; F109-W156 HydrophobicContact CD1-CZ2 4.15Å; F109-W156 AromaticContact CD1-NE1 3.28Å; F109-W156 VanDerWaalsContact CD1-NE1 3.28Å; F109-W156 AromaticContact CE1-CD1 3.59Å; F109-W156 HydrophobicContact CE1-CG 4.21Å; F109-W156 AromaticContact CE1-NE1 3.61Å; F109-I163 HydrophobicContact CB-CD1 3.66Å; F109-I163 HydrophobicContact CD1-CD1 3.84Å; F109-I163 HydrophobicContact CD1-CG1 4.03Å; F109-I163 HydrophobicContact CD1-CG2 4.12Å; F109-I163 HydrophobicContact CE1-CG2 4.22Å; F109-I163 HydrophobicContact CG-CD1 3.93Å; F109-I163 HydrophobicContact CG-CG2 4.34Å
110	V	95.8	Very high	90.6	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120.9	176.2	-177.3	0	0	0	0	107.8	C76 V96 V99 F108 K123 F125	C76-V110 HydrophobicContact CB-CG1 4.39Å; C76-V110 HydrophobicContact CB-CG2 4.41Å; V96-V110 HydrophobicContact CB-CG1 4.39Å; V96-V110 HydrophobicContact CG1-CG1 3.58Å; V96-V110 HydrophobicContact CG2-CG1 3.88Å; V99-V110 HydrophobicContact CG1-CG1 4.45Å; V99-V110 HydrophobicContact CG1-CG2 4.36Å; F108-V110 HydrophobicContact CD2-CG2 3.8Å; F108-V110 HydrophobicContact CE2-CG2 3.54Å; V110-K123 PolarHBondContact N-O 3.06Å; V110-K123 PolarHBondContact O-N 3.1Å; V110-F125 HydrophobicContact CB-CE2 4.14Å; V110-F125 HydrophobicContact CG2-CD2 4.03Å; V110-F125 HydrophobicContact CG2-CE2 3.8Å
111	G	95.5	Very high	90.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.2	173.3	0	0	0	0	0	111.1	R97 T98 T121 M151	R97-G111 PolarHBondContact N-O 2.88Å; T98-G111 PolarHBondContact N-O 2.95Å; T98-G111 PolarHBondContact O-N 2.85Å; G111-T121 WeakPolarHBondContact CA-O 3.48Å; G111-M151 VanDerWaalsContact CA-CE 3.46Å
112	N	93.1	Very high	90.4	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	157.9	177.7	71.1	-57.4	0	0	0	112.4	S92 T94 G95 S119 A120 T121	S92-N112 WeakPolarHBondContact OG-CB 3.43Å; T94-N112 WeakPolarHBondContact OG1-CB 3.23Å; T94-N112 PolarHBondContact OG1-ND2 3Å; G95-N112 WeakPolarHBondContact O-CA 3.31Å; N112-S119 PolarHBondContact ND2-O 2.89Å; N112-A120 WeakPolarHBondContact O-CB 3.22Å; N112-T121 PolarHBondContact N-O 2.96Å; N112-T121 VanDerWaalsContact N-O 3.15Å; N112-T121 VanDerWaalsContact OD1-CA 3.24Å; N112-T121 WeakPolarHBondContact OD1-CA 3.32Å; N112-T121 WeakPolarHBondContact OD1-CB 3.17Å; N112-T121 PolarHBondContact OD1-N 3.49Å; N112-T121 PolarHBondContact OD1-O 3.2Å; N112-T121 PolarHBondContact OD1-OG1 2.81Å
113	D	90	Very high	90.3	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	24%	0.243	C	C	.	.			trans	-70.2	162.8	175.4	-155.2	-14.8	0	0	0	111.7	T94 G95 R97 K150	T94-D113 WeakPolarHBondContact CB-O 3.36Å; T94-D113 PolarHBondContact OG1-N 2.93Å; T94-D113 PolarHBondContact OG1-O 3.06Å; G95-D113 PolarHBondContact O-N 3.03Å; R97-D113 HydrophobicContact CG-CB 4.2Å; R97-D113 IonicContact CZ-OD2 2.73Å; R97-D113 VanDerWaalsContact CZ-OD2 3.26Å; R97-D113 IonicContact NE-OD2 3.34Å; R97-D113 PolarHBondContact NE-OD2 2.94Å; R97-D113 IonicContact NH2-OD2 3.28Å; R97-D113 PolarHBondContact NH2-OD2 2.67Å; D113-K150 VanDerWaalsContact CG-CE 3.41Å; D113-K150 WeakPolarHBondContact OD1-CD 3.35Å; D113-K150 VanDerWaalsContact OD1-CE 3.24Å; D113-K150 WeakPolarHBondContact OD1-CE 3.43Å; D113-K150 WeakPolarHBondContact OD1-CG 3.39Å; D113-K150 IonicContact OD1-NZ 3.14Å; D113-K150 WeakPolarHBondContact OD2-CE 3.48Å; D113-K150 IonicContact OD2-NZ 2.61Å; D113-K150 PolarHBondContact OD2-NZ 3.1Å
114	S	87.4	Confident	90.4	Very high	62 Å²	62	35.7 Å²	35.7	43%	0.434	23%	0.23	S	C	.	.			trans	-78.2	145.9	162.3	58.8	0	0	0	0	109.9
115	G	81.1	Confident	90.4	Very high	36 Å²	36	33.6 Å²	33.6	37%	0.371	21%	0.214	S	C	.	.			trans	-123.1	-179.5	174.7	0	0	0	0	0	110.6	S117 N118	G115-S117 PolarHBondContact O-N 3.49Å; G115-N118 PolarHBondContact N-O 3.43Å
116	T	77.5	Confident	90.3	Very high	161 Å²	161	34.8 Å²	34.8	99%	0.988	22%	0.217	S	C	*	.	S	Bend	trans	-58.2	-35.3	-178.8	-46.6	0	0	0	0	113.2
117	S	79.5	Confident	90.1	Very high	104 Å²	104	32.7 Å²	32.7	73%	0.727	21%	0.206	S	C	*	.	S	Bend	trans	-117.5	-6.7	-177.5	63.5	0	0	0	0	114.1	G115	G115-S117 PolarHBondContact O-N 3.49Å
118	N	84.2	Confident	89.5	Confident	61 Å²	61	38.2 Å²	38.2	33%	0.326	23%	0.225	S	C	.	.			trans	-125.5	130.1	-168.8	-63.5	-31.2	0	0	0	109.5	P93 T94 G115	P93-N118 HydrophobicContact CB-CB 4.15Å; P93-N118 WeakPolarHBondContact CB-ND2 3.42Å; P93-N118 PolarHBondContact O-ND2 2.83Å; T94-N118 HydrophobicContact CG2-CB 3.87Å; G115-N118 PolarHBondContact N-O 3.43Å
119	S	87	Confident	88	Confident	75 Å²	75	40.7 Å²	40.7	52%	0.524	24%	0.238	S	C	.	.			trans	-72.2	156.5	173.2	-58.5	0	0	0	0	111.3	N112	N112-S119 PolarHBondContact ND2-O 2.89Å
120	A	92.1	Very high	86.2	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	139.4	166.5	0	0	0	0	0	108.6	N112 M147	N112-A120 WeakPolarHBondContact O-CB 3.22Å; A120-M147 HydrophobicContact CB-CB 3.92Å; A120-M147 WeakPolarHBondContact O-CB 3.26Å; A120-M147 PolarHBondContact O-N 3.39Å
121	T	93.8	Very high	83.8	Confident	12 Å²	12	52.3 Å²	52.3	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.4	-179.7	69.4	0	0	0	0	111.2	G111 N112 K123 Y145 D146	G111-T121 WeakPolarHBondContact CA-O 3.48Å; N112-T121 PolarHBondContact N-O 2.96Å; N112-T121 VanDerWaalsContact N-O 3.15Å; N112-T121 VanDerWaalsContact OD1-CA 3.24Å; N112-T121 WeakPolarHBondContact OD1-CA 3.32Å; N112-T121 WeakPolarHBondContact OD1-CB 3.17Å; N112-T121 PolarHBondContact OD1-N 3.49Å; N112-T121 PolarHBondContact OD1-O 3.2Å; N112-T121 PolarHBondContact OD1-OG1 2.81Å; T121-K123 WeakPolarHBondContact OG1-CE 3.42Å; T121-Y145 CarbonylContact C-O 3.53Å; T121-Y145 VanDerWaalsContact CA-O 3.24Å; T121-Y145 WeakPolarHBondContact CA-O 3.35Å; T121-D146 WeakPolarHBondContact CG2-OD1 3.36Å
122	L	95	Very high	81.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.6	166.8	174.3	65.4	0	0	0	107.9	F109 I124 C144 Y145 M147 M151 I163 T165 F175	F109-L122 HydrophobicContact CB-CD1 3.9Å; F109-L122 HydrophobicContact CD2-CD1 3.7Å; F109-L122 HydrophobicContact CG-CD1 4.04Å; L122-I124 HydrophobicContact CG-CD1 4.13Å; L122-C144 WeakPolarHBondContact O-CA 3.37Å; L122-Y145 HydrophobicContact CB-CD2 4.43Å; L122-Y145 HydrophobicContact CD2-CD2 4.03Å; L122-Y145 HydrophobicContact CG-CD2 4.28Å; L122-Y145 PolarHBondContact N-O 2.98Å; L122-Y145 PolarHBondContact O-N 2.96Å; L122-M147 HydrophobicContact CB-CE 4.41Å; L122-M147 HydrophobicContact CB-CG 4.44Å; L122-M147 HydrophobicContact CB-SD 4.19Å; L122-M151 HydrophobicContact CB-CE 4.43Å; L122-M151 HydrophobicContact CB-SD 3.96Å; L122-M151 HydrophobicContact CD1-CE 3.92Å; L122-I163 HydrophobicContact CD1-CG2 4.36Å; L122-I163 HydrophobicContact CD2-CB 4.46Å; L122-I163 HydrophobicContact CD2-CD1 4.38Å; L122-I163 HydrophobicContact CD2-CG2 4.07Å; L122-T165 HydrophobicContact CD2-CG2 4.26Å; L122-F175 HydrophobicContact CD2-CB 4.49Å; L122-F175 HydrophobicContact CD2-CD1 4.28Å; L122-F175 HydrophobicContact CD2-CD2 3.63Å; L122-F175 HydrophobicContact CD2-CE1 4.49Å; L122-F175 HydrophobicContact CD2-CE2 3.89Å; L122-F175 HydrophobicContact CD2-CG 3.86Å; L122-F175 HydrophobicContact CD2-CZ 4.33Å
123	K	94	Very high	79	Confident	53 Å²	53	58.9 Å²	58.9	23%	0.23	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.2	179.6	-71.2	178.6	-177.9	177.3	0	110.3	F109 V110 T121 F125 P141 L143 C144	F109-K123 CarbonylContact C-O 3.54Å; F109-K123 WeakPolarHBondContact CA-O 3.45Å; V110-K123 PolarHBondContact N-O 3.06Å; V110-K123 PolarHBondContact O-N 3.1Å; T121-K123 WeakPolarHBondContact OG1-CE 3.42Å; K123-F125 HydrophobicContact CB-CD2 4.44Å; K123-F125 HydrophobicContact CB-CE2 3.62Å; K123-F125 HydrophobicContact CB-CZ 4.02Å; K123-F125 HydrophobicContact CD-CZ 4.24Å; K123-P141 HydrophobicContact CB-CB 3.99Å; K123-P141 HydrophobicContact CD-CB 4.38Å; K123-P141 HydrophobicContact CD-CG 4.19Å; K123-P141 HydrophobicContact CG-CB 4.16Å; K123-P141 HydrophobicContact CG-CG 4.26Å; K123-L143 WeakPolarHBondContact CA-O 3.31Å; K123-C144 HydrophobicContact CG-CB 4.33Å
124	I	94	Very high	76.7	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.2	176.2	-58.1	88.6	0	0	0	108.4	L107 F108 F109 L122 P141 S142 L143 Y145 W156 I163 L177	L107-I124 HydrophobicContact CB-CG2 4.36Å; F108-I124 WeakPolarHBondContact O-CA 3.25Å; F109-I124 HydrophobicContact CB-CG1 4.11Å; L122-I124 HydrophobicContact CG-CD1 4.13Å; I124-P141 CarbonylContact O-C 3.49Å; I124-P141 WeakPolarHBondContact O-CA 3.4Å; I124-S142 PolarHBondContact O-N 3.13Å; I124-L143 HydrophobicContact CB-CB 4.2Å; I124-L143 HydrophobicContact CD1-CB 3.87Å; I124-L143 PolarHBondContact N-O 3.45Å; I124-L143 PolarHBondContact O-N 2.95Å; I124-Y145 HydrophobicContact CD1-CD2 3.88Å; I124-Y145 HydrophobicContact CD1-CE2 3.62Å; I124-W156 HydrophobicContact CG2-CH2 4.41Å; I124-I163 HydrophobicContact CD1-CD1 4.12Å; I124-I163 HydrophobicContact CG1-CD1 3.62Å; I124-L177 HydrophobicContact CG1-CD2 4.49Å; I124-L177 HydrophobicContact CG2-CD2 4.26Å
125	F	92.2	Very high	74.7	Confident	11 Å²	11	60.5 Å²	60.5	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.4	-178.6	-63.6	-90.1	0	0	0	110	L90 L107 F108 V110 K123 P141	L90-F125 HydrophobicContact CD1-CD1 4.13Å; L90-F125 HydrophobicContact CD1-CD2 4.06Å; L90-F125 HydrophobicContact CD1-CE1 3.92Å; L90-F125 HydrophobicContact CD1-CE2 3.86Å; L90-F125 HydrophobicContact CD1-CG 4.19Å; L90-F125 HydrophobicContact CD1-CZ 3.78Å; L90-F125 HydrophobicContact CD2-CE1 4.38Å; L107-F125 VanDerWaalsContact CA-O 3.29Å; L107-F125 WeakPolarHBondContact CA-O 3.41Å; F108-F125 HydrophobicContact CD1-CB 3.92Å; F108-F125 HydrophobicContact CD2-CD2 4.31Å; F108-F125 HydrophobicContact CE1-CB 3.41Å; F108-F125 VanDerWaalsContact CE1-CB 3.41Å; F108-F125 HydrophobicContact CE1-CG 4.17Å; F108-F125 HydrophobicContact CE2-CB 4.14Å; F108-F125 AromaticContact CE2-CD2 3.7Å; F108-F125 HydrophobicContact CE2-CD2 3.7Å; F108-F125 HydrophobicContact CE2-CE2 4.45Å; F108-F125 HydrophobicContact CE2-CG 4.14Å; F108-F125 HydrophobicContact CG-CB 4.48Å; F108-F125 HydrophobicContact CZ-CB 3.56Å; F108-F125 AromaticContact CZ-CD2 3.83Å; F108-F125 HydrophobicContact CZ-CD2 3.83Å; F108-F125 AromaticContact CZ-CG 3.78Å; F108-F125 HydrophobicContact CZ-CG 3.78Å; F108-F125 PolarHBondContact N-O 3.02Å; F108-F125 PolarHBondContact O-N 3.36Å; V110-F125 HydrophobicContact CB-CE2 4.14Å; V110-F125 HydrophobicContact CG2-CD2 4.03Å; V110-F125 HydrophobicContact CG2-CE2 3.8Å; K123-F125 HydrophobicContact CB-CD2 4.44Å; K123-F125 HydrophobicContact CB-CE2 3.62Å; K123-F125 HydrophobicContact CB-CZ 4.02Å; K123-F125 HydrophobicContact CD-CZ 4.24Å; F125-P141 HydrophobicContact CD1-CB 4.28Å; F125-P141 HydrophobicContact CE1-CB 3.87Å; F125-P141 HydrophobicContact CZ-CB 3.99Å
126	D	89.9	Confident	73.2	Confident	39 Å²	39	59.3 Å²	59.3	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.8	172.7	-168.3	-23	0	0	0	110.2	L107 R128 S142	L107-D126 HydrophobicContact CD2-CB 3.86Å; D126-R128 VanDerWaalsContact OD1-CB 3.23Å; D126-R128 WeakPolarHBondContact OD1-CB 3.49Å; D126-R128 WeakPolarHBondContact OD1-CG 3.41Å; D126-R128 IonicContact OD1-CZ 3.65Å; D126-R128 PolarHBondContact OD1-N 2.86Å; D126-R128 IonicContact OD1-NE 3.2Å; D126-R128 PolarHBondContact OD1-NE 2.93Å; D126-R128 IonicContact OD1-NH2 2.93Å; D126-R128 IonicContact OD2-CZ 3.09Å; D126-R128 VanDerWaalsContact OD2-CZ 3.28Å; D126-R128 IonicContact OD2-NE 3.89Å; D126-R128 PolarHBondContact OD2-NE 2.94Å; D126-R128 VanDerWaalsContact OD2-NE 3.1Å; D126-R128 IonicContact OD2-NH2 2.95Å; D126-R128 PolarHBondContact OD2-NH2 3.37Å; D126-S142 PolarHBondContact N-OG 3.21Å
127	I	85.2	Confident	72	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.046	33%	0.327	C	S	.	.	S	Bend	trans	-95.2	-4.2	-178.9	52.9	163.8	0	0	0	114.2	L66 L78 G105 N106 F108 D129 R130 L136	L66-I127 HydrophobicContact CD1-CD1 3.38Å; L78-I127 HydrophobicContact CD2-CG2 3.8Å; G105-I127 WeakPolarHBondContact O-CD1 3.46Å; G105-I127 WeakPolarHBondContact O-CG1 3.18Å; N106-I127 WeakPolarHBondContact O-CG1 3.22Å; N106-I127 PolarHBondContact O-N 2.79Å; F108-I127 HydrophobicContact CD1-CG2 3.41Å; F108-I127 VanDerWaalsContact CD1-CG2 3.41Å; F108-I127 HydrophobicContact CE1-CG2 3.31Å; I127-D129 PolarHBondContact O-N 2.89Å; I127-R130 WeakPolarHBondContact O-CB 3.33Å; I127-R130 VanDerWaalsContact O-CG 3.26Å; I127-R130 WeakPolarHBondContact O-CG 3.33Å; I127-R130 PolarHBondContact O-N 3.07Å; I127-L136 HydrophobicContact CB-CD1 4.29Å; I127-L136 HydrophobicContact CG2-CD1 4.15Å; I127-L136 HydrophobicContact CG2-CD2 4.45Å
128	R	81.2	Confident	70.8	Confident	143 Å²	143	57.4 Å²	57.4	54%	0.54	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-62.5	-26.8	173.2	-65.9	174	-72.1	-166.4	0.4	111.7	N106 D126 R130 L131	N106-R128 HydrophobicContact CB-CG 3.86Å; N106-R128 WeakPolarHBondContact OD1-CG 3.34Å; D126-R128 VanDerWaalsContact OD1-CB 3.23Å; D126-R128 WeakPolarHBondContact OD1-CB 3.49Å; D126-R128 WeakPolarHBondContact OD1-CG 3.41Å; D126-R128 IonicContact OD1-CZ 3.65Å; D126-R128 PolarHBondContact OD1-N 2.86Å; D126-R128 IonicContact OD1-NE 3.2Å; D126-R128 PolarHBondContact OD1-NE 2.93Å; D126-R128 IonicContact OD1-NH2 2.93Å; D126-R128 IonicContact OD2-CZ 3.09Å; D126-R128 VanDerWaalsContact OD2-CZ 3.28Å; D126-R128 IonicContact OD2-NE 3.89Å; D126-R128 PolarHBondContact OD2-NE 2.94Å; D126-R128 VanDerWaalsContact OD2-NE 3.1Å; D126-R128 IonicContact OD2-NH2 2.95Å; D126-R128 PolarHBondContact OD2-NH2 3.37Å; R128-R130 PolarHBondContact O-N 2.85Å; R128-L131 PolarHBondContact O-N 3.49Å
129	D	64.1	Low	70.1	Confident	55 Å²	55	56 Å²	56	29%	0.294	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.4	6	179.7	-145	9.4	0	0	0	114.2	I127 L131 T132 G135	I127-D129 PolarHBondContact O-N 2.89Å; D129-L131 PolarHBondContact O-N 2.78Å; D129-T132 PolarHBondContact O-N 3.26Å; D129-T132 PolarHBondContact O-OG1 3.13Å; D129-T132 WeakPolarHBondContact OD1-CG2 3.5Å; D129-T132 PolarHBondContact OD1-OG1 2.61Å; D129-G135 WeakPolarHBondContact OD2-CA 3.28Å; D129-G135 PolarHBondContact OD2-N 3.19Å
130	R	56.7	Low	69.9	Low	85 Å²	85	59.6 Å²	59.6	32%	0.321	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-57.4	-34	167.5	-84.6	178.6	169.1	-169.2	-4.6	113.6	L87 I127 R128 T132 L136	L87-R130 VanDerWaalsContact CB-NH2 3.33Å; I127-R130 WeakPolarHBondContact O-CB 3.33Å; I127-R130 VanDerWaalsContact O-CG 3.26Å; I127-R130 WeakPolarHBondContact O-CG 3.33Å; I127-R130 PolarHBondContact O-N 3.07Å; R128-R130 PolarHBondContact O-N 2.85Å; R130-T132 VanDerWaalsContact C-N 3.34Å; R130-L136 HydrophobicContact CG-CD1 3.56Å
131	L	46.9	Very low	69.7	Low	169 Å²	169	61.1 Å²	61.1	89%	0.885	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-74.9	-22.1	-175.1	-83	153.9	0	0	0	113.3	R128 D129	R128-L131 PolarHBondContact O-N 3.49Å; D129-L131 PolarHBondContact O-N 2.78Å
132	T	44.6	Very low	69.4	Low	88 Å²	88	63.9 Å²	63.9	54%	0.54	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.3	-179.8	76.4	0	0	0	0	112.9	D129 R130 V134	D129-T132 PolarHBondContact O-N 3.26Å; D129-T132 PolarHBondContact O-OG1 3.13Å; D129-T132 WeakPolarHBondContact OD1-CG2 3.5Å; D129-T132 PolarHBondContact OD1-OG1 2.61Å; R130-T132 VanDerWaalsContact C-N 3.34Å; T132-V134 WeakPolarHBondContact O-CG2 3.06Å; T132-V134 PolarHBondContact O-N 2.84Å; T132-V134 PolarHBondContact OG1-N 3.22Å
133	G	43	Very low	69.2	Low	52 Å²	52	67 Å²	67	54%	0.536	38%	0.375	S	S	.	.	S	Bend	trans	69.1	8.9	-173.4	0	0	0	0	0	114.3	A137	G133-A137 WeakPolarHBondContact O-CB 3.42Å
134	V	41.1	Very low	69.1	Low	91 Å²	91	67.5 Å²	67.5	55%	0.552	39%	0.385	S	S	*	.	S	Bend	trans	-102.8	-49.6	-170.1	-169.8	0	0	0	0	114.2	T132	T132-V134 WeakPolarHBondContact O-CG2 3.06Å; T132-V134 PolarHBondContact O-N 2.84Å; T132-V134 PolarHBondContact OG1-N 3.22Å
135	G	46	Very low	69	Low	23 Å²	23	68.6 Å²	68.6	24%	0.237	39%	0.389	C	S	.	.	S	Bend	trans	-90.4	-36.8	-170.6	0	0	0	0	0	115.8	D129 A137 Q138	D129-G135 WeakPolarHBondContact OD2-CA 3.28Å; D129-G135 PolarHBondContact OD2-N 3.19Å; G135-A137 VanDerWaalsContact C-N 3.33Å; G135-Q138 PolarHBondContact O-N 3.02Å
136	L	50.1	Low	69	Low	11 Å²	11	74.2 Å²	74.2	6%	0.058	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-70.1	-31.8	172.9	-88.4	171.3	0	0	0	112.1	Q88 I127 R130 Q138 G139	Q88-L136 PolarHBondContact NE2-O 2.9Å; I127-L136 HydrophobicContact CB-CD1 4.29Å; I127-L136 HydrophobicContact CG2-CD1 4.15Å; I127-L136 HydrophobicContact CG2-CD2 4.45Å; R130-L136 HydrophobicContact CG-CD1 3.56Å; L136-Q138 PolarHBondContact O-N 2.95Å; L136-G139 PolarHBondContact O-N 3.46Å
137	A	51.1	Low	68.9	Low	83 Å²	83	73.5 Å²	73.5	69%	0.686	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-59.1	-20.9	178	0	0	0	0	0	113.1	G133 G135	G133-A137 WeakPolarHBondContact O-CB 3.42Å; G135-A137 VanDerWaalsContact C-N 3.33Å
138	Q	54.3	Low	68.9	Low	142 Å²	142	82.7 Å²	82.7	66%	0.664	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-88.2	-9.5	175.2	-64.3	-174	3.7	0	0	113.9	G135 L136 K140	G135-Q138 PolarHBondContact O-N 3.02Å; L136-Q138 PolarHBondContact O-N 2.95Å; Q138-K140 HydrophobicContact CB-CB 4.44Å; Q138-K140 PolarHBondContact O-N 3.24Å; Q138-K140 VanDerWaalsContact O-N 3.13Å
139	G	69.4	Low	69.2	Low	31 Å²	31	77.6 Å²	77.6	32%	0.32	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	22.3	-176.6	0	0	0	0	0	113.7	L136	L136-G139 PolarHBondContact O-N 3.46Å
140	K	82.4	Confident	70.5	Confident	151 Å²	151	77 Å²	77	66%	0.657	44%	0.438	S	S	*	.			trans	-85.8	127.7	-177.4	-171.4	180	177.7	-176.7	0	109.9	Q138	Q138-K140 HydrophobicContact CB-CB 4.44Å; Q138-K140 PolarHBondContact O-N 3.24Å; Q138-K140 VanDerWaalsContact O-N 3.13Å
141	P	87.8	Confident	72.2	Confident	33 Å²	33	73.1 Å²	73.1	21%	0.214	42%	0.423	C	S	.	.			trans	-71.7	144.8	176.3	30.4	-35	0	0	0	111.3	K123 I124 F125 C144	K123-P141 HydrophobicContact CB-CB 3.99Å; K123-P141 HydrophobicContact CD-CB 4.38Å; K123-P141 HydrophobicContact CD-CG 4.19Å; K123-P141 HydrophobicContact CG-CB 4.16Å; K123-P141 HydrophobicContact CG-CG 4.26Å; I124-P141 CarbonylContact O-C 3.49Å; I124-P141 WeakPolarHBondContact O-CA 3.4Å; F125-P141 HydrophobicContact CD1-CB 4.28Å; F125-P141 HydrophobicContact CE1-CB 3.87Å; F125-P141 HydrophobicContact CZ-CB 3.99Å; P141-C144 HydrophobicContact CG-CB 4.22Å
142	S	88.7	Confident	74.5	Confident	70 Å²	70	65.9 Å²	65.9	49%	0.49	39%	0.387	S	S	.	.	S	Bend	trans	-69.2	-39.9	172.1	-54.5	0	0	0	0	111.1	I124 D126	I124-S142 PolarHBondContact O-N 3.13Å; D126-S142 PolarHBondContact N-OG 3.21Å
143	L	90.8	Very high	77	Confident	66 Å²	66	62 Å²	62	35%	0.346	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.5	175.1	-63.6	170.1	0	0	0	109.4	K123 I124 Y145 L177	K123-L143 WeakPolarHBondContact CA-O 3.31Å; I124-L143 HydrophobicContact CB-CB 4.2Å; I124-L143 HydrophobicContact CD1-CB 3.87Å; I124-L143 PolarHBondContact N-O 3.45Å; I124-L143 PolarHBondContact O-N 2.95Å; L143-Y145 HydrophobicContact CB-CE2 4.37Å; L143-L177 HydrophobicContact CD1-CB 4.46Å; L143-L177 HydrophobicContact CD1-CD2 4.19Å; L143-L177 HydrophobicContact CD1-CG 4.01Å
144	C	91.6	Very high	79.6	Confident	63 Å²	63	60.2 Å²	60.2	43%	0.426	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	123.1	179	-173.3	0	0	0	0	109.2	L122 K123 P141	L122-C144 WeakPolarHBondContact O-CA 3.37Å; K123-C144 HydrophobicContact CG-CB 4.33Å; P141-C144 HydrophobicContact CG-CB 4.22Å
145	Y	92.9	Very high	82.2	Confident	26 Å²	26	57.1 Å²	57.1	10%	0.102	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	176	-54.8	-67.5	0	0	0	109.6	T121 L122 I124 L143 F175 G181	T121-Y145 CarbonylContact C-O 3.53Å; T121-Y145 VanDerWaalsContact CA-O 3.24Å; T121-Y145 WeakPolarHBondContact CA-O 3.35Å; L122-Y145 HydrophobicContact CB-CD2 4.43Å; L122-Y145 HydrophobicContact CD2-CD2 4.03Å; L122-Y145 HydrophobicContact CG-CD2 4.28Å; L122-Y145 PolarHBondContact N-O 2.98Å; L122-Y145 PolarHBondContact O-N 2.96Å; I124-Y145 HydrophobicContact CD1-CD2 3.88Å; I124-Y145 HydrophobicContact CD1-CE2 3.62Å; L143-Y145 HydrophobicContact CB-CE2 4.37Å; Y145-F175 AromaticContact CD2-CD1 3.89Å; Y145-F175 HydrophobicContact CD2-CD1 3.89Å; Y145-F175 HydrophobicContact CD2-CE1 4.32Å; Y145-F175 HydrophobicContact CE2-CD1 4.16Å; Y145-F175 HydrophobicContact CG-CD1 4.05Å; Y145-F175 HydrophobicContact CG-CE1 4.14Å; Y145-G181 WeakPolarHBondContact CE1-O 3.28Å
146	D	90.6	Very high	84.6	Confident	128 Å²	128	56.6 Å²	56.6	68%	0.684	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.2	170.2	-65.9	-42.9	0	0	0	109.3	T121	T121-D146 WeakPolarHBondContact CG2-OD1 3.36Å
147	M	88.9	Confident	86.8	Confident	24 Å²	24	56.1 Å²	56.1	12%	0.118	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.4	-175.5	-55	-66	-96.7	0	0	109.8	A120 L122 T149 M151 T165 F175	A120-M147 HydrophobicContact CB-CB 3.92Å; A120-M147 WeakPolarHBondContact O-CB 3.26Å; A120-M147 PolarHBondContact O-N 3.39Å; L122-M147 HydrophobicContact CB-CE 4.41Å; L122-M147 HydrophobicContact CB-CG 4.44Å; L122-M147 HydrophobicContact CB-SD 4.19Å; M147-T149 VanDerWaalsContact C-N 3.34Å; M147-T149 WeakPolarHBondContact CB-O 3.41Å; M147-M151 HydrophobicContact CE-CG 3.48Å; M147-M151 VanDerWaalsContact CE-CG 3.48Å; M147-M151 HydrophobicContact CE-SD 3.3Å; M147-M151 WeakPolarHBondContact CE-SD 3.15Å; M147-M151 HydrophobicContact CG-CG 4.21Å; M147-M151 HydrophobicContact CG-SD 3.73Å; M147-M151 HydrophobicContact SD-SD 4.21Å; M147-T165 HydrophobicContact CE-CG2 4.33Å; M147-F175 HydrophobicContact CE-CE2 3.57Å; M147-F175 HydrophobicContact CE-CZ 3.39Å; M147-F175 HydrophobicContact SD-CE1 4.09Å; M147-F175 HydrophobicContact SD-CE2 4.21Å; M147-F175 HydrophobicContact SD-CZ 3.43Å; M147-F175 WeakPolarHBondContact SD-CZ 3.18Å
148	E	84.5	Confident	88.7	Confident	202 Å²	202	55.3 Å²	55.3	94%	0.944	29%	0.292	S	S	*	.	S	Bend	trans	-71.8	-31.4	176.3	-63.3	-175.9	173	0	0	112.3
149	T	87.6	Confident	90.4	Very high	37 Å²	37	55 Å²	55	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	-122.8	160.5	-178.6	54.6	0	0	0	0	110.9	M147 M151 S167 K169	M147-T149 VanDerWaalsContact C-N 3.34Å; M147-T149 WeakPolarHBondContact CB-O 3.41Å; T149-M151 PolarHBondContact O-N 2.99Å; T149-S167 VanDerWaalsContact OG1-CB 3.24Å; T149-S167 WeakPolarHBondContact OG1-CB 3.47Å; T149-K169 HydrophobicContact CG2-CB 4.23Å; T149-K169 HydrophobicContact CG2-CG 3.8Å
150	K	91	Very high	91.5	Very high	43 Å²	43	55.5 Å²	55.5	19%	0.187	28%	0.281	C	S	.	.			trans	-69.6	130.4	177.4	160.9	-173.2	-175.5	157.4	0	108.8	D113 S167 D168	D113-K150 VanDerWaalsContact CG-CE 3.41Å; D113-K150 WeakPolarHBondContact OD1-CD 3.35Å; D113-K150 VanDerWaalsContact OD1-CE 3.24Å; D113-K150 WeakPolarHBondContact OD1-CE 3.43Å; D113-K150 WeakPolarHBondContact OD1-CG 3.39Å; D113-K150 IonicContact OD1-NZ 3.14Å; D113-K150 WeakPolarHBondContact OD2-CE 3.48Å; D113-K150 IonicContact OD2-NZ 2.61Å; D113-K150 PolarHBondContact OD2-NZ 3.1Å; K150-S167 CarbonylContact O-C 3.58Å; K150-S167 WeakPolarHBondContact O-CA 3.4Å; K150-S167 WeakPolarHBondContact O-CB 3.5Å; K150-D168 HydrophobicContact CB-CB 4.1Å; K150-D168 HydrophobicContact CD-CB 4.01Å; K150-D168 HydrophobicContact CG-CB 4.21Å; K150-D168 PolarHBondContact N-OD1 2.97Å; K150-D168 PolarHBondContact O-N 3.18Å
151	M	93.1	Very high	91.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	169.8	-64.8	165.9	47.9	0	0	110.9	R97 T98 G111 L122 M147 T149 T165 G166	R97-M151 WeakPolarHBondContact CB-O 3.49Å; T98-M151 HydrophobicContact CG2-CE 3.44Å; T98-M151 VanDerWaalsContact CG2-CE 3.44Å; G111-M151 VanDerWaalsContact CA-CE 3.46Å; L122-M151 HydrophobicContact CB-CE 4.43Å; L122-M151 HydrophobicContact CB-SD 3.96Å; L122-M151 HydrophobicContact CD1-CE 3.92Å; M147-M151 HydrophobicContact CE-CG 3.48Å; M147-M151 VanDerWaalsContact CE-CG 3.48Å; M147-M151 HydrophobicContact CE-SD 3.3Å; M147-M151 WeakPolarHBondContact CE-SD 3.15Å; M147-M151 HydrophobicContact CG-CG 4.21Å; M147-M151 HydrophobicContact CG-SD 3.73Å; M147-M151 HydrophobicContact SD-SD 4.21Å; T149-M151 PolarHBondContact O-N 2.99Å; M151-T165 HydrophobicContact CE-CG2 3.69Å; M151-T165 HydrophobicContact SD-CG2 4.37Å; M151-G166 WeakPolarHBondContact CA-O 3.18Å
152	S	95.1	Very high	92.3	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-33.6	177.5	41.4	0	0	0	0	112.2	G166 E193 V194	S152-G166 PolarHBondContact N-O 3.4Å; S152-G166 PolarHBondContact OG-O 2.66Å; S152-G166 VanDerWaalsContact OG-O 3.07Å; S152-E193 WeakPolarHBondContact CB-OE1 3.2Å; S152-V194 VanDerWaalsContact CB-O 3.26Å; S152-V194 WeakPolarHBondContact CB-O 3.07Å; S152-V194 PolarHBondContact OG-O 2.99Å
153	C	96.8	Very high	92.7	Very high	6 Å²	6	45 Å²	45	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.6	178.4	58.5	0	0	0	0	111.4	T165 G166 V194	C153-T165 CarbonylContact O-C 3.52Å; C153-T165 WeakPolarHBondContact O-CA 3.35Å; C153-G166 PolarHBondContact N-O 3.34Å; C153-G166 PolarHBondContact O-N 3.01Å; C153-V194 PolarHBondContact SG-O 2.93Å
154	G	97.1	Very high	93.1	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	161.1	173.6	0	0	0	0	0	112.6	T98 V164	T98-G154 PolarHBondContact OG1-N 3.4Å; T98-G154 PolarHBondContact OG1-O 3.19Å; G154-V164 CarbonylContact C-O 3.47Å; G154-V164 WeakPolarHBondContact CA-O 3.35Å
155	L	97	Very high	93.3	Very high	25 Å²	25	39 Å²	39	13%	0.131	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.6	177.6	59.5	77.8	0	0	0	111.9	A157 I163 V164 L197 M199	L155-A157 HydrophobicContact CD1-CB 4.07Å; L155-I163 WeakPolarHBondContact O-CA 3.19Å; L155-V164 HydrophobicContact CD1-CB 4.21Å; L155-V164 PolarHBondContact N-O 3.33Å; L155-V164 PolarHBondContact O-N 2.73Å; L155-L197 HydrophobicContact CD2-CB 3.51Å; L155-L197 HydrophobicContact CG-CB 4.06Å; L155-M199 HydrophobicContact CD2-CB 4.4Å
156	W	96.9	Very high	93.5	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.1	165.4	-74.7	99.5	0	0	0	110.6	G100 I101 F103 L107 F109 I124 D160 V162 I163 L177	G100-W156 PolarHBondContact O-NE1 2.98Å; I101-W156 VanDerWaalsContact C-NE1 3.29Å; F103-W156 HydrophobicContact CD2-CB 4.28Å; F103-W156 HydrophobicContact CE2-CB 4.04Å; L107-W156 HydrophobicContact CB-CH2 3.96Å; L107-W156 HydrophobicContact CB-CZ2 3.87Å; L107-W156 HydrophobicContact CD1-CH2 4Å; F109-W156 AromaticContact CD1-CD1 3.77Å; F109-W156 HydrophobicContact CD1-CD2 4.31Å; F109-W156 AromaticContact CD1-CE2 3.67Å; F109-W156 HydrophobicContact CD1-CG 4.37Å; F109-W156 HydrophobicContact CD1-CZ2 4.15Å; F109-W156 AromaticContact CD1-NE1 3.28Å; F109-W156 VanDerWaalsContact CD1-NE1 3.28Å; F109-W156 AromaticContact CE1-CD1 3.59Å; F109-W156 HydrophobicContact CE1-CG 4.21Å; F109-W156 AromaticContact CE1-NE1 3.61Å; I124-W156 HydrophobicContact CG2-CH2 4.41Å; W156-D160 WeakPolarHBondContact CZ3-O 3.42Å; W156-V162 CarbonylContact C-O 3.55Å; W156-V162 WeakPolarHBondContact CA-O 3.45Å; W156-I163 HydrophobicContact CD2-CG1 4.06Å; W156-I163 HydrophobicContact CE3-CG1 3.77Å; W156-I163 HydrophobicContact CH2-CD1 3.89Å; W156-I163 HydrophobicContact CH2-CG1 4.02Å; W156-I163 HydrophobicContact CZ2-CD1 4.07Å; W156-I163 HydrophobicContact CZ2-CG1 4.28Å; W156-I163 HydrophobicContact CZ3-CD1 4.12Å; W156-I163 HydrophobicContact CZ3-CG1 3.73Å; W156-L177 HydrophobicContact CH2-CD2 3.75Å; W156-L177 HydrophobicContact CZ3-CD1 4.27Å; W156-L177 HydrophobicContact CZ3-CD2 3.91Å
157	A	94.9	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.2	177.5	0	0	0	0	0	109.3	L155 Y159 V162 V164 M199 I206	L155-A157 HydrophobicContact CD1-CB 4.07Å; A157-Y159 PolarHBondContact O-N 2.94Å; A157-V162 HydrophobicContact CB-CB 4.04Å; A157-V162 HydrophobicContact CB-CG1 4.04Å; A157-V162 PolarHBondContact N-O 3.22Å; A157-V162 WeakPolarHBondContact O-CA 3.47Å; A157-V162 WeakPolarHBondContact O-CB 3.41Å; A157-V162 PolarHBondContact O-N 3.49Å; A157-V162 VanDerWaalsContact O-N 3.09Å; A157-V164 HydrophobicContact CB-CG2 4.01Å; A157-M199 HydrophobicContact CB-CE 3.37Å; A157-M199 HydrophobicContact CB-SD 4.08Å; A157-I206 HydrophobicContact CB-CD1 4.34Å
158	R	91.4	Very high	94.1	Very high	66 Å²	66	32.5 Å²	32.5	25%	0.249	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	48.2	-175.4	-53.7	-170.5	-165.5	150.8	1.7	112.2	D160 D161 V162 D176 R221	R158-D160 PolarHBondContact O-N 3.16Å; R158-D161 PolarHBondContact O-N 2.85Å; R158-V162 HydrophobicContact CB-CB 4.49Å; R158-V162 HydrophobicContact CB-CG2 4.2Å; R158-V162 HydrophobicContact CG-CG2 4.25Å; R158-D176 IonicContact NH1-OD2 3.52Å; R158-R221 PolarHBondContact NH2-O 3.37Å
159	Y	89.8	Confident	94.6	Very high	136 Å²	136	28 Å²	28	53%	0.533	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-110.8	-177.2	-46.8	-83.3	0	0	0	112.1	F103 A157	F103-Y159 HydrophobicContact CB-CD1 4.5Å; F103-Y159 HydrophobicContact CD1-CD1 4.39Å; F103-Y159 VanDerWaalsContact CD2-CA 3.42Å; F103-Y159 VanDerWaalsContact CD2-O 3.23Å; F103-Y159 WeakPolarHBondContact CD2-O 3.37Å; F103-Y159 HydrophobicContact CG-CD1 4.31Å; A157-Y159 PolarHBondContact O-N 2.94Å
160	D	92.2	Very high	95	Very high	41 Å²	41	26.2 Å²	26.2	22%	0.219	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	5.4	-173.3	-60.2	-30	0	0	0	113.1	S102 F103 S104 W156 R158	S102-D160 WeakPolarHBondContact CB-OD1 3.37Å; S102-D160 PolarHBondContact OG-OD1 3.34Å; F103-D160 PolarHBondContact N-OD1 2.99Å; S104-D160 WeakPolarHBondContact CB-OD2 3.34Å; S104-D160 PolarHBondContact N-OD1 2.83Å; S104-D160 PolarHBondContact N-OD2 3.09Å; S104-D160 VanDerWaalsContact OG-CG 3.27Å; S104-D160 PolarHBondContact OG-OD1 2.87Å; S104-D160 PolarHBondContact OG-OD2 2.77Å; W156-D160 WeakPolarHBondContact CZ3-O 3.42Å; R158-D160 PolarHBondContact O-N 3.16Å
161	D	92.4	Very high	95.3	Very high	34 Å²	34	25 Å²	25	18%	0.182	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-31.6	-167.6	-59.5	-47.8	0	0	0	113.3	R158 L177 R178	R158-D161 PolarHBondContact O-N 2.85Å; D161-L177 WeakPolarHBondContact O-CB 3.48Å; D161-L177 WeakPolarHBondContact O-CD1 3.42Å; D161-L177 PolarHBondContact O-N 2.86Å; D161-R178 IonicContact OD1-CZ 2.97Å; D161-R178 IonicContact OD1-NE 3.74Å; D161-R178 PolarHBondContact OD1-NE 2.91Å; D161-R178 IonicContact OD1-NH2 3.7Å; D161-R178 PolarHBondContact OD1-NH2 2.77Å; D161-R178 IonicContact OD2-CZ 3.86Å; D161-R178 IonicContact OD2-NE 3.1Å; D161-R178 IonicContact OD2-NH1 2.75Å; D161-R178 IonicContact OD2-NH2 2.75Å; D161-R178 PolarHBondContact OD2-NH2 3.4Å
162	V	95.9	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	-169	-179.9	0	0	0	0	110.6	W156 A157 R158 V164 M174 F175 D176	W156-V162 CarbonylContact C-O 3.55Å; W156-V162 WeakPolarHBondContact CA-O 3.45Å; A157-V162 HydrophobicContact CB-CB 4.04Å; A157-V162 HydrophobicContact CB-CG1 4.04Å; A157-V162 PolarHBondContact N-O 3.22Å; A157-V162 WeakPolarHBondContact O-CA 3.47Å; A157-V162 WeakPolarHBondContact O-CB 3.41Å; A157-V162 PolarHBondContact O-N 3.49Å; A157-V162 VanDerWaalsContact O-N 3.09Å; R158-V162 HydrophobicContact CB-CB 4.49Å; R158-V162 HydrophobicContact CB-CG2 4.2Å; R158-V162 HydrophobicContact CG-CG2 4.25Å; V162-V164 HydrophobicContact CG1-CG2 4.04Å; V162-M174 HydrophobicContact CG1-CE 4.33Å; V162-M174 HydrophobicContact CG1-CG 3.31Å; V162-M174 HydrophobicContact CG1-SD 3.9Å; V162-F175 CarbonylContact C-O 3.55Å; V162-F175 VanDerWaalsContact CA-O 3.24Å; V162-F175 WeakPolarHBondContact CA-O 3.49Å; V162-D176 HydrophobicContact CG2-CB 4.39Å
163	I	97	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.5	166.9	-61.4	169	0	0	0	107.9	F109 L122 I124 L155 W156 T165 M174 F175 L177	F109-I163 HydrophobicContact CB-CD1 3.66Å; F109-I163 HydrophobicContact CD1-CD1 3.84Å; F109-I163 HydrophobicContact CD1-CG1 4.03Å; F109-I163 HydrophobicContact CD1-CG2 4.12Å; F109-I163 HydrophobicContact CE1-CG2 4.22Å; F109-I163 HydrophobicContact CG-CD1 3.93Å; F109-I163 HydrophobicContact CG-CG2 4.34Å; L122-I163 HydrophobicContact CD1-CG2 4.36Å; L122-I163 HydrophobicContact CD2-CB 4.46Å; L122-I163 HydrophobicContact CD2-CD1 4.38Å; L122-I163 HydrophobicContact CD2-CG2 4.07Å; I124-I163 HydrophobicContact CD1-CD1 4.12Å; I124-I163 HydrophobicContact CG1-CD1 3.62Å; L155-I163 WeakPolarHBondContact O-CA 3.19Å; W156-I163 HydrophobicContact CD2-CG1 4.06Å; W156-I163 HydrophobicContact CE3-CG1 3.77Å; W156-I163 HydrophobicContact CH2-CD1 3.89Å; W156-I163 HydrophobicContact CH2-CG1 4.02Å; W156-I163 HydrophobicContact CZ2-CD1 4.07Å; W156-I163 HydrophobicContact CZ2-CG1 4.28Å; W156-I163 HydrophobicContact CZ3-CD1 4.12Å; W156-I163 HydrophobicContact CZ3-CG1 3.73Å; I163-T165 HydrophobicContact CG2-CG2 3.9Å; I163-M174 CarbonylContact O-C 3.6Å; I163-M174 WeakPolarHBondContact O-CA 3.39Å; I163-F175 HydrophobicContact CB-CB 4.44Å; I163-F175 PolarHBondContact N-O 2.59Å; I163-F175 PolarHBondContact O-N 3.42Å; I163-L177 HydrophobicContact CD1-CD1 3.96Å; I163-L177 HydrophobicContact CG1-CD1 3.96Å
164	V	97.6	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	172.6	-178.4	0	0	0	0	108.8	G154 L155 A157 V162 V172 V173 M174 L197 I206	G154-V164 CarbonylContact C-O 3.47Å; G154-V164 WeakPolarHBondContact CA-O 3.35Å; L155-V164 HydrophobicContact CD1-CB 4.21Å; L155-V164 PolarHBondContact N-O 3.33Å; L155-V164 PolarHBondContact O-N 2.73Å; A157-V164 HydrophobicContact CB-CG2 4.01Å; V162-V164 HydrophobicContact CG1-CG2 4.04Å; V164-V172 HydrophobicContact CG1-CG1 3.64Å; V164-V173 CarbonylContact C-O 3.55Å; V164-V173 VanDerWaalsContact CA-O 3.31Å; V164-V173 WeakPolarHBondContact CA-O 3.32Å; V164-M174 HydrophobicContact CG2-CB 4.35Å; V164-M174 HydrophobicContact CG2-CE 4.02Å; V164-M174 HydrophobicContact CG2-CG 4.15Å; V164-L197 HydrophobicContact CG1-CD1 4.12Å; V164-I206 HydrophobicContact CB-CD1 4.17Å; V164-I206 HydrophobicContact CG1-CD1 4.22Å; V164-I206 HydrophobicContact CG2-CD1 3.65Å
165	T	97.4	Very high	95.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.1	-176.4	67.2	0	0	0	0	110.9	L122 M147 M151 C153 I163 V172 V173 F175	L122-T165 HydrophobicContact CD2-CG2 4.26Å; M147-T165 HydrophobicContact CE-CG2 4.33Å; M151-T165 HydrophobicContact CE-CG2 3.69Å; M151-T165 HydrophobicContact SD-CG2 4.37Å; C153-T165 CarbonylContact O-C 3.52Å; C153-T165 WeakPolarHBondContact O-CA 3.35Å; I163-T165 HydrophobicContact CG2-CG2 3.9Å; T165-V172 WeakPolarHBondContact O-CA 3.47Å; T165-V173 PolarHBondContact N-O 3.2Å; T165-V173 PolarHBondContact O-N 2.95Å; T165-F175 HydrophobicContact CG2-CD2 4.35Å; T165-F175 HydrophobicContact CG2-CE2 4.1Å
166	G	97.2	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.6	170	0	0	0	0	0	111	M151 S152 C153 D171	M151-G166 WeakPolarHBondContact CA-O 3.18Å; S152-G166 PolarHBondContact N-O 3.4Å; S152-G166 PolarHBondContact OG-O 2.66Å; S152-G166 VanDerWaalsContact OG-O 3.07Å; C153-G166 PolarHBondContact N-O 3.34Å; C153-G166 PolarHBondContact O-N 3.01Å; G166-D171 CarbonylContact C-O 3.46Å; G166-D171 WeakPolarHBondContact CA-O 3.31Å
167	S	95.9	Very high	95.1	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	163.9	-179	86	0	0	0	0	114.3	T149 K150 K169 G170 D171 E193 V194	T149-S167 VanDerWaalsContact OG1-CB 3.24Å; T149-S167 WeakPolarHBondContact OG1-CB 3.47Å; K150-S167 CarbonylContact O-C 3.58Å; K150-S167 WeakPolarHBondContact O-CA 3.4Å; K150-S167 WeakPolarHBondContact O-CB 3.5Å; S167-K169 PolarHBondContact O-N 3.14Å; S167-K169 PolarHBondContact OG-N 3.36Å; S167-K169 VanDerWaalsContact OG-N 3.12Å; S167-G170 PolarHBondContact O-N 2.88Å; S167-G170 PolarHBondContact OG-N 3Å; S167-D171 PolarHBondContact N-O 2.61Å; S167-D171 WeakPolarHBondContact OG-CB 3.42Å; S167-D171 PolarHBondContact OG-N 2.84Å; S167-D171 PolarHBondContact OG-OD2 3.4Å; S167-E193 WeakPolarHBondContact O-CA 3.31Å; S167-V194 PolarHBondContact O-N 3.07Å
168	D	94.9	Very high	94.9	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.214	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17	170.9	80.6	-51	0	0	0	113.9	K150 E193	K150-D168 HydrophobicContact CB-CB 4.1Å; K150-D168 HydrophobicContact CD-CB 4.01Å; K150-D168 HydrophobicContact CG-CB 4.21Å; K150-D168 PolarHBondContact N-OD1 2.97Å; K150-D168 PolarHBondContact O-N 3.18Å; D168-E193 HydrophobicContact CB-CG 4.41Å; D168-E193 WeakPolarHBondContact O-CA 3.45Å; D168-E193 PolarHBondContact O-N 3.24Å
169	K	95.6	Very high	94.7	Very high	107 Å²	107	35.5 Å²	35.5	47%	0.465	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.4	178.3	-59.4	-50.9	-175.5	-128.9	0	114.2	T149 S167 K188	T149-K169 HydrophobicContact CG2-CB 4.23Å; T149-K169 HydrophobicContact CG2-CG 3.8Å; S167-K169 PolarHBondContact O-N 3.14Å; S167-K169 PolarHBondContact OG-N 3.36Å; S167-K169 VanDerWaalsContact OG-N 3.12Å; K169-K188 WeakPolarHBondContact O-CE 3.44Å; K169-K188 PolarHBondContact O-NZ 2.86Å
170	G	96.3	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	86.7	14.3	177.9	0	0	0	0	0	114.7	S167 H190 R192	S167-G170 PolarHBondContact O-N 2.88Å; S167-G170 PolarHBondContact OG-N 3Å; G170-H190 WeakPolarHBondContact CA-O 3.49Å; G170-H190 PolarHBondContact O-N 3.09Å; G170-H190 VanDerWaalsContact O-N 3.12Å; G170-R192 WeakPolarHBondContact CA-O 3.48Å; G170-R192 PolarHBondContact N-O 3.45Å
171	D	96.5	Very high	93.6	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.9	175.7	-38	-63.1	0	0	0	109.7	G166 S167 V173 V187 K188	G166-D171 CarbonylContact C-O 3.46Å; G166-D171 WeakPolarHBondContact CA-O 3.31Å; S167-D171 PolarHBondContact N-O 2.61Å; S167-D171 WeakPolarHBondContact OG-CB 3.42Å; S167-D171 PolarHBondContact OG-N 2.84Å; S167-D171 PolarHBondContact OG-OD2 3.4Å; D171-V173 HydrophobicContact CB-CG2 4.22Å; D171-V187 CarbonylContact C-O 3.55Å; D171-V187 WeakPolarHBondContact CA-O 3.39Å; D171-K188 WeakPolarHBondContact OD1-CB 3.44Å; D171-K188 WeakPolarHBondContact OD1-CD 3.21Å; D171-K188 WeakPolarHBondContact OD1-CG 3.06Å; D171-K188 IonicContact OD1-NZ 2.67Å; D171-K188 PolarHBondContact OD1-NZ 3.12Å; D171-K188 IonicContact OD2-NZ 3.84Å
172	V	97.5	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.9	168.5	179.6	0	0	0	0	107.1	V164 T165 V187 V194 F218 L223	V164-V172 HydrophobicContact CG1-CG1 3.64Å; T165-V172 WeakPolarHBondContact O-CA 3.47Å; V172-V187 HydrophobicContact CB-CG2 3.98Å; V172-V187 PolarHBondContact N-O 2.87Å; V172-V187 PolarHBondContact O-N 2.82Å; V172-V194 HydrophobicContact CG2-CG2 4.28Å; V172-F218 HydrophobicContact CG2-CZ 4.19Å; V172-L223 HydrophobicContact CG1-CD1 4.37Å; V172-L223 HydrophobicContact CG1-CD2 4.03Å
173	V	96.5	Very high	93	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.4	-170.4	-170.7	0	0	0	0	109.5	V164 T165 D171 F175 P183	V164-V173 CarbonylContact C-O 3.55Å; V164-V173 VanDerWaalsContact CA-O 3.31Å; V164-V173 WeakPolarHBondContact CA-O 3.32Å; T165-V173 PolarHBondContact N-O 3.2Å; T165-V173 PolarHBondContact O-N 2.95Å; D171-V173 HydrophobicContact CB-CG2 4.22Å; V173-F175 HydrophobicContact CB-CE2 3.95Å; V173-F175 HydrophobicContact CB-CZ 4.34Å; V173-F175 HydrophobicContact CG1-CD2 4.33Å; V173-F175 HydrophobicContact CG1-CE1 4.4Å; V173-F175 HydrophobicContact CG1-CE2 3.5Å; V173-F175 VanDerWaalsContact CG1-CE2 3.5Å; V173-F175 HydrophobicContact CG1-CZ 3.51Å; V173-P183 HydrophobicContact CG1-CB 3.33Å; V173-P183 HydrophobicContact CG1-CG 4.29Å
174	M	96.2	Very high	92.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	178.8	-175.8	178.9	-73.4	0	0	110.1	V162 I163 V164 P183 S184 Q185 A220 L223	V162-M174 HydrophobicContact CG1-CE 4.33Å; V162-M174 HydrophobicContact CG1-CG 3.31Å; V162-M174 HydrophobicContact CG1-SD 3.9Å; I163-M174 CarbonylContact O-C 3.6Å; I163-M174 WeakPolarHBondContact O-CA 3.39Å; V164-M174 HydrophobicContact CG2-CB 4.35Å; V164-M174 HydrophobicContact CG2-CE 4.02Å; V164-M174 HydrophobicContact CG2-CG 4.15Å; M174-P183 CarbonylContact O-C 3.51Å; M174-P183 WeakPolarHBondContact O-CA 3.5Å; M174-S184 PolarHBondContact O-N 3.48Å; M174-S184 PolarHBondContact O-OG 2.92Å; M174-S184 VanDerWaalsContact O-OG 3.1Å; M174-Q185 HydrophobicContact CB-CB 4.18Å; M174-Q185 PolarHBondContact N-O 3.32Å; M174-Q185 PolarHBondContact O-N 2.97Å; M174-A220 WeakPolarHBondContact CE-O 3.31Å; M174-L223 HydrophobicContact CB-CD1 3.82Å; M174-L223 HydrophobicContact CB-CG 4.38Å; M174-L223 HydrophobicContact CE-CD1 4.43Å; M174-L223 HydrophobicContact CE-CD2 3.73Å; M174-L223 HydrophobicContact CE-CG 3.73Å
175	F	95.7	Very high	92.6	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.2	175.6	-61	-92.1	0	0	0	107.8	L122 Y145 M147 V162 I163 T165 V173 P183	L122-F175 HydrophobicContact CD2-CB 4.49Å; L122-F175 HydrophobicContact CD2-CD1 4.28Å; L122-F175 HydrophobicContact CD2-CD2 3.63Å; L122-F175 HydrophobicContact CD2-CE1 4.49Å; L122-F175 HydrophobicContact CD2-CE2 3.89Å; L122-F175 HydrophobicContact CD2-CG 3.86Å; L122-F175 HydrophobicContact CD2-CZ 4.33Å; Y145-F175 AromaticContact CD2-CD1 3.89Å; Y145-F175 HydrophobicContact CD2-CD1 3.89Å; Y145-F175 HydrophobicContact CD2-CE1 4.32Å; Y145-F175 HydrophobicContact CE2-CD1 4.16Å; Y145-F175 HydrophobicContact CG-CD1 4.05Å; Y145-F175 HydrophobicContact CG-CE1 4.14Å; M147-F175 HydrophobicContact CE-CE2 3.57Å; M147-F175 HydrophobicContact CE-CZ 3.39Å; M147-F175 HydrophobicContact SD-CE1 4.09Å; M147-F175 HydrophobicContact SD-CE2 4.21Å; M147-F175 HydrophobicContact SD-CZ 3.43Å; M147-F175 WeakPolarHBondContact SD-CZ 3.18Å; V162-F175 CarbonylContact C-O 3.55Å; V162-F175 VanDerWaalsContact CA-O 3.24Å; V162-F175 WeakPolarHBondContact CA-O 3.49Å; I163-F175 HydrophobicContact CB-CB 4.44Å; I163-F175 PolarHBondContact N-O 2.59Å; I163-F175 PolarHBondContact O-N 3.42Å; T165-F175 HydrophobicContact CG2-CD2 4.35Å; T165-F175 HydrophobicContact CG2-CE2 4.1Å; V173-F175 HydrophobicContact CB-CE2 3.95Å; V173-F175 HydrophobicContact CB-CZ 4.34Å; V173-F175 HydrophobicContact CG1-CD2 4.33Å; V173-F175 HydrophobicContact CG1-CE1 4.4Å; V173-F175 HydrophobicContact CG1-CE2 3.5Å; V173-F175 VanDerWaalsContact CG1-CE2 3.5Å; V173-F175 HydrophobicContact CG1-CZ 3.51Å; F175-P183 HydrophobicContact CD1-CB 4.25Å; F175-P183 HydrophobicContact CE1-CB 3.74Å; F175-P183 HydrophobicContact CE1-CG 4.45Å; F175-P183 HydrophobicContact CZ-CB 3.99Å
176	D	94.5	Very high	92.5	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.102	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.8	172.9	-168.3	-33	0	0	0	108.2	R158 V162 R178 M179 S184	R158-D176 IonicContact NH1-OD2 3.52Å; V162-D176 HydrophobicContact CG2-CB 4.39Å; D176-R178 PolarHBondContact O-N 3.44Å; D176-R178 VanDerWaalsContact O-N 3.13Å; D176-R178 VanDerWaalsContact OD1-CB 3.32Å; D176-R178 WeakPolarHBondContact OD1-CB 3.44Å; D176-R178 PolarHBondContact OD1-N 2.76Å; D176-M179 HydrophobicContact CB-CB 4.4Å; D176-M179 HydrophobicContact CB-CG 4.15Å; D176-M179 HydrophobicContact CB-SD 4.41Å; D176-M179 PolarHBondContact O-N 2.75Å; D176-S184 PolarHBondContact N-OG 2.78Å
177	L	92.2	Very high	92.5	Very high	35 Å²	35	51.9 Å²	51.9	18%	0.183	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.3	-175.6	-81.1	70	0	0	0	112.6	L107 I124 L143 W156 D161 I163	L107-L177 HydrophobicContact CD1-CD2 4.27Å; I124-L177 HydrophobicContact CG1-CD2 4.49Å; I124-L177 HydrophobicContact CG2-CD2 4.26Å; L143-L177 HydrophobicContact CD1-CB 4.46Å; L143-L177 HydrophobicContact CD1-CD2 4.19Å; L143-L177 HydrophobicContact CD1-CG 4.01Å; W156-L177 HydrophobicContact CH2-CD2 3.75Å; W156-L177 HydrophobicContact CZ3-CD1 4.27Å; W156-L177 HydrophobicContact CZ3-CD2 3.91Å; D161-L177 WeakPolarHBondContact O-CB 3.48Å; D161-L177 WeakPolarHBondContact O-CD1 3.42Å; D161-L177 PolarHBondContact O-N 2.86Å; I163-L177 HydrophobicContact CD1-CD1 3.96Å; I163-L177 HydrophobicContact CG1-CD1 3.96Å
178	R	90.4	Very high	92.5	Very high	180 Å²	180	57.9 Å²	57.9	68%	0.679	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.7	174.5	-57.9	175.2	172.2	172.9	-4.6	112.4	D161 D176	D161-R178 IonicContact OD1-CZ 2.97Å; D161-R178 IonicContact OD1-NE 3.74Å; D161-R178 PolarHBondContact OD1-NE 2.91Å; D161-R178 IonicContact OD1-NH2 3.7Å; D161-R178 PolarHBondContact OD1-NH2 2.77Å; D161-R178 IonicContact OD2-CZ 3.86Å; D161-R178 IonicContact OD2-NE 3.1Å; D161-R178 IonicContact OD2-NH1 2.75Å; D161-R178 IonicContact OD2-NH2 2.75Å; D161-R178 PolarHBondContact OD2-NH2 3.4Å; D176-R178 PolarHBondContact O-N 3.44Å; D176-R178 VanDerWaalsContact O-N 3.13Å; D176-R178 VanDerWaalsContact OD1-CB 3.32Å; D176-R178 WeakPolarHBondContact OD1-CB 3.44Å; D176-R178 PolarHBondContact OD1-N 2.76Å
179	M	86.8	Confident	92.6	Very high	113 Å²	113	59.8 Å²	59.8	56%	0.557	33%	0.325	S	S	*	.	S	Bend	trans	-95.6	126	176.5	-63	-169.8	178.5	0	0	108.8	D176	D176-M179 HydrophobicContact CB-CB 4.4Å; D176-M179 HydrophobicContact CB-CG 4.15Å; D176-M179 HydrophobicContact CB-SD 4.41Å; D176-M179 PolarHBondContact O-N 2.75Å
180	D	77.8	Confident	92.7	Very high	175 Å²	175	54.9 Å²	54.9	94%	0.936	30%	0.304	S	S	*	.	S	Bend	trans	-67.6	135.7	169.2	-67.3	-35.8	0	0	0	109.5
181	G	81	Confident	92.8	Very high	49 Å²	49	64 Å²	64	51%	0.505	34%	0.343	S	S	.	.	S	Bend	trans	121.3	-174.1	178.2	0	0	0	0	0	113.5	Y145	Y145-G181 WeakPolarHBondContact CE1-O 3.28Å
182	G	86.2	Confident	92.8	Very high	45 Å²	45	70.5 Å²	70.5	46%	0.464	37%	0.366	S	S	.	.	S	Bend	trans	-74.4	-144.9	-178.8	0	0	0	0	0	113.4	S184	G182-S184 PolarHBondContact O-N 2.83Å
183	P	90.8	Very high	92.8	Very high	76 Å²	76	72.5 Å²	72.5	49%	0.494	38%	0.376	S	S	.	.			trans	-61.4	134	-177.7	27.3	-34.8	0	0	0	111.6	V173 M174 F175	V173-P183 HydrophobicContact CG1-CB 3.33Å; V173-P183 HydrophobicContact CG1-CG 4.29Å; M174-P183 CarbonylContact O-C 3.51Å; M174-P183 WeakPolarHBondContact O-CA 3.5Å; F175-P183 HydrophobicContact CD1-CB 4.25Å; F175-P183 HydrophobicContact CE1-CB 3.74Å; F175-P183 HydrophobicContact CE1-CG 4.45Å; F175-P183 HydrophobicContact CZ-CB 3.99Å
184	S	92.5	Very high	92.9	Very high	42 Å²	42	71.8 Å²	71.8	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-77.5	-33.6	177.8	60.7	0	0	0	0	111.9	M174 D176 G182	M174-S184 PolarHBondContact O-N 3.48Å; M174-S184 PolarHBondContact O-OG 2.92Å; M174-S184 VanDerWaalsContact O-OG 3.1Å; D176-S184 PolarHBondContact N-OG 2.78Å; G182-S184 PolarHBondContact O-N 2.83Å
185	Q	93.7	Very high	93	Very high	64 Å²	64	74.2 Å²	74.2	30%	0.299	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.8	173.7	-59.4	177.7	23.8	0	0	110.2	M174 R221 T222 L223	M174-Q185 HydrophobicContact CB-CB 4.18Å; M174-Q185 PolarHBondContact N-O 3.32Å; M174-Q185 PolarHBondContact O-N 2.97Å; Q185-R221 PolarHBondContact NE2-O 2.9Å; Q185-T222 PolarHBondContact OE1-O 2.97Å; Q185-T222 VanDerWaalsContact OE1-O 3.06Å; Q185-L223 HydrophobicContact CB-CD1 3.97Å
186	S	94.7	Very high	93.1	Very high	74 Å²	74	74.5 Å²	74.5	52%	0.517	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	129.7	175.2	179.8	0	0	0	0	109.3
187	V	96.9	Very high	93.3	Very high	32 Å²	32	74.2 Å²	74.2	19%	0.194	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.2	177.2	-59.5	0	0	0	0	110.1	D171 V172 E189 F218 L223	D171-V187 CarbonylContact C-O 3.55Å; D171-V187 WeakPolarHBondContact CA-O 3.39Å; V172-V187 HydrophobicContact CB-CG2 3.98Å; V172-V187 PolarHBondContact N-O 2.87Å; V172-V187 PolarHBondContact O-N 2.82Å; V187-E189 HydrophobicContact CB-CG 4.11Å; V187-E189 HydrophobicContact CG2-CG 3.97Å; V187-F218 HydrophobicContact CG2-CE1 4.01Å; V187-L223 HydrophobicContact CG1-CB 3.97Å; V187-L223 HydrophobicContact CG2-CB 4.1Å; V187-L223 HydrophobicContact CG2-CD1 4.24Å
188	K	96.7	Very high	93.5	Very high	129 Å²	129	74 Å²	74	56%	0.561	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	78.4	177.8	-171.9	-179.8	-157.2	89.6	0	110.1	K169 D171	K169-K188 WeakPolarHBondContact O-CE 3.44Å; K169-K188 PolarHBondContact O-NZ 2.86Å; D171-K188 WeakPolarHBondContact OD1-CB 3.44Å; D171-K188 WeakPolarHBondContact OD1-CD 3.21Å; D171-K188 WeakPolarHBondContact OD1-CG 3.06Å; D171-K188 IonicContact OD1-NZ 2.67Å; D171-K188 PolarHBondContact OD1-NZ 3.12Å; D171-K188 IonicContact OD2-NZ 3.84Å
189	E	96.3	Very high	93.7	Very high	81 Å²	81	66.9 Å²	66.9	38%	0.379	36%	0.359	S	S	.	.			trans	-97.7	-20.9	-173.3	-70.1	-63.6	145	0	0	113.1	V187 K216 F218 V225	V187-E189 HydrophobicContact CB-CG 4.11Å; V187-E189 HydrophobicContact CG2-CG 3.97Å; E189-K216 HydrophobicContact CB-CD 3.84Å; E189-K216 WeakPolarHBondContact O-CE 2.89Å; E189-F218 HydrophobicContact CB-CE1 4.09Å; E189-F218 HydrophobicContact CB-CZ 4.06Å; E189-F218 HydrophobicContact CG-CE1 3.89Å; E189-F218 HydrophobicContact CG-CZ 4.38Å; E189-V225 HydrophobicContact CB-CG2 4.08Å; E189-V225 HydrophobicContact CG-CG2 3.51Å; E189-V225 WeakPolarHBondContact OE2-CG2 3.48Å
190	H	98	Very high	94.2	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.019	34%	0.338	C	S	.	.			trans	-101.5	149.8	175.1	-72.9	-71.3	0	0	0	112.2	G170 R192 V194 S208 S210 D212 S214	G170-H190 WeakPolarHBondContact CA-O 3.49Å; G170-H190 PolarHBondContact O-N 3.09Å; G170-H190 VanDerWaalsContact O-N 3.12Å; H190-R192 WeakPolarHBondContact CB-O 3.42Å; H190-V194 HydrophobicContact CB-CG2 4.32Å; H190-S208 PolarHBondContact NE2-OG 3.41Å; H190-S210 VanDerWaalsContact CG-CB 3.48Å; H190-S210 WeakPolarHBondContact ND1-CB 3.37Å; H190-D212 VanDerWaalsContact CA-OD2 3.26Å; H190-D212 WeakPolarHBondContact CA-OD2 3.5Å; H190-D212 WeakPolarHBondContact CB-OD2 3.29Å; H190-D212 IonicContact CE1-OD1 2.79Å; H190-D212 IonicContact CG-OD2 2.81Å; H190-D212 IonicContact ND1-OD1 2.99Å; H190-D212 PolarHBondContact ND1-OD1 3.16Å; H190-D212 IonicContact ND1-OD2 3.07Å; H190-D212 PolarHBondContact ND1-OD2 3Å; H190-S214 PolarHBondContact CE1-OG 2.9Å; H190-S214 VanDerWaalsContact CE1-OG 3.31Å; H190-S214 PolarHBondContact ND1-OG 2.75Å
191	K	97.4	Very high	94.8	Very high	192 Å²	192	61.8 Å²	61.8	84%	0.835	33%	0.327	S	S	*	.	S	Bend	trans	-89.6	-12.3	177.8	-63.4	179.7	-178.1	176.4	0	113	D212	K191-D212 HydrophobicContact CB-CB 4.11Å; K191-D212 PolarHBondContact N-OD2 2.95Å
192	R	97.3	Very high	95.4	Very high	153 Å²	153	64.7 Å²	64.7	58%	0.577	33%	0.331	S	S	*	.	S	Bend	trans	-142.8	172.4	-177.7	-63.6	-175.9	170.9	-161.9	-2.7	109.6	G170 H190 V194 S210 K211 D212	G170-R192 WeakPolarHBondContact CA-O 3.48Å; G170-R192 PolarHBondContact N-O 3.45Å; H190-R192 WeakPolarHBondContact CB-O 3.42Å; R192-V194 PolarHBondContact O-N 2.81Å; R192-S210 PolarHBondContact O-OG 3.13Å; R192-K211 HydrophobicContact CB-CB 3.91Å; R192-K211 VanDerWaalsContact CD-O 3.28Å; R192-K211 WeakPolarHBondContact CD-O 3.26Å; R192-D212 HydrophobicContact CB-CB 4.03Å; R192-D212 HydrophobicContact CG-CB 4.12Å
193	E	97.4	Very high	95.8	Very high	41 Å²	41	63.5 Å²	63.5	19%	0.192	31%	0.313	C	S	.	.			trans	-42.9	130.3	179.7	179.5	169.2	-148.4	0	0	113.7	S152 S167 D168 M195 S210 K211	S152-E193 WeakPolarHBondContact CB-OE1 3.2Å; S167-E193 WeakPolarHBondContact O-CA 3.31Å; D168-E193 HydrophobicContact CB-CG 4.41Å; D168-E193 WeakPolarHBondContact O-CA 3.45Å; D168-E193 PolarHBondContact O-N 3.24Å; E193-M195 HydrophobicContact CB-SD 4.35Å; E193-M195 HydrophobicContact CG-SD 3.62Å; E193-S210 VanDerWaalsContact O-CA 3.31Å; E193-S210 WeakPolarHBondContact O-CA 3.29Å; E193-S210 PolarHBondContact O-OG 3.23Å; E193-K211 HydrophobicContact CB-CD 4.27Å; E193-K211 PolarHBondContact O-N 3.19Å; E193-K211 IonicContact OE2-NZ 2.78Å; E193-K211 PolarHBondContact OE2-NZ 3.06Å
194	V	98.2	Very high	96	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	110.1	171.3	-174.7	0	0	0	0	108	S152 C153 S167 V172 H190 R192 L197 A209	S152-V194 VanDerWaalsContact CB-O 3.26Å; S152-V194 WeakPolarHBondContact CB-O 3.07Å; S152-V194 PolarHBondContact OG-O 2.99Å; C153-V194 PolarHBondContact SG-O 2.93Å; S167-V194 PolarHBondContact O-N 3.07Å; V172-V194 HydrophobicContact CG2-CG2 4.28Å; H190-V194 HydrophobicContact CB-CG2 4.32Å; R192-V194 PolarHBondContact O-N 2.81Å; V194-L197 HydrophobicContact CG1-CD2 4.3Å; V194-L197 HydrophobicContact CG1-CG 4.38Å; V194-A209 CarbonylContact C-O 3.46Å; V194-A209 WeakPolarHBondContact CA-O 3.37Å
195	M	97.9	Very high	96.3	Very high	52 Å²	52	62.7 Å²	62.7	26%	0.256	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-32.6	-172.1	-64.8	-59.5	-61.2	0	0	113	E193 A209 K211 N236	E193-M195 HydrophobicContact CB-SD 4.35Å; E193-M195 HydrophobicContact CG-SD 3.62Å; M195-A209 PolarHBondContact N-O 2.56Å; M195-K211 HydrophobicContact CG-CD 4.48Å; M195-K211 HydrophobicContact CG-CG 3.79Å; M195-K211 HydrophobicContact SD-CD 3.87Å; M195-K211 WeakPolarHBondContact SD-CE 3Å; M195-K211 HydrophobicContact SD-CG 3.86Å; M195-N236 WeakPolarHBondContact CB-O 3.35Å
196	D	98.1	Very high	96.5	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.8	-177.2	-155.1	-0.2	0	0	0	111.5	K15 S208 A209 N236 S237	K15-D196 IonicContact NZ-OD1 2.72Å; K15-D196 PolarHBondContact NZ-OD1 2.76Å; K15-D196 IonicContact NZ-OD2 3.54Å; K15-D196 PolarHBondContact NZ-OD2 2.88Å; D196-S208 CarbonylContact O-C 3.54Å; D196-S208 WeakPolarHBondContact O-CA 3.35Å; D196-A209 HydrophobicContact CB-CB 4.08Å; D196-A209 PolarHBondContact O-N 2.93Å; D196-N236 WeakPolarHBondContact CB-O 3.1Å; D196-S237 WeakPolarHBondContact OD2-CB 3.42Å; D196-S237 PolarHBondContact OD2-OG 2.89Å
197	L	98.1	Very high	96.7	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.8	171.9	-70.7	166.2	0	0	0	108.2	L155 V164 V194 I206 A207	L155-L197 HydrophobicContact CD2-CB 3.51Å; L155-L197 HydrophobicContact CG-CB 4.06Å; V164-L197 HydrophobicContact CG1-CD1 4.12Å; V194-L197 HydrophobicContact CG1-CD2 4.3Å; V194-L197 HydrophobicContact CG1-CG 4.38Å; L197-I206 HydrophobicContact CD2-CG2 3.98Å; L197-A207 CarbonylContact C-O 3.59Å; L197-A207 VanDerWaalsContact CA-O 3.29Å; L197-A207 WeakPolarHBondContact CA-O 3.31Å
198	C	96.9	Very high	96.7	Very high	30 Å²	30	54.6 Å²	54.6	20%	0.203	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.7	175.8	-172.1	0	0	0	0	109.2	I206 A207 V238	C198-I206 CarbonylContact O-C 3.51Å; C198-I206 WeakPolarHBondContact O-CA 3.15Å; C198-A207 PolarHBondContact N-O 3.01Å; C198-A207 PolarHBondContact O-N 2.75Å; C198-V238 HydrophobicContact CB-CG1 4.08Å; C198-V238 WeakPolarHBondContact CB-O 3.35Å
199	M	95.9	Very high	96.8	Very high	32 Å²	32	48.4 Å²	48.4	16%	0.158	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.3	-179.7	-161.4	178.7	-139.9	0	0	110.1	L155 A157 Q203 F205 I206 A220	L155-M199 HydrophobicContact CD2-CB 4.4Å; A157-M199 HydrophobicContact CB-CE 3.37Å; A157-M199 HydrophobicContact CB-SD 4.08Å; M199-Q203 HydrophobicContact CE-CB 3.82Å; M199-Q203 HydrophobicContact CE-CG 4.47Å; M199-Q203 HydrophobicContact CG-CB 4.43Å; M199-Q203 HydrophobicContact SD-CB 3.64Å; M199-Q203 HydrophobicContact SD-CG 3.66Å; M199-F205 WeakPolarHBondContact CA-O 3.28Å; M199-F205 VanDerWaalsContact CG-O 3.26Å; M199-F205 WeakPolarHBondContact CG-O 3.29Å; M199-I206 HydrophobicContact CE-CD1 3.99Å; M199-I206 HydrophobicContact CE-CG1 3.74Å; M199-I206 HydrophobicContact CG-CG1 4.13Å; M199-A220 HydrophobicContact CE-CB 3.63Å
200	T	95.6	Very high	96.9	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.098	21%	0.211	C	C	.	.			trans	-66.5	155	169.9	52.3	0	0	0	0	111.3	D202 Q203 A204 F205 I240 M275	T200-D202 WeakPolarHBondContact CB-OD1 3.43Å; T200-D202 PolarHBondContact O-N 3.31Å; T200-D202 PolarHBondContact OG1-OD1 3.33Å; T200-Q203 WeakPolarHBondContact O-CA 3.26Å; T200-Q203 PolarHBondContact O-N 3.11Å; T200-A204 PolarHBondContact OG1-N 2.8Å; T200-F205 HydrophobicContact CG2-CB 3.93Å; T200-F205 HydrophobicContact CG2-CD2 4.02Å; T200-F205 HydrophobicContact CG2-CG 4.47Å; T200-F205 PolarHBondContact N-O 2.86Å; T200-F205 PolarHBondContact OG1-N 2.89Å; T200-F205 PolarHBondContact OG1-O 3.08Å; T200-I240 HydrophobicContact CG2-CD1 3.75Å; T200-I240 HydrophobicContact CG2-CG2 3.95Å; T200-M275 HydrophobicContact CG2-CE 4.41Å
201	K	92.3	Very high	96.9	Very high	165 Å²	165	47.1 Å²	47.1	72%	0.717	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34	-179.9	-176.8	177.4	177.9	178.1	0	113.1	Q203 P242	K201-Q203 VanDerWaalsContact C-N 3.32Å; K201-P242 HydrophobicContact CD-CB 4.29Å
202	D	93.2	Very high	96.8	Very high	109 Å²	109	39.7 Å²	39.7	58%	0.583	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.6	177	67.3	-11	0	0	0	113.8	T200 A204	T200-D202 WeakPolarHBondContact CB-OD1 3.43Å; T200-D202 PolarHBondContact O-N 3.31Å; T200-D202 PolarHBondContact OG1-OD1 3.33Å; D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 WeakPolarHBondContact OD1-CB 3.48Å; D202-A204 PolarHBondContact OD1-N 2.6Å; D202-A204 VanDerWaalsContact OD1-N 3.13Å; D202-A204 WeakPolarHBondContact OD2-CB 3.11Å
203	Q	94.3	Very high	96.8	Very high	21 Å²	21	34.1 Å²	34.1	10%	0.098	18%	0.175	C	C	.	.	S	Bend	trans	61.3	21.9	-178.7	-50.7	-173.6	33.1	0	0	115	M199 T200 K201 A220	M199-Q203 HydrophobicContact CE-CB 3.82Å; M199-Q203 HydrophobicContact CE-CG 4.47Å; M199-Q203 HydrophobicContact CG-CB 4.43Å; M199-Q203 HydrophobicContact SD-CB 3.64Å; M199-Q203 HydrophobicContact SD-CG 3.66Å; T200-Q203 WeakPolarHBondContact O-CA 3.26Å; T200-Q203 PolarHBondContact O-N 3.11Å; K201-Q203 VanDerWaalsContact C-N 3.32Å; Q203-A220 VanDerWaalsContact O-CB 3.24Å; Q203-A220 WeakPolarHBondContact O-CB 3.47Å
204	A	95.5	Very high	96.8	Very high	36 Å²	36	32.7 Å²	32.7	30%	0.298	17%	0.17	S	C	.	.	S	Bend	trans	-75.7	-36	175.9	0	0	0	0	0	112.7	T200 D202 A220	T200-A204 PolarHBondContact OG1-N 2.8Å; D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 WeakPolarHBondContact OD1-CB 3.48Å; D202-A204 PolarHBondContact OD1-N 2.6Å; D202-A204 VanDerWaalsContact OD1-N 3.13Å; D202-A204 WeakPolarHBondContact OD2-CB 3.11Å; A204-A220 WeakPolarHBondContact O-CB 3.19Å; A204-A220 PolarHBondContact O-N 3.47Å
205	F	97.3	Very high	96.9	Very high	64 Å²	64	32.7 Å²	32.7	28%	0.281	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.4	-174.4	-49.6	-56	0	0	0	112.8	M199 T200 L217 F218 L226 M275	M199-F205 WeakPolarHBondContact CA-O 3.28Å; M199-F205 VanDerWaalsContact CG-O 3.26Å; M199-F205 WeakPolarHBondContact CG-O 3.29Å; T200-F205 HydrophobicContact CG2-CB 3.93Å; T200-F205 HydrophobicContact CG2-CD2 4.02Å; T200-F205 HydrophobicContact CG2-CG 4.47Å; T200-F205 PolarHBondContact N-O 2.86Å; T200-F205 PolarHBondContact OG1-N 2.89Å; T200-F205 PolarHBondContact OG1-O 3.08Å; F205-L217 HydrophobicContact CB-CD1 3.73Å; F205-L217 HydrophobicContact CB-CD2 4.3Å; F205-L217 HydrophobicContact CB-CG 3.97Å; F205-L217 HydrophobicContact CD2-CD2 4.4Å; F205-L217 HydrophobicContact CG-CD2 4.22Å; F205-L217 HydrophobicContact CG-CG 4.37Å; F205-F218 VanDerWaalsContact CA-O 3.24Å; F205-F218 WeakPolarHBondContact CA-O 3.46Å; F205-L226 HydrophobicContact CD1-CD1 3.38Å; F205-L226 HydrophobicContact CE1-CD1 3.36Å; F205-L226 HydrophobicContact CG-CD1 4.41Å; F205-L226 HydrophobicContact CZ-CD1 4.38Å; F205-M275 HydrophobicContact CD2-SD 4.31Å
206	I	98.1	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.5	172	-62	172.2	0	0	0	107.6	A157 V164 L197 C198 M199 L217 F218 A220	A157-I206 HydrophobicContact CB-CD1 4.34Å; V164-I206 HydrophobicContact CB-CD1 4.17Å; V164-I206 HydrophobicContact CG1-CD1 4.22Å; V164-I206 HydrophobicContact CG2-CD1 3.65Å; L197-I206 HydrophobicContact CD2-CG2 3.98Å; C198-I206 CarbonylContact O-C 3.51Å; C198-I206 WeakPolarHBondContact O-CA 3.15Å; M199-I206 HydrophobicContact CE-CD1 3.99Å; M199-I206 HydrophobicContact CE-CG1 3.74Å; M199-I206 HydrophobicContact CG-CG1 4.13Å; I206-L217 CarbonylContact O-C 3.6Å; I206-L217 WeakPolarHBondContact O-CA 3.45Å; I206-F218 PolarHBondContact N-O 2.95Å; I206-F218 WeakPolarHBondContact O-CD2 3.38Å; I206-F218 PolarHBondContact O-N 2.75Å; I206-A220 HydrophobicContact CD1-CB 4.09Å; I206-A220 HydrophobicContact CG1-CB 3.92Å
207	A	98.3	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.6	169	0	0	0	0	0	110.7	L197 C198 K216 L217 V238 I240	L197-A207 CarbonylContact C-O 3.59Å; L197-A207 VanDerWaalsContact CA-O 3.29Å; L197-A207 WeakPolarHBondContact CA-O 3.31Å; C198-A207 PolarHBondContact N-O 3.01Å; C198-A207 PolarHBondContact O-N 2.75Å; A207-K216 CarbonylContact C-O 3.58Å; A207-K216 WeakPolarHBondContact CA-O 3.33Å; A207-L217 HydrophobicContact CB-CD1 4.07Å; A207-V238 HydrophobicContact CB-CG1 4.08Å; A207-V238 HydrophobicContact CB-CG2 3.68Å; A207-I240 HydrophobicContact CB-CD1 3.72Å; A207-I240 HydrophobicContact CB-CG1 4.03Å
208	S	98.6	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.3	170.7	64	0	0	0	0	111.2	H190 D196 A215 K216 F218	H190-S208 PolarHBondContact NE2-OG 3.41Å; D196-S208 CarbonylContact O-C 3.54Å; D196-S208 WeakPolarHBondContact O-CA 3.35Å; S208-A215 CarbonylContact O-C 3.46Å; S208-A215 WeakPolarHBondContact O-CA 3.4Å; S208-A215 WeakPolarHBondContact O-CB 3.45Å; S208-K216 PolarHBondContact N-O 3.31Å; S208-K216 PolarHBondContact O-N 3.03Å; S208-K216 VanDerWaalsContact O-N 3.08Å; S208-K216 PolarHBondContact OG-O 2.54Å; S208-F218 VanDerWaalsContact OG-CE2 3.31Å; S208-F218 WeakPolarHBondContact OG-CE2 3.35Å
209	A	98.4	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	167.7	0	0	0	0	0	109.8	V194 M195 D196 V235 V238	V194-A209 CarbonylContact C-O 3.46Å; V194-A209 WeakPolarHBondContact CA-O 3.37Å; M195-A209 PolarHBondContact N-O 2.56Å; D196-A209 HydrophobicContact CB-CB 4.08Å; D196-A209 PolarHBondContact O-N 2.93Å; A209-V235 HydrophobicContact CB-CB 4.19Å; A209-V235 HydrophobicContact CB-CG1 3.67Å; A209-V238 HydrophobicContact CB-CB 3.99Å; A209-V238 HydrophobicContact CB-CG1 3.94Å
210	S	98.3	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.2	179.6	178.2	0	0	0	0	114.3	H190 R192 E193 D212 C213 S214 V235	H190-S210 VanDerWaalsContact CG-CB 3.48Å; H190-S210 WeakPolarHBondContact ND1-CB 3.37Å; R192-S210 PolarHBondContact O-OG 3.13Å; E193-S210 VanDerWaalsContact O-CA 3.31Å; E193-S210 WeakPolarHBondContact O-CA 3.29Å; E193-S210 PolarHBondContact O-OG 3.23Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.23Å; S210-D212 PolarHBondContact O-N 3.37Å; S210-D212 VanDerWaalsContact O-N 3.11Å; S210-D212 PolarHBondContact OG-N 3.33Å; S210-D212 VanDerWaalsContact OG-N 3.16Å; S210-D212 PolarHBondContact OG-OD1 3.11Å; S210-C213 PolarHBondContact O-N 3.32Å; S210-S214 PolarHBondContact N-O 2.98Å; S210-V235 CarbonylContact C-O 3.54Å; S210-V235 PolarHBondContact N-O 3.29Å; S210-V235 PolarHBondContact O-N 3.35Å
211	K	97.1	Very high	96.9	Very high	57 Å²	57	36.4 Å²	36.4	25%	0.248	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-5.5	168.7	-76.6	-176.7	175.8	156.6	0	114.4	R192 E193 M195 C213 P234	R192-K211 HydrophobicContact CB-CB 3.91Å; R192-K211 VanDerWaalsContact CD-O 3.28Å; R192-K211 WeakPolarHBondContact CD-O 3.26Å; E193-K211 HydrophobicContact CB-CD 4.27Å; E193-K211 PolarHBondContact O-N 3.19Å; E193-K211 IonicContact OE2-NZ 2.78Å; E193-K211 PolarHBondContact OE2-NZ 3.06Å; M195-K211 HydrophobicContact CG-CD 4.48Å; M195-K211 HydrophobicContact CG-CG 3.79Å; M195-K211 HydrophobicContact SD-CD 3.87Å; M195-K211 WeakPolarHBondContact SD-CE 3Å; M195-K211 HydrophobicContact SD-CG 3.86Å; K211-C213 PolarHBondContact O-N 3.2Å; K211-P234 HydrophobicContact CG-CB 4.39Å
212	D	97	Very high	97.1	Very high	36 Å²	36	30.8 Å²	30.8	19%	0.193	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	13.2	173.4	73.3	5.2	0	0	0	114.3	H190 K191 R192 S210 S214	H190-D212 VanDerWaalsContact CA-OD2 3.26Å; H190-D212 WeakPolarHBondContact CA-OD2 3.5Å; H190-D212 WeakPolarHBondContact CB-OD2 3.29Å; H190-D212 IonicContact CE1-OD1 2.79Å; H190-D212 IonicContact CG-OD2 2.81Å; H190-D212 IonicContact ND1-OD1 2.99Å; H190-D212 PolarHBondContact ND1-OD1 3.16Å; H190-D212 IonicContact ND1-OD2 3.07Å; H190-D212 PolarHBondContact ND1-OD2 3Å; K191-D212 HydrophobicContact CB-CB 4.11Å; K191-D212 PolarHBondContact N-OD2 2.95Å; R192-D212 HydrophobicContact CB-CB 4.03Å; R192-D212 HydrophobicContact CG-CB 4.12Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.23Å; S210-D212 PolarHBondContact O-N 3.37Å; S210-D212 VanDerWaalsContact O-N 3.11Å; S210-D212 PolarHBondContact OG-N 3.33Å; S210-D212 VanDerWaalsContact OG-N 3.16Å; S210-D212 PolarHBondContact OG-OD1 3.11Å; D212-S214 VanDerWaalsContact C-N 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.36Å; D212-S214 PolarHBondContact OD1-N 2.96Å; D212-S214 VanDerWaalsContact OD1-N 3.11Å; D212-S214 PolarHBondContact OD1-OG 2.87Å
213	C	96.9	Very high	97.3	Very high	37 Å²	37	25.7 Å²	25.7	25%	0.25	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	30.7	-178.8	-48	0	0	0	0	113	S210 K211 A231 K233	S210-C213 PolarHBondContact O-N 3.32Å; K211-C213 PolarHBondContact O-N 3.2Å; C213-A231 WeakPolarHBondContact CB-O 3.38Å; C213-A231 PolarHBondContact O-N 3.38Å; C213-K233 WeakPolarHBondContact CA-O 3.14Å; C213-K233 WeakPolarHBondContact CB-O 3.48Å
214	S	97.8	Very high	97.4	Very high	11 Å²	11	28 Å²	28	8%	0.077	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.5	174.3	73.8	0	0	0	0	112.8	H190 S210 D212 Y229	H190-S214 PolarHBondContact CE1-OG 2.9Å; H190-S214 VanDerWaalsContact CE1-OG 3.31Å; H190-S214 PolarHBondContact ND1-OG 2.75Å; S210-S214 PolarHBondContact N-O 2.98Å; D212-S214 VanDerWaalsContact C-N 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.36Å; D212-S214 PolarHBondContact OD1-N 2.96Å; D212-S214 VanDerWaalsContact OD1-N 3.11Å; D212-S214 PolarHBondContact OD1-OG 2.87Å; S214-Y229 CarbonylContact C-O 3.57Å; S214-Y229 VanDerWaalsContact CA-O 3.31Å; S214-Y229 WeakPolarHBondContact CA-O 3.36Å
215	A	98.5	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.9	162.3	0	0	0	0	0	109.2	S208 T228 Y229 L249	S208-A215 CarbonylContact O-C 3.46Å; S208-A215 WeakPolarHBondContact O-CA 3.4Å; S208-A215 WeakPolarHBondContact O-CB 3.45Å; A215-T228 CarbonylContact O-C 3.59Å; A215-T228 WeakPolarHBondContact O-CA 3.49Å; A215-Y229 HydrophobicContact CB-CD2 4.25Å; A215-Y229 PolarHBondContact N-O 2.93Å; A215-Y229 PolarHBondContact O-N 2.98Å; A215-L249 HydrophobicContact CB-CD1 3.82Å; A215-L249 HydrophobicContact CB-CD2 3.27Å; A215-L249 HydrophobicContact CB-CG 4.2Å
216	K	98.6	Very high	97.6	Very high	23 Å²	23	28.9 Å²	28.9	10%	0.1	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.6	-177.1	-71.3	176.7	178	-77.4	0	110.4	E189 A207 S208 F218 V225 K227 T228	E189-K216 HydrophobicContact CB-CD 3.84Å; E189-K216 WeakPolarHBondContact O-CE 2.89Å; A207-K216 CarbonylContact C-O 3.58Å; A207-K216 WeakPolarHBondContact CA-O 3.33Å; S208-K216 PolarHBondContact N-O 3.31Å; S208-K216 PolarHBondContact O-N 3.03Å; S208-K216 VanDerWaalsContact O-N 3.08Å; S208-K216 PolarHBondContact OG-O 2.54Å; K216-F218 HydrophobicContact CB-CD2 4.26Å; K216-F218 HydrophobicContact CB-CE2 3.44Å; K216-F218 VanDerWaalsContact CB-CE2 3.44Å; K216-F218 HydrophobicContact CB-CZ 3.74Å; K216-F218 HydrophobicContact CD-CZ 4.16Å; K216-V225 HydrophobicContact CB-CG1 4.47Å; K216-V225 HydrophobicContact CD-CG1 4.46Å; K216-V225 HydrophobicContact CD-CG2 4.31Å; K216-V225 HydrophobicContact CG-CG1 4.48Å; K216-K227 WeakPolarHBondContact CA-O 3.26Å; K216-T228 HydrophobicContact CG-CG2 4.12Å; K216-T228 PolarHBondContact NZ-OG1 3.42Å
217	L	98.5	Very high	97.6	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.1	171.3	-164.5	72.6	0	0	0	108.8	F205 I206 A207 V225 L226 K227 Y229 I240 M275	F205-L217 HydrophobicContact CB-CD1 3.73Å; F205-L217 HydrophobicContact CB-CD2 4.3Å; F205-L217 HydrophobicContact CB-CG 3.97Å; F205-L217 HydrophobicContact CD2-CD2 4.4Å; F205-L217 HydrophobicContact CG-CD2 4.22Å; F205-L217 HydrophobicContact CG-CG 4.37Å; I206-L217 CarbonylContact O-C 3.6Å; I206-L217 WeakPolarHBondContact O-CA 3.45Å; A207-L217 HydrophobicContact CB-CD1 4.07Å; L217-V225 CarbonylContact O-C 3.59Å; L217-V225 WeakPolarHBondContact O-CA 3.2Å; L217-L226 PolarHBondContact O-N 3.17Å; L217-K227 HydrophobicContact CB-CB 3.84Å; L217-K227 HydrophobicContact CB-CG 4.38Å; L217-K227 HydrophobicContact CD2-CG 4.23Å; L217-K227 PolarHBondContact N-O 3.4Å; L217-K227 PolarHBondContact O-N 2.88Å; L217-Y229 HydrophobicContact CB-CE2 4.13Å; L217-I240 HydrophobicContact CD1-CD1 4.1Å; L217-M275 HydrophobicContact CD2-CG 3.71Å; L217-M275 HydrophobicContact CD2-SD 4Å
218	F	98.4	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.1	-178.7	-59.4	-101.3	0	0	0	110.1	V172 V187 E189 F205 I206 S208 K216 A220 L223 T224 V225	V172-F218 HydrophobicContact CG2-CZ 4.19Å; V187-F218 HydrophobicContact CG2-CE1 4.01Å; E189-F218 HydrophobicContact CB-CE1 4.09Å; E189-F218 HydrophobicContact CB-CZ 4.06Å; E189-F218 HydrophobicContact CG-CE1 3.89Å; E189-F218 HydrophobicContact CG-CZ 4.38Å; F205-F218 VanDerWaalsContact CA-O 3.24Å; F205-F218 WeakPolarHBondContact CA-O 3.46Å; I206-F218 PolarHBondContact N-O 2.95Å; I206-F218 WeakPolarHBondContact O-CD2 3.38Å; I206-F218 PolarHBondContact O-N 2.75Å; S208-F218 VanDerWaalsContact OG-CE2 3.31Å; S208-F218 WeakPolarHBondContact OG-CE2 3.35Å; K216-F218 HydrophobicContact CB-CD2 4.26Å; K216-F218 HydrophobicContact CB-CE2 3.44Å; K216-F218 VanDerWaalsContact CB-CE2 3.44Å; K216-F218 HydrophobicContact CB-CZ 3.74Å; K216-F218 HydrophobicContact CD-CZ 4.16Å; F218-A220 PolarHBondContact O-N 3.48Å; F218-L223 WeakPolarHBondContact CD1-O 3.24Å; F218-T224 VanDerWaalsContact CA-O 3.3Å; F218-T224 WeakPolarHBondContact CA-O 3.39Å; F218-V225 HydrophobicContact CD1-CG2 3.82Å; F218-V225 HydrophobicContact CE1-CG2 3.43Å; F218-V225 VanDerWaalsContact CE1-CG2 3.43Å; F218-V225 HydrophobicContact CZ-CG2 4.03Å
219	D	97.5	Very high	97.6	Very high	40 Å²	40	33.3 Å²	33.3	21%	0.214	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	123.5	159.4	-178	-64.7	0	0	0	108.6	R221 T222 L223 T224 L226	D219-R221 PolarHBondContact O-N 2.82Å; D219-R221 VanDerWaalsContact OD1-CA 3.28Å; D219-R221 WeakPolarHBondContact OD1-CA 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 PolarHBondContact OD1-N 2.84Å; D219-T222 WeakPolarHBondContact CB-OG1 3.45Å; D219-T222 PolarHBondContact O-N 3.34Å; D219-T222 PolarHBondContact OD1-N 3.49Å; D219-T222 PolarHBondContact OD1-OG1 2.8Å; D219-L223 WeakPolarHBondContact O-CA 3.24Å; D219-L223 PolarHBondContact O-N 3.37Å; D219-T224 WeakPolarHBondContact CB-OG1 3.39Å; D219-T224 PolarHBondContact N-O 3.31Å; D219-L226 HydrophobicContact CB-CD1 4.32Å
220	A	96	Very high	97.5	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-7.5	-175.8	0	0	0	0	0	113.7	M174 M199 Q203 A204 I206 F218	M174-A220 WeakPolarHBondContact CE-O 3.31Å; M199-A220 HydrophobicContact CE-CB 3.63Å; Q203-A220 VanDerWaalsContact O-CB 3.24Å; Q203-A220 WeakPolarHBondContact O-CB 3.47Å; A204-A220 WeakPolarHBondContact O-CB 3.19Å; A204-A220 PolarHBondContact O-N 3.47Å; I206-A220 HydrophobicContact CD1-CB 4.09Å; I206-A220 HydrophobicContact CG1-CB 3.92Å; F218-A220 PolarHBondContact O-N 3.48Å
221	R	95	Very high	97.2	Very high	158 Å²	158	42.1 Å²	42.1	60%	0.596	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-33.6	178.4	167.4	-178.7	79.8	103	7	115.8	R158 Q185 D219	R158-R221 PolarHBondContact NH2-O 3.37Å; Q185-R221 PolarHBondContact NE2-O 2.9Å; D219-R221 PolarHBondContact O-N 2.82Å; D219-R221 VanDerWaalsContact OD1-CA 3.28Å; D219-R221 WeakPolarHBondContact OD1-CA 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 PolarHBondContact OD1-N 2.84Å
222	T	95.7	Very high	96.9	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-3.2	-176.4	52	0	0	0	0	113.6	Q185 D219 T224	Q185-T222 PolarHBondContact OE1-O 2.97Å; Q185-T222 VanDerWaalsContact OE1-O 3.06Å; D219-T222 WeakPolarHBondContact CB-OG1 3.45Å; D219-T222 PolarHBondContact O-N 3.34Å; D219-T222 PolarHBondContact OD1-N 3.49Å; D219-T222 PolarHBondContact OD1-OG1 2.8Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 WeakPolarHBondContact OG1-CG2 3.19Å; T222-T224 PolarHBondContact OG1-OG1 2.85Å
223	L	96.8	Very high	96.8	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.229	C	C	.	.			trans	49.4	27.6	-170.7	-68.5	-174.5	0	0	0	112.8	V172 M174 Q185 V187 F218 D219	V172-L223 HydrophobicContact CG1-CD1 4.37Å; V172-L223 HydrophobicContact CG1-CD2 4.03Å; M174-L223 HydrophobicContact CB-CD1 3.82Å; M174-L223 HydrophobicContact CB-CG 4.38Å; M174-L223 HydrophobicContact CE-CD1 4.43Å; M174-L223 HydrophobicContact CE-CD2 3.73Å; M174-L223 HydrophobicContact CE-CG 3.73Å; Q185-L223 HydrophobicContact CB-CD1 3.97Å; V187-L223 HydrophobicContact CG1-CB 3.97Å; V187-L223 HydrophobicContact CG2-CB 4.1Å; V187-L223 HydrophobicContact CG2-CD1 4.24Å; F218-L223 WeakPolarHBondContact CD1-O 3.24Å; D219-L223 WeakPolarHBondContact O-CA 3.24Å; D219-L223 PolarHBondContact O-N 3.37Å
224	T	97.8	Very high	96.7	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.423	23%	0.225	S	C	.	.			trans	-81	128.2	175.3	49.4	0	0	0	0	108.8	F218 D219 T222 L226	F218-T224 VanDerWaalsContact CA-O 3.3Å; F218-T224 WeakPolarHBondContact CA-O 3.39Å; D219-T224 WeakPolarHBondContact CB-OG1 3.39Å; D219-T224 PolarHBondContact N-O 3.31Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 WeakPolarHBondContact OG1-CG2 3.19Å; T222-T224 PolarHBondContact OG1-OG1 2.85Å; T224-L226 PolarHBondContact O-N 3.27Å
225	V	98.3	Very high	96.7	Very high	46 Å²	46	45 Å²	45	28%	0.279	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	121.1	175.6	-179.4	0	0	0	0	109.6	E189 K216 L217 F218	E189-V225 HydrophobicContact CB-CG2 4.08Å; E189-V225 HydrophobicContact CG-CG2 3.51Å; E189-V225 WeakPolarHBondContact OE2-CG2 3.48Å; K216-V225 HydrophobicContact CB-CG1 4.47Å; K216-V225 HydrophobicContact CD-CG1 4.46Å; K216-V225 HydrophobicContact CD-CG2 4.31Å; K216-V225 HydrophobicContact CG-CG1 4.48Å; L217-V225 CarbonylContact O-C 3.59Å; L217-V225 WeakPolarHBondContact O-CA 3.2Å; F218-V225 HydrophobicContact CD1-CG2 3.82Å; F218-V225 HydrophobicContact CE1-CG2 3.43Å; F218-V225 VanDerWaalsContact CE1-CG2 3.43Å; F218-V225 HydrophobicContact CZ-CG2 4.03Å
226	L	98	Very high	96.7	Very high	72 Å²	72	45.6 Å²	45.6	38%	0.377	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-38.6	175.3	-58.1	176.6	0	0	0	111.2	F205 L217 D219 T224	F205-L226 HydrophobicContact CD1-CD1 3.38Å; F205-L226 HydrophobicContact CE1-CD1 3.36Å; F205-L226 HydrophobicContact CG-CD1 4.41Å; F205-L226 HydrophobicContact CZ-CD1 4.38Å; L217-L226 PolarHBondContact O-N 3.17Å; D219-L226 HydrophobicContact CB-CD1 4.32Å; T224-L226 PolarHBondContact O-N 3.27Å
227	K	98	Very high	96.6	Very high	56 Å²	56	44.5 Å²	44.5	24%	0.243	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.2	-171.1	-59.1	-72.2	157.2	-178.9	0	112.2	K216 L217 Y229 M275 I276 E278	K216-K227 WeakPolarHBondContact CA-O 3.26Å; L217-K227 HydrophobicContact CB-CB 3.84Å; L217-K227 HydrophobicContact CB-CG 4.38Å; L217-K227 HydrophobicContact CD2-CG 4.23Å; L217-K227 PolarHBondContact N-O 3.4Å; L217-K227 PolarHBondContact O-N 2.88Å; K227-Y229 HydrophobicContact CB-CE1 4.45Å; K227-Y229 HydrophobicContact CB-CE2 4.15Å; K227-M275 WeakPolarHBondContact CG-O 3.4Å; K227-I276 WeakPolarHBondContact CE-O 3.38Å; K227-I276 PolarHBondContact NZ-O 3.42Å; K227-E278 HydrophobicContact CB-CG 4.14Å; K227-E278 VanDerWaalsContact CD-CD 3.48Å; K227-E278 HydrophobicContact CD-CG 3.54Å; K227-E278 WeakPolarHBondContact CD-OE1 3.49Å; K227-E278 HydrophobicContact CG-CG 4.39Å; K227-E278 IonicContact NZ-OE1 2.6Å; K227-E278 PolarHBondContact NZ-OE1 2.92Å
228	T	98.3	Very high	96.6	Very high	36 Å²	36	44.3 Å²	44.3	22%	0.221	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	103.3	175	-61.7	0	0	0	0	111	A215 K216 K230 E278	A215-T228 CarbonylContact O-C 3.59Å; A215-T228 WeakPolarHBondContact O-CA 3.49Å; K216-T228 HydrophobicContact CG-CG2 4.12Å; K216-T228 PolarHBondContact NZ-OG1 3.42Å; T228-K230 HydrophobicContact CG2-CG 4.49Å; T228-E278 PolarHBondContact N-OE2 2.86Å
229	Y	98.2	Very high	96.6	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.6	175.5	-44.8	-80.1	0	0	0	109.6	S214 A215 L217 K227 V247 Y273 M275 E278	S214-Y229 CarbonylContact C-O 3.57Å; S214-Y229 VanDerWaalsContact CA-O 3.31Å; S214-Y229 WeakPolarHBondContact CA-O 3.36Å; A215-Y229 HydrophobicContact CB-CD2 4.25Å; A215-Y229 PolarHBondContact N-O 2.93Å; A215-Y229 PolarHBondContact O-N 2.98Å; L217-Y229 HydrophobicContact CB-CE2 4.13Å; K227-Y229 HydrophobicContact CB-CE1 4.45Å; K227-Y229 HydrophobicContact CB-CE2 4.15Å; Y229-V247 HydrophobicContact CD2-CG1 4.18Å; Y229-V247 HydrophobicContact CE1-CB 4.48Å; Y229-V247 HydrophobicContact CE1-CG2 4.45Å; Y229-V247 HydrophobicContact CE2-CB 4.19Å; Y229-V247 HydrophobicContact CE2-CG1 4.03Å; Y229-V247 HydrophobicContact CE2-CG2 3.96Å; Y229-Y273 HydrophobicContact CD1-CD1 4.15Å; Y229-Y273 HydrophobicContact CD1-CG 4.02Å; Y229-Y273 HydrophobicContact CG-CG 4.48Å; Y229-M275 VanDerWaalsContact OH-CA 3.28Å; Y229-M275 WeakPolarHBondContact OH-CA 3.45Å; Y229-M275 WeakPolarHBondContact OH-CG 3.23Å; Y229-M275 PolarHBondContact OH-O 2.68Å; Y229-E278 HydrophobicContact CD1-CB 4.18Å; Y229-E278 HydrophobicContact CD1-CG 4.33Å; Y229-E278 HydrophobicContact CE1-CB 4.34Å; Y229-E278 HydrophobicContact CE1-CG 4.12Å
230	K	96.5	Very high	96.6	Very high	164 Å²	164	43.1 Å²	43.1	71%	0.713	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.4	-179.7	-66.9	178.7	-176.6	169.3	0	110.4	T228 Y273	T228-K230 HydrophobicContact CG2-CG 4.49Å; K230-Y273 PolarHBondContact O-OH 3.1Å
231	A	93.5	Very high	96.7	Very high	21 Å²	21	43.4 Å²	43.4	17%	0.174	22%	0.215	C	C	.	.			trans	-108.1	164.5	169.4	0	0	0	0	0	110.2	C213 V235	C213-A231 WeakPolarHBondContact CB-O 3.38Å; C213-A231 PolarHBondContact O-N 3.38Å; A231-V235 HydrophobicContact CB-CG2 3.61Å
232	E	90.8	Very high	96.7	Very high	110 Å²	110	37.6 Å²	37.6	51%	0.514	20%	0.198	S	C	.	.	S	Bend	trans	-82.7	-23.3	178.2	-64.5	160.5	138.2	0	0	111.5	Q267 K271	E232-Q267 VanDerWaalsContact OE2-CD 3.28Å; E232-Q267 PolarHBondContact OE2-NE2 3.07Å; E232-Q267 PolarHBondContact OE2-OE1 2.93Å; E232-Q267 VanDerWaalsContact OE2-OE1 3.09Å; E232-K271 IonicContact OE2-NZ 3.45Å; E232-K271 PolarHBondContact OE2-NZ 3.45Å
233	K	93.3	Very high	96.7	Very high	65 Å²	65	39.2 Å²	39.2	28%	0.283	20%	0.204	S	C	.	.	S	Bend	trans	-130.1	164.7	-175.3	-58.2	-55.1	-171.3	-174.8	0	111	C213 V235 L253 Q267	C213-K233 WeakPolarHBondContact CA-O 3.14Å; C213-K233 WeakPolarHBondContact CB-O 3.48Å; K233-V235 PolarHBondContact O-N 2.9Å; K233-L253 HydrophobicContact CD-CD1 3.72Å; K233-L253 HydrophobicContact CD-CD2 4.32Å; K233-L253 HydrophobicContact CD-CG 3.75Å; K233-L253 HydrophobicContact CG-CG 4.35Å; K233-Q267 HydrophobicContact CG-CB 4.24Å; K233-Q267 VanDerWaalsContact CG-OE1 3.27Å
234	P	96.1	Very high	96.5	Very high	23 Å²	23	42 Å²	42	15%	0.149	22%	0.215	C	C	.	.			trans	-49.6	134.5	175.1	-31.7	39.4	0	0	0	112.5	K211 G251 G252 L253	K211-P234 HydrophobicContact CG-CB 4.39Å; P234-G251 WeakPolarHBondContact O-CA 3.43Å; P234-G252 PolarHBondContact O-N 2.94Å; P234-L253 HydrophobicContact CG-CD2 4.38Å
235	V	97.5	Very high	96.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	176.7	-169.4	0	0	0	0	107.8	A209 S210 A231 K233 S237 L249	A209-V235 HydrophobicContact CB-CB 4.19Å; A209-V235 HydrophobicContact CB-CG1 3.67Å; S210-V235 CarbonylContact C-O 3.54Å; S210-V235 PolarHBondContact N-O 3.29Å; S210-V235 PolarHBondContact O-N 3.35Å; A231-V235 HydrophobicContact CB-CG2 3.61Å; K233-V235 PolarHBondContact O-N 2.9Å; V235-S237 WeakPolarHBondContact CG1-O 3.42Å; V235-L249 HydrophobicContact CG1-CB 3.93Å; V235-L249 HydrophobicContact CG1-CD2 4.33Å; V235-L249 HydrophobicContact CG1-CG 4.49Å; V235-L249 HydrophobicContact CG2-CD1 4.31Å
236	N	97.6	Very high	96.2	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-26.8	-178	-67.2	-18.1	0	0	0	112.1	M195 D196 G250 I291 N292	M195-N236 WeakPolarHBondContact CB-O 3.35Å; D196-N236 WeakPolarHBondContact CB-O 3.1Å; N236-G250 PolarHBondContact N-O 2.97Å; N236-I291 VanDerWaalsContact CB-O 3.29Å; N236-I291 WeakPolarHBondContact CB-O 3.49Å; N236-I291 PolarHBondContact ND2-O 3.47Å; N236-N292 PolarHBondContact ND2-OD1 2.82Å
237	S	98.1	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.2	179.7	-171.9	0	0	0	0	111.4	D196 V235 G250 M294	D196-S237 WeakPolarHBondContact OD2-CB 3.42Å; D196-S237 PolarHBondContact OD2-OG 2.89Å; V235-S237 WeakPolarHBondContact CG1-O 3.42Å; S237-G250 PolarHBondContact N-O 3.27Å; S237-G250 PolarHBondContact O-N 2.96Å; S237-M294 WeakPolarHBondContact O-CE 3.49Å; S237-M294 PolarHBondContact OG-N 2.84Å
238	V	98.3	Very high	96.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.6	174.7	58.9	0	0	0	0	108.6	C198 A207 A209 V247 V248 L249	C198-V238 HydrophobicContact CB-CG1 4.08Å; C198-V238 WeakPolarHBondContact CB-O 3.35Å; A207-V238 HydrophobicContact CB-CG1 4.08Å; A207-V238 HydrophobicContact CB-CG2 3.68Å; A209-V238 HydrophobicContact CB-CB 3.99Å; A209-V238 HydrophobicContact CB-CG1 3.94Å; V238-V247 HydrophobicContact CG2-CG1 3.67Å; V238-V248 WeakPolarHBondContact CA-O 2.97Å; V238-L249 HydrophobicContact CB-CD2 4.17Å; V238-L249 HydrophobicContact CG2-CD2 3.74Å
239	A	98	Very high	96.2	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.2	174.2	0	0	0	0	0	109.5	V248 M294 F296 L303	A239-V248 PolarHBondContact N-O 3.35Å; A239-V248 PolarHBondContact O-N 2.74Å; A239-M294 HydrophobicContact CB-CB 4.2Å; A239-M294 HydrophobicContact CB-CE 4.41Å; A239-F296 HydrophobicContact CB-CD2 3.7Å; A239-F296 HydrophobicContact CB-CE2 3.9Å; A239-L303 HydrophobicContact CB-CD1 4.45Å
240	I	97.8	Very high	96.2	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.062	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133	176.4	-53.4	176	0	0	0	108.5	T200 A207 L217 V247 M275 F296	T200-I240 HydrophobicContact CG2-CD1 3.75Å; T200-I240 HydrophobicContact CG2-CG2 3.95Å; A207-I240 HydrophobicContact CB-CD1 3.72Å; A207-I240 HydrophobicContact CB-CG1 4.03Å; L217-I240 HydrophobicContact CD1-CD1 4.1Å; I240-V247 HydrophobicContact CG1-CG2 4.48Å; I240-M275 HydrophobicContact CG2-CE 3.34Å; I240-F296 VanDerWaalsContact O-CD2 3.26Å; I240-F296 WeakPolarHBondContact O-CD2 3.48Å
241	S	96.6	Very high	96.1	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.063	14%	0.137	C	C	.	.			trans	-62.5	132.5	177.2	173.3	0	0	0	0	110.4	I243 R244 H246	S241-I243 PolarHBondContact O-N 2.97Å; S241-I243 WeakPolarHBondContact OG-CG1 3.48Å; S241-I243 PolarHBondContact OG-N 2.93Å; S241-R244 WeakPolarHBondContact CB-O 3.19Å; S241-R244 PolarHBondContact OG-N 3.38Å; S241-R244 VanDerWaalsContact OG-N 3.16Å; S241-H246 PolarHBondContact N-O 3.02Å
242	P	95.8	Very high	96	Very high	35 Å²	35	25.4 Å²	25.4	23%	0.227	13%	0.131	C	C	.	.	S	Bend	trans	-77.9	-5.8	177.9	31.2	-35	0	0	0	113.7	K201 F296	K201-P242 HydrophobicContact CD-CB 4.29Å; P242-F296 HydrophobicContact CG-CB 4.45Å
243	I	94.6	Very high	95.8	Very high	83 Å²	83	22.3 Å²	22.3	43%	0.426	12%	0.118	S	C	.	.	S	Bend	trans	-127.6	-5.8	-173.8	58.7	168.5	0	0	0	113.9	S241 S299 F322	S241-I243 PolarHBondContact O-N 2.97Å; S241-I243 WeakPolarHBondContact OG-CG1 3.48Å; S241-I243 PolarHBondContact OG-N 2.93Å; I243-S299 WeakPolarHBondContact CG2-O 3.45Å; I243-F322 HydrophobicContact CD1-CD1 4.45Å; I243-F322 HydrophobicContact CD1-CE1 3.96Å
244	R	94.1	Very high	94.9	Very high	61 Å²	61	24.2 Å²	24.2	23%	0.23	13%	0.128	C	C	.	.	S	Bend	trans	-144.8	158.6	-178.2	-68.1	-169	179.5	-130.6	-23.1	111.2	S241 H246 Y321 F322 F324	S241-R244 WeakPolarHBondContact CB-O 3.19Å; S241-R244 PolarHBondContact OG-N 3.38Å; S241-R244 VanDerWaalsContact OG-N 3.16Å; R244-H246 HydrophobicContact CB-CB 4.39Å; R244-H246 WeakPolarHBondContact CD-CE1 3.49Å; R244-H246 PolarHBondContact O-N 3.28Å; R244-Y321 PolarHBondContact NH1-O 2.77Å; R244-F322 VanDerWaalsContact NH1-C 3.31Å; R244-F322 PolarHBondContact NH1-O 2.81Å; R244-F322 VanDerWaalsContact NH2-C 3.31Å; R244-F322 VanDerWaalsContact NH2-CA 3.27Å; R244-F322 PolarHBondContact NH2-O 3.39Å; R244-F324 PolarHBondContact NH1-O 3.13Å
245	D	94.2	Very high	93.3	Very high	91 Å²	91	26.7 Å²	26.7	49%	0.487	15%	0.15	S	C	.	.	S	Bend	trans	-78.2	54.9	173.9	-65	-22	0	0	0	111	M275	D245-M275 VanDerWaalsContact C-CB 3.48Å; D245-M275 HydrophobicContact CB-CB 4.09Å; D245-M275 WeakPolarHBondContact O-CB 3.26Å; D245-M275 PolarHBondContact O-N 2.72Å
246	H	95.9	Very high	91.6	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.5	-176.7	-59.6	166.6	0	0	0	111.3	S241 R244 Y273 F281 Y321	S241-H246 PolarHBondContact N-O 3.02Å; R244-H246 HydrophobicContact CB-CB 4.39Å; R244-H246 WeakPolarHBondContact CD-CE1 3.49Å; R244-H246 PolarHBondContact O-N 3.28Å; H246-Y273 WeakPolarHBondContact CA-O 3.37Å; H246-F281 HydrophobicContact CB-CZ 4.41Å; H246-F281 AromaticContact CD2-CE1 3.89Å; H246-F281 AromaticContact CD2-CZ 3.87Å; H246-F281 AromaticContact CE1-CZ 3.58Å; H246-F281 AromaticContact CG-CZ 3.76Å; H246-F281 AromaticContact ND1-CZ 3.59Å; H246-F281 AromaticContact NE2-CZ 3.8Å; H246-Y321 AromaticContact CE1-CE2 3.88Å; H246-Y321 AromaticContact ND1-CE2 3.29Å; H246-Y321 VanDerWaalsContact ND1-CE2 3.29Å; H246-Y321 WeakPolarHBondContact ND1-CE2 3.48Å; H246-Y321 AromaticContact ND1-CZ 3.3Å; H246-Y321 VanDerWaalsContact ND1-CZ 3.3Å; H246-Y321 PolarHBondContact ND1-OH 3.1Å
247	V	97.7	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.6	175	-179.5	0	0	0	0	108.8	Y229 V238 I240 L249 Y273 M275	Y229-V247 HydrophobicContact CD2-CG1 4.18Å; Y229-V247 HydrophobicContact CE1-CB 4.48Å; Y229-V247 HydrophobicContact CE1-CG2 4.45Å; Y229-V247 HydrophobicContact CE2-CB 4.19Å; Y229-V247 HydrophobicContact CE2-CG1 4.03Å; Y229-V247 HydrophobicContact CE2-CG2 3.96Å; V238-V247 HydrophobicContact CG2-CG1 3.67Å; I240-V247 HydrophobicContact CG1-CG2 4.48Å; V247-L249 HydrophobicContact CG1-CD2 3.9Å; V247-Y273 PolarHBondContact N-O 3.23Å; V247-Y273 PolarHBondContact O-N 3.46Å; V247-M275 HydrophobicContact CG2-CB 4.1Å; V247-M275 HydrophobicContact CG2-CE 4.08Å; V247-M275 HydrophobicContact CG2-CG 4.02Å
248	V	98.1	Very high	87.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129	-178.9	-170.8	0	0	0	0	109.7	V238 A239 K271 F272 M294 F296 L303	V238-V248 WeakPolarHBondContact CA-O 2.97Å; A239-V248 PolarHBondContact N-O 3.35Å; A239-V248 PolarHBondContact O-N 2.74Å; V248-K271 CarbonylContact C-O 3.52Å; V248-K271 VanDerWaalsContact CA-O 3.29Å; V248-K271 WeakPolarHBondContact CA-O 3.21Å; V248-F272 HydrophobicContact CG1-CD1 4.48Å; V248-F272 HydrophobicContact CG1-CD2 4.29Å; V248-F272 HydrophobicContact CG1-CE1 4.34Å; V248-F272 HydrophobicContact CG1-CE2 4.11Å; V248-F272 HydrophobicContact CG1-CG 4.46Å; V248-F272 HydrophobicContact CG1-CZ 4.14Å; V248-F272 HydrophobicContact CG2-CD1 3.38Å; V248-F272 HydrophobicContact CG2-CE1 3.41Å; V248-F272 VanDerWaalsContact CG2-CE1 3.41Å; V248-F272 HydrophobicContact CG2-CG 4.01Å; V248-F272 HydrophobicContact CG2-CZ 4.03Å; V248-M294 HydrophobicContact CB-CE 4.46Å; V248-M294 HydrophobicContact CG1-CE 4.17Å; V248-M294 HydrophobicContact CG1-SD 4.12Å; V248-M294 VanDerWaalsContact O-CE 3.28Å; V248-M294 WeakPolarHBondContact O-CE 3.06Å; V248-F296 HydrophobicContact CB-CE2 4.3Å; V248-F296 HydrophobicContact CG2-CE2 3.63Å; V248-F296 HydrophobicContact CG2-CZ 3.51Å; V248-L303 HydrophobicContact CG1-CD2 3.97Å
249	L	98	Very high	85.1	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.9	179.2	-52.3	-168.6	0	0	0	110.4	A215 V235 V238 V247 S270 K271 Y273 M294	A215-L249 HydrophobicContact CB-CD1 3.82Å; A215-L249 HydrophobicContact CB-CD2 3.27Å; A215-L249 HydrophobicContact CB-CG 4.2Å; V235-L249 HydrophobicContact CG1-CB 3.93Å; V235-L249 HydrophobicContact CG1-CD2 4.33Å; V235-L249 HydrophobicContact CG1-CG 4.49Å; V235-L249 HydrophobicContact CG2-CD1 4.31Å; V238-L249 HydrophobicContact CB-CD2 4.17Å; V238-L249 HydrophobicContact CG2-CD2 3.74Å; V247-L249 HydrophobicContact CG1-CD2 3.9Å; L249-S270 CarbonylContact O-C 3.54Å; L249-S270 WeakPolarHBondContact O-CA 3.29Å; L249-K271 PolarHBondContact N-O 3Å; L249-K271 PolarHBondContact O-N 2.57Å; L249-Y273 HydrophobicContact CB-CE2 4.25Å; L249-Y273 HydrophobicContact CD1-CD2 4.03Å; L249-Y273 HydrophobicContact CD1-CE2 3.52Å; L249-Y273 HydrophobicContact CG-CD2 3.88Å; L249-Y273 HydrophobicContact CG-CE2 3.71Å; L249-M294 VanDerWaalsContact C-CE 3.47Å
250	G	97	Very high	82.9	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.2	178	0	0	0	0	0	109.8	N236 S237	N236-G250 PolarHBondContact N-O 2.97Å; S237-G250 PolarHBondContact N-O 3.27Å; S237-G250 PolarHBondContact O-N 2.96Å
251	G	94.7	Very high	80.7	Confident	6 Å²	6	56.2 Å²	56.2	6%	0.062	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-144.5	-177.9	0	0	0	0	0	111.9	P234 P290 I291	P234-G251 WeakPolarHBondContact O-CA 3.43Å; G251-P290 WeakPolarHBondContact O-CA 3.12Å; G251-I291 WeakPolarHBondContact CA-O 3.33Å; G251-I291 PolarHBondContact O-N 2.91Å; G251-I291 VanDerWaalsContact O-N 3.1Å
252	G	91.1	Very high	78.8	Confident	5 Å²	5	59.5 Å²	59.5	5%	0.052	34%	0.341	C	S	.	.			trans	133.9	-179.6	-179.6	0	0	0	0	0	112.5	P234	P234-G252 PolarHBondContact O-N 2.94Å
253	L	86.5	Confident	77	Confident	45 Å²	45	60.7 Å²	60.7	24%	0.236	35%	0.348	C	S	.	.			trans	-89.6	133.6	177.6	-74.1	174	0	0	0	112.1	K233 P234 A255 V258 G266 F268 P290	K233-L253 HydrophobicContact CD-CD1 3.72Å; K233-L253 HydrophobicContact CD-CD2 4.32Å; K233-L253 HydrophobicContact CD-CG 3.75Å; K233-L253 HydrophobicContact CG-CG 4.35Å; P234-L253 HydrophobicContact CG-CD2 4.38Å; L253-A255 PolarHBondContact O-N 2.67Å; L253-V258 HydrophobicContact CB-CG2 3.89Å; L253-V258 HydrophobicContact CD1-CG2 4.49Å; L253-G266 PolarHBondContact N-O 2.9Å; L253-F268 VanDerWaalsContact O-CE1 3.3Å; L253-F268 WeakPolarHBondContact O-CE1 3.14Å; L253-P290 VanDerWaalsContact O-CG 3.23Å; L253-P290 WeakPolarHBondContact O-CG 3.32Å
254	E	75.7	Confident	75.4	Confident	105 Å²	105	66.8 Å²	66.8	49%	0.491	37%	0.365	S	S	.	.			trans	-58.9	139.5	172.1	-67	-179.2	-173.8	0	0	110.6	M256 S257	E254-M256 PolarHBondContact O-N 2.92Å; E254-S257 WeakPolarHBondContact O-CB 3.24Å; E254-S257 PolarHBondContact O-N 3.24Å; E254-S257 PolarHBondContact O-OG 3.47Å
255	A	62.2	Low	73.8	Confident	74 Å²	74	69.1 Å²	69.1	61%	0.612	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55.3	-30.7	-175.7	0	0	0	0	0	113.5	L253 S257 V258	L253-A255 PolarHBondContact O-N 2.67Å; A255-S257 PolarHBondContact O-N 3.43Å; A255-S257 VanDerWaalsContact O-N 3.12Å; A255-V258 PolarHBondContact O-N 3.26Å
256	M	60.8	Low	72.4	Confident	180 Å²	180	64.9 Å²	64.9	89%	0.887	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-60.3	-21.3	175	-77.6	-168.6	-77.9	0	0	113.8	E254	E254-M256 PolarHBondContact O-N 2.92Å
257	S	56.1	Low	71.6	Confident	72 Å²	72	66.6 Å²	66.6	50%	0.503	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-93.9	-8.6	177.1	68.7	0	0	0	0	114	E254 A255	E254-S257 WeakPolarHBondContact O-CB 3.24Å; E254-S257 PolarHBondContact O-N 3.24Å; E254-S257 PolarHBondContact O-OG 3.47Å; A255-S257 PolarHBondContact O-N 3.43Å; A255-S257 VanDerWaalsContact O-N 3.12Å
258	V	51.2	Low	71	Confident	33 Å²	33	67.8 Å²	67.8	20%	0.2	37%	0.37	C	S	.	.			trans	-111.3	105.6	-177.7	-165.8	0	0	0	0	108.7	L253 A255 T260	L253-V258 HydrophobicContact CB-CG2 3.89Å; L253-V258 HydrophobicContact CD1-CG2 4.49Å; A255-V258 PolarHBondContact O-N 3.26Å; V258-T260 VanDerWaalsContact CG1-O 3.28Å; V258-T260 WeakPolarHBondContact CG1-O 2.95Å; V258-T260 PolarHBondContact O-N 3.26Å
259	T	51	Low	70.7	Confident	147 Å²	147	69.4 Å²	69.4	90%	0.902	38%	0.377	S	S	*	.	S	Bend	trans	-71.9	-1.5	179.2	45	0	0	0	0	114
260	T	52.5	Low	70.6	Confident	66 Å²	66	69.2 Å²	69.2	41%	0.405	38%	0.376	S	S	.	.	S	Bend	trans	-133	141.1	-175.9	71.6	0	0	0	0	111.9	V258 D262 Q265	V258-T260 VanDerWaalsContact CG1-O 3.28Å; V258-T260 WeakPolarHBondContact CG1-O 2.95Å; V258-T260 PolarHBondContact O-N 3.26Å; T260-D262 PolarHBondContact O-N 2.89Å; T260-D262 VanDerWaalsContact O-N 3.08Å; T260-Q265 PolarHBondContact OG1-OE1 3.24Å
261	T	51.6	Low	70.5	Confident	154 Å²	154	69.7 Å²	69.7	95%	0.945	38%	0.378	S	S	*	.			trans	-75.6	15.3	-174	45.4	0	0	0	0	114.7	T263	T261-T263 PolarHBondContact O-N 2.87Å
262	D	56.2	Low	70.6	Confident	78 Å²	78	69.7 Å²	69.7	42%	0.417	38%	0.376	S	S	.	.			trans	-84.7	111.7	-177.9	-164.2	-11.3	0	0	0	110.9	T260 R264 Q265	T260-D262 PolarHBondContact O-N 2.89Å; T260-D262 VanDerWaalsContact O-N 3.08Å; D262-R264 PolarHBondContact O-N 3.27Å; D262-R264 VanDerWaalsContact O-N 3.14Å; D262-R264 PolarHBondContact OD1-N 2.76Å; D262-Q265 HydrophobicContact CB-CG 4.28Å; D262-Q265 PolarHBondContact O-N 2.88Å
263	T	58.2	Low	70.9	Confident	60 Å²	60	69.8 Å²	69.8	37%	0.368	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-27.4	178.9	51.8	0	0	0	0	112.8	T261 Q265 G266 F288	T261-T263 PolarHBondContact O-N 2.87Å; T263-Q265 VanDerWaalsContact C-N 3.32Å; T263-Q265 PolarHBondContact O-N 2.93Å; T263-G266 PolarHBondContact O-N 3.09Å; T263-F288 HydrophobicContact CG2-CD1 3.4Å; T263-F288 VanDerWaalsContact CG2-CD1 3.4Å; T263-F288 HydrophobicContact CG2-CE1 3.73Å; T263-F288 HydrophobicContact CG2-CG 4.45Å
264	R	60.2	Low	71.4	Confident	212 Å²	212	68.7 Å²	68.7	80%	0.8	37%	0.368	S	S	*	.	H	α-helix	trans	-68.7	-29.2	178.3	-67.8	-174.7	174.8	-172.1	-1.3	112.8	D262	D262-R264 PolarHBondContact O-N 3.27Å; D262-R264 VanDerWaalsContact O-N 3.14Å; D262-R264 PolarHBondContact OD1-N 2.76Å
265	Q	61.7	Low	72.3	Confident	110 Å²	110	64.2 Å²	64.2	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-76.5	-28.5	178	-68.4	-168.6	5.8	0	0	112.7	T260 D262 T263	T260-Q265 PolarHBondContact OG1-OE1 3.24Å; D262-Q265 HydrophobicContact CB-CG 4.28Å; D262-Q265 PolarHBondContact O-N 2.88Å; T263-Q265 VanDerWaalsContact C-N 3.32Å; T263-Q265 PolarHBondContact O-N 2.93Å
266	G	64.8	Low	73.9	Confident	1 Å²	1	65 Å²	65	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-74.2	-23.9	-179.7	0	0	0	0	0	114.9	L253 T263 F268	L253-G266 PolarHBondContact N-O 2.9Å; T263-G266 PolarHBondContact O-N 3.09Å; G266-F268 VanDerWaalsContact CA-CZ 3.45Å; G266-F268 WeakPolarHBondContact O-CD1 3.08Å; G266-F268 WeakPolarHBondContact O-CE1 3.46Å
267	Q	78	Confident	75.5	Confident	45 Å²	45	60.7 Å²	60.7	21%	0.21	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	58.7	-177.8	-64	-175.2	-25.2	0	0	113	E232 K233 E269	E232-Q267 VanDerWaalsContact OE2-CD 3.28Å; E232-Q267 PolarHBondContact OE2-NE2 3.07Å; E232-Q267 PolarHBondContact OE2-OE1 2.93Å; E232-Q267 VanDerWaalsContact OE2-OE1 3.09Å; K233-Q267 HydrophobicContact CG-CB 4.24Å; K233-Q267 VanDerWaalsContact CG-OE1 3.27Å; Q267-E269 PolarHBondContact O-N 3.49Å
268	F	86.4	Confident	77.4	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	31%	0.308	C	S	.	.			trans	-89.2	40.9	-176.6	-52.5	-42.6	0	0	0	113.2	L253 G266 H287 G289 P290	L253-F268 VanDerWaalsContact O-CE1 3.3Å; L253-F268 WeakPolarHBondContact O-CE1 3.14Å; G266-F268 VanDerWaalsContact CA-CZ 3.45Å; G266-F268 WeakPolarHBondContact O-CD1 3.08Å; G266-F268 WeakPolarHBondContact O-CE1 3.46Å; F268-H287 HydrophobicContact CB-CB 4.37Å; F268-G289 VanDerWaalsContact CB-O 3.24Å; F268-G289 WeakPolarHBondContact CB-O 3.2Å; F268-G289 WeakPolarHBondContact CD1-O 3.31Å; F268-G289 VanDerWaalsContact CG-O 3.23Å; F268-G289 WeakPolarHBondContact CG-O 3.48Å; F268-P290 HydrophobicContact CD1-CG 4.29Å; F268-P290 VanDerWaalsContact CD1-N 3.34Å; F268-P290 HydrophobicContact CE1-CG 3.91Å
269	E	91.8	Very high	79.4	Confident	33 Å²	33	63 Å²	63	15%	0.154	32%	0.321	C	S	.	.			trans	-111.3	147.1	-173.9	61.7	-164.2	169.4	0	0	111.4	Q267 K271 R283 L284 P285	Q267-E269 PolarHBondContact O-N 3.49Å; E269-K271 HydrophobicContact CG-CG 4.17Å; E269-R283 WeakPolarHBondContact OE1-CD 3.47Å; E269-R283 IonicContact OE1-CZ 3.42Å; E269-R283 IonicContact OE1-NE 3.58Å; E269-R283 IonicContact OE1-NH1 2.74Å; E269-R283 PolarHBondContact OE1-NH1 2.81Å; E269-R283 WeakPolarHBondContact OE2-CD 3.47Å; E269-L284 WeakPolarHBondContact CA-O 3.08Å; E269-P285 HydrophobicContact CB-CB 4.46Å
270	S	95	Very high	81.5	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121	168.8	-63.1	0	0	0	0	108.7	L249 R283 L284 I291 M294	L249-S270 CarbonylContact O-C 3.54Å; L249-S270 WeakPolarHBondContact O-CA 3.29Å; S270-R283 CarbonylContact O-C 3.55Å; S270-R283 WeakPolarHBondContact O-CA 3.38Å; S270-L284 PolarHBondContact N-O 3.49Å; S270-L284 PolarHBondContact O-N 3.24Å; S270-I291 VanDerWaalsContact OG-CD1 3.3Å; S270-I291 WeakPolarHBondContact OG-CD1 3.21Å; S270-M294 PolarHBondContact OG-SD 2.94Å; S270-M294 VanDerWaalsContact OG-SD 3.36Å
271	K	95.8	Very high	83.5	Confident	12 Å²	12	58.4 Å²	58.4	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.8	-179	-64.4	-173.9	171.3	-157.2	0	110.3	E232 V248 L249 E269 Y273 E280 R283	E232-K271 IonicContact OE2-NZ 3.45Å; E232-K271 PolarHBondContact OE2-NZ 3.45Å; V248-K271 CarbonylContact C-O 3.52Å; V248-K271 VanDerWaalsContact CA-O 3.29Å; V248-K271 WeakPolarHBondContact CA-O 3.21Å; L249-K271 PolarHBondContact N-O 3Å; L249-K271 PolarHBondContact O-N 2.57Å; E269-K271 HydrophobicContact CG-CG 4.17Å; K271-Y273 HydrophobicContact CB-CD2 4.38Å; K271-Y273 HydrophobicContact CB-CE2 3.62Å; K271-E280 HydrophobicContact CB-CG 4.45Å; K271-E280 WeakPolarHBondContact CD-OE2 3.38Å; K271-E280 IonicContact NZ-OE2 3.26Å; K271-E280 PolarHBondContact NZ-OE2 2.9Å; K271-R283 HydrophobicContact CG-CG 4.46Å
272	F	96.6	Very high	85.4	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.4	-178.8	-69	-107.9	0	0	0	109.9	V248 E280 F281 A282 L284 F296 L303 L317 Y321	V248-F272 HydrophobicContact CG1-CD1 4.48Å; V248-F272 HydrophobicContact CG1-CD2 4.29Å; V248-F272 HydrophobicContact CG1-CE1 4.34Å; V248-F272 HydrophobicContact CG1-CE2 4.11Å; V248-F272 HydrophobicContact CG1-CG 4.46Å; V248-F272 HydrophobicContact CG1-CZ 4.14Å; V248-F272 HydrophobicContact CG2-CD1 3.38Å; V248-F272 HydrophobicContact CG2-CE1 3.41Å; V248-F272 VanDerWaalsContact CG2-CE1 3.41Å; V248-F272 HydrophobicContact CG2-CG 4.01Å; V248-F272 HydrophobicContact CG2-CZ 4.03Å; F272-E280 CarbonylContact O-C 3.59Å; F272-E280 WeakPolarHBondContact O-CA 3.37Å; F272-F281 HydrophobicContact CB-CD1 4.35Å; F272-F281 HydrophobicContact CB-CE1 3.85Å; F272-F281 HydrophobicContact CB-CE2 4.01Å; F272-F281 HydrophobicContact CB-CZ 3.65Å; F272-F281 HydrophobicContact CD1-CZ 4.38Å; F272-F281 HydrophobicContact CG-CZ 4.45Å; F272-F281 WeakPolarHBondContact O-CD1 3.3Å; F272-F281 PolarHBondContact O-N 3.46Å; F272-A282 HydrophobicContact CB-CB 4.01Å; F272-A282 HydrophobicContact CD2-CB 4.22Å; F272-A282 HydrophobicContact CG-CB 4.27Å; F272-A282 PolarHBondContact N-O 2.88Å; F272-L284 HydrophobicContact CE2-CB 3.92Å; F272-F296 HydrophobicContact CE1-CZ 4.39Å; F272-L303 HydrophobicContact CZ-CD2 3.95Å; F272-L317 HydrophobicContact CE1-CD2 4.32Å; F272-L317 HydrophobicContact CZ-CD2 3.93Å; F272-Y321 HydrophobicContact CD1-CD2 4.19Å; F272-Y321 AromaticContact CD1-CE2 3.57Å; F272-Y321 HydrophobicContact CD1-CE2 3.57Å; F272-Y321 HydrophobicContact CE1-CD2 4.23Å; F272-Y321 AromaticContact CE1-CE2 3.69Å; F272-Y321 HydrophobicContact CE1-CE2 3.69Å
273	Y	97.2	Very high	87.2	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.027	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.9	178.8	-65.9	-98.5	0	0	0	110.7	Y229 K230 H246 V247 L249 K271 M275 E278 D279 E280 F281	Y229-Y273 HydrophobicContact CD1-CD1 4.15Å; Y229-Y273 HydrophobicContact CD1-CG 4.02Å; Y229-Y273 HydrophobicContact CG-CG 4.48Å; K230-Y273 PolarHBondContact O-OH 3.1Å; H246-Y273 WeakPolarHBondContact CA-O 3.37Å; V247-Y273 PolarHBondContact N-O 3.23Å; V247-Y273 PolarHBondContact O-N 3.46Å; L249-Y273 HydrophobicContact CB-CE2 4.25Å; L249-Y273 HydrophobicContact CD1-CD2 4.03Å; L249-Y273 HydrophobicContact CD1-CE2 3.52Å; L249-Y273 HydrophobicContact CG-CD2 3.88Å; L249-Y273 HydrophobicContact CG-CE2 3.71Å; K271-Y273 HydrophobicContact CB-CD2 4.38Å; K271-Y273 HydrophobicContact CB-CE2 3.62Å; Y273-M275 PolarHBondContact O-N 3.35Å; Y273-E278 WeakPolarHBondContact CD1-O 3.46Å; Y273-D279 CarbonylContact C-O 3.55Å; Y273-D279 WeakPolarHBondContact CA-O 3.34Å; Y273-E280 HydrophobicContact CD1-CB 3.96Å; Y273-E280 HydrophobicContact CE1-CB 3.66Å; Y273-E280 HydrophobicContact CE1-CG 4.18Å; Y273-E280 HydrophobicContact CE2-CG 4.42Å; Y273-F281 VanDerWaalsContact C-CE1 3.45Å
274	H	95.7	Very high	88.8	Confident	21 Å²	21	53.8 Å²	53.8	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.4	167.2	-167.5	-65.9	0	0	0	109.2	I276 F277 E278 D279 F281 F326	H274-I276 VanDerWaalsContact C-N 3.34Å; H274-I276 PolarHBondContact ND1-N 2.84Å; H274-I276 VanDerWaalsContact ND1-N 3.16Å; H274-I276 PolarHBondContact O-N 3.15Å; H274-F277 HydrophobicContact CB-CB 4.35Å; H274-F277 HydrophobicContact CB-CD2 4.33Å; H274-F277 AromaticContact CD2-CD2 3.84Å; H274-F277 AromaticContact CE1-CD2 3.46Å; H274-F277 VanDerWaalsContact CE1-CD2 3.46Å; H274-F277 WeakPolarHBondContact CE1-CD2 3.26Å; H274-F277 AromaticContact CE1-CE2 3.6Å; H274-F277 AromaticContact CG-CD2 3.59Å; H274-F277 AromaticContact ND1-CD2 3.34Å; H274-F277 VanDerWaalsContact ND1-CD2 3.34Å; H274-F277 WeakPolarHBondContact ND1-CD2 3.38Å; H274-F277 AromaticContact ND1-CE2 3.98Å; H274-F277 PolarHBondContact ND1-N 2.89Å; H274-F277 AromaticContact NE2-CD2 3.76Å; H274-F277 AromaticContact NE2-CE2 3.78Å; H274-E278 WeakPolarHBondContact O-CA 3.36Å; H274-E278 PolarHBondContact O-N 2.78Å; H274-D279 PolarHBondContact N-O 2.83Å; H274-F281 HydrophobicContact CB-CD1 4.5Å; H274-F326 HydrophobicContact CB-CD2 4.22Å; H274-F326 HydrophobicContact CB-CE2 4.34Å; H274-F326 AromaticContact CD2-CD2 3.69Å; H274-F326 AromaticContact CD2-CG 3.95Å
275	M	95.8	Very high	90.3	Very high	12 Å²	12	48 Å²	48	6%	0.059	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-41.6	-172.6	-174.4	-176.2	-64.3	0	0	112.1	T200 F205 L217 K227 Y229 I240 D245 V247 Y273	T200-M275 HydrophobicContact CG2-CE 4.41Å; F205-M275 HydrophobicContact CD2-SD 4.31Å; L217-M275 HydrophobicContact CD2-CG 3.71Å; L217-M275 HydrophobicContact CD2-SD 4Å; K227-M275 WeakPolarHBondContact CG-O 3.4Å; Y229-M275 VanDerWaalsContact OH-CA 3.28Å; Y229-M275 WeakPolarHBondContact OH-CA 3.45Å; Y229-M275 WeakPolarHBondContact OH-CG 3.23Å; Y229-M275 PolarHBondContact OH-O 2.68Å; I240-M275 HydrophobicContact CG2-CE 3.34Å; D245-M275 VanDerWaalsContact C-CB 3.48Å; D245-M275 HydrophobicContact CB-CB 4.09Å; D245-M275 WeakPolarHBondContact O-CB 3.26Å; D245-M275 PolarHBondContact O-N 2.72Å; V247-M275 HydrophobicContact CG2-CB 4.1Å; V247-M275 HydrophobicContact CG2-CE 4.08Å; V247-M275 HydrophobicContact CG2-CG 4.02Å; Y273-M275 PolarHBondContact O-N 3.35Å
276	I	94.6	Very high	91.5	Very high	89 Å²	89	44.3 Å²	44.3	46%	0.456	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-45.9	-178.8	-57.1	175.2	0	0	0	112.4	K227 H274	K227-I276 WeakPolarHBondContact CE-O 3.38Å; K227-I276 PolarHBondContact NZ-O 3.42Å; H274-I276 VanDerWaalsContact C-N 3.34Å; H274-I276 PolarHBondContact ND1-N 2.84Å; H274-I276 VanDerWaalsContact ND1-N 3.16Å; H274-I276 PolarHBondContact O-N 3.15Å
277	F	94.7	Very high	92.8	Very high	91 Å²	91	44.7 Å²	44.7	40%	0.399	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.3	-171.3	-57.9	-63.5	0	0	0	114.6	H274 D279 F326	H274-F277 HydrophobicContact CB-CB 4.35Å; H274-F277 HydrophobicContact CB-CD2 4.33Å; H274-F277 AromaticContact CD2-CD2 3.84Å; H274-F277 AromaticContact CE1-CD2 3.46Å; H274-F277 VanDerWaalsContact CE1-CD2 3.46Å; H274-F277 WeakPolarHBondContact CE1-CD2 3.26Å; H274-F277 AromaticContact CE1-CE2 3.6Å; H274-F277 AromaticContact CG-CD2 3.59Å; H274-F277 AromaticContact ND1-CD2 3.34Å; H274-F277 VanDerWaalsContact ND1-CD2 3.34Å; H274-F277 WeakPolarHBondContact ND1-CD2 3.38Å; H274-F277 AromaticContact ND1-CE2 3.98Å; H274-F277 PolarHBondContact ND1-N 2.89Å; H274-F277 AromaticContact NE2-CD2 3.76Å; H274-F277 AromaticContact NE2-CE2 3.78Å; F277-D279 PolarHBondContact O-N 3.02Å; F277-F326 HydrophobicContact CB-CE1 4.25Å; F277-F326 HydrophobicContact CB-CE2 4.19Å; F277-F326 HydrophobicContact CB-CZ 3.83Å; F277-F326 HydrophobicContact CD1-CE1 4.22Å; F277-F326 HydrophobicContact CD2-CB 4.3Å; F277-F326 AromaticContact CD2-CD1 3.35Å; F277-F326 HydrophobicContact CD2-CD1 3.35Å; F277-F326 AromaticContact CD2-CD2 3.83Å; F277-F326 HydrophobicContact CD2-CD2 3.83Å; F277-F326 AromaticContact CD2-CE1 3.41Å; F277-F326 HydrophobicContact CD2-CE1 3.41Å; F277-F326 VanDerWaalsContact CD2-CE1 3.41Å; F277-F326 AromaticContact CD2-CE2 3.89Å; F277-F326 HydrophobicContact CD2-CE2 3.89Å; F277-F326 AromaticContact CD2-CG 3.55Å; F277-F326 HydrophobicContact CD2-CG 3.55Å; F277-F326 AromaticContact CD2-CZ 3.68Å; F277-F326 HydrophobicContact CD2-CZ 3.68Å; F277-F326 HydrophobicContact CE1-CE1 4.48Å; F277-F326 HydrophobicContact CE2-CB 4.04Å; F277-F326 AromaticContact CE2-CD1 3.29Å; F277-F326 HydrophobicContact CE2-CD1 3.29Å; F277-F326 HydrophobicContact CE2-CD2 4.38Å; F277-F326 AromaticContact CE2-CE1 3.74Å; F277-F326 HydrophobicContact CE2-CE1 3.74Å; F277-F326 AromaticContact CE2-CG 3.65Å; F277-F326 HydrophobicContact CE2-CG 3.65Å; F277-F326 HydrophobicContact CE2-CZ 4.44Å; F277-F326 HydrophobicContact CG-CD1 4.12Å; F277-F326 AromaticContact CG-CE1 3.7Å; F277-F326 HydrophobicContact CG-CE1 3.7Å; F277-F326 HydrophobicContact CG-CE2 4.31Å; F277-F326 AromaticContact CG-CZ 3.8Å; F277-F326 HydrophobicContact CG-CZ 3.8Å; F277-F326 AromaticContact CZ-CD1 4Å; F277-F326 HydrophobicContact CZ-CD1 4Å; F277-F326 HydrophobicContact CZ-CE1 4.26Å
278	E	95.4	Very high	93.3	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.308	25%	0.251	S	S	.	.			trans	67	11.1	179.4	-51.5	170.4	-124.3	0	0	114.2	K227 T228 Y229 Y273 H274	K227-E278 HydrophobicContact CB-CG 4.14Å; K227-E278 VanDerWaalsContact CD-CD 3.48Å; K227-E278 HydrophobicContact CD-CG 3.54Å; K227-E278 WeakPolarHBondContact CD-OE1 3.49Å; K227-E278 HydrophobicContact CG-CG 4.39Å; K227-E278 IonicContact NZ-OE1 2.6Å; K227-E278 PolarHBondContact NZ-OE1 2.92Å; T228-E278 PolarHBondContact N-OE2 2.86Å; Y229-E278 HydrophobicContact CD1-CB 4.18Å; Y229-E278 HydrophobicContact CD1-CG 4.33Å; Y229-E278 HydrophobicContact CE1-CB 4.34Å; Y229-E278 HydrophobicContact CE1-CG 4.12Å; Y273-E278 WeakPolarHBondContact CD1-O 3.46Å; H274-E278 WeakPolarHBondContact O-CA 3.36Å; H274-E278 PolarHBondContact O-N 2.78Å
279	D	94.2	Very high	93.5	Very high	87 Å²	87	48.6 Å²	48.6	47%	0.465	25%	0.248	S	C	.	.			trans	-90.2	134.9	-177.7	-71.9	-31	0	0	0	112.1	Y273 H274 F277 F326	Y273-D279 CarbonylContact C-O 3.55Å; Y273-D279 WeakPolarHBondContact CA-O 3.34Å; H274-D279 PolarHBondContact N-O 2.83Å; F277-D279 PolarHBondContact O-N 3.02Å; D279-F326 HydrophobicContact CB-CE2 4.21Å; D279-F326 HydrophobicContact CB-CZ 4.46Å; D279-F326 WeakPolarHBondContact OD2-CZ 3.4Å
280	E	94.6	Very high	93.6	Very high	69 Å²	69	47 Å²	47	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.2	172.9	-165.5	-166.9	114.2	0	0	109.5	K271 F272 Y273 R283	K271-E280 HydrophobicContact CB-CG 4.45Å; K271-E280 WeakPolarHBondContact CD-OE2 3.38Å; K271-E280 IonicContact NZ-OE2 3.26Å; K271-E280 PolarHBondContact NZ-OE2 2.9Å; F272-E280 CarbonylContact O-C 3.59Å; F272-E280 WeakPolarHBondContact O-CA 3.37Å; Y273-E280 HydrophobicContact CD1-CB 3.96Å; Y273-E280 HydrophobicContact CE1-CB 3.66Å; Y273-E280 HydrophobicContact CE1-CG 4.18Å; Y273-E280 HydrophobicContact CE2-CG 4.42Å; E280-R283 IonicContact OE1-CZ 3.19Å; E280-R283 IonicContact OE1-NE 2.63Å; E280-R283 PolarHBondContact OE1-NE 2.55Å; E280-R283 IonicContact OE1-NH2 2.89Å; E280-R283 PolarHBondContact OE1-NH2 2.63Å; E280-R283 IonicContact OE2-NH2 3.35Å; E280-R283 PolarHBondContact OE2-NH2 3.37Å
281	F	94	Very high	93.7	Very high	48 Å²	48	47.1 Å²	47.1	21%	0.211	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-16.7	-178.4	69.1	-93.3	0	0	0	114.3	H246 F272 Y273 H274 Y321 F324	H246-F281 HydrophobicContact CB-CZ 4.41Å; H246-F281 AromaticContact CD2-CE1 3.89Å; H246-F281 AromaticContact CD2-CZ 3.87Å; H246-F281 AromaticContact CE1-CZ 3.58Å; H246-F281 AromaticContact CG-CZ 3.76Å; H246-F281 AromaticContact ND1-CZ 3.59Å; H246-F281 AromaticContact NE2-CZ 3.8Å; F272-F281 HydrophobicContact CB-CD1 4.35Å; F272-F281 HydrophobicContact CB-CE1 3.85Å; F272-F281 HydrophobicContact CB-CE2 4.01Å; F272-F281 HydrophobicContact CB-CZ 3.65Å; F272-F281 HydrophobicContact CD1-CZ 4.38Å; F272-F281 HydrophobicContact CG-CZ 4.45Å; F272-F281 WeakPolarHBondContact O-CD1 3.3Å; F272-F281 PolarHBondContact O-N 3.46Å; Y273-F281 VanDerWaalsContact C-CE1 3.45Å; H274-F281 HydrophobicContact CB-CD1 4.5Å; F281-Y321 HydrophobicContact CE2-CD2 4.15Å; F281-Y321 HydrophobicContact CE2-CE2 4.22Å; F281-Y321 HydrophobicContact CZ-CD2 4.47Å; F281-Y321 HydrophobicContact CZ-CE2 4.08Å; F281-F324 HydrophobicContact CB-CE1 4Å; F281-F324 HydrophobicContact CB-CE2 3.81Å; F281-F324 HydrophobicContact CB-CZ 3.43Å; F281-F324 VanDerWaalsContact CB-CZ 3.43Å; F281-F324 AromaticContact CD1-CE1 3.87Å; F281-F324 HydrophobicContact CD1-CE1 3.87Å; F281-F324 HydrophobicContact CD1-CZ 4.17Å; F281-F324 AromaticContact CD2-CD1 3.71Å; F281-F324 HydrophobicContact CD2-CD1 3.71Å; F281-F324 HydrophobicContact CD2-CD2 4.06Å; F281-F324 AromaticContact CD2-CE1 3.64Å; F281-F324 HydrophobicContact CD2-CE1 3.64Å; F281-F324 HydrophobicContact CD2-CE2 4.01Å; F281-F324 AromaticContact CD2-CG 3.92Å; F281-F324 HydrophobicContact CD2-CG 3.92Å; F281-F324 AromaticContact CD2-CZ 3.8Å; F281-F324 HydrophobicContact CD2-CZ 3.8Å; F281-F324 HydrophobicContact CE1-CE1 4.2Å; F281-F324 AromaticContact CE2-CD1 3.75Å; F281-F324 HydrophobicContact CE2-CD1 3.75Å; F281-F324 HydrophobicContact CE2-CE1 4.01Å; F281-F324 HydrophobicContact CE2-CG 4.12Å; F281-F324 HydrophobicContact CG-CD1 4.13Å; F281-F324 AromaticContact CG-CE1 3.56Å; F281-F324 HydrophobicContact CG-CE1 3.56Å; F281-F324 HydrophobicContact CG-CE2 4.1Å; F281-F324 AromaticContact CG-CZ 3.55Å; F281-F324 HydrophobicContact CG-CZ 3.55Å; F281-F324 HydrophobicContact CZ-CD1 4.18Å; F281-F324 HydrophobicContact CZ-CE1 4.27Å
282	A	93.4	Very high	93.8	Very high	38 Å²	38	48 Å²	48	31%	0.314	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.4	177.3	0	0	0	0	0	113.1	F272	F272-A282 HydrophobicContact CB-CB 4.01Å; F272-A282 HydrophobicContact CD2-CB 4.22Å; F272-A282 HydrophobicContact CG-CB 4.27Å; F272-A282 PolarHBondContact N-O 2.88Å
283	R	92.8	Very high	93.8	Very high	111 Å²	111	47.7 Å²	47.7	42%	0.419	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.9	175.5	-67.2	173.9	179.1	-147.4	4.7	109.9	E269 S270 K271 E280	E269-R283 WeakPolarHBondContact OE1-CD 3.47Å; E269-R283 IonicContact OE1-CZ 3.42Å; E269-R283 IonicContact OE1-NE 3.58Å; E269-R283 IonicContact OE1-NH1 2.74Å; E269-R283 PolarHBondContact OE1-NH1 2.81Å; E269-R283 WeakPolarHBondContact OE2-CD 3.47Å; S270-R283 CarbonylContact O-C 3.55Å; S270-R283 WeakPolarHBondContact O-CA 3.38Å; K271-R283 HydrophobicContact CG-CG 4.46Å; E280-R283 IonicContact OE1-CZ 3.19Å; E280-R283 IonicContact OE1-NE 2.63Å; E280-R283 PolarHBondContact OE1-NE 2.55Å; E280-R283 IonicContact OE1-NH2 2.89Å; E280-R283 PolarHBondContact OE1-NH2 2.63Å; E280-R283 IonicContact OE2-NH2 3.35Å; E280-R283 PolarHBondContact OE2-NH2 3.37Å
284	L	92.5	Very high	93.8	Very high	46 Å²	46	47.9 Å²	47.9	24%	0.241	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	99.4	175.6	-178.8	69.7	0	0	0	109.7	E269 S270 F272 L303 N315	E269-L284 WeakPolarHBondContact CA-O 3.08Å; S270-L284 PolarHBondContact N-O 3.49Å; S270-L284 PolarHBondContact O-N 3.24Å; F272-L284 HydrophobicContact CE2-CB 3.92Å; L284-L303 HydrophobicContact CD2-CD2 4.31Å; L284-N315 HydrophobicContact CD2-CB 3.66Å
285	P	91.3	Very high	93.9	Very high	90 Å²	90	47.5 Å²	47.5	58%	0.584	25%	0.247	S	C	*	.			trans	-82.2	158.3	178.1	33.6	-34.9	0	0	0	111.7	E269	E269-P285 HydrophobicContact CB-CB 4.46Å
286	G	87.7	Confident	94	Very high	32 Å²	32	48 Å²	48	33%	0.33	25%	0.249	S	C	.	.			trans	169.3	-30	167.6	0	0	0	0	0	116.2	R313	G286-R313 VanDerWaalsContact C-NE 3.3Å; G286-R313 PolarHBondContact O-NE 3.03Å; G286-R313 PolarHBondContact O-NH2 3.1Å
287	H	91.2	Very high	94.2	Very high	9 Å²	9	45 Å²	45	4%	0.042	23%	0.233	C	C	.	.			trans	-78.8	151.3	-178	-77.2	-91.5	0	0	0	113.2	F268 G289 I291 T305 G307 D309 N311 R313	F268-H287 HydrophobicContact CB-CB 4.37Å; H287-G289 WeakPolarHBondContact CB-O 3.46Å; H287-I291 HydrophobicContact CB-CG1 4.31Å; H287-T305 PolarHBondContact CD2-OG1 2.74Å; H287-T305 PolarHBondContact CE1-O 3.22Å; H287-T305 VanDerWaalsContact CE1-O 3.3Å; H287-T305 WeakPolarHBondContact NE2-CB 3.18Å; H287-T305 PolarHBondContact NE2-O 2.72Å; H287-T305 PolarHBondContact NE2-OG1 2.95Å; H287-G307 PolarHBondContact CE1-N 3.29Å; H287-G307 VanDerWaalsContact CE1-N 3.26Å; H287-G307 WeakPolarHBondContact ND1-CA 3.38Å; H287-D309 IonicContact CE1-OD1 3.67Å; H287-D309 IonicContact CG-OD1 3.91Å; H287-D309 IonicContact ND1-OD1 2.84Å; H287-D309 PolarHBondContact ND1-OD1 3.18Å; H287-D309 IonicContact ND1-OD2 3.76Å; H287-N311 PolarHBondContact CE1-O 2.83Å; H287-R313 PolarHBondContact CE1-NH1 2.86Å; H287-R313 VanDerWaalsContact CG-NH1 3.35Å; H287-R313 PolarHBondContact ND1-NH1 2.88Å
288	F	88.6	Confident	94.2	Very high	146 Å²	146	42.8 Å²	42.8	64%	0.64	23%	0.228	S	C	*	.	S	Bend	trans	-105.5	62.8	172.9	-66.8	-87.6	0	0	0	110	T263 D309	T263-F288 HydrophobicContact CG2-CD1 3.4Å; T263-F288 VanDerWaalsContact CG2-CD1 3.4Å; T263-F288 HydrophobicContact CG2-CE1 3.73Å; T263-F288 HydrophobicContact CG2-CG 4.45Å; F288-D309 HydrophobicContact CB-CB 4.27Å
289	G	91.3	Very high	94.2	Very high	6 Å²	6	42 Å²	42	6%	0.062	23%	0.23	C	C	.	.	S	Bend	trans	142	167.9	-173.9	0	0	0	0	0	110.6	F268 H287 I291	F268-G289 VanDerWaalsContact CB-O 3.24Å; F268-G289 WeakPolarHBondContact CB-O 3.2Å; F268-G289 WeakPolarHBondContact CD1-O 3.31Å; F268-G289 VanDerWaalsContact CG-O 3.23Å; F268-G289 WeakPolarHBondContact CG-O 3.48Å; H287-G289 WeakPolarHBondContact CB-O 3.46Å; G289-I291 PolarHBondContact O-N 2.88Å
290	P	93.8	Very high	94.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.208	C	C	.	.			trans	-51.9	140.9	-177.8	-28.2	35.1	0	0	0	113.1	G251 L253 F268 N292 G307 E308	G251-P290 WeakPolarHBondContact O-CA 3.12Å; L253-P290 VanDerWaalsContact O-CG 3.23Å; L253-P290 WeakPolarHBondContact O-CG 3.32Å; F268-P290 HydrophobicContact CD1-CG 4.29Å; F268-P290 VanDerWaalsContact CD1-N 3.34Å; F268-P290 HydrophobicContact CE1-CG 3.91Å; P290-N292 PolarHBondContact O-N 3.05Å; P290-G307 CarbonylContact O-C 3.57Å; P290-G307 VanDerWaalsContact O-CA 3.31Å; P290-G307 WeakPolarHBondContact O-CA 3.28Å; P290-E308 PolarHBondContact O-N 3.37Å
291	I	96.4	Very high	94.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.6	167.3	-57.5	177.6	0	0	0	106.8	N236 G251 S270 H287 G289 M294	N236-I291 VanDerWaalsContact CB-O 3.29Å; N236-I291 WeakPolarHBondContact CB-O 3.49Å; N236-I291 PolarHBondContact ND2-O 3.47Å; G251-I291 WeakPolarHBondContact CA-O 3.33Å; G251-I291 PolarHBondContact O-N 2.91Å; G251-I291 VanDerWaalsContact O-N 3.1Å; S270-I291 VanDerWaalsContact OG-CD1 3.3Å; S270-I291 WeakPolarHBondContact OG-CD1 3.21Å; H287-I291 HydrophobicContact CB-CG1 4.31Å; G289-I291 PolarHBondContact O-N 2.88Å; I291-M294 HydrophobicContact CG2-CG 3.6Å; I291-M294 HydrophobicContact CG2-SD 4.11Å
292	N	97.1	Very high	94.4	Very high	31 Å²	31	35.6 Å²	35.6	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-28.8	-175.5	-71.2	-23.7	0	0	0	112.6	I13 N236 P290 G306 E308	I13-N292 WeakPolarHBondContact O-CB 3.32Å; I13-N292 PolarHBondContact O-ND2 3.45Å; N236-N292 PolarHBondContact ND2-OD1 2.82Å; P290-N292 PolarHBondContact O-N 3.05Å; N292-G306 PolarHBondContact N-O 3.28Å; N292-E308 PolarHBondContact ND2-OE2 2.91Å
293	S	97.8	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.7	180	-176.9	0	0	0	0	110.9	K15 V16 G306	K15-S293 WeakPolarHBondContact CA-OG 3.4Å; V16-S293 WeakPolarHBondContact CG2-OG 3.11Å; V16-S293 PolarHBondContact N-OG 3.31Å; S293-G306 PolarHBondContact N-O 3.12Å; S293-G306 PolarHBondContact O-N 3.3Å
294	M	97.7	Very high	94.8	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.9	174.6	-57.3	-175.1	-61.8	0	0	110.6	S237 A239 V248 L249 S270 I291 L303 A304 T305	S237-M294 WeakPolarHBondContact O-CE 3.49Å; S237-M294 PolarHBondContact OG-N 2.84Å; A239-M294 HydrophobicContact CB-CB 4.2Å; A239-M294 HydrophobicContact CB-CE 4.41Å; V248-M294 HydrophobicContact CB-CE 4.46Å; V248-M294 HydrophobicContact CG1-CE 4.17Å; V248-M294 HydrophobicContact CG1-SD 4.12Å; V248-M294 VanDerWaalsContact O-CE 3.28Å; V248-M294 WeakPolarHBondContact O-CE 3.06Å; L249-M294 VanDerWaalsContact C-CE 3.47Å; S270-M294 PolarHBondContact OG-SD 2.94Å; S270-M294 VanDerWaalsContact OG-SD 3.36Å; I291-M294 HydrophobicContact CG2-CG 3.6Å; I291-M294 HydrophobicContact CG2-SD 4.11Å; M294-L303 HydrophobicContact CB-CD1 4.37Å; M294-A304 CarbonylContact C-O 3.56Å; M294-A304 VanDerWaalsContact CA-O 3.25Å; M294-A304 WeakPolarHBondContact CA-O 3.3Å; M294-T305 HydrophobicContact CG-CG2 3.97Å; M294-T305 HydrophobicContact SD-CG2 4.24Å
295	A	97.6	Very high	95	Very high	13 Å²	13	26.4 Å²	26.4	11%	0.107	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	129.4	172.3	0	0	0	0	0	109.9	V16 Y18 A304	V16-A295 HydrophobicContact CG2-CB 4.13Å; Y18-A295 HydrophobicContact CD2-CB 3.89Å; Y18-A295 HydrophobicContact CE2-CB 4.35Å; A295-A304 PolarHBondContact N-O 2.78Å; A295-A304 PolarHBondContact O-N 2.95Å
296	F	97.9	Very high	95.3	Very high	23 Å²	23	22.1 Å²	22.1	10%	0.101	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.2	165.9	-86.2	-79.1	0	0	0	109.7	Y18 A239 I240 P242 V248 F272 L303 L317	Y18-F296 WeakPolarHBondContact CD2-O 3.38Å; A239-F296 HydrophobicContact CB-CD2 3.7Å; A239-F296 HydrophobicContact CB-CE2 3.9Å; I240-F296 VanDerWaalsContact O-CD2 3.26Å; I240-F296 WeakPolarHBondContact O-CD2 3.48Å; P242-F296 HydrophobicContact CG-CB 4.45Å; V248-F296 HydrophobicContact CB-CE2 4.3Å; V248-F296 HydrophobicContact CG2-CE2 3.63Å; V248-F296 HydrophobicContact CG2-CZ 3.51Å; F272-F296 HydrophobicContact CE1-CZ 4.39Å; F296-L303 HydrophobicContact CD1-CD1 4.16Å; F296-L303 HydrophobicContact CD2-CD1 4.04Å; F296-L303 HydrophobicContact CE1-CD1 4.23Å; F296-L303 HydrophobicContact CE2-CD1 4.07Å; F296-L303 HydrophobicContact CG-CD1 4.08Å; F296-L303 HydrophobicContact CZ-CD1 4.18Å; F296-L317 HydrophobicContact CE1-CD1 3.97Å
297	H	97.5	Very high	95.7	Very high	26 Å²	26	20.6 Å²	20.6	12%	0.12	11%	0.114	C	C	.	.			trans	-61.9	146.8	162.6	-179.2	-92.3	0	0	0	109.3	Y18 G22 S299 G300 I302	Y18-H297 HydrophobicContact CD2-CB 4.47Å; Y18-H297 HydrophobicContact CE1-CB 4.41Å; Y18-H297 AromaticContact CE1-CD2 3.76Å; Y18-H297 HydrophobicContact CE2-CB 4.08Å; G22-H297 WeakPolarHBondContact CA-NE2 3.31Å; G22-H297 PolarHBondContact O-CD2 2.99Å; G22-H297 PolarHBondContact O-NE2 3.34Å; H297-S299 VanDerWaalsContact ND1-CB 3.31Å; H297-S299 WeakPolarHBondContact ND1-CB 3.43Å; H297-S299 PolarHBondContact ND1-N 2.99Å; H297-S299 PolarHBondContact ND1-OG 3.07Å; H297-S299 PolarHBondContact O-N 3.01Å; H297-S299 VanDerWaalsContact O-N 3.08Å; H297-G300 WeakPolarHBondContact O-CA 3.24Å; H297-G300 PolarHBondContact O-N 3.46Å; H297-I302 HydrophobicContact CB-CB 3.68Å; H297-I302 HydrophobicContact CB-CG2 4.38Å; H297-I302 PolarHBondContact N-O 2.83Å
298	P	96.1	Very high	95.8	Very high	45 Å²	45	23 Å²	23	29%	0.292	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.5	-179.3	-29.9	36.8	0	0	0	115.6	N19 R20 G300	N19-P298 WeakPolarHBondContact O-CG 3.45Å; R20-P298 WeakPolarHBondContact O-CB 3.24Å; R20-P298 WeakPolarHBondContact O-CG 3.43Å; P298-G300 PolarHBondContact O-N 2.72Å
299	S	95.5	Very high	96	Very high	50 Å²	50	17.9 Å²	17.9	35%	0.35	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.7	172.9	72.3	0	0	0	0	113.7	I243 H297 C301	I243-S299 WeakPolarHBondContact CG2-O 3.45Å; H297-S299 VanDerWaalsContact ND1-CB 3.31Å; H297-S299 WeakPolarHBondContact ND1-CB 3.43Å; H297-S299 PolarHBondContact ND1-N 2.99Å; H297-S299 PolarHBondContact ND1-OG 3.07Å; H297-S299 PolarHBondContact O-N 3.01Å; H297-S299 VanDerWaalsContact O-N 3.08Å; S299-C301 PolarHBondContact O-N 3.03Å; S299-C301 PolarHBondContact OG-N 3.12Å
300	G	94.9	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	77.9	-1.3	-175.1	0	0	0	0	0	115.4	H297 P298	H297-G300 WeakPolarHBondContact O-CA 3.24Å; H297-G300 PolarHBondContact O-N 3.46Å; P298-G300 PolarHBondContact O-N 2.72Å
301	C	94.8	Very high	96.2	Very high	44 Å²	44	18.8 Å²	18.8	30%	0.297	11%	0.108	S	C	.	.	S	Bend	trans	-91.9	-9.1	-177.6	-54.3	0	0	0	0	114.1	S299 L317 F322	S299-C301 PolarHBondContact O-N 3.03Å; S299-C301 PolarHBondContact OG-N 3.12Å; C301-L317 WeakPolarHBondContact O-CB 3.4Å; C301-L317 WeakPolarHBondContact O-CG 3.45Å; C301-L317 PolarHBondContact O-N 3.13Å; C301-F322 HydrophobicContact CB-CE1 4.35Å; C301-F322 HydrophobicContact CB-CZ 3.76Å
302	I	96.3	Very high	96.2	Very high	24 Å²	24	18.8 Å²	18.8	12%	0.123	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.8	-175.1	-57.8	166.7	0	0	0	108.5	H297 I314 N315 E316	H297-I302 HydrophobicContact CB-CB 3.68Å; H297-I302 HydrophobicContact CB-CG2 4.38Å; H297-I302 PolarHBondContact N-O 2.83Å; I302-I314 HydrophobicContact CG2-CG2 3.39Å; I302-N315 CarbonylContact C-O 3.59Å; I302-N315 VanDerWaalsContact CA-O 3.31Å; I302-N315 WeakPolarHBondContact CA-O 3.48Å; I302-E316 HydrophobicContact CG1-CG 4.43Å
303	L	97.1	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.5	174	-176.2	69.5	0	0	0	109.9	A239 V248 F272 L284 M294 F296 T305 N315 L317	A239-L303 HydrophobicContact CB-CD1 4.45Å; V248-L303 HydrophobicContact CG1-CD2 3.97Å; F272-L303 HydrophobicContact CZ-CD2 3.95Å; L284-L303 HydrophobicContact CD2-CD2 4.31Å; M294-L303 HydrophobicContact CB-CD1 4.37Å; F296-L303 HydrophobicContact CD1-CD1 4.16Å; F296-L303 HydrophobicContact CD2-CD1 4.04Å; F296-L303 HydrophobicContact CE1-CD1 4.23Å; F296-L303 HydrophobicContact CE2-CD1 4.07Å; F296-L303 HydrophobicContact CG-CD1 4.08Å; F296-L303 HydrophobicContact CZ-CD1 4.18Å; L303-T305 HydrophobicContact CD2-CG2 3.96Å; L303-T305 HydrophobicContact CG-CG2 3.95Å; L303-N315 PolarHBondContact N-O 3.49Å; L303-N315 WeakPolarHBondContact O-CB 3.35Å; L303-N315 PolarHBondContact O-N 3.22Å; L303-N315 PolarHBondContact O-ND2 2.58Å; L303-L317 HydrophobicContact CB-CD2 4.44Å
304	A	97.8	Very high	96.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.4	169.2	0	0	0	0	0	110.1	Y18 L25 M294 A295 R313 I314	Y18-A304 HydrophobicContact CE2-CB 3.55Å; L25-A304 HydrophobicContact CD1-CB 4.2Å; L25-A304 HydrophobicContact CD2-CB 4.44Å; M294-A304 CarbonylContact C-O 3.56Å; M294-A304 VanDerWaalsContact CA-O 3.25Å; M294-A304 WeakPolarHBondContact CA-O 3.3Å; A295-A304 PolarHBondContact N-O 2.78Å; A295-A304 PolarHBondContact O-N 2.95Å; A304-R313 CarbonylContact C-O 3.48Å; A304-R313 VanDerWaalsContact CA-O 3.3Å; A304-R313 WeakPolarHBondContact CA-O 3.45Å; A304-I314 HydrophobicContact CB-CD1 3.82Å
305	T	97.7	Very high	96	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.5	177.7	61.3	0	0	0	0	110.2	H287 M294 L303 I312 R313 N315	H287-T305 PolarHBondContact CD2-OG1 2.74Å; H287-T305 PolarHBondContact CE1-O 3.22Å; H287-T305 VanDerWaalsContact CE1-O 3.3Å; H287-T305 WeakPolarHBondContact NE2-CB 3.18Å; H287-T305 PolarHBondContact NE2-O 2.72Å; H287-T305 PolarHBondContact NE2-OG1 2.95Å; M294-T305 HydrophobicContact CG-CG2 3.97Å; M294-T305 HydrophobicContact SD-CG2 4.24Å; L303-T305 HydrophobicContact CD2-CG2 3.96Å; L303-T305 HydrophobicContact CG-CG2 3.95Å; T305-I312 CarbonylContact O-C 3.56Å; T305-I312 VanDerWaalsContact O-CA 3.28Å; T305-I312 WeakPolarHBondContact O-CA 3.43Å; T305-R313 PolarHBondContact N-O 2.78Å; T305-R313 PolarHBondContact O-N 2.77Å; T305-N315 PolarHBondContact OG1-ND2 2.77Å
306	G	97.1	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.8	175.3	0	0	0	0	0	110.5	N292 S293	N292-G306 PolarHBondContact N-O 3.28Å; S293-G306 PolarHBondContact N-O 3.12Å; S293-G306 PolarHBondContact O-N 3.3Å
307	G	94.7	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	175	-174.6	0	0	0	0	0	115.1	I13 H287 P290 D309 G310 N311	I13-G307 PolarHBondContact N-O 2.83Å; H287-G307 PolarHBondContact CE1-N 3.29Å; H287-G307 VanDerWaalsContact CE1-N 3.26Å; H287-G307 WeakPolarHBondContact ND1-CA 3.38Å; P290-G307 CarbonylContact O-C 3.57Å; P290-G307 VanDerWaalsContact O-CA 3.31Å; P290-G307 WeakPolarHBondContact O-CA 3.28Å; G307-D309 PolarHBondContact O-N 2.82Å; G307-G310 PolarHBondContact O-N 2.81Å; G307-G310 VanDerWaalsContact O-N 3.17Å; G307-N311 PolarHBondContact N-O 3.27Å
308	E	94.1	Very high	95.3	Very high	58 Å²	58	27.1 Å²	27.1	27%	0.271	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.5	174.8	-163.8	66.5	-162.5	0	0	112.4	P12 K30 P290 N292 G310	P12-E308 VanDerWaalsContact CB-CD 3.49Å; P12-E308 HydrophobicContact CB-CG 4.34Å; P12-E308 WeakPolarHBondContact CB-OE2 3.24Å; P12-E308 HydrophobicContact CG-CG 3.99Å; P12-E308 WeakPolarHBondContact CG-O 3.24Å; P12-E308 WeakPolarHBondContact CG-OE1 3.34Å; K30-E308 IonicContact NZ-OE1 3.73Å; K30-E308 PolarHBondContact NZ-OE1 2.83Å; K30-E308 IonicContact NZ-OE2 3.35Å; K30-E308 PolarHBondContact NZ-OE2 2.88Å; P290-E308 PolarHBondContact O-N 3.37Å; N292-E308 PolarHBondContact ND2-OE2 2.91Å; E308-G310 PolarHBondContact O-N 3.47Å
309	D	92	Very high	94.9	Very high	39 Å²	39	29.4 Å²	29.4	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	2.6	175.1	65.9	-27	0	0	0	114.2	H287 F288 G307 N311 R313	H287-D309 IonicContact CE1-OD1 3.67Å; H287-D309 IonicContact CG-OD1 3.91Å; H287-D309 IonicContact ND1-OD1 2.84Å; H287-D309 PolarHBondContact ND1-OD1 3.18Å; H287-D309 IonicContact ND1-OD2 3.76Å; F288-D309 HydrophobicContact CB-CB 4.27Å; G307-D309 PolarHBondContact O-N 2.82Å; D309-N311 PolarHBondContact O-N 2.8Å; D309-N311 PolarHBondContact O-ND2 2.6Å; D309-N311 PolarHBondContact OD2-ND2 2.79Å; D309-R313 IonicContact OD1-NH1 3.52Å; D309-R313 IonicContact OD2-CZ 3.32Å; D309-R313 IonicContact OD2-NH1 2.8Å; D309-R313 PolarHBondContact OD2-NH1 2.67Å; D309-R313 IonicContact OD2-NH2 2.88Å; D309-R313 PolarHBondContact OD2-NH2 2.97Å
310	G	94.2	Very high	94.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	73.6	2.2	-179.5	0	0	0	0	0	114.2	R11 I13 G307 E308	R11-G310 VanDerWaalsContact O-CA 3.28Å; R11-G310 WeakPolarHBondContact O-CA 3.44Å; I13-G310 WeakPolarHBondContact CD1-O 3.42Å; G307-G310 PolarHBondContact O-N 2.81Å; G307-G310 VanDerWaalsContact O-N 3.17Å; E308-G310 PolarHBondContact O-N 3.47Å
311	N	95.7	Very high	94.2	Very high	26 Å²	26	34.3 Å²	34.3	14%	0.139	17%	0.174	C	C	.	.			trans	-96.9	148.5	-179.6	-61.3	-50.2	0	0	0	110.7	V5 R7 H287 G307 D309	V5-N311 HydrophobicContact CG1-CB 3.93Å; R7-N311 WeakPolarHBondContact CG-OD1 3.43Å; H287-N311 PolarHBondContact CE1-O 2.83Å; G307-N311 PolarHBondContact N-O 3.27Å; D309-N311 PolarHBondContact O-N 2.8Å; D309-N311 PolarHBondContact O-ND2 2.6Å; D309-N311 PolarHBondContact OD2-ND2 2.79Å
312	I	97.3	Very high	93.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.5	164.7	-53	162.8	0	0	0	107.4	V5 L6 I13 V16 L25 T305 I314	V5-I312 CarbonylContact C-O 3.42Å; V5-I312 WeakPolarHBondContact CA-O 3.21Å; L6-I312 HydrophobicContact CB-CB 4.1Å; L6-I312 HydrophobicContact CD1-CB 4.21Å; L6-I312 HydrophobicContact CD1-CD1 4.42Å; L6-I312 HydrophobicContact CD1-CG2 4.25Å; L6-I312 HydrophobicContact CG-CB 4.31Å; L6-I312 PolarHBondContact N-O 2.86Å; L6-I312 PolarHBondContact O-N 3.43Å; I13-I312 HydrophobicContact CD1-CD1 4.3Å; I13-I312 HydrophobicContact CD1-CG1 3.92Å; I13-I312 HydrophobicContact CG1-CG1 3.95Å; I13-I312 HydrophobicContact CG2-CG1 4.48Å; V16-I312 HydrophobicContact CG1-CD1 4.07Å; V16-I312 HydrophobicContact CG1-CG1 4.04Å; V16-I312 HydrophobicContact CG1-CG2 4.18Å; L25-I312 HydrophobicContact CD2-CG2 3.99Å; T305-I312 CarbonylContact O-C 3.56Å; T305-I312 VanDerWaalsContact O-CA 3.28Å; T305-I312 WeakPolarHBondContact O-CA 3.43Å; I312-I314 HydrophobicContact CG2-CD1 4.05Å
313	R	96.5	Very high	93.4	Very high	14 Å²	14	39.3 Å²	39.3	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.7	175.8	-65.8	176.3	175	63.6	-2.6	108.9	L4 V5 G286 H287 A304 T305 D309 N315	L4-R313 WeakPolarHBondContact O-CA 3.23Å; V5-R313 HydrophobicContact CG1-CG 4.48Å; V5-R313 HydrophobicContact CG2-CG 4.31Å; G286-R313 VanDerWaalsContact C-NE 3.3Å; G286-R313 PolarHBondContact O-NE 3.03Å; G286-R313 PolarHBondContact O-NH2 3.1Å; H287-R313 PolarHBondContact CE1-NH1 2.86Å; H287-R313 VanDerWaalsContact CG-NH1 3.35Å; H287-R313 PolarHBondContact ND1-NH1 2.88Å; A304-R313 CarbonylContact C-O 3.48Å; A304-R313 VanDerWaalsContact CA-O 3.3Å; A304-R313 WeakPolarHBondContact CA-O 3.45Å; T305-R313 PolarHBondContact N-O 2.78Å; T305-R313 PolarHBondContact O-N 2.77Å; D309-R313 IonicContact OD1-NH1 3.52Å; D309-R313 IonicContact OD2-CZ 3.32Å; D309-R313 IonicContact OD2-NH1 2.8Å; D309-R313 PolarHBondContact OD2-NH1 2.67Å; D309-R313 IonicContact OD2-NH2 2.88Å; D309-R313 PolarHBondContact OD2-NH2 2.97Å; R313-N315 PolarHBondContact O-ND2 3.38Å
314	I	96.8	Very high	92.8	Very high	13 Å²	13	42 Å²	42	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.6	172.1	-49.4	-54.7	0	0	0	106.3	P3 L4 L6 L25 I302 A304 I312	P3-I314 WeakPolarHBondContact CA-O 3.22Å; P3-I314 WeakPolarHBondContact CB-O 3.23Å; L4-I314 HydrophobicContact CB-CB 4.2Å; L4-I314 HydrophobicContact CD2-CG1 4.49Å; L4-I314 PolarHBondContact N-O 2.79Å; L4-I314 VanDerWaalsContact N-O 3.14Å; L4-I314 PolarHBondContact O-N 2.9Å; L6-I314 HydrophobicContact CD1-CD1 4.1Å; L6-I314 HydrophobicContact CD1-CG1 4.19Å; L6-I314 HydrophobicContact CD2-CG1 4.49Å; L6-I314 HydrophobicContact CG-CG1 4.22Å; L25-I314 HydrophobicContact CD2-CD1 3.69Å; I302-I314 HydrophobicContact CG2-CG2 3.39Å; A304-I314 HydrophobicContact CB-CD1 3.82Å; I312-I314 HydrophobicContact CG2-CD1 4.05Å
315	N	94.9	Very high	91.9	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.4	-175.8	-51.3	-84.5	0	0	0	108.8	P3 L284 I302 L303 T305 R313 L317	P3-N315 VanDerWaalsContact CB-OD1 3.23Å; P3-N315 WeakPolarHBondContact CB-OD1 3.44Å; L284-N315 HydrophobicContact CD2-CB 3.66Å; I302-N315 CarbonylContact C-O 3.59Å; I302-N315 VanDerWaalsContact CA-O 3.31Å; I302-N315 WeakPolarHBondContact CA-O 3.48Å; L303-N315 PolarHBondContact N-O 3.49Å; L303-N315 WeakPolarHBondContact O-CB 3.35Å; L303-N315 PolarHBondContact O-N 3.22Å; L303-N315 PolarHBondContact O-ND2 2.58Å; T305-N315 PolarHBondContact OG1-ND2 2.77Å; R313-N315 PolarHBondContact O-ND2 3.38Å; N315-L317 PolarHBondContact O-N 3.42Å
316	E	94.6	Very high	90.8	Very high	115 Å²	115	50.8 Å²	50.8	54%	0.537	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.3	165.8	-169	173.1	-170.9	0	0	108.7	I302	I302-E316 HydrophobicContact CG1-CG 4.43Å
317	L	93.5	Very high	89.7	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.089	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-74.4	139.9	-178.6	-58.4	176.7	0	0	0	109.3	F272 F296 C301 L303 N315 Y321 F322	F272-L317 HydrophobicContact CE1-CD2 4.32Å; F272-L317 HydrophobicContact CZ-CD2 3.93Å; F296-L317 HydrophobicContact CE1-CD1 3.97Å; C301-L317 WeakPolarHBondContact O-CB 3.4Å; C301-L317 WeakPolarHBondContact O-CG 3.45Å; C301-L317 PolarHBondContact O-N 3.13Å; L303-L317 HydrophobicContact CB-CD2 4.44Å; N315-L317 PolarHBondContact O-N 3.42Å; L317-Y321 HydrophobicContact CB-CD1 3.85Å; L317-Y321 HydrophobicContact CB-CE1 4.49Å; L317-Y321 HydrophobicContact CB-CG 4.21Å; L317-Y321 HydrophobicContact CD1-CD1 3.63Å; L317-Y321 HydrophobicContact CD1-CE1 3.41Å; L317-Y321 VanDerWaalsContact CD1-CE1 3.41Å; L317-Y321 HydrophobicContact CD1-CE2 4.48Å; L317-Y321 HydrophobicContact CD1-CG 4.24Å; L317-Y321 HydrophobicContact CG-CD1 4.31Å; L317-F322 HydrophobicContact CB-CE2 4.18Å; L317-F322 HydrophobicContact CB-CZ 4Å; L317-F322 WeakPolarHBondContact O-CE2 3.43Å
318	E	90.2	Very high	88.5	Confident	111 Å²	111	71.6 Å²	71.6	52%	0.519	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-79.7	164.1	-175.2	-53.9	-168.5	146.1	0	0	111.5	M1 E320 Y321 F322	M1-E318 PolarHBondContact N-OE1 2.85Å; E318-E320 VanDerWaalsContact CB-OE2 3.22Å; E318-E320 WeakPolarHBondContact CB-OE2 3.5Å; E318-E320 PolarHBondContact O-N 3.06Å; E318-Y321 WeakPolarHBondContact O-CB 3.5Å; E318-Y321 PolarHBondContact O-N 3.38Å; E318-F322 WeakPolarHBondContact O-CD2 3.32Å; E318-F322 WeakPolarHBondContact O-CE2 3.02Å
319	V	87.4	Confident	88.2	Confident	94 Å²	94	72.3 Å²	72.3	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-58	-36.2	-176.1	179.1	0	0	0	0	111.2	Y321 F322 D323	V319-Y321 PolarHBondContact O-N 2.55Å; V319-F322 CarbonylContact O-C 3.58Å; V319-F322 WeakPolarHBondContact O-CA 2.94Å; V319-F322 WeakPolarHBondContact O-CB 3.48Å; V319-F322 PolarHBondContact O-N 3.19Å; V319-D323 PolarHBondContact O-N 3.06Å
320	E	87	Confident	88	Confident	133 Å²	133	74 Å²	74	62%	0.621	35%	0.354	S	S	*	.	H	α-helix	trans	-60	-31	178.4	-62.6	79	-177.1	0	0	112.9	E318 F322 D323 F324	E318-E320 VanDerWaalsContact CB-OE2 3.22Å; E318-E320 WeakPolarHBondContact CB-OE2 3.5Å; E318-E320 PolarHBondContact O-N 3.06Å; E320-F322 VanDerWaalsContact C-N 3.25Å; E320-F322 PolarHBondContact O-N 2.92Å; E320-D323 PolarHBondContact O-N 3.36Å; E320-F324 PolarHBondContact O-N 3.35Å
321	Y	89.1	Confident	87.7	Confident	19 Å²	19	78.1 Å²	78.1	8%	0.075	37%	0.373	C	S	.	.	H	α-helix	trans	-66.7	-32.4	172.5	170.1	-98.9	0	0	0	111.5	R244 H246 F272 F281 L317 E318 V319	R244-Y321 PolarHBondContact NH1-O 2.77Å; H246-Y321 AromaticContact CE1-CE2 3.88Å; H246-Y321 AromaticContact ND1-CE2 3.29Å; H246-Y321 VanDerWaalsContact ND1-CE2 3.29Å; H246-Y321 WeakPolarHBondContact ND1-CE2 3.48Å; H246-Y321 AromaticContact ND1-CZ 3.3Å; H246-Y321 VanDerWaalsContact ND1-CZ 3.3Å; H246-Y321 PolarHBondContact ND1-OH 3.1Å; F272-Y321 HydrophobicContact CD1-CD2 4.19Å; F272-Y321 AromaticContact CD1-CE2 3.57Å; F272-Y321 HydrophobicContact CD1-CE2 3.57Å; F272-Y321 HydrophobicContact CE1-CD2 4.23Å; F272-Y321 AromaticContact CE1-CE2 3.69Å; F272-Y321 HydrophobicContact CE1-CE2 3.69Å; F281-Y321 HydrophobicContact CE2-CD2 4.15Å; F281-Y321 HydrophobicContact CE2-CE2 4.22Å; F281-Y321 HydrophobicContact CZ-CD2 4.47Å; F281-Y321 HydrophobicContact CZ-CE2 4.08Å; L317-Y321 HydrophobicContact CB-CD1 3.85Å; L317-Y321 HydrophobicContact CB-CE1 4.49Å; L317-Y321 HydrophobicContact CB-CG 4.21Å; L317-Y321 HydrophobicContact CD1-CD1 3.63Å; L317-Y321 HydrophobicContact CD1-CE1 3.41Å; L317-Y321 VanDerWaalsContact CD1-CE1 3.41Å; L317-Y321 HydrophobicContact CD1-CE2 4.48Å; L317-Y321 HydrophobicContact CD1-CG 4.24Å; L317-Y321 HydrophobicContact CG-CD1 4.31Å; E318-Y321 WeakPolarHBondContact O-CB 3.5Å; E318-Y321 PolarHBondContact O-N 3.38Å; V319-Y321 PolarHBondContact O-N 2.55Å
322	F	88.2	Confident	87.2	Confident	53 Å²	53	81.1 Å²	81.1	23%	0.232	39%	0.387	C	S	.	.	H	α-helix	trans	-84.4	-26.5	177.2	-52.6	-76.2	0	0	0	112.9	I243 R244 C301 L317 E318 V319 E320 F324	I243-F322 HydrophobicContact CD1-CD1 4.45Å; I243-F322 HydrophobicContact CD1-CE1 3.96Å; R244-F322 VanDerWaalsContact NH1-C 3.31Å; R244-F322 PolarHBondContact NH1-O 2.81Å; R244-F322 VanDerWaalsContact NH2-C 3.31Å; R244-F322 VanDerWaalsContact NH2-CA 3.27Å; R244-F322 PolarHBondContact NH2-O 3.39Å; C301-F322 HydrophobicContact CB-CE1 4.35Å; C301-F322 HydrophobicContact CB-CZ 3.76Å; L317-F322 HydrophobicContact CB-CE2 4.18Å; L317-F322 HydrophobicContact CB-CZ 4Å; L317-F322 WeakPolarHBondContact O-CE2 3.43Å; E318-F322 WeakPolarHBondContact O-CD2 3.32Å; E318-F322 WeakPolarHBondContact O-CE2 3.02Å; V319-F322 CarbonylContact O-C 3.58Å; V319-F322 WeakPolarHBondContact O-CA 2.94Å; V319-F322 WeakPolarHBondContact O-CB 3.48Å; V319-F322 PolarHBondContact O-N 3.19Å; E320-F322 VanDerWaalsContact C-N 3.25Å; E320-F322 PolarHBondContact O-N 2.92Å; F322-F324 VanDerWaalsContact C-N 3.27Å
323	D	86	Confident	86.6	Confident	121 Å²	121	86.1 Å²	86.1	65%	0.647	41%	0.411	S	S	*	.	H	α-helix	trans	-84.2	-8.2	174.3	-67.5	-15.6	0	0	0	112.2	V319 E320 D325	V319-D323 PolarHBondContact O-N 3.06Å; E320-D323 PolarHBondContact O-N 3.36Å; D323-D325 PolarHBondContact O-N 3.01Å
324	F	83	Confident	85.9	Confident	56 Å²	56	90.9 Å²	90.9	25%	0.246	44%	0.435	C	S	.	.			trans	-66.1	107.2	174.1	-176.8	-98.4	0	0	0	110.6	R244 F281 E320 F322 F326	R244-F324 PolarHBondContact NH1-O 3.13Å; F281-F324 HydrophobicContact CB-CE1 4Å; F281-F324 HydrophobicContact CB-CE2 3.81Å; F281-F324 HydrophobicContact CB-CZ 3.43Å; F281-F324 VanDerWaalsContact CB-CZ 3.43Å; F281-F324 AromaticContact CD1-CE1 3.87Å; F281-F324 HydrophobicContact CD1-CE1 3.87Å; F281-F324 HydrophobicContact CD1-CZ 4.17Å; F281-F324 AromaticContact CD2-CD1 3.71Å; F281-F324 HydrophobicContact CD2-CD1 3.71Å; F281-F324 HydrophobicContact CD2-CD2 4.06Å; F281-F324 AromaticContact CD2-CE1 3.64Å; F281-F324 HydrophobicContact CD2-CE1 3.64Å; F281-F324 HydrophobicContact CD2-CE2 4.01Å; F281-F324 AromaticContact CD2-CG 3.92Å; F281-F324 HydrophobicContact CD2-CG 3.92Å; F281-F324 AromaticContact CD2-CZ 3.8Å; F281-F324 HydrophobicContact CD2-CZ 3.8Å; F281-F324 HydrophobicContact CE1-CE1 4.2Å; F281-F324 AromaticContact CE2-CD1 3.75Å; F281-F324 HydrophobicContact CE2-CD1 3.75Å; F281-F324 HydrophobicContact CE2-CE1 4.01Å; F281-F324 HydrophobicContact CE2-CG 4.12Å; F281-F324 HydrophobicContact CG-CD1 4.13Å; F281-F324 AromaticContact CG-CE1 3.56Å; F281-F324 HydrophobicContact CG-CE1 3.56Å; F281-F324 HydrophobicContact CG-CE2 4.1Å; F281-F324 AromaticContact CG-CZ 3.55Å; F281-F324 HydrophobicContact CG-CZ 3.55Å; F281-F324 HydrophobicContact CZ-CD1 4.18Å; F281-F324 HydrophobicContact CZ-CE1 4.27Å; E320-F324 PolarHBondContact O-N 3.35Å; F322-F324 VanDerWaalsContact C-N 3.27Å; F324-F326 HydrophobicContact CE1-CD2 4.29Å; F324-F326 HydrophobicContact CZ-CD2 4.02Å
325	D	80	Confident	85.1	Confident	131 Å²	131	96.5 Å²	96.5	70%	0.701	46%	0.461	S	S	*	.			trans	-111.1	143.5	163.6	-76.6	-32.6	0	0	0	108.6	D323 D327	D323-D325 PolarHBondContact O-N 3.01Å; D325-D327 PolarHBondContact O-N 2.83Å
326	F	75.1	Confident	84.4	Confident	56 Å²	56	103.3 Å²	103.3	25%	0.246	49%	0.493	C	S	.	.			trans	-82.7	115.2	177.9	-156.7	-86.8	0	0	0	109.3	H274 F277 D279 F324 Y328	H274-F326 HydrophobicContact CB-CD2 4.22Å; H274-F326 HydrophobicContact CB-CE2 4.34Å; H274-F326 AromaticContact CD2-CD2 3.69Å; H274-F326 AromaticContact CD2-CG 3.95Å; F277-F326 HydrophobicContact CB-CE1 4.25Å; F277-F326 HydrophobicContact CB-CE2 4.19Å; F277-F326 HydrophobicContact CB-CZ 3.83Å; F277-F326 HydrophobicContact CD1-CE1 4.22Å; F277-F326 HydrophobicContact CD2-CB 4.3Å; F277-F326 AromaticContact CD2-CD1 3.35Å; F277-F326 HydrophobicContact CD2-CD1 3.35Å; F277-F326 AromaticContact CD2-CD2 3.83Å; F277-F326 HydrophobicContact CD2-CD2 3.83Å; F277-F326 AromaticContact CD2-CE1 3.41Å; F277-F326 HydrophobicContact CD2-CE1 3.41Å; F277-F326 VanDerWaalsContact CD2-CE1 3.41Å; F277-F326 AromaticContact CD2-CE2 3.89Å; F277-F326 HydrophobicContact CD2-CE2 3.89Å; F277-F326 AromaticContact CD2-CG 3.55Å; F277-F326 HydrophobicContact CD2-CG 3.55Å; F277-F326 AromaticContact CD2-CZ 3.68Å; F277-F326 HydrophobicContact CD2-CZ 3.68Å; F277-F326 HydrophobicContact CE1-CE1 4.48Å; F277-F326 HydrophobicContact CE2-CB 4.04Å; F277-F326 AromaticContact CE2-CD1 3.29Å; F277-F326 HydrophobicContact CE2-CD1 3.29Å; F277-F326 HydrophobicContact CE2-CD2 4.38Å; F277-F326 AromaticContact CE2-CE1 3.74Å; F277-F326 HydrophobicContact CE2-CE1 3.74Å; F277-F326 AromaticContact CE2-CG 3.65Å; F277-F326 HydrophobicContact CE2-CG 3.65Å; F277-F326 HydrophobicContact CE2-CZ 4.44Å; F277-F326 HydrophobicContact CG-CD1 4.12Å; F277-F326 AromaticContact CG-CE1 3.7Å; F277-F326 HydrophobicContact CG-CE1 3.7Å; F277-F326 HydrophobicContact CG-CE2 4.31Å; F277-F326 AromaticContact CG-CZ 3.8Å; F277-F326 HydrophobicContact CG-CZ 3.8Å; F277-F326 AromaticContact CZ-CD1 4Å; F277-F326 HydrophobicContact CZ-CD1 4Å; F277-F326 HydrophobicContact CZ-CE1 4.26Å; D279-F326 HydrophobicContact CB-CE2 4.21Å; D279-F326 HydrophobicContact CB-CZ 4.46Å; D279-F326 WeakPolarHBondContact OD2-CZ 3.4Å; F324-F326 HydrophobicContact CE1-CD2 4.29Å; F324-F326 HydrophobicContact CZ-CD2 4.02Å; F326-Y328 WeakPolarHBondContact O-CD1 3.46Å; F326-Y328 PolarHBondContact O-N 3.34Å
327	D	74.3	Confident	83.5	Confident	154 Å²	154	102.3 Å²	102.3	82%	0.824	49%	0.49	S	S	*	.			trans	-66.9	120.8	172.6	-73.8	-29.9	0	0	0	109.5	D325	D325-D327 PolarHBondContact O-N 2.83Å
328	Y	68.6	Low	82.6	Confident	283 Å²	283	110.1 Å²	110.1	100%	1.11	53%	0.526	S	S	*	.			trans	-98.1	0	-179.7	41.1	-98.5	0	0	0	113.5	F326	F326-Y328 WeakPolarHBondContact O-CD1 3.46Å; F326-Y328 PolarHBondContact O-N 3.34Å

Retrieved 328 of 328 residues in 290.5 ms (Link to these results)

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