A0A087YAS4_POEFO Loading...

Probable cytosolic iron-sulfur protein assembly protein CIAO1

Key component of the cytosolic iron-sulfur protein assembly (CIA) complex, a multiprotein complex that mediates the incorporation of iron-sulfur cluster into extramitochondrial Fe/S proteins. As a CIA complex component, interacts specifically with CIAO2A or CIAO2B and MMS19 to assist different branches of iron-sulfur protein assembly, depending of its interactors. The complex CIAO1:CIAO2B:MMS19 binds to and facilitates the assembly of most cytosolic-nuclear Fe/S proteins. CIAO1:CIAO2A specifically matures ACO1 and stabilizes IREB2. Seems to specifically modulate the transactivation activity of WT1. As part of the mitotic spindle-associated MMXD complex it may play a role in chromosome segregation.

AlphaFold DB , UniProt , Accession A0A087YAS4, Species POEFO (Poecilia formosa, Amazon molly), Gene CIAO1, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65	Low	92.5	Very high	140 Å²	140	63.8 Å²	63.8	69%	0.69	32%	0.315	S	S	*	.				0	139.8	0	-61.6	-168.1	-90.2	0	0	107.9	E330 E331	M1-E330 CarbonylContact C-O 3.53Å; M1-E330 WeakPolarHBondContact CA-O 3.34Å; M1-E330 VanDerWaalsContact CB-O 3.32Å; M1-E330 WeakPolarHBondContact CB-O 3.22Å; M1-E331 HydrophobicContact CG-CG 3.99Å; M1-E331 HydrophobicContact SD-CG 3.74Å
2	K	84.4	Confident	92.9	Very high	133 Å²	133	64.9 Å²	64.9	58%	0.578	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.1	178.4	-175.6	-178.9	177.7	-176.1	0	108.5	E330 L332	K2-E330 PolarHBondContact N-O 3.29Å; K2-E330 PolarHBondContact O-N 2.64Å; K2-L332 HydrophobicContact CB-CD2 4.29Å
3	E	89.8	Confident	93.3	Very high	36 Å²	36	59.9 Å²	59.9	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.5	175.5	-67.2	155.8	108.5	0	0	110.4	K274 V289 F327 K328 E329	E3-K274 WeakPolarHBondContact OE1-CD 3.42Å; E3-K274 WeakPolarHBondContact OE1-CE 3.03Å; E3-K274 IonicContact OE1-NZ 3.35Å; E3-K274 PolarHBondContact OE1-NZ 3.19Å; E3-V289 HydrophobicContact CB-CB 4.15Å; E3-V289 WeakPolarHBondContact OE2-CB 3.3Å; E3-V289 WeakPolarHBondContact OE2-CG1 3.33Å; E3-F327 HydrophobicContact CB-CE2 3.8Å; E3-F327 HydrophobicContact CB-CZ 4.14Å; E3-F327 HydrophobicContact CG-CE2 4.44Å; E3-F327 HydrophobicContact CG-CZ 4.31Å; E3-K328 WeakPolarHBondContact CA-O 3.49Å; E3-E329 HydrophobicContact CG-CG 3.65Å
4	V	94.3	Very high	93.7	Very high	29 Å²	29	55.6 Å²	55.6	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.1	-175	-62.8	0	0	0	0	111.5	F327 K328 E330	V4-F327 WeakPolarHBondContact O-CA 3.42Å; V4-K328 HydrophobicContact CG2-CG 4.4Å; V4-K328 PolarHBondContact N-O 3.28Å; V4-K328 PolarHBondContact O-N 3.32Å; V4-E330 HydrophobicContact CG2-CB 4.34Å; V4-E330 HydrophobicContact CG2-CG 3.63Å; V4-E330 WeakPolarHBondContact CG2-OE2 3.41Å
5	L	96.1	Very high	93.8	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.5	163.6	-77.6	171.7	0	0	0	108.5	V270 V272 A290 A292 L313 W325 F327	L5-V270 HydrophobicContact CD1-CB 4.44Å; L5-V270 HydrophobicContact CD1-CG1 3.9Å; L5-V272 HydrophobicContact CD1-CG2 3.96Å; L5-V272 HydrophobicContact CD2-CG2 4.06Å; L5-V272 HydrophobicContact CG-CG2 4.17Å; L5-A290 HydrophobicContact CG-CB 4.16Å; L5-A292 HydrophobicContact CD1-CB 4.45Å; L5-L313 HydrophobicContact CD2-CD2 4.02Å; L5-W325 HydrophobicContact CB-CE3 4.08Å; L5-W325 HydrophobicContact CD2-CB 3.98Å; L5-W325 HydrophobicContact CD2-CG 4.45Å; L5-F327 HydrophobicContact CD2-CB 3.91Å; L5-F327 HydrophobicContact CD2-CD2 4.27Å
6	S	96.8	Very high	93.9	Very high	35 Å²	35	64.1 Å²	64.1	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133	173.5	-59.4	0	0	0	0	110.3	V8 W325 R326	S6-V8 PolarHBondContact O-N 2.84Å; S6-W325 CarbonylContact O-C 3.53Å; S6-W325 VanDerWaalsContact O-CA 3.32Å; S6-W325 WeakPolarHBondContact O-CA 3.32Å; S6-R326 PolarHBondContact N-O 2.82Å; S6-R326 PolarHBondContact O-N 3.09Å
7	L	97.5	Very high	94.2	Very high	93 Å²	93	61.7 Å²	61.7	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127	172.4	173.9	63.3	0	0	0	109.9	R10 V323 W325	L7-R10 HydrophobicContact CD1-CG 4.1Å; L7-V323 HydrophobicContact CD1-CG1 3.29Å; L7-W325 HydrophobicContact CB-CZ3 4.4Å
8	V	97.9	Very high	94.4	Very high	63 Å²	63	64.7 Å²	64.7	38%	0.382	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-51.2	170.5	176.6	0	0	0	0	109.9	S6 I324 R326	S6-V8 PolarHBondContact O-N 2.84Å; V8-I324 WeakPolarHBondContact CA-O 3.36Å; V8-I324 HydrophobicContact CB-CB 4.21Å; V8-I324 HydrophobicContact CB-CG2 4Å; V8-I324 WeakPolarHBondContact CB-O 3.46Å; V8-I324 HydrophobicContact CG1-CG2 4.21Å; V8-I324 HydrophobicContact CG2-CG2 4.49Å; V8-I324 PolarHBondContact N-O 3.18Å; V8-R326 HydrophobicContact CG2-CB 3.84Å
9	Q	98.5	Very high	94.6	Very high	40 Å²	40	61.3 Å²	61.3	19%	0.187	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	144.9	-178.1	-170.1	176.1	-10.6	0	0	112.1	I11 W50 V323 I324	Q9-I11 HydrophobicContact CG-CG1 3.91Å; Q9-W50 PolarHBondContact NE2-O 2.85Å; Q9-V323 WeakPolarHBondContact O-CA 3.44Å; Q9-I324 HydrophobicContact CB-CB 4.43Å; Q9-I324 PolarHBondContact N-O 3.15Å; Q9-I324 PolarHBondContact O-N 2.75Å
10	R	98.5	Very high	94.9	Very high	97 Å²	97	60.5 Å²	60.5	37%	0.366	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.6	164.3	-84.6	179.8	-168.8	-76	-8.1	109.8	L7 A295 E321 V323	L7-R10 HydrophobicContact CD1-CG 4.1Å; R10-A295 PolarHBondContact NH1-O 3.47Å; R10-A295 VanDerWaalsContact NH1-O 3.09Å; R10-A295 PolarHBondContact NH2-O 3.49Å; R10-E321 IonicContact NH1-OE2 3.18Å; R10-E321 PolarHBondContact NH1-OE2 2.99Å; R10-V323 HydrophobicContact CG-CG1 4.45Å; R10-V323 HydrophobicContact CG-CG2 3.99Å; R10-V323 VanDerWaalsContact NH1-CG2 3.29Å
11	I	98.5	Very high	95.1	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.062	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.2	-176.2	-52.4	173.6	0	0	0	108.2	Q9 A13 W43 W50 E321 I322 I324	Q9-I11 HydrophobicContact CG-CG1 3.91Å; I11-A13 VanDerWaalsContact C-N 3.3Å; I11-A13 PolarHBondContact O-N 2.8Å; I11-W43 HydrophobicContact CD1-CE3 4.37Å; I11-W43 HydrophobicContact CG2-CD2 4.43Å; I11-W43 HydrophobicContact CG2-CE3 3.79Å; I11-W43 HydrophobicContact CG2-CH2 3.47Å; I11-W43 VanDerWaalsContact CG2-CH2 3.47Å; I11-W43 HydrophobicContact CG2-CZ2 4.12Å; I11-W43 HydrophobicContact CG2-CZ3 3.26Å; I11-W50 HydrophobicContact CD1-CB 3.67Å; I11-E321 CarbonylContact O-C 3.53Å; I11-E321 VanDerWaalsContact O-CA 3.23Å; I11-E321 WeakPolarHBondContact O-CA 3.35Å; I11-I322 HydrophobicContact CB-CB 4.32Å; I11-I322 PolarHBondContact N-O 2.75Å; I11-I322 PolarHBondContact O-N 3.35Å; I11-I324 HydrophobicContact CD1-CG1 4.37Å
12	S	97.9	Very high	96.7	Very high	77 Å²	77	52 Å²	52	54%	0.538	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	83.5	170.2	179	0	0	0	0	109.4
13	A	98.3	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.			trans	-78.4	-42.2	-167.8	0	0	0	0	0	113.5	I11 R41 W43 G320 I322	I11-A13 VanDerWaalsContact C-N 3.3Å; I11-A13 PolarHBondContact O-N 2.8Å; A13-R41 WeakPolarHBondContact O-CD 3.41Å; A13-R41 VanDerWaalsContact O-CZ 3.25Å; A13-R41 PolarHBondContact O-NE 3.41Å; A13-R41 PolarHBondContact O-NH1 2.85Å; A13-W43 HydrophobicContact CB-CH2 4.19Å; A13-W43 HydrophobicContact CB-CZ2 3.52Å; A13-G320 PolarHBondContact N-O 3.1Å; A13-I322 HydrophobicContact CB-CB 4.33Å; A13-I322 HydrophobicContact CB-CD1 3.4Å; A13-I322 VanDerWaalsContact CB-CD1 3.4Å; A13-I322 HydrophobicContact CB-CG1 3.54Å
14	H	98.4	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-131.4	77.3	-179.6	-65.3	-98.1	0	0	0	109.1	S17 C19 S33 C34 G35 D37 A39 R41 G320	H14-S17 WeakPolarHBondContact CB-OG 3.24Å; H14-S17 CarbonylContact O-C 3.45Å; H14-S17 PolarHBondContact O-N 2.84Å; H14-S17 PolarHBondContact O-OG 2.86Å; H14-C19 HydrophobicContact CB-CB 4.47Å; H14-C19 VanDerWaalsContact CD2-SG 3.53Å; H14-S33 PolarHBondContact NE2-OG 2.75Å; H14-C34 VanDerWaalsContact CE1-C 3.47Å; H14-C34 PolarHBondContact NE2-N 3.33Å; H14-G35 PolarHBondContact CE1-N 2.92Å; H14-D37 IonicContact CE1-OD1 3.88Å; H14-D37 IonicContact CG-OD1 3.74Å; H14-D37 IonicContact CG-OD2 3.78Å; H14-D37 VanDerWaalsContact ND1-CG 3.32Å; H14-D37 IonicContact ND1-OD1 2.61Å; H14-D37 PolarHBondContact ND1-OD1 3.02Å; H14-D37 IonicContact ND1-OD2 3.4Å; H14-D37 PolarHBondContact ND1-OD2 3.06Å; H14-A39 PolarHBondContact CE1-O 3.22Å; H14-A39 VanDerWaalsContact CE1-O 3.29Å; H14-R41 PolarHBondContact CE1-NH1 3.16Å; H14-R41 PolarHBondContact ND1-NH1 3.19Å; H14-G320 PolarHBondContact N-O 2.77Å; H14-G320 WeakPolarHBondContact O-CA 3.49Å
15	P	95.7	Very high	98	Very high	66 Å²	66	44.4 Å²	44.4	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	143.1	-175.3	-23.1	32.1	0	0	0	112.6	S17	P15-S17 PolarHBondContact O-N 2.82Å
16	D	95	Very high	98.1	Very high	181 Å²	181	45.1 Å²	45.1	97%	0.968	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	17.6	179	-55.2	-42.4	0	0	0	115.3
17	S	98.1	Very high	98.2	Very high	23 Å²	23	48 Å²	48	16%	0.161	25%	0.251	C	S	.	.	S	Bend	trans	-146.2	167.7	177.8	74.5	0	0	0	0	111.2	H14 P15 D37 G320	H14-S17 WeakPolarHBondContact CB-OG 3.24Å; H14-S17 CarbonylContact O-C 3.45Å; H14-S17 PolarHBondContact O-N 2.84Å; H14-S17 PolarHBondContact O-OG 2.86Å; P15-S17 PolarHBondContact O-N 2.82Å; S17-D37 PolarHBondContact OG-N 2.99Å; S17-G320 WeakPolarHBondContact O-CA 3.29Å; S17-G320 PolarHBondContact O-N 3.41Å
18	R	98.7	Very high	98.2	Very high	116 Å²	116	44 Å²	44	44%	0.438	23%	0.231	S	C	.	.			trans	-76	136	178.1	-59.3	170.1	177.8	-125.4	-3.4	110.1	W20 G35 G36 D318	R18-W20 HydrophobicContact CB-CZ2 4.48Å; R18-W20 VanDerWaalsContact CD-CZ2 3.43Å; R18-G35 CarbonylContact O-C 3.43Å; R18-G35 WeakPolarHBondContact O-CA 3.48Å; R18-G36 PolarHBondContact O-N 3.36Å; R18-D318 WeakPolarHBondContact CD-OD1 3.19Å; R18-D318 HydrophobicContact CG-CB 4.12Å; R18-D318 VanDerWaalsContact CG-OD1 3.31Å; R18-D318 WeakPolarHBondContact CG-OD1 3.33Å; R18-D318 IonicContact CZ-OD1 3.92Å; R18-D318 IonicContact CZ-OD2 2.66Å; R18-D318 IonicContact NE-OD1 3.49Å; R18-D318 IonicContact NE-OD2 2.9Å; R18-D318 VanDerWaalsContact NH1-CG 3.26Å; R18-D318 IonicContact NH1-OD1 2.78Å; R18-D318 PolarHBondContact NH1-OD1 3.48Å; R18-D318 VanDerWaalsContact NH1-OD1 3.16Å; R18-D318 IonicContact NH1-OD2 2.71Å; R18-D318 PolarHBondContact NH1-OD2 2.96Å; R18-D318 IonicContact NH2-OD2 2.69Å
19	C	98.9	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.8	162.9	-172.8	0	0	0	0	108.5	H14 N301 C316 S317	H14-C19 HydrophobicContact CB-CB 4.47Å; H14-C19 VanDerWaalsContact CD2-SG 3.53Å; C19-N301 PolarHBondContact O-ND2 2.91Å; C19-C316 HydrophobicContact CB-CB 3.89Å; C19-C316 PolarHBondContact O-SG 2.87Å; C19-C316 WeakPolarHBondContact SG-CB 3.21Å; C19-C316 VanDerWaalsContact SG-SG 3.7Å; C19-S317 PolarHBondContact N-O 2.88Å
20	W	98.9	Very high	98.2	Very high	44 Å²	44	42.8 Å²	42.8	17%	0.167	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-31.6	-167.7	-82.6	114.7	0	0	0	114.2	R18 C34 T63 R65	R18-W20 HydrophobicContact CB-CZ2 4.48Å; R18-W20 VanDerWaalsContact CD-CZ2 3.43Å; W20-C34 PolarHBondContact N-O 2.63Å; W20-T63 VanDerWaalsContact CD1-CG2 3.41Å; W20-T63 HydrophobicContact CG-CG2 4.48Å; W20-T63 VanDerWaalsContact NE1-CG2 3.32Å; W20-R65 WeakPolarHBondContact CB-O 3.4Å; W20-R65 PolarHBondContact O-NH1 3.43Å
21	F	98.9	Very high	98.2	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	151.5	-176	-148.2	-111.4	0	0	0	111.9	S33 C34 K66 C302	F21-S33 WeakPolarHBondContact O-CA 3.23Å; F21-C34 PolarHBondContact O-N 3.15Å; F21-C34 VanDerWaalsContact O-N 3.1Å; F21-K66 HydrophobicContact CB-CB 4.38Å; F21-K66 HydrophobicContact CB-CG 4.06Å; F21-K66 HydrophobicContact CD1-CB 4.11Å; F21-K66 HydrophobicContact CD1-CD 4.23Å; F21-K66 HydrophobicContact CD1-CG 4.06Å; F21-K66 HydrophobicContact CD2-CD 3.77Å; F21-K66 HydrophobicContact CD2-CG 3.81Å; F21-K66 HydrophobicContact CE1-CD 4.17Å; F21-K66 HydrophobicContact CE1-CG 4.5Å; F21-K66 HydrophobicContact CE2-CD 3.74Å; F21-K66 VanDerWaalsContact CE2-CE 3.42Å; F21-K66 HydrophobicContact CE2-CG 4.31Å; F21-K66 HydrophobicContact CG-CB 4.15Å; F21-K66 HydrophobicContact CG-CD 4.04Å; F21-K66 HydrophobicContact CG-CG 3.69Å; F21-K66 HydrophobicContact CZ-CD 3.94Å; F21-C302 HydrophobicContact CD2-CB 3.68Å; F21-C302 WeakPolarHBondContact CD2-SG 3.46Å; F21-C302 HydrophobicContact CE2-CB 4.04Å; F21-C302 WeakPolarHBondContact CE2-SG 3.2Å; F21-C302 HydrophobicContact CG-CB 4.37Å
22	V	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.7	170.3	-68.5	0	0	0	0	110.3	L31 A32 C302 A314 C316 I322	V22-L31 HydrophobicContact CB-CD1 3.95Å; V22-L31 HydrophobicContact CB-CD2 4.45Å; V22-L31 HydrophobicContact CB-CG 4.31Å; V22-L31 HydrophobicContact CG1-CD2 4.46Å; V22-A32 CarbonylContact C-O 3.6Å; V22-A32 WeakPolarHBondContact CA-O 3.3Å; V22-C302 HydrophobicContact CG2-CB 4.37Å; V22-C302 PolarHBondContact N-SG 3.45Å; V22-A314 HydrophobicContact CG2-CB 4.04Å; V22-C316 HydrophobicContact CG1-CB 3.86Å; V22-I322 HydrophobicContact CG1-CD1 3.78Å; V22-I322 HydrophobicContact CG1-CG1 3.82Å; V22-I322 HydrophobicContact CG1-CG2 4.47Å
23	S	98.9	Very high	98.3	Very high	20 Å²	20	33.9 Å²	33.9	14%	0.14	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	121.6	-177.5	-170	0	0	0	0	111.4	A32 V67 W69	S23-A32 PolarHBondContact N-O 2.98Å; S23-A32 PolarHBondContact O-N 3.3Å; S23-V67 WeakPolarHBondContact CB-O 3.47Å; S23-W69 PolarHBondContact O-NE1 2.85Å
24	W	98.9	Very high	98.3	Very high	14 Å²	14	33.9 Å²	33.9	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.5	176.1	-72.7	105.6	0	0	0	111.1	L30 L31 W50 S304 N306 P307 L312 A314 I324	W24-L30 VanDerWaalsContact CE3-O 3.31Å; W24-L31 HydrophobicContact CD2-CB 4.47Å; W24-L31 HydrophobicContact CD2-CD1 3.66Å; W24-L31 HydrophobicContact CE3-CB 3.95Å; W24-L31 HydrophobicContact CE3-CD1 4.01Å; W24-L31 HydrophobicContact CG-CD1 3.96Å; W24-L31 HydrophobicContact CH2-CB 4.08Å; W24-L31 HydrophobicContact CH2-CD1 4.38Å; W24-L31 HydrophobicContact CH2-CD2 4.34Å; W24-L31 HydrophobicContact CZ2-CD1 4.13Å; W24-L31 HydrophobicContact CZ2-CD2 4.37Å; W24-L31 HydrophobicContact CZ3-CB 3.71Å; W24-L31 HydrophobicContact CZ3-CD1 4.31Å; W24-L31 HydrophobicContact CZ3-CG 4.49Å; W24-W50 HydrophobicContact CE3-CH2 4.41Å; W24-W50 HydrophobicContact CH2-CE3 4.49Å; W24-W50 AromaticContact CH2-CH2 3.39Å; W24-W50 HydrophobicContact CH2-CH2 3.39Å; W24-W50 AromaticContact CH2-CZ2 3.41Å; W24-W50 HydrophobicContact CH2-CZ2 3.41Å; W24-W50 VanDerWaalsContact CH2-CZ2 3.41Å; W24-W50 AromaticContact CH2-CZ3 3.93Å; W24-W50 HydrophobicContact CH2-CZ3 3.93Å; W24-W50 HydrophobicContact CZ3-CE3 4.5Å; W24-W50 AromaticContact CZ3-CH2 3.16Å; W24-W50 HydrophobicContact CZ3-CH2 3.16Å; W24-W50 AromaticContact CZ3-CZ2 3.71Å; W24-W50 HydrophobicContact CZ3-CZ2 3.71Å; W24-W50 AromaticContact CZ3-CZ3 3.59Å; W24-W50 HydrophobicContact CZ3-CZ3 3.59Å; W24-S304 PolarHBondContact NE1-O 3.28Å; W24-N306 HydrophobicContact CD2-CB 4.16Å; W24-N306 HydrophobicContact CG-CB 4.45Å; W24-N306 HydrophobicContact CZ2-CB 4.35Å; W24-N306 WeakPolarHBondContact CZ3-ND2 3.06Å; W24-P307 VanDerWaalsContact CB-CD 3.47Å; W24-P307 HydrophobicContact CB-CG 4.19Å; W24-L312 HydrophobicContact CH2-CD2 3.9Å; W24-L312 HydrophobicContact CZ2-CD2 3.91Å; W24-L312 HydrophobicContact CZ2-CG 4.37Å; W24-A314 HydrophobicContact CZ2-CB 3.89Å; W24-I324 HydrophobicContact CZ2-CD1 4.43Å
25	S	98.7	Very high	98.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	19%	0.185	C	C	.	.			trans	-63.2	153.7	165.6	61.5	0	0	0	0	110.3	N27 G28 A29 L30 P307	S25-N27 PolarHBondContact O-N 2.98Å; S25-N27 VanDerWaalsContact O-N 3.09Å; S25-N27 PolarHBondContact OG-OD1 3.13Å; S25-G28 WeakPolarHBondContact O-CA 3.32Å; S25-G28 PolarHBondContact O-N 2.8Å; S25-A29 PolarHBondContact OG-N 2.84Å; S25-L30 PolarHBondContact N-O 3.36Å; S25-L30 PolarHBondContact OG-N 3.17Å; S25-L30 PolarHBondContact OG-O 2.99Å; S25-P307 VanDerWaalsContact O-CG 3.27Å; S25-P307 WeakPolarHBondContact O-CG 3.36Å
26	P	98.4	Very high	98.5	Very high	40 Å²	40	32 Å²	32	26%	0.26	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.1	-176.4	-25.8	33.4	0	0	0	114.4	G28 W69 S70 P71 K308	P26-G28 VanDerWaalsContact C-N 3.3Å; P26-W69 HydrophobicContact CG-CB 4.44Å; P26-S70 WeakPolarHBondContact CG-O 3.38Å; P26-P71 WeakPolarHBondContact CG-O 3.24Å; P26-K308 WeakPolarHBondContact O-CE 3.26Å
27	N	97.9	Very high	98.6	Very high	96 Å²	96	25.9 Å²	25.9	51%	0.513	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2	174.9	67.5	7.8	0	0	0	113.8	S25 A29 K308	S25-N27 PolarHBondContact O-N 2.98Å; S25-N27 VanDerWaalsContact O-N 3.09Å; S25-N27 PolarHBondContact OG-OD1 3.13Å; N27-A29 PolarHBondContact O-N 2.98Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 WeakPolarHBondContact OD1-CB 3.4Å; N27-A29 PolarHBondContact OD1-N 2.75Å; N27-K308 VanDerWaalsContact C-CG 3.48Å; N27-K308 WeakPolarHBondContact O-CG 3.49Å
28	G	98.3	Very high	98.7	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	16%	0.157	C	C	.	.	S	Bend	trans	68.9	4.2	179.4	0	0	0	0	0	115.3	S25 P26 N306	S25-G28 WeakPolarHBondContact O-CA 3.32Å; S25-G28 PolarHBondContact O-N 2.8Å; P26-G28 VanDerWaalsContact C-N 3.3Å; G28-N306 PolarHBondContact O-ND2 3.09Å
29	A	97.8	Very high	98.7	Very high	50 Å²	50	23.9 Å²	23.9	41%	0.413	14%	0.137	S	C	.	.	S	Bend	trans	-85.4	-25.6	-174.7	0	0	0	0	0	113.3	S25 N27	S25-A29 PolarHBondContact OG-N 2.84Å; N27-A29 PolarHBondContact O-N 2.98Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 WeakPolarHBondContact OD1-CB 3.4Å; N27-A29 PolarHBondContact OD1-N 2.75Å
30	L	98.5	Very high	98.7	Very high	28 Å²	28	24 Å²	24	15%	0.147	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.7	-179.3	-58.5	175.4	0	0	0	110.6	W24 S25 I42 W43 W69	W24-L30 VanDerWaalsContact CE3-O 3.31Å; S25-L30 PolarHBondContact N-O 3.36Å; S25-L30 PolarHBondContact OG-N 3.17Å; S25-L30 PolarHBondContact OG-O 2.99Å; L30-I42 HydrophobicContact CB-CG2 4.04Å; L30-I42 HydrophobicContact CD1-CG2 4.04Å; L30-I42 HydrophobicContact CD2-CG2 4.11Å; L30-I42 HydrophobicContact CG-CG2 4.29Å; L30-W43 CarbonylContact C-O 3.6Å; L30-W43 VanDerWaalsContact CA-O 3.26Å; L30-W43 WeakPolarHBondContact CA-O 3.2Å; L30-W69 HydrophobicContact CB-CH2 4.32Å; L30-W69 HydrophobicContact CB-CZ2 4.06Å; L30-W69 HydrophobicContact CD1-CH2 3.95Å
31	L	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.3	169.9	-176.2	66.8	0	0	0	107.8	V22 W24 I42 W43 A314 I322 I324	V22-L31 HydrophobicContact CB-CD1 3.95Å; V22-L31 HydrophobicContact CB-CD2 4.45Å; V22-L31 HydrophobicContact CB-CG 4.31Å; V22-L31 HydrophobicContact CG1-CD2 4.46Å; W24-L31 HydrophobicContact CD2-CB 4.47Å; W24-L31 HydrophobicContact CD2-CD1 3.66Å; W24-L31 HydrophobicContact CE3-CB 3.95Å; W24-L31 HydrophobicContact CE3-CD1 4.01Å; W24-L31 HydrophobicContact CG-CD1 3.96Å; W24-L31 HydrophobicContact CH2-CB 4.08Å; W24-L31 HydrophobicContact CH2-CD1 4.38Å; W24-L31 HydrophobicContact CH2-CD2 4.34Å; W24-L31 HydrophobicContact CZ2-CD1 4.13Å; W24-L31 HydrophobicContact CZ2-CD2 4.37Å; W24-L31 HydrophobicContact CZ3-CB 3.71Å; W24-L31 HydrophobicContact CZ3-CD1 4.31Å; W24-L31 HydrophobicContact CZ3-CG 4.49Å; L31-I42 CarbonylContact O-C 3.55Å; L31-I42 WeakPolarHBondContact O-CA 3.32Å; L31-W43 HydrophobicContact CB-CB 4.24Å; L31-W43 PolarHBondContact N-O 2.95Å; L31-W43 PolarHBondContact O-N 3.22Å; L31-A314 HydrophobicContact CD1-CB 4.04Å; L31-A314 HydrophobicContact CD2-CB 3.76Å; L31-I322 HydrophobicContact CD2-CG2 4.07Å; L31-I324 HydrophobicContact CD2-CD1 3.83Å
32	A	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	143.3	168.1	0	0	0	0	0	109.5	V22 S23 R41 I42 V67 W69 L76	V22-A32 CarbonylContact C-O 3.6Å; V22-A32 WeakPolarHBondContact CA-O 3.3Å; S23-A32 PolarHBondContact N-O 2.98Å; S23-A32 PolarHBondContact O-N 3.3Å; A32-R41 CarbonylContact C-O 3.53Å; A32-R41 WeakPolarHBondContact CA-O 3.35Å; A32-I42 HydrophobicContact CB-CD1 3.7Å; A32-V67 HydrophobicContact CB-CG2 3.95Å; A32-W69 HydrophobicContact CB-CZ2 4.15Å; A32-L76 HydrophobicContact CB-CD1 3.93Å; A32-L76 HydrophobicContact CB-CD2 4.07Å
33	S	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.7	170.3	72.2	0	0	0	0	111.5	H14 F21 I40 R41 W43 I322	H14-S33 PolarHBondContact NE2-OG 2.75Å; F21-S33 WeakPolarHBondContact O-CA 3.23Å; S33-I40 CarbonylContact O-C 3.52Å; S33-I40 VanDerWaalsContact O-CA 3.23Å; S33-I40 WeakPolarHBondContact O-CA 3.31Å; S33-I40 WeakPolarHBondContact O-CG2 3.22Å; S33-R41 PolarHBondContact N-O 2.75Å; S33-R41 PolarHBondContact O-N 3.25Å; S33-W43 PolarHBondContact OG-NE1 3.24Å; S33-I322 VanDerWaalsContact CB-CD1 3.42Å
34	C	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.4	176.6	66.1	0	0	0	0	112.3	H14 W20 F21 I40 V64 V67	H14-C34 VanDerWaalsContact CE1-C 3.47Å; H14-C34 PolarHBondContact NE2-N 3.33Å; W20-C34 PolarHBondContact N-O 2.63Å; F21-C34 PolarHBondContact O-N 3.15Å; F21-C34 VanDerWaalsContact O-N 3.1Å; C34-I40 HydrophobicContact CB-CG1 4.09Å; C34-V64 HydrophobicContact CB-CB 3.86Å; C34-V64 HydrophobicContact CB-CG1 3.57Å; C34-V67 HydrophobicContact CB-CG1 3.79Å; C34-V67 HydrophobicContact CB-CG2 4.48Å
35	G	98.6	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	-176	-171.4	0	0	0	0	0	116.7	H14 R18 D37 K38 V64	H14-G35 PolarHBondContact CE1-N 2.92Å; R18-G35 CarbonylContact O-C 3.43Å; R18-G35 WeakPolarHBondContact O-CA 3.48Å; G35-D37 PolarHBondContact O-N 3.25Å; G35-K38 PolarHBondContact O-N 3.03Å; G35-V64 PolarHBondContact O-N 3.01Å
36	G	98.8	Very high	98.4	Very high	27 Å²	27	32 Å²	32	28%	0.278	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16	178.6	0	0	0	0	0	114.4	R18 K38	R18-G36 PolarHBondContact O-N 3.36Å; G36-K38 PolarHBondContact O-N 3.3Å
37	D	98.6	Very high	98.3	Very high	51 Å²	51	33.4 Å²	33.4	27%	0.273	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.1	172.4	68.9	-11.2	0	0	0	113.6	H14 S17 G35 A39 R41	H14-D37 IonicContact CE1-OD1 3.88Å; H14-D37 IonicContact CG-OD1 3.74Å; H14-D37 IonicContact CG-OD2 3.78Å; H14-D37 VanDerWaalsContact ND1-CG 3.32Å; H14-D37 IonicContact ND1-OD1 2.61Å; H14-D37 PolarHBondContact ND1-OD1 3.02Å; H14-D37 IonicContact ND1-OD2 3.4Å; H14-D37 PolarHBondContact ND1-OD2 3.06Å; S17-D37 PolarHBondContact OG-N 2.99Å; G35-D37 PolarHBondContact O-N 3.25Å; D37-A39 PolarHBondContact O-N 3.27Å; D37-A39 VanDerWaalsContact O-N 3.15Å; D37-A39 PolarHBondContact OD1-N 3.17Å; D37-R41 IonicContact OD1-NH1 2.76Å; D37-R41 IonicContact OD2-CZ 3.63Å; D37-R41 IonicContact OD2-NH1 3.85Å; D37-R41 PolarHBondContact OD2-NH1 3.35Å; D37-R41 IonicContact OD2-NH2 2.75Å; D37-R41 PolarHBondContact OD2-NH2 2.97Å
38	K	98.6	Very high	98	Very high	96 Å²	96	36.6 Å²	36.6	42%	0.417	21%	0.207	S	C	.	.	S	Bend	trans	67	4.9	178.2	-39.7	175.8	-174.2	-174	0	114.4	G35 G36 Q61	G35-K38 PolarHBondContact O-N 3.03Å; G36-K38 PolarHBondContact O-N 3.3Å; K38-Q61 WeakPolarHBondContact CD-O 3.06Å; K38-Q61 VanDerWaalsContact CE-O 3.22Å; K38-Q61 WeakPolarHBondContact CE-O 3.32Å; K38-Q61 PolarHBondContact NZ-O 2.88Å
39	A	98.4	Very high	97.9	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	22%	0.224	C	C	.	.			trans	-95.7	157	179.8	0	0	0	0	0	111.2	H14 D37 V55 Q57	H14-A39 PolarHBondContact CE1-O 3.22Å; H14-A39 VanDerWaalsContact CE1-O 3.29Å; D37-A39 PolarHBondContact O-N 3.27Å; D37-A39 VanDerWaalsContact O-N 3.15Å; D37-A39 PolarHBondContact OD1-N 3.17Å; A39-V55 HydrophobicContact CB-CG1 4.28Å; A39-Q57 HydrophobicContact CB-CG 4.47Å
40	I	98.9	Very high	97.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.3	163.8	-57.9	155.9	0	0	0	107.1	S33 C34 I42 L56 V64 V67 L76 W88	S33-I40 CarbonylContact O-C 3.52Å; S33-I40 VanDerWaalsContact O-CA 3.23Å; S33-I40 WeakPolarHBondContact O-CA 3.31Å; S33-I40 WeakPolarHBondContact O-CG2 3.22Å; C34-I40 HydrophobicContact CB-CG1 4.09Å; I40-I42 HydrophobicContact CG2-CD1 4.31Å; I40-L56 HydrophobicContact CB-CB 4.05Å; I40-L56 HydrophobicContact CB-CD2 4.4Å; I40-L56 HydrophobicContact CG2-CD2 4.29Å; I40-L56 PolarHBondContact N-O 3.49Å; I40-L56 PolarHBondContact O-N 3.13Å; I40-V64 HydrophobicContact CD1-CG1 4.2Å; I40-V64 HydrophobicContact CG1-CB 4.5Å; I40-V64 HydrophobicContact CG1-CG1 4.01Å; I40-V64 HydrophobicContact CG1-CG2 4.39Å; I40-V67 HydrophobicContact CD1-CG1 4.01Å; I40-V67 HydrophobicContact CG1-CG1 3.98Å; I40-V67 HydrophobicContact CG2-CG1 4.16Å; I40-L76 HydrophobicContact CG2-CD2 3.83Å; I40-W88 HydrophobicContact CD1-CZ2 4.06Å
41	R	98.8	Very high	97.9	Very high	38 Å²	38	38.4 Å²	38.4	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.4	177.6	-69	-177.2	-177.9	75	1.2	110.4	A13 H14 A32 S33 D37 W43 V55	A13-R41 WeakPolarHBondContact O-CD 3.41Å; A13-R41 VanDerWaalsContact O-CZ 3.25Å; A13-R41 PolarHBondContact O-NE 3.41Å; A13-R41 PolarHBondContact O-NH1 2.85Å; H14-R41 PolarHBondContact CE1-NH1 3.16Å; H14-R41 PolarHBondContact ND1-NH1 3.19Å; A32-R41 CarbonylContact C-O 3.53Å; A32-R41 WeakPolarHBondContact CA-O 3.35Å; S33-R41 PolarHBondContact N-O 2.75Å; S33-R41 PolarHBondContact O-N 3.25Å; D37-R41 IonicContact OD1-NH1 2.76Å; D37-R41 IonicContact OD2-CZ 3.63Å; D37-R41 IonicContact OD2-NH1 3.85Å; D37-R41 PolarHBondContact OD2-NH1 3.35Å; D37-R41 IonicContact OD2-NH2 2.75Å; D37-R41 PolarHBondContact OD2-NH2 2.97Å; R41-W43 HydrophobicContact CB-CZ2 3.76Å; R41-W43 HydrophobicContact CG-CZ2 4.35Å; R41-V55 HydrophobicContact CG-CG1 4.04Å; R41-V55 HydrophobicContact CG-CG2 4.17Å
42	I	98.8	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	176.5	-50.5	-57.8	0	0	0	108.2	L30 L31 A32 I40 K53 T54 L56 W69 L76 F95	L30-I42 HydrophobicContact CB-CG2 4.04Å; L30-I42 HydrophobicContact CD1-CG2 4.04Å; L30-I42 HydrophobicContact CD2-CG2 4.11Å; L30-I42 HydrophobicContact CG-CG2 4.29Å; L31-I42 CarbonylContact O-C 3.55Å; L31-I42 WeakPolarHBondContact O-CA 3.32Å; A32-I42 HydrophobicContact CB-CD1 3.7Å; I40-I42 HydrophobicContact CG2-CD1 4.31Å; I42-K53 PolarHBondContact O-N 2.73Å; I42-T54 HydrophobicContact CB-CG2 3.64Å; I42-T54 HydrophobicContact CG1-CG2 3.55Å; I42-T54 HydrophobicContact CG2-CG2 4.5Å; I42-T54 PolarHBondContact N-O 2.71Å; I42-L56 HydrophobicContact CG1-CD1 3.91Å; I42-W69 HydrophobicContact CD1-CH2 4.44Å; I42-W69 HydrophobicContact CD1-CZ2 4.12Å; I42-W69 HydrophobicContact CG2-CZ2 4.48Å; I42-L76 HydrophobicContact CD1-CD2 3.91Å; I42-F95 HydrophobicContact CG1-CD2 4.24Å; I42-F95 HydrophobicContact CG1-CE2 4.06Å; I42-F95 HydrophobicContact CG2-CE2 4.49Å
43	W	98.8	Very high	97.8	Very high	15 Å²	15	45 Å²	45	6%	0.057	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.3	-178	-48.6	87.9	0	0	0	110	I11 A13 L30 L31 S33 R41 W50 I51 C52	I11-W43 HydrophobicContact CD1-CE3 4.37Å; I11-W43 HydrophobicContact CG2-CD2 4.43Å; I11-W43 HydrophobicContact CG2-CE3 3.79Å; I11-W43 HydrophobicContact CG2-CH2 3.47Å; I11-W43 VanDerWaalsContact CG2-CH2 3.47Å; I11-W43 HydrophobicContact CG2-CZ2 4.12Å; I11-W43 HydrophobicContact CG2-CZ3 3.26Å; A13-W43 HydrophobicContact CB-CH2 4.19Å; A13-W43 HydrophobicContact CB-CZ2 3.52Å; L30-W43 CarbonylContact C-O 3.6Å; L30-W43 VanDerWaalsContact CA-O 3.26Å; L30-W43 WeakPolarHBondContact CA-O 3.2Å; L31-W43 HydrophobicContact CB-CB 4.24Å; L31-W43 PolarHBondContact N-O 2.95Å; L31-W43 PolarHBondContact O-N 3.22Å; S33-W43 PolarHBondContact OG-NE1 3.24Å; R41-W43 HydrophobicContact CB-CZ2 3.76Å; R41-W43 HydrophobicContact CG-CZ2 4.35Å; W43-W50 HydrophobicContact CB-CE3 4.26Å; W43-I51 CarbonylContact C-O 3.6Å; W43-I51 VanDerWaalsContact CA-O 3.24Å; W43-I51 WeakPolarHBondContact CA-O 3.48Å; W43-C52 HydrophobicContact CE3-CB 3.85Å; W43-C52 VanDerWaalsContact CE3-N 3.31Å; W43-C52 HydrophobicContact CH2-CB 3.96Å; W43-C52 HydrophobicContact CZ3-CB 3.53Å
44	G	98.1	Very high	97.8	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.2	175.6	0	0	0	0	0	110.9	W50 I51	G44-W50 WeakPolarHBondContact O-CA 3.01Å; G44-I51 PolarHBondContact N-O 3.27Å; G44-I51 PolarHBondContact O-N 2.99Å
45	R	96.9	Very high	97.7	Very high	105 Å²	105	48.8 Å²	48.8	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139	177.8	-68.2	-171.5	-178.5	171.9	7.9	112.2	S49 W50 E309 L312	R45-S49 CarbonylContact C-O 3.56Å; R45-S49 WeakPolarHBondContact CA-O 3.22Å; R45-W50 HydrophobicContact CG-CD2 3.86Å; R45-W50 HydrophobicContact CG-CE3 4.16Å; R45-W50 HydrophobicContact CG-CG 4.44Å; R45-W50 HydrophobicContact CG-CH2 3.82Å; R45-W50 HydrophobicContact CG-CZ2 3.59Å; R45-W50 HydrophobicContact CG-CZ3 4.14Å; R45-E309 IonicContact CZ-OE1 3.28Å; R45-E309 IonicContact CZ-OE2 3.06Å; R45-E309 IonicContact NH1-OE1 2.63Å; R45-E309 IonicContact NH1-OE2 2.74Å; R45-E309 PolarHBondContact NH1-OE2 3.5Å; R45-E309 VanDerWaalsContact NH2-CD 3.34Å; R45-E309 IonicContact NH2-OE1 3.97Å; R45-E309 PolarHBondContact NH2-OE1 2.94Å; R45-E309 VanDerWaalsContact NH2-OE1 3.16Å; R45-E309 IonicContact NH2-OE2 3.5Å; R45-E309 PolarHBondContact NH2-OE2 3.03Å; R45-L312 VanDerWaalsContact NH2-CD2 3.32Å
46	E	96.7	Very high	97.7	Very high	113 Å²	113	49.1 Å²	49.1	53%	0.528	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.8	158.2	-71.5	-169.3	177.8	0	0	108.3	D48 S49 I51 K53	E46-D48 PolarHBondContact O-N 3.41Å; E46-S49 PolarHBondContact N-O 2.89Å; E46-S49 PolarHBondContact O-N 2.9Å; E46-I51 HydrophobicContact CB-CD1 4.39Å; E46-I51 HydrophobicContact CB-CG1 4.25Å; E46-I51 HydrophobicContact CG-CD1 3.72Å; E46-I51 HydrophobicContact CG-CG1 3.86Å; E46-I51 WeakPolarHBondContact OE1-CD1 3.17Å; E46-I51 WeakPolarHBondContact OE2-CD1 3.4Å; E46-K53 VanDerWaalsContact CD-NZ 3.3Å; E46-K53 IonicContact OE1-NZ 2.63Å; E46-K53 PolarHBondContact OE1-NZ 3.3Å
47	G	95.2	Very high	97.5	Very high	69 Å²	69	53.3 Å²	53.3	71%	0.711	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-126.3	-167.6	0	0	0	0	0	111
48	D	92.8	Very high	97.3	Very high	163 Å²	163	57.8 Å²	57.8	87%	0.872	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	5	-177.9	-60.8	-39.5	0	0	0	113.8	E46	E46-D48 PolarHBondContact O-N 3.41Å
49	S	96.5	Very high	97.1	Very high	60 Å²	60	54.1 Å²	54.1	42%	0.42	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.8	-175.7	-65.1	0	0	0	0	112.8	R45 E46	R45-S49 CarbonylContact C-O 3.56Å; R45-S49 WeakPolarHBondContact CA-O 3.22Å; E46-S49 PolarHBondContact N-O 2.89Å; E46-S49 PolarHBondContact O-N 2.9Å
50	W	98.2	Very high	97.1	Very high	8 Å²	8	54.4 Å²	54.4	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.4	164.3	-68.3	87.3	0	0	0	109.7	Q9 I11 W24 W43 G44 R45 L312 I324	Q9-W50 PolarHBondContact NE2-O 2.85Å; I11-W50 HydrophobicContact CD1-CB 3.67Å; W24-W50 HydrophobicContact CE3-CH2 4.41Å; W24-W50 HydrophobicContact CH2-CE3 4.49Å; W24-W50 AromaticContact CH2-CH2 3.39Å; W24-W50 HydrophobicContact CH2-CH2 3.39Å; W24-W50 AromaticContact CH2-CZ2 3.41Å; W24-W50 HydrophobicContact CH2-CZ2 3.41Å; W24-W50 VanDerWaalsContact CH2-CZ2 3.41Å; W24-W50 AromaticContact CH2-CZ3 3.93Å; W24-W50 HydrophobicContact CH2-CZ3 3.93Å; W24-W50 HydrophobicContact CZ3-CE3 4.5Å; W24-W50 AromaticContact CZ3-CH2 3.16Å; W24-W50 HydrophobicContact CZ3-CH2 3.16Å; W24-W50 AromaticContact CZ3-CZ2 3.71Å; W24-W50 HydrophobicContact CZ3-CZ2 3.71Å; W24-W50 AromaticContact CZ3-CZ3 3.59Å; W24-W50 HydrophobicContact CZ3-CZ3 3.59Å; W43-W50 HydrophobicContact CB-CE3 4.26Å; G44-W50 WeakPolarHBondContact O-CA 3.01Å; R45-W50 HydrophobicContact CG-CD2 3.86Å; R45-W50 HydrophobicContact CG-CE3 4.16Å; R45-W50 HydrophobicContact CG-CG 4.44Å; R45-W50 HydrophobicContact CG-CH2 3.82Å; R45-W50 HydrophobicContact CG-CZ2 3.59Å; R45-W50 HydrophobicContact CG-CZ3 4.14Å; W50-L312 HydrophobicContact CZ2-CD2 4.11Å; W50-I324 HydrophobicContact CG-CG1 4.32Å
51	I	98.3	Very high	97.1	Very high	56 Å²	56	60.6 Å²	60.6	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.4	179.3	64.3	142.5	0	0	0	110.7	W43 G44 E46 K53	W43-I51 CarbonylContact C-O 3.6Å; W43-I51 VanDerWaalsContact CA-O 3.24Å; W43-I51 WeakPolarHBondContact CA-O 3.48Å; G44-I51 PolarHBondContact N-O 3.27Å; G44-I51 PolarHBondContact O-N 2.99Å; E46-I51 HydrophobicContact CB-CD1 4.39Å; E46-I51 HydrophobicContact CB-CG1 4.25Å; E46-I51 HydrophobicContact CG-CD1 3.72Å; E46-I51 HydrophobicContact CG-CG1 3.86Å; E46-I51 WeakPolarHBondContact OE1-CD1 3.17Å; E46-I51 WeakPolarHBondContact OE2-CD1 3.4Å; I51-K53 HydrophobicContact CD1-CD 4.06Å; I51-K53 HydrophobicContact CG1-CD 4.22Å; I51-K53 PolarHBondContact O-N 2.67Å
52	C	98.3	Very high	97.1	Very high	49 Å²	49	64 Å²	64	33%	0.331	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.8	174.7	-167.6	0	0	0	0	109	W43 T54	W43-C52 HydrophobicContact CE3-CB 3.85Å; W43-C52 VanDerWaalsContact CE3-N 3.31Å; W43-C52 HydrophobicContact CH2-CB 3.96Å; W43-C52 HydrophobicContact CZ3-CB 3.53Å; C52-T54 PolarHBondContact SG-O 2.66Å
53	K	97.8	Very high	97.1	Very high	89 Å²	89	65.4 Å²	65.4	39%	0.387	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-41.9	179.7	-65.3	-64.9	-172.2	163.9	0	112.2	I42 E46 I51	I42-K53 PolarHBondContact O-N 2.73Å; E46-K53 VanDerWaalsContact CD-NZ 3.3Å; E46-K53 IonicContact OE1-NZ 2.63Å; E46-K53 PolarHBondContact OE1-NZ 3.3Å; I51-K53 HydrophobicContact CD1-CD 4.06Å; I51-K53 HydrophobicContact CG1-CD 4.22Å; I51-K53 PolarHBondContact O-N 2.67Å
54	T	97.4	Very high	97.1	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.2	175.5	-176.5	0	0	0	0	110.6	I42 C52 L56 D94 F95	I42-T54 HydrophobicContact CB-CG2 3.64Å; I42-T54 HydrophobicContact CG1-CG2 3.55Å; I42-T54 HydrophobicContact CG2-CG2 4.5Å; I42-T54 PolarHBondContact N-O 2.71Å; C52-T54 PolarHBondContact SG-O 2.66Å; T54-L56 HydrophobicContact CG2-CD1 3.74Å; T54-D94 PolarHBondContact OG1-OD1 3.26Å; T54-F95 HydrophobicContact CG2-CD2 3.84Å; T54-F95 HydrophobicContact CG2-CE2 4.29Å
55	V	98	Very high	97.1	Very high	60 Å²	60	65.9 Å²	65.9	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.5	177.6	-171.3	0	0	0	0	107.5	A39 R41 Q57	A39-V55 HydrophobicContact CB-CG1 4.28Å; R41-V55 HydrophobicContact CG-CG1 4.04Å; R41-V55 HydrophobicContact CG-CG2 4.17Å; V55-Q57 HydrophobicContact CG1-CG 3.7Å
56	L	98	Very high	97.2	Very high	7 Å²	7	61 Å²	61	4%	0.037	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.2	176.9	-72.7	56.9	0	0	0	106.9	I40 I42 T54 L76 W88 F95	I40-L56 HydrophobicContact CB-CB 4.05Å; I40-L56 HydrophobicContact CB-CD2 4.4Å; I40-L56 HydrophobicContact CG2-CD2 4.29Å; I40-L56 PolarHBondContact N-O 3.49Å; I40-L56 PolarHBondContact O-N 3.13Å; I42-L56 HydrophobicContact CG1-CD1 3.91Å; T54-L56 HydrophobicContact CG2-CD1 3.74Å; L56-L76 HydrophobicContact CD2-CD2 4.22Å; L56-W88 HydrophobicContact CB-CD2 4.46Å; L56-W88 HydrophobicContact CB-CE3 4.08Å; L56-W88 HydrophobicContact CB-CH2 3.91Å; L56-W88 HydrophobicContact CB-CZ2 4.3Å; L56-W88 HydrophobicContact CB-CZ3 3.8Å; L56-W88 HydrophobicContact CD2-CB 4.14Å; L56-W88 HydrophobicContact CD2-CD2 3.56Å; L56-W88 HydrophobicContact CD2-CE3 3.65Å; L56-W88 HydrophobicContact CD2-CG 3.78Å; L56-W88 HydrophobicContact CD2-CZ3 4.24Å; L56-W88 HydrophobicContact CG-CD2 4.24Å; L56-W88 HydrophobicContact CG-CE3 3.83Å; L56-W88 HydrophobicContact CG-CZ3 4.01Å; L56-F95 HydrophobicContact CD1-CB 3.89Å; L56-F95 HydrophobicContact CD1-CD2 4.27Å; L56-F95 HydrophobicContact CD1-CG 4.22Å; L56-F95 HydrophobicContact CD2-CB 3.84Å; L56-F95 HydrophobicContact CD2-CD1 4.43Å; L56-F95 HydrophobicContact CD2-CG 4.14Å; L56-F95 HydrophobicContact CG-CB 3.86Å; L56-F95 HydrophobicContact CG-CG 4.5Å
57	Q	94.3	Very high	97.3	Very high	115 Å²	115	55.7 Å²	55.7	54%	0.537	31%	0.306	S	S	.	.			trans	-126.5	171.8	-178.7	-59.7	-168.1	-28.1	0	0	110.4	A39 V55 G59	A39-Q57 HydrophobicContact CB-CG 4.47Å; V55-Q57 HydrophobicContact CG1-CG 3.7Å; Q57-G59 PolarHBondContact O-N 3.16Å
58	D	93.6	Very high	97.5	Very high	146 Å²	146	53 Å²	53	78%	0.781	28%	0.278	S	S	*	.	S	Bend	trans	60.5	-1.1	174.6	-56.1	-39.9	0	0	0	116.9	H60	D58-H60 VanDerWaalsContact C-N 3.34Å
59	G	94.9	Very high	97.8	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	-75.3	-20.2	171.5	0	0	0	0	0	114	Q57 C86	Q57-G59 PolarHBondContact O-N 3.16Å; G59-C86 PolarHBondContact O-SG 2.75Å
60	H	98.4	Very high	97.9	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.032	22%	0.22	C	C	.	.			trans	-137.3	145	-177.1	-73.3	-61	0	0	0	112.8	D58 V64 S78 S80 D82 T84 C86	D58-H60 VanDerWaalsContact C-N 3.34Å; H60-V64 HydrophobicContact CB-CG2 3.93Å; H60-V64 VanDerWaalsContact CD2-CG2 3.47Å; H60-V64 WeakPolarHBondContact CD2-CG2 3.37Å; H60-S78 PolarHBondContact CD2-OG 2.89Å; H60-S78 PolarHBondContact CE1-O 2.83Å; H60-S78 PolarHBondContact NE2-O 3.11Å; H60-S78 VanDerWaalsContact NE2-O 3.15Å; H60-S78 PolarHBondContact NE2-OG 3.5Å; H60-S80 WeakPolarHBondContact CE1-CB 3.11Å; H60-S80 WeakPolarHBondContact ND1-CB 3.29Å; H60-S80 PolarHBondContact ND1-OG 2.88Å; H60-D82 WeakPolarHBondContact CA-OD2 3.31Å; H60-D82 VanDerWaalsContact CB-OD2 3.24Å; H60-D82 WeakPolarHBondContact CB-OD2 3.44Å; H60-D82 IonicContact CG-OD2 3.97Å; H60-D82 IonicContact ND1-OD1 2.73Å; H60-D82 PolarHBondContact ND1-OD1 3.02Å; H60-D82 IonicContact ND1-OD2 3.3Å; H60-D82 PolarHBondContact ND1-OD2 3.1Å; H60-T84 PolarHBondContact CE1-OG1 3.01Å; H60-T84 PolarHBondContact ND1-OG1 3.36Å; H60-C86 PolarHBondContact CE1-SG 3.34Å
61	Q	98.4	Very high	97.9	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	24%	0.236	S	C	*	.	S	Bend	trans	-98	-13.1	-178.6	-61	-55	-44.8	0	0	113	K38 D82	K38-Q61 WeakPolarHBondContact CD-O 3.06Å; K38-Q61 VanDerWaalsContact CE-O 3.22Å; K38-Q61 WeakPolarHBondContact CE-O 3.32Å; K38-Q61 PolarHBondContact NZ-O 2.88Å; Q61-D82 HydrophobicContact CB-CB 4.35Å; Q61-D82 PolarHBondContact N-OD2 2.91Å
62	R	98.8	Very high	97.8	Very high	111 Å²	111	46.7 Å²	46.7	42%	0.419	25%	0.247	S	C	.	.	S	Bend	trans	-133.1	-178.6	176.9	-64.5	178.1	62.9	-167.6	0.8	110.2	V64 S80 F81 D82 E107	R62-V64 PolarHBondContact O-N 2.89Å; R62-S80 PolarHBondContact O-OG 2.8Å; R62-F81 HydrophobicContact CB-CB 3.9Å; R62-F81 WeakPolarHBondContact CD-O 2.96Å; R62-F81 PolarHBondContact NE-O 2.81Å; R62-F81 PolarHBondContact NH1-O 3.16Å; R62-D82 HydrophobicContact CB-CB 4.07Å; R62-D82 HydrophobicContact CG-CB 4.13Å; R62-E107 IonicContact CZ-OE1 3.79Å; R62-E107 VanDerWaalsContact CZ-OE1 3.28Å; R62-E107 IonicContact NH1-OE1 2.81Å; R62-E107 PolarHBondContact NH1-OE1 2.83Å; R62-E107 IonicContact NH2-OE1 3.16Å; R62-E107 PolarHBondContact NH2-OE1 2.85Å
63	T	98.8	Very high	97.8	Very high	30 Å²	30	45 Å²	45	18%	0.184	24%	0.238	C	C	.	.			trans	-48.1	130.7	178.3	-61.1	0	0	0	0	112.2	W20 S80 F81	W20-T63 VanDerWaalsContact CD1-CG2 3.41Å; W20-T63 HydrophobicContact CG-CG2 4.48Å; W20-T63 VanDerWaalsContact NE1-CG2 3.32Å; T63-S80 WeakPolarHBondContact O-CA 3.44Å; T63-S80 PolarHBondContact O-OG 2.76Å; T63-F81 HydrophobicContact CG2-CD2 4.12Å; T63-F81 HydrophobicContact CG2-CE2 4.18Å; T63-F81 PolarHBondContact O-N 3.42Å
64	V	98.9	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.7	168.7	-174.9	0	0	0	0	108.1	C34 G35 I40 H60 R62 V67	C34-V64 HydrophobicContact CB-CB 3.86Å; C34-V64 HydrophobicContact CB-CG1 3.57Å; G35-V64 PolarHBondContact O-N 3.01Å; I40-V64 HydrophobicContact CD1-CG1 4.2Å; I40-V64 HydrophobicContact CG1-CB 4.5Å; I40-V64 HydrophobicContact CG1-CG1 4.01Å; I40-V64 HydrophobicContact CG1-CG2 4.39Å; H60-V64 HydrophobicContact CB-CG2 3.93Å; H60-V64 VanDerWaalsContact CD2-CG2 3.47Å; H60-V64 WeakPolarHBondContact CD2-CG2 3.37Å; R62-V64 PolarHBondContact O-N 2.89Å; V64-V67 HydrophobicContact CG1-CG1 4.15Å
65	R	98.9	Very high	97.8	Very high	26 Å²	26	45.7 Å²	45.7	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-41.9	-169.8	179.8	58.2	-168.7	95.5	-9.9	113.5	W20 A79 F81 K109	W20-R65 WeakPolarHBondContact CB-O 3.4Å; W20-R65 PolarHBondContact O-NH1 3.43Å; R65-A79 PolarHBondContact N-O 3.47Å; R65-F81 HydrophobicContact CB-CD1 4.03Å; R65-F81 HydrophobicContact CB-CE1 3.59Å; R65-F81 HydrophobicContact CB-CZ 4.34Å; R65-F81 HydrophobicContact CG-CE1 3.77Å; R65-F81 HydrophobicContact CG-CZ 4.3Å; R65-K109 VanDerWaalsContact CG-O 3.25Å; R65-K109 WeakPolarHBondContact CG-O 3.32Å
66	K	98.9	Very high	97.9	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.4	176.7	-71.4	-158.8	176.6	-156.2	0	110.5	F21 A79 C110 H155 D251	F21-K66 HydrophobicContact CB-CB 4.38Å; F21-K66 HydrophobicContact CB-CG 4.06Å; F21-K66 HydrophobicContact CD1-CB 4.11Å; F21-K66 HydrophobicContact CD1-CD 4.23Å; F21-K66 HydrophobicContact CD1-CG 4.06Å; F21-K66 HydrophobicContact CD2-CD 3.77Å; F21-K66 HydrophobicContact CD2-CG 3.81Å; F21-K66 HydrophobicContact CE1-CD 4.17Å; F21-K66 HydrophobicContact CE1-CG 4.5Å; F21-K66 HydrophobicContact CE2-CD 3.74Å; F21-K66 VanDerWaalsContact CE2-CE 3.42Å; F21-K66 HydrophobicContact CE2-CG 4.31Å; F21-K66 HydrophobicContact CG-CB 4.15Å; F21-K66 HydrophobicContact CG-CD 4.04Å; F21-K66 HydrophobicContact CG-CG 3.69Å; F21-K66 HydrophobicContact CZ-CD 3.94Å; K66-A79 PolarHBondContact N-O 2.87Å; K66-A79 PolarHBondContact O-N 2.89Å; K66-C110 HydrophobicContact CD-CB 4.19Å; K66-H155 PolarHBondContact NZ-CE1 3.02Å; K66-H155 PolarHBondContact NZ-ND1 2.73Å; K66-D251 IonicContact NZ-OD1 2.56Å
67	V	98.9	Very high	97.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.5	174	-70.1	0	0	0	0	110.1	S23 A32 C34 I40 V64 L76 A77	S23-V67 WeakPolarHBondContact CB-O 3.47Å; A32-V67 HydrophobicContact CB-CG2 3.95Å; C34-V67 HydrophobicContact CB-CG1 3.79Å; C34-V67 HydrophobicContact CB-CG2 4.48Å; I40-V67 HydrophobicContact CD1-CG1 4.01Å; I40-V67 HydrophobicContact CG1-CG1 3.98Å; I40-V67 HydrophobicContact CG2-CG1 4.16Å; V64-V67 HydrophobicContact CG1-CG1 4.15Å; V67-L76 HydrophobicContact CB-CD1 4.22Å; V67-L76 HydrophobicContact CB-CG 4.49Å; V67-A77 CarbonylContact C-O 3.51Å; V67-A77 WeakPolarHBondContact CA-O 3.17Å
68	A	98.9	Very high	98.2	Very high	13 Å²	13	37 Å²	37	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.9	179.3	0	0	0	0	0	111.3	A77 V111 W113	A68-A77 PolarHBondContact N-O 3.26Å; A68-A77 PolarHBondContact O-N 3.11Å; A68-V111 HydrophobicContact CB-CG1 4.14Å; A68-V111 WeakPolarHBondContact CB-O 3.26Å; A68-W113 PolarHBondContact O-NE1 3.36Å; A68-W113 VanDerWaalsContact O-NE1 3.09Å
69	W	98.9	Very high	98.4	Very high	20 Å²	20	30.1 Å²	30.1	8%	0.076	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	143.2	172.5	-68.3	90.5	0	0	0	110.8	S23 P26 L30 A32 I42 Y75 L76 F95	S23-W69 PolarHBondContact O-NE1 2.85Å; P26-W69 HydrophobicContact CG-CB 4.44Å; L30-W69 HydrophobicContact CB-CH2 4.32Å; L30-W69 HydrophobicContact CB-CZ2 4.06Å; L30-W69 HydrophobicContact CD1-CH2 3.95Å; A32-W69 HydrophobicContact CB-CZ2 4.15Å; I42-W69 HydrophobicContact CD1-CH2 4.44Å; I42-W69 HydrophobicContact CD1-CZ2 4.12Å; I42-W69 HydrophobicContact CG2-CZ2 4.48Å; W69-Y75 WeakPolarHBondContact CA-O 3.4Å; W69-L76 HydrophobicContact CD2-CD1 3.7Å; W69-L76 HydrophobicContact CE3-CB 4.49Å; W69-L76 HydrophobicContact CE3-CD1 4.3Å; W69-L76 HydrophobicContact CG-CD1 3.79Å; W69-L76 HydrophobicContact CZ2-CD1 4.34Å; W69-F95 AromaticContact CH2-CE1 3.92Å; W69-F95 HydrophobicContact CH2-CE1 3.92Å; W69-F95 HydrophobicContact CH2-CE2 4.36Å; W69-F95 AromaticContact CH2-CZ 3.4Å; W69-F95 HydrophobicContact CH2-CZ 3.4Å; W69-F95 VanDerWaalsContact CH2-CZ 3.4Å; W69-F95 AromaticContact CZ3-CE1 3.77Å; W69-F95 HydrophobicContact CZ3-CE1 3.77Å; W69-F95 AromaticContact CZ3-CZ 3.6Å; W69-F95 HydrophobicContact CZ3-CZ 3.6Å
70	S	98.7	Very high	98.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	15%	0.152	C	C	.	.			trans	-67.2	155.4	166.2	65.7	0	0	0	0	110.9	P26 C72 G73 Y75	P26-S70 WeakPolarHBondContact CG-O 3.38Å; S70-C72 PolarHBondContact O-N 2.95Å; S70-C72 PolarHBondContact OG-SG 3.48Å; S70-G73 WeakPolarHBondContact O-CA 3.26Å; S70-G73 PolarHBondContact O-N 3.26Å; S70-Y75 PolarHBondContact N-O 2.87Å; S70-Y75 WeakPolarHBondContact OG-CB 3.49Å; S70-Y75 PolarHBondContact OG-N 3.13Å; S70-Y75 VanDerWaalsContact OG-N 3.08Å; S70-Y75 PolarHBondContact OG-O 2.76Å
71	P	98.3	Very high	98.6	Very high	55 Å²	55	30.9 Å²	30.9	36%	0.357	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.4	-179.6	-23.5	32.2	0	0	0	113.8	P26 G73 A114	P26-P71 WeakPolarHBondContact CG-O 3.24Å; P71-G73 VanDerWaalsContact C-N 3.28Å; P71-G73 PolarHBondContact O-N 3.08Å; P71-A114 WeakPolarHBondContact CG-O 3.23Å
72	C	97.4	Very high	98.6	Very high	78 Å²	78	26.2 Å²	26.2	53%	0.527	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.9	175.8	67.6	0	0	0	0	113.2	S70 N74	S70-C72 PolarHBondContact O-N 2.95Å; S70-C72 PolarHBondContact OG-SG 3.48Å; C72-N74 PolarHBondContact O-N 3.24Å
73	G	97.7	Very high	98.6	Very high	13 Å²	13	21.9 Å²	21.9	13%	0.134	13%	0.126	C	C	.	.	S	Bend	trans	76	6.1	179.9	0	0	0	0	0	114.9	S70 P71	S70-G73 WeakPolarHBondContact O-CA 3.26Å; S70-G73 PolarHBondContact O-N 3.26Å; P71-G73 VanDerWaalsContact C-N 3.28Å; P71-G73 PolarHBondContact O-N 3.08Å
74	N	97.3	Very high	98.6	Very high	86 Å²	86	21.4 Å²	21.4	46%	0.46	12%	0.124	S	C	.	.	S	Bend	trans	-91.1	-17.1	179.1	-65.1	-27.2	0	0	0	113.1	C72 K90	C72-N74 PolarHBondContact O-N 3.24Å; N74-K90 VanDerWaalsContact O-CB 3.31Å; N74-K90 WeakPolarHBondContact O-CB 3.23Å; N74-K90 PolarHBondContact O-N 2.92Å
75	Y	98.5	Very high	98.6	Very high	37 Å²	37	21.5 Å²	21.5	15%	0.145	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.8	179.2	-53	-78	0	0	0	110.8	W69 S70 I87 W88 K89 L98 W113 E138	W69-Y75 WeakPolarHBondContact CA-O 3.4Å; S70-Y75 PolarHBondContact N-O 2.87Å; S70-Y75 WeakPolarHBondContact OG-CB 3.49Å; S70-Y75 PolarHBondContact OG-N 3.13Å; S70-Y75 VanDerWaalsContact OG-N 3.08Å; S70-Y75 PolarHBondContact OG-O 2.76Å; Y75-I87 HydrophobicContact CD1-CG2 4.31Å; Y75-W88 CarbonylContact C-O 3.52Å; Y75-W88 VanDerWaalsContact CA-O 3.26Å; Y75-W88 WeakPolarHBondContact CA-O 3.45Å; Y75-K89 HydrophobicContact CD1-CB 4.07Å; Y75-K89 HydrophobicContact CD1-CG 4.08Å; Y75-K89 HydrophobicContact CE1-CB 4Å; Y75-K89 HydrophobicContact CE1-CD 3.89Å; Y75-K89 HydrophobicContact CE1-CG 3.62Å; Y75-L98 HydrophobicContact CD1-CD2 4.29Å; Y75-L98 HydrophobicContact CE1-CD2 3.96Å; Y75-W113 HydrophobicContact CG-CH2 4.39Å; Y75-E138 VanDerWaalsContact OH-CD 3.28Å; Y75-E138 PolarHBondContact OH-OE1 3.07Å
76	L	98.8	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.4	167.6	-174.9	75.4	0	0	0	107.4	A32 I40 I42 L56 V67 W69 W88 F95	A32-L76 HydrophobicContact CB-CD1 3.93Å; A32-L76 HydrophobicContact CB-CD2 4.07Å; I40-L76 HydrophobicContact CG2-CD2 3.83Å; I42-L76 HydrophobicContact CD1-CD2 3.91Å; L56-L76 HydrophobicContact CD2-CD2 4.22Å; V67-L76 HydrophobicContact CB-CD1 4.22Å; V67-L76 HydrophobicContact CB-CG 4.49Å; W69-L76 HydrophobicContact CD2-CD1 3.7Å; W69-L76 HydrophobicContact CE3-CB 4.49Å; W69-L76 HydrophobicContact CE3-CD1 4.3Å; W69-L76 HydrophobicContact CG-CD1 3.79Å; W69-L76 HydrophobicContact CZ2-CD1 4.34Å; L76-W88 HydrophobicContact CB-CB 4.27Å; L76-W88 PolarHBondContact N-O 3.3Å; L76-W88 VanDerWaalsContact O-CD1 3.27Å; L76-W88 PolarHBondContact O-N 3.12Å; L76-F95 HydrophobicContact CB-CE1 4.35Å
77	A	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.2	171.6	0	0	0	0	0	109.9	V67 A68 T85 C86 I87 V111 W113 L120	V67-A77 CarbonylContact C-O 3.51Å; V67-A77 WeakPolarHBondContact CA-O 3.17Å; A68-A77 PolarHBondContact N-O 3.26Å; A68-A77 PolarHBondContact O-N 3.11Å; A77-T85 HydrophobicContact CB-CG2 4.39Å; A77-C86 CarbonylContact C-O 3.52Å; A77-C86 WeakPolarHBondContact CA-O 3.34Å; A77-I87 HydrophobicContact CB-CD1 3.65Å; A77-V111 HydrophobicContact CB-CB 4.39Å; A77-V111 HydrophobicContact CB-CG1 3.97Å; A77-V111 HydrophobicContact CB-CG2 3.56Å; A77-W113 HydrophobicContact CB-CZ2 4.22Å; A77-L120 HydrophobicContact CB-CD1 3.72Å
78	S	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.9	179	57.6	0	0	0	0	112.3	H60 T85 C86 W88	H60-S78 PolarHBondContact CD2-OG 2.89Å; H60-S78 PolarHBondContact CE1-O 2.83Å; H60-S78 PolarHBondContact NE2-O 3.11Å; H60-S78 VanDerWaalsContact NE2-O 3.15Å; H60-S78 PolarHBondContact NE2-OG 3.5Å; S78-T85 CarbonylContact O-C 3.5Å; S78-T85 WeakPolarHBondContact O-CA 3.22Å; S78-C86 PolarHBondContact N-O 2.93Å; S78-C86 PolarHBondContact O-N 3.23Å; S78-C86 PolarHBondContact OG-O 3.1Å; S78-W88 PolarHBondContact OG-NE1 2.86Å
79	A	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.3	176.9	0	0	0	0	0	110.5	R65 K66 V108 V111	R65-A79 PolarHBondContact N-O 3.47Å; K66-A79 PolarHBondContact N-O 2.87Å; K66-A79 PolarHBondContact O-N 2.89Å; A79-V108 HydrophobicContact CB-CB 4.05Å; A79-V108 HydrophobicContact CB-CG1 3.62Å; A79-V111 HydrophobicContact CB-CB 4.08Å; A79-V111 HydrophobicContact CB-CG1 3.98Å
80	S	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.2	-172.7	174.5	0	0	0	0	113.8	H60 R62 T63 D82 A83 T84 V108	H60-S80 WeakPolarHBondContact CE1-CB 3.11Å; H60-S80 WeakPolarHBondContact ND1-CB 3.29Å; H60-S80 PolarHBondContact ND1-OG 2.88Å; R62-S80 PolarHBondContact O-OG 2.8Å; T63-S80 WeakPolarHBondContact O-CA 3.44Å; T63-S80 PolarHBondContact O-OG 2.76Å; S80-D82 WeakPolarHBondContact CB-OD1 3.49Å; S80-D82 PolarHBondContact O-N 2.97Å; S80-D82 PolarHBondContact OG-N 2.8Å; S80-D82 PolarHBondContact OG-OD1 3.5Å; S80-D82 PolarHBondContact OG-OD2 2.7Å; S80-A83 PolarHBondContact O-N 2.84Å; S80-T84 PolarHBondContact N-O 2.86Å; S80-T84 VanDerWaalsContact N-O 3.09Å; S80-V108 WeakPolarHBondContact O-CB 3.46Å; S80-V108 PolarHBondContact O-N 2.94Å
81	F	98.9	Very high	98.2	Very high	42 Å²	42	29 Å²	29	18%	0.184	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.4	174.5	-74.2	4.2	0	0	0	112.9	R62 T63 R65 A83 E107 K109	R62-F81 HydrophobicContact CB-CB 3.9Å; R62-F81 WeakPolarHBondContact CD-O 2.96Å; R62-F81 PolarHBondContact NE-O 2.81Å; R62-F81 PolarHBondContact NH1-O 3.16Å; T63-F81 HydrophobicContact CG2-CD2 4.12Å; T63-F81 HydrophobicContact CG2-CE2 4.18Å; T63-F81 PolarHBondContact O-N 3.42Å; R65-F81 HydrophobicContact CB-CD1 4.03Å; R65-F81 HydrophobicContact CB-CE1 3.59Å; R65-F81 HydrophobicContact CB-CZ 4.34Å; R65-F81 HydrophobicContact CG-CE1 3.77Å; R65-F81 HydrophobicContact CG-CZ 4.3Å; F81-A83 PolarHBondContact O-N 2.87Å; F81-E107 HydrophobicContact CB-CB 4.17Å; F81-E107 HydrophobicContact CB-CG 3.59Å; F81-E107 HydrophobicContact CD1-CB 3.64Å; F81-E107 HydrophobicContact CD1-CG 3.83Å; F81-E107 HydrophobicContact CD2-CG 4.24Å; F81-E107 HydrophobicContact CE1-CB 4.24Å; F81-E107 HydrophobicContact CG-CB 4Å; F81-E107 HydrophobicContact CG-CG 3.63Å; F81-K109 HydrophobicContact CD1-CD 4.43Å; F81-K109 HydrophobicContact CE1-CD 3.73Å
82	D	98.8	Very high	97.7	Very high	33 Å²	33	33.6 Å²	33.6	18%	0.176	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	11.8	170.6	55.1	20	0	0	0	113.7	H60 Q61 R62 S80 T84	H60-D82 WeakPolarHBondContact CA-OD2 3.31Å; H60-D82 VanDerWaalsContact CB-OD2 3.24Å; H60-D82 WeakPolarHBondContact CB-OD2 3.44Å; H60-D82 IonicContact CG-OD2 3.97Å; H60-D82 IonicContact ND1-OD1 2.73Å; H60-D82 PolarHBondContact ND1-OD1 3.02Å; H60-D82 IonicContact ND1-OD2 3.3Å; H60-D82 PolarHBondContact ND1-OD2 3.1Å; Q61-D82 HydrophobicContact CB-CB 4.35Å; Q61-D82 PolarHBondContact N-OD2 2.91Å; R62-D82 HydrophobicContact CB-CB 4.07Å; R62-D82 HydrophobicContact CG-CB 4.13Å; S80-D82 WeakPolarHBondContact CB-OD1 3.49Å; S80-D82 PolarHBondContact O-N 2.97Å; S80-D82 PolarHBondContact OG-N 2.8Å; S80-D82 PolarHBondContact OG-OD1 3.5Å; S80-D82 PolarHBondContact OG-OD2 2.7Å; D82-T84 PolarHBondContact O-N 3.45Å; D82-T84 PolarHBondContact OD1-N 3.29Å; D82-T84 PolarHBondContact OD1-OG1 3.15Å
83	A	98.9	Very high	97.2	Very high	21 Å²	21	36.8 Å²	36.8	17%	0.174	19%	0.188	C	C	.	.	S	Bend	trans	70.2	12.6	-179.6	0	0	0	0	0	114.2	S80 F81 N106	S80-A83 PolarHBondContact O-N 2.84Å; F81-A83 PolarHBondContact O-N 2.87Å; A83-N106 WeakPolarHBondContact CA-O 3.22Å; A83-N106 WeakPolarHBondContact CB-O 3.43Å
84	T	98.9	Very high	96.9	Very high	20 Å²	20	40.3 Å²	40.3	12%	0.123	20%	0.204	C	C	.	.			trans	-115.4	161	176.5	78.9	0	0	0	0	112.8	H60 S80 D82 V100 L101 E102	H60-T84 PolarHBondContact CE1-OG1 3.01Å; H60-T84 PolarHBondContact ND1-OG1 3.36Å; S80-T84 PolarHBondContact N-O 2.86Å; S80-T84 VanDerWaalsContact N-O 3.09Å; D82-T84 PolarHBondContact O-N 3.45Å; D82-T84 PolarHBondContact OD1-N 3.29Å; D82-T84 PolarHBondContact OD1-OG1 3.15Å; T84-V100 HydrophobicContact CG2-CG1 3.92Å; T84-L101 WeakPolarHBondContact CA-O 3.13Å; T84-E102 HydrophobicContact CG2-CG 4.07Å
85	T	98.9	Very high	96.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.5	165.2	-63.7	0	0	0	0	109.5	A77 S78 I87 L101 V111 T122	A77-T85 HydrophobicContact CB-CG2 4.39Å; S78-T85 CarbonylContact O-C 3.5Å; S78-T85 WeakPolarHBondContact O-CA 3.22Å; T85-I87 HydrophobicContact CG2-CD1 4.41Å; T85-L101 HydrophobicContact CG2-CD1 4.32Å; T85-L101 PolarHBondContact N-O 3.3Å; T85-L101 PolarHBondContact O-N 2.84Å; T85-V111 HydrophobicContact CG2-CB 4.25Å; T85-V111 HydrophobicContact CG2-CG2 3.97Å; T85-T122 HydrophobicContact CG2-CG2 4.08Å; T85-T122 WeakPolarHBondContact OG1-CG2 3.37Å
86	C	98.9	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.9	177.1	-66	0	0	0	0	110.6	G59 H60 A77 S78 W88	G59-C86 PolarHBondContact O-SG 2.75Å; H60-C86 PolarHBondContact CE1-SG 3.34Å; A77-C86 CarbonylContact C-O 3.52Å; A77-C86 WeakPolarHBondContact CA-O 3.34Å; S78-C86 PolarHBondContact N-O 2.93Å; S78-C86 PolarHBondContact O-N 3.23Å; S78-C86 PolarHBondContact OG-O 3.1Å; C86-W88 HydrophobicContact CB-CZ2 4.31Å
87	I	98.8	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.6	172.1	-52.6	-56.6	0	0	0	108.3	Y75 A77 T85 L98 T99 L101 W113 L120 Y140	Y75-I87 HydrophobicContact CD1-CG2 4.31Å; A77-I87 HydrophobicContact CB-CD1 3.65Å; T85-I87 HydrophobicContact CG2-CD1 4.41Å; I87-L98 HydrophobicContact CG2-CB 4.47Å; I87-L98 HydrophobicContact CG2-CD2 4.16Å; I87-L98 WeakPolarHBondContact O-CB 2.95Å; I87-L98 PolarHBondContact O-N 2.87Å; I87-T99 HydrophobicContact CB-CG2 3.91Å; I87-T99 HydrophobicContact CG1-CG2 3.79Å; I87-T99 PolarHBondContact N-O 3.29Å; I87-T99 PolarHBondContact O-N 2.89Å; I87-L101 HydrophobicContact CD1-CD1 4.15Å; I87-L101 HydrophobicContact CG1-CD1 4.36Å; I87-L101 HydrophobicContact CG1-CG 4.31Å; I87-W113 HydrophobicContact CD1-CZ2 4.33Å; I87-L120 HydrophobicContact CD1-CD1 3.73Å; I87-Y140 HydrophobicContact CD1-CE1 4.29Å; I87-Y140 HydrophobicContact CG1-CE1 4.12Å; I87-Y140 HydrophobicContact CG1-CE2 4.31Å; I87-Y140 HydrophobicContact CG2-CE2 4.43Å
88	W	98.6	Very high	96.5	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.045	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.2	-179.4	-51.3	81.2	0	0	0	109.5	I40 L56 Y75 L76 S78 C86 F95 E96	I40-W88 HydrophobicContact CD1-CZ2 4.06Å; L56-W88 HydrophobicContact CB-CD2 4.46Å; L56-W88 HydrophobicContact CB-CE3 4.08Å; L56-W88 HydrophobicContact CB-CH2 3.91Å; L56-W88 HydrophobicContact CB-CZ2 4.3Å; L56-W88 HydrophobicContact CB-CZ3 3.8Å; L56-W88 HydrophobicContact CD2-CB 4.14Å; L56-W88 HydrophobicContact CD2-CD2 3.56Å; L56-W88 HydrophobicContact CD2-CE3 3.65Å; L56-W88 HydrophobicContact CD2-CG 3.78Å; L56-W88 HydrophobicContact CD2-CZ3 4.24Å; L56-W88 HydrophobicContact CG-CD2 4.24Å; L56-W88 HydrophobicContact CG-CE3 3.83Å; L56-W88 HydrophobicContact CG-CZ3 4.01Å; Y75-W88 CarbonylContact C-O 3.52Å; Y75-W88 VanDerWaalsContact CA-O 3.26Å; Y75-W88 WeakPolarHBondContact CA-O 3.45Å; L76-W88 HydrophobicContact CB-CB 4.27Å; L76-W88 PolarHBondContact N-O 3.3Å; L76-W88 VanDerWaalsContact O-CD1 3.27Å; L76-W88 PolarHBondContact O-N 3.12Å; S78-W88 PolarHBondContact OG-NE1 2.86Å; C86-W88 HydrophobicContact CB-CZ2 4.31Å; W88-F95 HydrophobicContact CB-CD1 4.13Å; W88-E96 CarbonylContact C-O 3.08Å; W88-E96 WeakPolarHBondContact CA-O 3.37Å
89	K	97.7	Very high	96.4	Very high	47 Å²	47	46.4 Å²	46.4	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129	176.5	-172.6	173.7	-165.4	170.6	0	110.1	Y75 K91 F95 E96 L98 E138	Y75-K89 HydrophobicContact CD1-CB 4.07Å; Y75-K89 HydrophobicContact CD1-CG 4.08Å; Y75-K89 HydrophobicContact CE1-CB 4Å; Y75-K89 HydrophobicContact CE1-CD 3.89Å; Y75-K89 HydrophobicContact CE1-CG 3.62Å; K89-K91 PolarHBondContact O-N 2.61Å; K89-F95 WeakPolarHBondContact O-CA 3.03Å; K89-E96 HydrophobicContact CB-CG 4.22Å; K89-E96 PolarHBondContact N-O 2.8Å; K89-E96 PolarHBondContact O-N 3.31Å; K89-L98 HydrophobicContact CB-CB 4.25Å; K89-E138 WeakPolarHBondContact CE-OE1 3.41Å; K89-E138 IonicContact NZ-OE1 3.36Å; K89-E138 PolarHBondContact NZ-OE1 3.28Å; K89-E138 IonicContact NZ-OE2 3.52Å; K89-E138 PolarHBondContact NZ-OE2 2.7Å
90	K	96.3	Very high	96.4	Very high	59 Å²	59	49.4 Å²	49.4	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.1	173	-170.9	178.8	177.5	-178.1	0	109.6	N74 N92 D94 F95	N74-K90 VanDerWaalsContact O-CB 3.31Å; N74-K90 WeakPolarHBondContact O-CB 3.23Å; N74-K90 PolarHBondContact O-N 2.92Å; K90-N92 WeakPolarHBondContact CE-O 3.36Å; K90-D94 WeakPolarHBondContact CA-O 3.2Å; K90-F95 HydrophobicContact CB-CD1 4.15Å; K90-F95 HydrophobicContact CB-CE1 3.62Å; K90-F95 HydrophobicContact CB-CE2 4.46Å; K90-F95 HydrophobicContact CB-CZ 3.77Å; K90-F95 HydrophobicContact CD-CE1 4.5Å; K90-F95 HydrophobicContact CD-CE2 4.39Å; K90-F95 HydrophobicContact CD-CZ 3.84Å; K90-F95 HydrophobicContact CG-CE1 4.04Å; K90-F95 HydrophobicContact CG-CE2 4.01Å; K90-F95 HydrophobicContact CG-CZ 3.64Å
91	K	93.2	Very high	96.4	Very high	104 Å²	104	49.8 Å²	49.8	45%	0.452	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.2	170.6	-77.2	-171.9	174.3	163.5	0	109.2	K89 D93 D94 E96	K89-K91 PolarHBondContact O-N 2.61Å; K91-D93 PolarHBondContact O-N 3.35Å; K91-D94 PolarHBondContact N-O 2.88Å; K91-D94 PolarHBondContact O-N 3.34Å; K91-D94 VanDerWaalsContact O-N 3.07Å; K91-E96 HydrophobicContact CD-CG 4.29Å; K91-E96 WeakPolarHBondContact CD-OE1 3.22Å; K91-E96 WeakPolarHBondContact CD-OE2 3.1Å; K91-E96 WeakPolarHBondContact CE-OE1 3.43Å; K91-E96 WeakPolarHBondContact CE-OE2 3.13Å; K91-E96 IonicContact NZ-OE1 3.4Å; K91-E96 PolarHBondContact NZ-OE1 2.91Å; K91-E96 IonicContact NZ-OE2 2.71Å; K91-E96 PolarHBondContact NZ-OE2 2.83Å
92	N	88.9	Confident	96.4	Very high	152 Å²	152	54.5 Å²	54.5	81%	0.813	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	-118	-171.7	-53.2	-47.4	0	0	0	111.1	K90	K90-N92 WeakPolarHBondContact CE-O 3.36Å
93	D	85.8	Confident	96.4	Very high	144 Å²	144	54.8 Å²	54.8	77%	0.77	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	8.4	179.2	-66.8	-41.1	0	0	0	113.5	K91	K91-D93 PolarHBondContact O-N 3.35Å
94	D	91.9	Very high	96.4	Very high	87 Å²	87	54.5 Å²	54.5	47%	0.465	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	175.3	-180	-153.8	7.5	0	0	0	112.9	T54 K90 K91	T54-D94 PolarHBondContact OG1-OD1 3.26Å; K90-D94 WeakPolarHBondContact CA-O 3.2Å; K91-D94 PolarHBondContact N-O 2.88Å; K91-D94 PolarHBondContact O-N 3.34Å; K91-D94 VanDerWaalsContact O-N 3.07Å
95	F	96.8	Very high	96.3	Very high	19 Å²	19	61.5 Å²	61.5	8%	0.083	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.7	-177.9	-72.1	-103	0	0	0	111.3	I42 T54 L56 W69 L76 W88 K89 K90	I42-F95 HydrophobicContact CG1-CD2 4.24Å; I42-F95 HydrophobicContact CG1-CE2 4.06Å; I42-F95 HydrophobicContact CG2-CE2 4.49Å; T54-F95 HydrophobicContact CG2-CD2 3.84Å; T54-F95 HydrophobicContact CG2-CE2 4.29Å; L56-F95 HydrophobicContact CD1-CB 3.89Å; L56-F95 HydrophobicContact CD1-CD2 4.27Å; L56-F95 HydrophobicContact CD1-CG 4.22Å; L56-F95 HydrophobicContact CD2-CB 3.84Å; L56-F95 HydrophobicContact CD2-CD1 4.43Å; L56-F95 HydrophobicContact CD2-CG 4.14Å; L56-F95 HydrophobicContact CG-CB 3.86Å; L56-F95 HydrophobicContact CG-CG 4.5Å; W69-F95 AromaticContact CH2-CE1 3.92Å; W69-F95 HydrophobicContact CH2-CE1 3.92Å; W69-F95 HydrophobicContact CH2-CE2 4.36Å; W69-F95 AromaticContact CH2-CZ 3.4Å; W69-F95 HydrophobicContact CH2-CZ 3.4Å; W69-F95 VanDerWaalsContact CH2-CZ 3.4Å; W69-F95 AromaticContact CZ3-CE1 3.77Å; W69-F95 HydrophobicContact CZ3-CE1 3.77Å; W69-F95 AromaticContact CZ3-CZ 3.6Å; W69-F95 HydrophobicContact CZ3-CZ 3.6Å; L76-F95 HydrophobicContact CB-CE1 4.35Å; W88-F95 HydrophobicContact CB-CD1 4.13Å; K89-F95 WeakPolarHBondContact O-CA 3.03Å; K90-F95 HydrophobicContact CB-CD1 4.15Å; K90-F95 HydrophobicContact CB-CE1 3.62Å; K90-F95 HydrophobicContact CB-CE2 4.46Å; K90-F95 HydrophobicContact CB-CZ 3.77Å; K90-F95 HydrophobicContact CD-CE1 4.5Å; K90-F95 HydrophobicContact CD-CE2 4.39Å; K90-F95 HydrophobicContact CD-CZ 3.84Å; K90-F95 HydrophobicContact CG-CE1 4.04Å; K90-F95 HydrophobicContact CG-CE2 4.01Å; K90-F95 HydrophobicContact CG-CZ 3.64Å
96	E	95.3	Very high	96.3	Very high	70 Å²	70	63.9 Å²	63.9	33%	0.327	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.2	171.8	61.6	177.4	-162.4	0	0	110.5	W88 K89 K91 L98	W88-E96 CarbonylContact C-O 3.08Å; W88-E96 WeakPolarHBondContact CA-O 3.37Å; K89-E96 HydrophobicContact CB-CG 4.22Å; K89-E96 PolarHBondContact N-O 2.8Å; K89-E96 PolarHBondContact O-N 3.31Å; K91-E96 HydrophobicContact CD-CG 4.29Å; K91-E96 WeakPolarHBondContact CD-OE1 3.22Å; K91-E96 WeakPolarHBondContact CD-OE2 3.1Å; K91-E96 WeakPolarHBondContact CE-OE1 3.43Å; K91-E96 WeakPolarHBondContact CE-OE2 3.13Å; K91-E96 IonicContact NZ-OE1 3.4Å; K91-E96 PolarHBondContact NZ-OE1 2.91Å; K91-E96 IonicContact NZ-OE2 2.71Å; K91-E96 PolarHBondContact NZ-OE2 2.83Å; E96-L98 PolarHBondContact O-N 3.07Å
97	S	95.9	Very high	96.3	Very high	59 Å²	59	65.2 Å²	65.2	41%	0.413	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	116.4	169.9	-173.2	0	0	0	0	108.8
98	L	96.8	Very high	96.3	Very high	55 Å²	55	65.2 Å²	65.2	29%	0.288	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-54	179.1	176.4	64.6	0	0	0	110.9	Y75 I87 K89 E96 E138 Y140	Y75-L98 HydrophobicContact CD1-CD2 4.29Å; Y75-L98 HydrophobicContact CE1-CD2 3.96Å; I87-L98 HydrophobicContact CG2-CB 4.47Å; I87-L98 HydrophobicContact CG2-CD2 4.16Å; I87-L98 WeakPolarHBondContact O-CB 2.95Å; I87-L98 PolarHBondContact O-N 2.87Å; K89-L98 HydrophobicContact CB-CB 4.25Å; E96-L98 PolarHBondContact O-N 3.07Å; L98-E138 HydrophobicContact CD2-CB 4.12Å; L98-Y140 HydrophobicContact CD2-CE2 4.49Å
99	T	97.9	Very high	96.4	Very high	49 Å²	49	65.6 Å²	65.6	30%	0.301	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165.8	-178.9	-167.5	0	0	0	0	111.4	I87 L101 Y140	I87-T99 HydrophobicContact CB-CG2 3.91Å; I87-T99 HydrophobicContact CG1-CG2 3.79Å; I87-T99 PolarHBondContact N-O 3.29Å; I87-T99 PolarHBondContact O-N 2.89Å; T99-L101 HydrophobicContact CG2-CD2 4.06Å; T99-Y140 HydrophobicContact CG2-CD2 3.61Å; T99-Y140 HydrophobicContact CG2-CE2 3.87Å; T99-Y140 HydrophobicContact CG2-CG 4.35Å
100	V	98.4	Very high	96.4	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.376	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.2	176	-175.6	0	0	0	0	108.1	T84 E102	T84-V100 HydrophobicContact CG2-CG1 3.92Å; V100-E102 HydrophobicContact CG1-CG 4.06Å
101	L	98.8	Very high	96.6	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	174.8	-45.8	-177.4	0	0	0	108.5	T84 T85 I87 T99 L120 W132 Y140	T84-L101 WeakPolarHBondContact CA-O 3.13Å; T85-L101 HydrophobicContact CG2-CD1 4.32Å; T85-L101 PolarHBondContact N-O 3.3Å; T85-L101 PolarHBondContact O-N 2.84Å; I87-L101 HydrophobicContact CD1-CD1 4.15Å; I87-L101 HydrophobicContact CG1-CD1 4.36Å; I87-L101 HydrophobicContact CG1-CG 4.31Å; T99-L101 HydrophobicContact CG2-CD2 4.06Å; L101-L120 HydrophobicContact CD1-CD2 3.8Å; L101-W132 HydrophobicContact CB-CD2 4.48Å; L101-W132 HydrophobicContact CB-CE3 4.46Å; L101-W132 HydrophobicContact CB-CH2 4.05Å; L101-W132 HydrophobicContact CB-CZ2 4.03Å; L101-W132 HydrophobicContact CB-CZ3 4.25Å; L101-W132 HydrophobicContact CD1-CD2 3.93Å; L101-W132 HydrophobicContact CD1-CE3 4.35Å; L101-W132 HydrophobicContact CD1-CG 4.02Å; L101-W132 HydrophobicContact CD2-CE3 4.33Å; L101-Y140 HydrophobicContact CD1-CD1 4.27Å; L101-Y140 VanDerWaalsContact CD2-CB 3.43Å; L101-Y140 HydrophobicContact CD2-CD1 4.08Å; L101-Y140 HydrophobicContact CD2-CD2 4.41Å; L101-Y140 HydrophobicContact CD2-CG 3.73Å
102	E	98.7	Very high	96.8	Very high	141 Å²	141	56.4 Å²	56.4	66%	0.659	31%	0.306	S	S	*	.			trans	-120.9	151	-179.3	-60	-171.7	159.8	0	0	110.3	T84 V100 W132	T84-E102 HydrophobicContact CG2-CG 4.07Å; V100-E102 HydrophobicContact CG1-CG 4.06Å; E102-W132 WeakPolarHBondContact O-CH2 3.47Å
103	G	98.5	Very high	97.3	Very high	40 Å²	40	50.2 Å²	50.2	41%	0.412	27%	0.271	S	S	.	.			trans	150.5	-30.4	174.2	0	0	0	0	0	114	W130	G103-W130 VanDerWaalsContact C-CZ2 3.5Å; G103-W130 WeakPolarHBondContact O-CH2 3.09Å; G103-W130 WeakPolarHBondContact O-CZ2 3.32Å
104	H	98.8	Very high	97.9	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.065	24%	0.235	C	C	.	.			trans	-59.8	139.9	170.8	-80	-59.1	0	0	0	111.5	N106 V108 T122 S124 D126 S128 W130	H104-N106 VanDerWaalsContact C-N 3.34Å; H104-V108 HydrophobicContact CB-CG2 4.17Å; H104-T122 PolarHBondContact NE2-OG1 3.04Å; H104-S124 VanDerWaalsContact CE1-CB 3.48Å; H104-S124 WeakPolarHBondContact CE1-CB 3.43Å; H104-S124 WeakPolarHBondContact ND1-CB 3.47Å; H104-D126 VanDerWaalsContact CA-OD2 3.32Å; H104-D126 WeakPolarHBondContact CA-OD2 3.4Å; H104-D126 VanDerWaalsContact CB-OD2 3.3Å; H104-D126 WeakPolarHBondContact CB-OD2 3.39Å; H104-D126 IonicContact CE1-OD2 3.71Å; H104-D126 IonicContact CG-OD2 2.85Å; H104-D126 IonicContact ND1-OD1 3.74Å; H104-D126 IonicContact ND1-OD2 3.89Å; H104-D126 PolarHBondContact ND1-OD2 3.5Å; H104-S128 PolarHBondContact CE1-OG 3.16Å; H104-S128 PolarHBondContact ND1-OG 3.4Å; H104-W130 AromaticContact CE1-CD1 3.1Å; H104-W130 AromaticContact CE1-CG 3.65Å; H104-W130 AromaticContact CE1-NE1 3.42Å; H104-W130 PolarHBondContact CE1-NE1 3.46Å; H104-W130 AromaticContact ND1-CD1 3.65Å; H104-W130 AromaticContact ND1-NE1 3.45Å; H104-W130 PolarHBondContact ND1-NE1 2.88Å; H104-W130 AromaticContact NE2-CD1 3.79Å; H104-W130 AromaticContact NE2-CG 3.88Å
105	E	98.6	Very high	98.2	Very high	167 Å²	167	41.3 Å²	41.3	78%	0.78	23%	0.226	S	C	*	.	S	Bend	trans	-82.7	-16.2	-178.7	-62	-172.8	167.3	0	0	112.7	D126	E105-D126 HydrophobicContact CB-CB 4.11Å; E105-D126 PolarHBondContact N-OD2 2.78Å
106	N	98.8	Very high	98.3	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.283	24%	0.242	S	C	.	.	S	Bend	trans	-143	-174.4	-174	-63.2	112.6	0	0	0	111.8	A83 H104 V108 S124 R125 D126	A83-N106 WeakPolarHBondContact CA-O 3.22Å; A83-N106 WeakPolarHBondContact CB-O 3.43Å; H104-N106 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 3.17Å; N106-S124 PolarHBondContact O-OG 2.91Å; N106-R125 HydrophobicContact CB-CB 3.81Å; N106-R125 HydrophobicContact CB-CG 4.49Å; N106-D126 HydrophobicContact CB-CB 4.28Å
107	E	98.9	Very high	98.4	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.131	24%	0.235	C	C	.	.			trans	-52.4	121.5	-178.2	-67.2	79	-170.5	0	0	113.1	R62 F81 K109 S124 R125	R62-E107 IonicContact CZ-OE1 3.79Å; R62-E107 VanDerWaalsContact CZ-OE1 3.28Å; R62-E107 IonicContact NH1-OE1 2.81Å; R62-E107 PolarHBondContact NH1-OE1 2.83Å; R62-E107 IonicContact NH2-OE1 3.16Å; R62-E107 PolarHBondContact NH2-OE1 2.85Å; F81-E107 HydrophobicContact CB-CB 4.17Å; F81-E107 HydrophobicContact CB-CG 3.59Å; F81-E107 HydrophobicContact CD1-CB 3.64Å; F81-E107 HydrophobicContact CD1-CG 3.83Å; F81-E107 HydrophobicContact CD2-CG 4.24Å; F81-E107 HydrophobicContact CE1-CB 4.24Å; F81-E107 HydrophobicContact CG-CB 4Å; F81-E107 HydrophobicContact CG-CG 3.63Å; E107-K109 HydrophobicContact CB-CD 4.27Å; E107-K109 VanDerWaalsContact CB-CE 3.46Å; E107-K109 VanDerWaalsContact O-CE 3.29Å; E107-K109 WeakPolarHBondContact O-CE 3.45Å; E107-S124 WeakPolarHBondContact O-CA 3.36Å; E107-S124 PolarHBondContact O-OG 2.89Å; E107-R125 HydrophobicContact CB-CB 4.45Å; E107-R125 PolarHBondContact O-N 3.2Å; E107-R125 WeakPolarHBondContact OE2-CD 3.46Å
108	V	98.9	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.1	170.1	-164.5	0	0	0	0	108.9	A79 S80 H104 N106 T122 C123	A79-V108 HydrophobicContact CB-CB 4.05Å; A79-V108 HydrophobicContact CB-CG1 3.62Å; S80-V108 WeakPolarHBondContact O-CB 3.46Å; S80-V108 PolarHBondContact O-N 2.94Å; H104-V108 HydrophobicContact CB-CG2 4.17Å; N106-V108 PolarHBondContact O-N 3.17Å; V108-T122 HydrophobicContact CG1-CG2 4.49Å; V108-C123 WeakPolarHBondContact CG1-O 3.21Å
109	K	98.9	Very high	98.6	Very high	19 Å²	19	40.6 Å²	40.6	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-30.2	-172.5	-57.1	-50.9	178.2	59.5	0	113.4	R65 F81 E107 C123 D152 V153	R65-K109 VanDerWaalsContact CG-O 3.25Å; R65-K109 WeakPolarHBondContact CG-O 3.32Å; F81-K109 HydrophobicContact CD1-CD 4.43Å; F81-K109 HydrophobicContact CE1-CD 3.73Å; E107-K109 HydrophobicContact CB-CD 4.27Å; E107-K109 VanDerWaalsContact CB-CE 3.46Å; E107-K109 VanDerWaalsContact O-CE 3.29Å; E107-K109 WeakPolarHBondContact O-CE 3.45Å; K109-C123 PolarHBondContact N-O 2.82Å; K109-D152 IonicContact NZ-OD1 3.68Å; K109-D152 PolarHBondContact NZ-OD1 2.99Å; K109-D152 IonicContact NZ-OD2 2.73Å; K109-D152 PolarHBondContact NZ-OD2 2.64Å; K109-V153 VanDerWaalsContact CB-O 3.29Å; K109-V153 WeakPolarHBondContact CB-O 3.16Å; K109-V153 VanDerWaalsContact CG-O 3.3Å; K109-V153 WeakPolarHBondContact CG-O 3.47Å
110	C	98.9	Very high	98.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.4	-177.8	-170	0	0	0	0	111.2	K66 T122 C123 H155 V156	K66-C110 HydrophobicContact CD-CB 4.19Å; C110-T122 WeakPolarHBondContact O-CA 3.4Å; C110-C123 VanDerWaalsContact CB-SG 3.58Å; C110-C123 PolarHBondContact O-N 2.81Å; C110-C123 VanDerWaalsContact O-N 3.14Å; C110-H155 PolarHBondContact SG-CE1 2.84Å; C110-H155 PolarHBondContact SG-ND1 2.91Å; C110-V156 HydrophobicContact CB-CG2 3.9Å; C110-V156 PolarHBondContact SG-N 3.25Å; C110-V156 PolarHBondContact SG-O 3.39Å
111	V	98.9	Very high	98.7	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.5	167.2	59.1	0	0	0	0	108.7	A68 A77 A79 T85 L120 A121 T122	A68-V111 HydrophobicContact CB-CG1 4.14Å; A68-V111 WeakPolarHBondContact CB-O 3.26Å; A77-V111 HydrophobicContact CB-CB 4.39Å; A77-V111 HydrophobicContact CB-CG1 3.97Å; A77-V111 HydrophobicContact CB-CG2 3.56Å; A79-V111 HydrophobicContact CB-CB 4.08Å; A79-V111 HydrophobicContact CB-CG1 3.98Å; T85-V111 HydrophobicContact CG2-CB 4.25Å; T85-V111 HydrophobicContact CG2-CG2 3.97Å; V111-L120 HydrophobicContact CG2-CD1 3.69Å; V111-L120 HydrophobicContact CG2-CD2 3.68Å; V111-L120 HydrophobicContact CG2-CG 3.7Å; V111-A121 CarbonylContact C-O 3.6Å; V111-A121 VanDerWaalsContact CA-O 3.24Å; V111-A121 WeakPolarHBondContact CA-O 3.35Å; V111-T122 HydrophobicContact CB-CG2 4.33Å; V111-T122 HydrophobicContact CG2-CG2 4.12Å
112	A	98.9	Very high	98.7	Very high	12 Å²	12	35 Å²	35	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.6	175.1	0	0	0	0	0	110.8	L120 A121 V156 W158	A112-L120 CarbonylContact O-C 3.59Å; A112-L120 WeakPolarHBondContact O-CA 3.44Å; A112-A121 PolarHBondContact N-O 3.39Å; A112-A121 PolarHBondContact O-N 2.91Å; A112-V156 HydrophobicContact CB-CG2 4.11Å; A112-V156 WeakPolarHBondContact CB-O 3.47Å; A112-W158 PolarHBondContact O-NE1 3.13Å
113	W	98.9	Very high	98.7	Very high	22 Å²	22	28.2 Å²	28.2	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.3	175.7	-67.7	87.1	0	0	0	111.3	A68 Y75 A77 I87 L120 V134 Y140 W158	A68-W113 PolarHBondContact O-NE1 3.36Å; A68-W113 VanDerWaalsContact O-NE1 3.09Å; Y75-W113 HydrophobicContact CG-CH2 4.39Å; A77-W113 HydrophobicContact CB-CZ2 4.22Å; I87-W113 HydrophobicContact CD1-CZ2 4.33Å; W113-L120 HydrophobicContact CD2-CD1 3.91Å; W113-L120 HydrophobicContact CE3-CB 4.34Å; W113-L120 HydrophobicContact CE3-CD1 4.25Å; W113-L120 HydrophobicContact CH2-CD1 4.1Å; W113-L120 HydrophobicContact CZ2-CD1 3.72Å; W113-L120 HydrophobicContact CZ3-CD1 4.34Å; W113-V134 HydrophobicContact CZ3-CG1 4.47Å; W113-Y140 HydrophobicContact CH2-CE1 4.12Å; W113-Y140 WeakPolarHBondContact CH2-OH 3.28Å; W113-Y140 HydrophobicContact CZ3-CE1 4.45Å; W113-W158 WeakPolarHBondContact O-CB 3.31Å
114	A	98.8	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.			trans	-62.8	156.4	167	0	0	0	0	0	112.2	P71 S116 G117 L119 W158 E163	P71-A114 WeakPolarHBondContact CG-O 3.23Å; A114-S116 VanDerWaalsContact C-N 3.26Å; A114-S116 PolarHBondContact O-N 2.88Å; A114-G117 PolarHBondContact O-N 3.16Å; A114-L119 HydrophobicContact CB-CB 3.65Å; A114-L119 VanDerWaalsContact CB-O 3.3Å; A114-L119 WeakPolarHBondContact CB-O 3.42Å; A114-L119 PolarHBondContact N-O 2.99Å; A114-W158 VanDerWaalsContact CA-CG 3.47Å; A114-W158 HydrophobicContact CB-CD2 3.76Å; A114-W158 HydrophobicContact CB-CE3 3.83Å; A114-W158 HydrophobicContact CB-CG 4.22Å; A114-W158 HydrophobicContact CB-CH2 4.29Å; A114-W158 HydrophobicContact CB-CZ2 4.23Å; A114-W158 HydrophobicContact CB-CZ3 4.07Å; A114-W158 VanDerWaalsContact N-CD1 3.34Å; A114-E163 WeakPolarHBondContact CB-OE2 3.42Å
115	P	98.3	Very high	98.7	Very high	44 Å²	44	32 Å²	32	29%	0.286	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.2	177.6	27.2	-35.3	0	0	0	113.3	G117 K162	P115-G117 VanDerWaalsContact C-N 3.27Å; P115-G117 PolarHBondContact O-N 3.02Å; P115-K162 WeakPolarHBondContact CG-O 3.46Å
116	S	97.9	Very high	98.7	Very high	59 Å²	59	25.3 Å²	25.3	41%	0.413	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-33	171.8	55	0	0	0	0	112.9	A114 N118 E163	A114-S116 VanDerWaalsContact C-N 3.26Å; A114-S116 PolarHBondContact O-N 2.88Å; S116-N118 VanDerWaalsContact C-N 3.26Å; S116-N118 PolarHBondContact OG-N 3.49Å; S116-E163 WeakPolarHBondContact CB-OE1 3.38Å; S116-E163 PolarHBondContact N-OE1 2.8Å; S116-E163 PolarHBondContact OG-OE1 3.37Å
117	G	98.1	Very high	98.7	Very high	17 Å²	17	27 Å²	27	18%	0.175	14%	0.14	C	C	.	.	S	Bend	trans	82.8	-2.4	-167.9	0	0	0	0	0	114.2	A114 P115	A114-G117 PolarHBondContact O-N 3.16Å; P115-G117 VanDerWaalsContact C-N 3.27Å; P115-G117 PolarHBondContact O-N 3.02Å
118	N	97.9	Very high	98.7	Very high	95 Å²	95	25.9 Å²	25.9	51%	0.508	14%	0.135	S	C	.	.	S	Bend	trans	-89.9	-18.7	-179.9	-64.1	0.7	0	0	0	112.6	S116 E133 V134	S116-N118 VanDerWaalsContact C-N 3.26Å; S116-N118 PolarHBondContact OG-N 3.49Å; N118-E133 WeakPolarHBondContact O-CA 3.36Å; N118-V134 WeakPolarHBondContact O-CG1 3.21Å; N118-V134 PolarHBondContact O-N 2.87Å
119	L	98.7	Very high	98.7	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.084	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	176.4	-57.9	175.9	0	0	0	111.7	A114 V131 W132 E133 W158 W184	A114-L119 HydrophobicContact CB-CB 3.65Å; A114-L119 VanDerWaalsContact CB-O 3.3Å; A114-L119 WeakPolarHBondContact CB-O 3.42Å; A114-L119 PolarHBondContact N-O 2.99Å; L119-V131 HydrophobicContact CB-CG1 4.4Å; L119-V131 HydrophobicContact CD1-CG1 4.46Å; L119-V131 HydrophobicContact CD2-CG1 4.23Å; L119-W132 CarbonylContact C-O 3.59Å; L119-W132 VanDerWaalsContact CA-O 3.26Å; L119-W132 WeakPolarHBondContact CA-O 3.05Å; L119-E133 HydrophobicContact CD2-CB 3.83Å; L119-E133 HydrophobicContact CD2-CG 4.09Å; L119-W158 HydrophobicContact CB-CH2 3.78Å; L119-W158 HydrophobicContact CB-CZ2 3.86Å; L119-W158 HydrophobicContact CD1-CH2 3.74Å; L119-W158 HydrophobicContact CD1-CZ3 4.19Å; L119-W158 HydrophobicContact CG-CH2 4.43Å; L119-W184 HydrophobicContact CD1-CH2 4.3Å; L119-W184 HydrophobicContact CD1-CZ2 3.52Å
120	L	98.6	Very high	98.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.5	173.5	178.2	145.5	0	0	0	108.7	A77 I87 L101 V111 A112 W113 T122 V131 W132	A77-L120 HydrophobicContact CB-CD1 3.72Å; I87-L120 HydrophobicContact CD1-CD1 3.73Å; L101-L120 HydrophobicContact CD1-CD2 3.8Å; V111-L120 HydrophobicContact CG2-CD1 3.69Å; V111-L120 HydrophobicContact CG2-CD2 3.68Å; V111-L120 HydrophobicContact CG2-CG 3.7Å; A112-L120 CarbonylContact O-C 3.59Å; A112-L120 WeakPolarHBondContact O-CA 3.44Å; W113-L120 HydrophobicContact CD2-CD1 3.91Å; W113-L120 HydrophobicContact CE3-CB 4.34Å; W113-L120 HydrophobicContact CE3-CD1 4.25Å; W113-L120 HydrophobicContact CH2-CD1 4.1Å; W113-L120 HydrophobicContact CZ2-CD1 3.72Å; W113-L120 HydrophobicContact CZ3-CD1 4.34Å; L120-T122 HydrophobicContact CD2-CG2 3.66Å; L120-V131 WeakPolarHBondContact O-CA 3.43Å; L120-W132 HydrophobicContact CB-CB 4.38Å; L120-W132 HydrophobicContact CD2-CB 4.39Å; L120-W132 HydrophobicContact CD2-CG 4.16Å; L120-W132 PolarHBondContact N-O 2.82Å; L120-W132 PolarHBondContact O-N 2.84Å
121	A	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.4	176.4	0	0	0	0	0	110.3	V111 A112 W130 V156 W158 L165	V111-A121 CarbonylContact C-O 3.6Å; V111-A121 VanDerWaalsContact CA-O 3.24Å; V111-A121 WeakPolarHBondContact CA-O 3.35Å; A112-A121 PolarHBondContact N-O 3.39Å; A112-A121 PolarHBondContact O-N 2.91Å; A121-W130 CarbonylContact C-O 3.59Å; A121-W130 VanDerWaalsContact CA-O 3.27Å; A121-W130 WeakPolarHBondContact CA-O 3.39Å; A121-V156 HydrophobicContact CB-CB 4.34Å; A121-V156 HydrophobicContact CB-CG2 4.18Å; A121-W158 HydrophobicContact CB-CZ2 3.9Å; A121-L165 HydrophobicContact CB-CD1 3.58Å; A121-L165 HydrophobicContact CB-CD2 3.72Å; A121-L165 HydrophobicContact CB-CG 4.32Å
122	T	99	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.3	170.1	58.2	0	0	0	0	110.3	T85 H104 V108 C110 V111 L120 V129 W130 W132	T85-T122 HydrophobicContact CG2-CG2 4.08Å; T85-T122 WeakPolarHBondContact OG1-CG2 3.37Å; H104-T122 PolarHBondContact NE2-OG1 3.04Å; V108-T122 HydrophobicContact CG1-CG2 4.49Å; C110-T122 WeakPolarHBondContact O-CA 3.4Å; V111-T122 HydrophobicContact CB-CG2 4.33Å; V111-T122 HydrophobicContact CG2-CG2 4.12Å; L120-T122 HydrophobicContact CD2-CG2 3.66Å; T122-V129 CarbonylContact O-C 3.53Å; T122-V129 VanDerWaalsContact O-CA 3.31Å; T122-V129 WeakPolarHBondContact O-CA 3.45Å; T122-W130 PolarHBondContact N-O 3.41Å; T122-W130 PolarHBondContact O-N 3.44Å; T122-W132 PolarHBondContact OG1-NE1 3.46Å
123	C	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.3	173.7	78.6	0	0	0	0	111.7	V108 K109 C110 S128 V129 V153 V156	V108-C123 WeakPolarHBondContact CG1-O 3.21Å; K109-C123 PolarHBondContact N-O 2.82Å; C110-C123 VanDerWaalsContact CB-SG 3.58Å; C110-C123 PolarHBondContact O-N 2.81Å; C110-C123 VanDerWaalsContact O-N 3.14Å; C123-S128 WeakPolarHBondContact CA-O 3.43Å; C123-V129 HydrophobicContact CB-CG2 3.91Å; C123-V153 HydrophobicContact CB-CB 3.77Å; C123-V153 HydrophobicContact CB-CG1 3.57Å; C123-V153 PolarHBondContact SG-O 3.24Å; C123-V153 VanDerWaalsContact SG-O 3.36Å; C123-V156 HydrophobicContact CB-CG1 3.67Å
124	S	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	165.7	-165.2	167.9	0	0	0	0	113.7	H104 N106 E107 D126 K127 S128 V153	H104-S124 VanDerWaalsContact CE1-CB 3.48Å; H104-S124 WeakPolarHBondContact CE1-CB 3.43Å; H104-S124 WeakPolarHBondContact ND1-CB 3.47Å; N106-S124 PolarHBondContact O-OG 2.91Å; E107-S124 WeakPolarHBondContact O-CA 3.36Å; E107-S124 PolarHBondContact O-OG 2.89Å; S124-D126 VanDerWaalsContact CB-CG 3.44Å; S124-D126 VanDerWaalsContact CB-OD1 3.25Å; S124-D126 WeakPolarHBondContact CB-OD1 3.47Å; S124-D126 VanDerWaalsContact CB-OD2 3.29Å; S124-D126 WeakPolarHBondContact CB-OD2 3.44Å; S124-D126 PolarHBondContact O-N 3.33Å; S124-D126 PolarHBondContact OG-N 3.01Å; S124-D126 VanDerWaalsContact OG-N 3.14Å; S124-D126 PolarHBondContact OG-OD1 3.43Å; S124-D126 PolarHBondContact OG-OD2 3.08Å; S124-K127 PolarHBondContact O-N 3.16Å; S124-S128 PolarHBondContact N-O 3.35Å; S124-V153 PolarHBondContact O-N 3.34Å; S124-V153 VanDerWaalsContact O-N 3.11Å
125	R	98.9	Very high	98.5	Very high	134 Å²	134	35.1 Å²	35.1	51%	0.506	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	169	-169.5	178.8	176.6	-110.5	-5.6	113	N106 E107 K127 D152	N106-R125 HydrophobicContact CB-CB 3.81Å; N106-R125 HydrophobicContact CB-CG 4.49Å; E107-R125 HydrophobicContact CB-CB 4.45Å; E107-R125 PolarHBondContact O-N 3.2Å; E107-R125 WeakPolarHBondContact OE2-CD 3.46Å; R125-K127 PolarHBondContact O-N 3.03Å; R125-K127 VanDerWaalsContact O-N 3.12Å; R125-D152 VanDerWaalsContact CA-OD1 3.3Å; R125-D152 WeakPolarHBondContact CA-OD1 3.5Å; R125-D152 HydrophobicContact CG-CB 4.27Å
126	D	98.8	Very high	98.2	Very high	26 Å²	26	42.3 Å²	42.3	14%	0.139	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.9	174.2	63.4	28.6	0	0	0	113.7	H104 E105 N106 S124 S128	H104-D126 VanDerWaalsContact CA-OD2 3.32Å; H104-D126 WeakPolarHBondContact CA-OD2 3.4Å; H104-D126 VanDerWaalsContact CB-OD2 3.3Å; H104-D126 WeakPolarHBondContact CB-OD2 3.39Å; H104-D126 IonicContact CE1-OD2 3.71Å; H104-D126 IonicContact CG-OD2 2.85Å; H104-D126 IonicContact ND1-OD1 3.74Å; H104-D126 IonicContact ND1-OD2 3.89Å; H104-D126 PolarHBondContact ND1-OD2 3.5Å; E105-D126 HydrophobicContact CB-CB 4.11Å; E105-D126 PolarHBondContact N-OD2 2.78Å; N106-D126 HydrophobicContact CB-CB 4.28Å; S124-D126 VanDerWaalsContact CB-CG 3.44Å; S124-D126 VanDerWaalsContact CB-OD1 3.25Å; S124-D126 WeakPolarHBondContact CB-OD1 3.47Å; S124-D126 VanDerWaalsContact CB-OD2 3.29Å; S124-D126 WeakPolarHBondContact CB-OD2 3.44Å; S124-D126 PolarHBondContact O-N 3.33Å; S124-D126 PolarHBondContact OG-N 3.01Å; S124-D126 VanDerWaalsContact OG-N 3.14Å; S124-D126 PolarHBondContact OG-OD1 3.43Å; S124-D126 PolarHBondContact OG-OD2 3.08Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 2.87Å; D126-S128 PolarHBondContact OD1-OG 2.76Å
127	K	98.9	Very high	98.1	Very high	88 Å²	88	45.9 Å²	45.9	38%	0.383	22%	0.223	S	C	.	.	S	Bend	trans	79.3	3.8	175.2	-42.1	166.9	175.5	-166.8	0	114.2	S124 R125 T150 V153	S124-K127 PolarHBondContact O-N 3.16Å; R125-K127 PolarHBondContact O-N 3.03Å; R125-K127 VanDerWaalsContact O-N 3.12Å; K127-T150 WeakPolarHBondContact CD-O 3.33Å; K127-T150 VanDerWaalsContact CE-O 3.3Å; K127-T150 WeakPolarHBondContact CE-O 3.27Å; K127-T150 PolarHBondContact NZ-O 2.81Å; K127-V153 WeakPolarHBondContact O-CG2 3.42Å
128	S	98.9	Very high	97.9	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	23%	0.226	C	C	.	.			trans	-99	156.5	-179.9	71	0	0	0	0	112.7	H104 C123 S124 D126 W130 L146 N147	H104-S128 PolarHBondContact CE1-OG 3.16Å; H104-S128 PolarHBondContact ND1-OG 3.4Å; C123-S128 WeakPolarHBondContact CA-O 3.43Å; S124-S128 PolarHBondContact N-O 3.35Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 2.87Å; D126-S128 PolarHBondContact OD1-OG 2.76Å; S128-W130 PolarHBondContact OG-NE1 2.95Å; S128-L146 WeakPolarHBondContact CA-O 3.33Å; S128-N147 WeakPolarHBondContact CB-OD1 3.35Å
129	V	98.9	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.7	164.1	177	0	0	0	0	107.2	T122 C123 L146 V153 V156 L165	T122-V129 CarbonylContact O-C 3.53Å; T122-V129 VanDerWaalsContact O-CA 3.31Å; T122-V129 WeakPolarHBondContact O-CA 3.45Å; C123-V129 HydrophobicContact CB-CG2 3.91Å; V129-L146 HydrophobicContact CB-CB 4.15Å; V129-L146 HydrophobicContact CB-CD1 4.37Å; V129-L146 HydrophobicContact CG1-CD1 4.21Å; V129-L146 PolarHBondContact N-O 3.18Å; V129-L146 WeakPolarHBondContact O-CB 3.35Å; V129-L146 PolarHBondContact O-N 2.79Å; V129-V153 HydrophobicContact CG2-CG1 3.9Å; V129-V153 HydrophobicContact CG2-CG2 4.35Å; V129-V156 HydrophobicContact CG1-CG1 3.86Å; V129-V156 HydrophobicContact CG2-CG1 4.14Å; V129-L165 HydrophobicContact CG1-CD2 3.75Å
130	W	98.9	Very high	97.8	Very high	39 Å²	39	50.1 Å²	50.1	15%	0.148	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.3	177.4	-68.6	36.7	0	0	0	108.6	G103 H104 A121 T122 S128 W132 C142 T144 V145	G103-W130 VanDerWaalsContact C-CZ2 3.5Å; G103-W130 WeakPolarHBondContact O-CH2 3.09Å; G103-W130 WeakPolarHBondContact O-CZ2 3.32Å; H104-W130 AromaticContact CE1-CD1 3.1Å; H104-W130 AromaticContact CE1-CG 3.65Å; H104-W130 AromaticContact CE1-NE1 3.42Å; H104-W130 PolarHBondContact CE1-NE1 3.46Å; H104-W130 AromaticContact ND1-CD1 3.65Å; H104-W130 AromaticContact ND1-NE1 3.45Å; H104-W130 PolarHBondContact ND1-NE1 2.88Å; H104-W130 AromaticContact NE2-CD1 3.79Å; H104-W130 AromaticContact NE2-CG 3.88Å; A121-W130 CarbonylContact C-O 3.59Å; A121-W130 VanDerWaalsContact CA-O 3.27Å; A121-W130 WeakPolarHBondContact CA-O 3.39Å; T122-W130 PolarHBondContact N-O 3.41Å; T122-W130 PolarHBondContact O-N 3.44Å; S128-W130 PolarHBondContact OG-NE1 2.95Å; W130-W132 HydrophobicContact CB-CZ2 4.32Å; W130-W132 HydrophobicContact CD2-CZ2 4.12Å; W130-W132 AromaticContact CE3-CH2 3.53Å; W130-W132 HydrophobicContact CE3-CH2 3.53Å; W130-W132 AromaticContact CE3-CZ2 3.29Å; W130-W132 HydrophobicContact CE3-CZ2 3.29Å; W130-W132 HydrophobicContact CE3-CZ3 4.46Å; W130-W132 AromaticContact CZ3-CH2 3.74Å; W130-W132 HydrophobicContact CZ3-CH2 3.74Å; W130-W132 AromaticContact CZ3-CZ2 3.95Å; W130-W132 HydrophobicContact CZ3-CZ2 3.95Å; W130-C142 HydrophobicContact CE3-CB 3.96Å; W130-C142 HydrophobicContact CZ3-CB 4.14Å; W130-T144 WeakPolarHBondContact CA-O 3.43Å; W130-V145 HydrophobicContact CD2-CG2 3.8Å; W130-V145 HydrophobicContact CE3-CG2 4.2Å; W130-V145 HydrophobicContact CG-CG1 4.49Å; W130-V145 HydrophobicContact CG-CG2 4.15Å; W130-V145 HydrophobicContact CH2-CG2 4.43Å; W130-V145 HydrophobicContact CZ2-CG2 4.07Å; W130-V145 HydrophobicContact CZ3-CG2 4.5Å
131	V	98.9	Very high	97.8	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.3	170.4	-175	0	0	0	0	107.9	L119 L120 V143 T144 L146 W158 L165 W184	L119-V131 HydrophobicContact CB-CG1 4.4Å; L119-V131 HydrophobicContact CD1-CG1 4.46Å; L119-V131 HydrophobicContact CD2-CG1 4.23Å; L120-V131 WeakPolarHBondContact O-CA 3.43Å; V131-V143 HydrophobicContact CB-CG2 4.02Å; V131-V143 HydrophobicContact CG1-CG2 3.84Å; V131-V143 WeakPolarHBondContact O-CG2 3.13Å; V131-V143 PolarHBondContact O-N 3.4Å; V131-T144 HydrophobicContact CB-CG2 3.55Å; V131-T144 HydrophobicContact CG2-CG2 3.56Å; V131-T144 PolarHBondContact N-O 3.26Å; V131-T144 VanDerWaalsContact N-O 3.09Å; V131-T144 PolarHBondContact O-N 2.87Å; V131-L146 HydrophobicContact CG2-CD1 4.13Å; V131-W158 HydrophobicContact CG1-CH2 4.13Å; V131-W158 HydrophobicContact CG1-CZ2 4.17Å; V131-L165 HydrophobicContact CG2-CD2 3.89Å; V131-W184 HydrophobicContact CG2-CD2 4.22Å; V131-W184 HydrophobicContact CG2-CE3 4.34Å
132	W	98.8	Very high	97.7	Very high	14 Å²	14	58.9 Å²	58.9	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.7	-178.4	-52.9	82.4	0	0	0	108.6	L101 E102 L119 L120 T122 W130 E141 C142	L101-W132 HydrophobicContact CB-CD2 4.48Å; L101-W132 HydrophobicContact CB-CE3 4.46Å; L101-W132 HydrophobicContact CB-CH2 4.05Å; L101-W132 HydrophobicContact CB-CZ2 4.03Å; L101-W132 HydrophobicContact CB-CZ3 4.25Å; L101-W132 HydrophobicContact CD1-CD2 3.93Å; L101-W132 HydrophobicContact CD1-CE3 4.35Å; L101-W132 HydrophobicContact CD1-CG 4.02Å; L101-W132 HydrophobicContact CD2-CE3 4.33Å; E102-W132 WeakPolarHBondContact O-CH2 3.47Å; L119-W132 CarbonylContact C-O 3.59Å; L119-W132 VanDerWaalsContact CA-O 3.26Å; L119-W132 WeakPolarHBondContact CA-O 3.05Å; L120-W132 HydrophobicContact CB-CB 4.38Å; L120-W132 HydrophobicContact CD2-CB 4.39Å; L120-W132 HydrophobicContact CD2-CG 4.16Å; L120-W132 PolarHBondContact N-O 2.82Å; L120-W132 PolarHBondContact O-N 2.84Å; T122-W132 PolarHBondContact OG1-NE1 3.46Å; W130-W132 HydrophobicContact CB-CZ2 4.32Å; W130-W132 HydrophobicContact CD2-CZ2 4.12Å; W130-W132 AromaticContact CE3-CH2 3.53Å; W130-W132 HydrophobicContact CE3-CH2 3.53Å; W130-W132 AromaticContact CE3-CZ2 3.29Å; W130-W132 HydrophobicContact CE3-CZ2 3.29Å; W130-W132 HydrophobicContact CE3-CZ3 4.46Å; W130-W132 AromaticContact CZ3-CH2 3.74Å; W130-W132 HydrophobicContact CZ3-CH2 3.74Å; W130-W132 AromaticContact CZ3-CZ2 3.95Å; W130-W132 HydrophobicContact CZ3-CZ2 3.95Å; W132-E141 CarbonylContact C-O 3.49Å; W132-E141 WeakPolarHBondContact CA-O 3.06Å; W132-C142 HydrophobicContact CD2-CB 4.37Å; W132-C142 HydrophobicContact CE3-CB 3.82Å; W132-C142 HydrophobicContact CH2-CB 4.13Å; W132-C142 HydrophobicContact CZ3-CB 3.69Å
133	E	98.4	Very high	97.7	Very high	100 Å²	100	61.5 Å²	61.5	47%	0.467	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.4	169.1	-175.1	170.8	-169.3	0	0	109.4	N118 L119 Y140 E141 V143	N118-E133 WeakPolarHBondContact O-CA 3.36Å; L119-E133 HydrophobicContact CD2-CB 3.83Å; L119-E133 HydrophobicContact CD2-CG 4.09Å; E133-Y140 VanDerWaalsContact O-CA 3.29Å; E133-Y140 WeakPolarHBondContact O-CA 3.3Å; E133-E141 PolarHBondContact N-O 3.42Å; E133-E141 PolarHBondContact O-N 3.4Å; E133-V143 HydrophobicContact CB-CG1 3.53Å
134	V	97.9	Very high	97.7	Very high	21 Å²	21	62.2 Å²	62.2	13%	0.127	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.8	171.3	60.5	0	0	0	0	110.2	W113 N118 E139 Y140	W113-V134 HydrophobicContact CZ3-CG1 4.47Å; N118-V134 WeakPolarHBondContact O-CG1 3.21Å; N118-V134 PolarHBondContact O-N 2.87Å; V134-E139 VanDerWaalsContact CA-O 3.29Å; V134-E139 WeakPolarHBondContact CA-O 3.24Å; V134-Y140 HydrophobicContact CB-CD1 3.93Å; V134-Y140 HydrophobicContact CB-CD2 4.46Å; V134-Y140 HydrophobicContact CB-CE1 3.68Å; V134-Y140 HydrophobicContact CB-CE2 4.21Å; V134-Y140 HydrophobicContact CB-CG 4.31Å; V134-Y140 HydrophobicContact CG1-CE1 4.31Å; V134-Y140 HydrophobicContact CG2-CD1 4.37Å; V134-Y140 HydrophobicContact CG2-CD2 4.06Å; V134-Y140 HydrophobicContact CG2-CE1 3.97Å; V134-Y140 HydrophobicContact CG2-CE2 3.6Å; V134-Y140 HydrophobicContact CG2-CG 4.4Å
135	D	95.6	Very high	97.6	Very high	78 Å²	78	65 Å²	65	42%	0.417	32%	0.316	S	S	.	.			trans	-93.4	-175.5	179.1	72.5	11.7	0	0	0	113.3	D137 E138 E139	D135-D137 PolarHBondContact O-N 3.06Å; D135-D137 WeakPolarHBondContact OD1-CA 3.34Å; D135-D137 PolarHBondContact OD1-N 2.74Å; D135-E138 PolarHBondContact O-N 3.12Å; D135-E138 PolarHBondContact OD1-N 3.3Å; D135-E138 VanDerWaalsContact OD1-N 3.11Å; D135-E139 PolarHBondContact N-O 3.16Å; D135-E139 VanDerWaalsContact N-O 3.11Å; D135-E139 PolarHBondContact OD1-N 2.81Å
136	E	92.5	Very high	97.6	Very high	195 Å²	195	59.3 Å²	59.3	91%	0.911	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.5	-179.3	-61.5	-174.9	175.6	0	0	113.6	E138	E136-E138 VanDerWaalsContact C-N 3.3Å
137	D	94.6	Very high	97.6	Very high	134 Å²	134	63.4 Å²	63.4	72%	0.717	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.1	179.1	-71.5	-44.7	0	0	0	112.2	D135 E139	D135-D137 PolarHBondContact O-N 3.06Å; D135-D137 WeakPolarHBondContact OD1-CA 3.34Å; D135-D137 PolarHBondContact OD1-N 2.74Å; D137-E139 HydrophobicContact CB-CG 4.38Å; D137-E139 PolarHBondContact O-N 3.31Å
138	E	94.3	Very high	97.5	Very high	52 Å²	52	61.3 Å²	61.3	24%	0.243	31%	0.313	C	S	.	.			trans	64.7	26.8	-178.4	-53.2	171.8	-174.7	0	0	113.3	Y75 K89 L98 D135 E136 Y140	Y75-E138 VanDerWaalsContact OH-CD 3.28Å; Y75-E138 PolarHBondContact OH-OE1 3.07Å; K89-E138 WeakPolarHBondContact CE-OE1 3.41Å; K89-E138 IonicContact NZ-OE1 3.36Å; K89-E138 PolarHBondContact NZ-OE1 3.28Å; K89-E138 IonicContact NZ-OE2 3.52Å; K89-E138 PolarHBondContact NZ-OE2 2.7Å; L98-E138 HydrophobicContact CD2-CB 4.12Å; D135-E138 PolarHBondContact O-N 3.12Å; D135-E138 PolarHBondContact OD1-N 3.3Å; D135-E138 VanDerWaalsContact OD1-N 3.11Å; E136-E138 VanDerWaalsContact C-N 3.3Å; E138-Y140 WeakPolarHBondContact O-CD2 3.18Å; E138-Y140 WeakPolarHBondContact O-CE2 3.28Å
139	E	96.9	Very high	97.5	Very high	132 Å²	132	61.6 Å²	61.6	62%	0.617	31%	0.314	S	S	*	.			trans	-86.3	141.4	171	-58.3	-166.5	173.4	0	0	110.1	V134 D135 D137	V134-E139 VanDerWaalsContact CA-O 3.29Å; V134-E139 WeakPolarHBondContact CA-O 3.24Å; D135-E139 PolarHBondContact N-O 3.16Å; D135-E139 VanDerWaalsContact N-O 3.11Å; D135-E139 PolarHBondContact OD1-N 2.81Å; D137-E139 HydrophobicContact CB-CG 4.38Å; D137-E139 PolarHBondContact O-N 3.31Å
140	Y	98.4	Very high	97.5	Very high	33 Å²	33	65.7 Å²	65.7	13%	0.129	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.8	-177	-70.1	-108.3	0	0	0	109.8	I87 L98 T99 L101 W113 E133 V134 E138	I87-Y140 HydrophobicContact CD1-CE1 4.29Å; I87-Y140 HydrophobicContact CG1-CE1 4.12Å; I87-Y140 HydrophobicContact CG1-CE2 4.31Å; I87-Y140 HydrophobicContact CG2-CE2 4.43Å; L98-Y140 HydrophobicContact CD2-CE2 4.49Å; T99-Y140 HydrophobicContact CG2-CD2 3.61Å; T99-Y140 HydrophobicContact CG2-CE2 3.87Å; T99-Y140 HydrophobicContact CG2-CG 4.35Å; L101-Y140 HydrophobicContact CD1-CD1 4.27Å; L101-Y140 VanDerWaalsContact CD2-CB 3.43Å; L101-Y140 HydrophobicContact CD2-CD1 4.08Å; L101-Y140 HydrophobicContact CD2-CD2 4.41Å; L101-Y140 HydrophobicContact CD2-CG 3.73Å; W113-Y140 HydrophobicContact CH2-CE1 4.12Å; W113-Y140 WeakPolarHBondContact CH2-OH 3.28Å; W113-Y140 HydrophobicContact CZ3-CE1 4.45Å; E133-Y140 VanDerWaalsContact O-CA 3.29Å; E133-Y140 WeakPolarHBondContact O-CA 3.3Å; V134-Y140 HydrophobicContact CB-CD1 3.93Å; V134-Y140 HydrophobicContact CB-CD2 4.46Å; V134-Y140 HydrophobicContact CB-CE1 3.68Å; V134-Y140 HydrophobicContact CB-CE2 4.21Å; V134-Y140 HydrophobicContact CB-CG 4.31Å; V134-Y140 HydrophobicContact CG1-CE1 4.31Å; V134-Y140 HydrophobicContact CG2-CD1 4.37Å; V134-Y140 HydrophobicContact CG2-CD2 4.06Å; V134-Y140 HydrophobicContact CG2-CE1 3.97Å; V134-Y140 HydrophobicContact CG2-CE2 3.6Å; V134-Y140 HydrophobicContact CG2-CG 4.4Å; E138-Y140 WeakPolarHBondContact O-CD2 3.18Å; E138-Y140 WeakPolarHBondContact O-CE2 3.28Å
141	E	98.2	Very high	97.5	Very high	145 Å²	145	67.8 Å²	67.8	68%	0.678	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.7	175.9	-174.7	168.3	-164.1	0	0	110.6	W132 E133 V143	W132-E141 CarbonylContact C-O 3.49Å; W132-E141 WeakPolarHBondContact CA-O 3.06Å; E133-E141 PolarHBondContact N-O 3.42Å; E133-E141 PolarHBondContact O-N 3.4Å; E141-V143 PolarHBondContact O-N 3.02Å
142	C	98.1	Very high	97.5	Very high	40 Å²	40	68.7 Å²	68.7	27%	0.27	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.7	171.5	175.4	0	0	0	0	109.2	W130 W132 T144	W130-C142 HydrophobicContact CE3-CB 3.96Å; W130-C142 HydrophobicContact CZ3-CB 4.14Å; W132-C142 HydrophobicContact CD2-CB 4.37Å; W132-C142 HydrophobicContact CE3-CB 3.82Å; W132-C142 HydrophobicContact CH2-CB 4.13Å; W132-C142 HydrophobicContact CZ3-CB 3.69Å; C142-T144 PolarHBondContact SG-O 2.87Å
143	V	97.8	Very high	97.5	Very high	55 Å²	55	68 Å²	68	33%	0.333	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-24.3	-179.5	-64.2	0	0	0	0	113	V131 E133 E141	V131-V143 HydrophobicContact CB-CG2 4.02Å; V131-V143 HydrophobicContact CG1-CG2 3.84Å; V131-V143 WeakPolarHBondContact O-CG2 3.13Å; V131-V143 PolarHBondContact O-N 3.4Å; E133-V143 HydrophobicContact CB-CG1 3.53Å; E141-V143 PolarHBondContact O-N 3.02Å
144	T	98.3	Very high	97.5	Very high	16 Å²	16	64.5 Å²	64.5	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.7	173.8	-165.8	0	0	0	0	113.8	W130 V131 C142 L146 W184	W130-T144 WeakPolarHBondContact CA-O 3.43Å; V131-T144 HydrophobicContact CB-CG2 3.55Å; V131-T144 HydrophobicContact CG2-CG2 3.56Å; V131-T144 PolarHBondContact N-O 3.26Å; V131-T144 VanDerWaalsContact N-O 3.09Å; V131-T144 PolarHBondContact O-N 2.87Å; C142-T144 PolarHBondContact SG-O 2.87Å; T144-L146 HydrophobicContact CG2-CD1 4.25Å; T144-L146 HydrophobicContact CG2-CD2 4.4Å; T144-L146 HydrophobicContact CG2-CG 4.06Å; T144-W184 HydrophobicContact CG2-CB 3.35Å; T144-W184 HydrophobicContact CG2-CD2 4.42Å; T144-W184 HydrophobicContact CG2-CG 3.54Å
145	V	98.5	Very high	97.6	Very high	59 Å²	59	64.3 Å²	64.3	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	110	172.6	-177.6	0	0	0	0	109.8	W130	W130-V145 HydrophobicContact CD2-CG2 3.8Å; W130-V145 HydrophobicContact CE3-CG2 4.2Å; W130-V145 HydrophobicContact CG-CG1 4.49Å; W130-V145 HydrophobicContact CG-CG2 4.15Å; W130-V145 HydrophobicContact CH2-CG2 4.43Å; W130-V145 HydrophobicContact CZ2-CG2 4.07Å; W130-V145 HydrophobicContact CZ3-CG2 4.5Å
146	L	98.5	Very high	97.8	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.2	-173.5	-59.2	162.2	0	0	0	110.3	S128 V129 V131 T144 L165 Y177 W184	S128-L146 WeakPolarHBondContact CA-O 3.33Å; V129-L146 HydrophobicContact CB-CB 4.15Å; V129-L146 HydrophobicContact CB-CD1 4.37Å; V129-L146 HydrophobicContact CG1-CD1 4.21Å; V129-L146 PolarHBondContact N-O 3.18Å; V129-L146 WeakPolarHBondContact O-CB 3.35Å; V129-L146 PolarHBondContact O-N 2.79Å; V131-L146 HydrophobicContact CG2-CD1 4.13Å; T144-L146 HydrophobicContact CG2-CD1 4.25Å; T144-L146 HydrophobicContact CG2-CD2 4.4Å; T144-L146 HydrophobicContact CG2-CG 4.06Å; L146-L165 HydrophobicContact CD1-CD2 4.49Å; L146-Y177 HydrophobicContact CB-CD1 4.35Å; L146-Y177 HydrophobicContact CB-CE1 3.95Å; L146-Y177 HydrophobicContact CD1-CD1 3.56Å; L146-Y177 HydrophobicContact CD1-CD2 4.15Å; L146-Y177 HydrophobicContact CD1-CE1 3.89Å; L146-Y177 HydrophobicContact CD1-CE2 4.44Å; L146-Y177 HydrophobicContact CD1-CG 3.69Å; L146-Y177 HydrophobicContact CD2-CD1 3.91Å; L146-Y177 HydrophobicContact CD2-CE1 4.28Å; L146-Y177 HydrophobicContact CG-CD1 4.15Å; L146-Y177 HydrophobicContact CG-CE1 4.26Å; L146-W184 HydrophobicContact CD2-CB 4.08Å; L146-W184 VanDerWaalsContact CD2-O 3.22Å; L146-W184 WeakPolarHBondContact CD2-O 3.15Å
147	N	97.9	Very high	98.1	Very high	112 Å²	112	52 Å²	52	60%	0.599	28%	0.276	S	S	*	.			trans	-111.3	37.5	-178.2	-66.7	-71.4	0	0	0	112.5	S128	S128-N147 WeakPolarHBondContact CB-OD1 3.35Å
148	S	97.8	Very high	98.3	Very high	45 Å²	45	46.6 Å²	46.6	32%	0.315	25%	0.246	S	C	.	.			trans	-73.6	-26.9	-179.9	68.1	0	0	0	0	112.9	C175 Y177	S148-C175 PolarHBondContact OG-SG 3.48Å; S148-Y177 WeakPolarHBondContact OG-CE1 3.18Å; S148-Y177 PolarHBondContact OG-OH 2.66Å
149	H	98.8	Very high	98.5	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.046	24%	0.235	C	C	.	.			trans	-83.5	148.6	-180	-78.6	-59.4	0	0	0	112.5	V153 S167 S169 D171 C175	H149-V153 HydrophobicContact CB-CG2 3.84Å; H149-S167 PolarHBondContact CD2-OG 3.22Å; H149-S167 VanDerWaalsContact CD2-OG 3.28Å; H149-S167 PolarHBondContact NE2-OG 2.62Å; H149-S169 WeakPolarHBondContact CE1-CB 3.31Å; H149-S169 WeakPolarHBondContact ND1-CB 3.41Å; H149-D171 WeakPolarHBondContact CA-OD2 3.25Å; H149-D171 WeakPolarHBondContact CB-OD2 2.96Å; H149-D171 IonicContact CE1-OD1 3.21Å; H149-D171 IonicContact CG-OD2 3.15Å; H149-D171 IonicContact ND1-OD1 3.53Å; H149-D171 PolarHBondContact ND1-OD1 2.69Å; H149-D171 IonicContact ND1-OD2 2.67Å; H149-D171 PolarHBondContact ND1-OD2 2.93Å; H149-C175 VanDerWaalsContact CE1-SG 3.54Å
150	T	98.8	Very high	98.5	Very high	87 Å²	87	40.2 Å²	40.2	53%	0.534	22%	0.22	S	C	.	.	S	Bend	trans	-102.7	-8.5	-177.7	63.1	0	0	0	0	113.7	K127 D171	K127-T150 WeakPolarHBondContact CD-O 3.33Å; K127-T150 VanDerWaalsContact CE-O 3.3Å; K127-T150 WeakPolarHBondContact CE-O 3.27Å; K127-T150 PolarHBondContact NZ-O 2.81Å; T150-D171 PolarHBondContact N-OD2 2.75Å; T150-D171 WeakPolarHBondContact OG1-CB 3.2Å
151	Q	98.9	Very high	98.5	Very high	83 Å²	83	45.2 Å²	45.2	39%	0.388	24%	0.242	S	C	.	.	S	Bend	trans	-142.7	175.1	-178.1	-60.7	-66.7	-16.4	0	0	111	V153 S169 Y170 D171	Q151-V153 PolarHBondContact O-N 2.79Å; Q151-S169 PolarHBondContact O-OG 2.89Å; Q151-Y170 HydrophobicContact CB-CD1 3.9Å; Q151-Y170 HydrophobicContact CB-CG 4.35Å; Q151-Y170 HydrophobicContact CG-CD1 4.11Å; Q151-D171 HydrophobicContact CB-CB 3.95Å; Q151-D171 HydrophobicContact CG-CB 3.94Å
152	D	98.8	Very high	98.4	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.102	23%	0.229	C	C	.	.			trans	-45.5	118.8	179.5	177.2	8.6	0	0	0	113.3	K109 R125 K154 S169 Y170	K109-D152 IonicContact NZ-OD1 3.68Å; K109-D152 PolarHBondContact NZ-OD1 2.99Å; K109-D152 IonicContact NZ-OD2 2.73Å; K109-D152 PolarHBondContact NZ-OD2 2.64Å; R125-D152 VanDerWaalsContact CA-OD1 3.3Å; R125-D152 WeakPolarHBondContact CA-OD1 3.5Å; R125-D152 HydrophobicContact CG-CB 4.27Å; D152-K154 WeakPolarHBondContact OD2-CE 3.3Å; D152-K154 IonicContact OD2-NZ 3.48Å; D152-K154 PolarHBondContact OD2-NZ 3.09Å; D152-S169 PolarHBondContact O-OG 3.35Å; D152-Y170 VanDerWaalsContact O-CB 3.24Å; D152-Y170 WeakPolarHBondContact O-CB 3.25Å; D152-Y170 PolarHBondContact O-N 2.75Å
153	V	98.9	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	122	-179.9	-166.4	0	0	0	0	109.7	K109 C123 S124 K127 V129 H149 Q151 A168	K109-V153 VanDerWaalsContact CB-O 3.29Å; K109-V153 WeakPolarHBondContact CB-O 3.16Å; K109-V153 VanDerWaalsContact CG-O 3.3Å; K109-V153 WeakPolarHBondContact CG-O 3.47Å; C123-V153 HydrophobicContact CB-CB 3.77Å; C123-V153 HydrophobicContact CB-CG1 3.57Å; C123-V153 PolarHBondContact SG-O 3.24Å; C123-V153 VanDerWaalsContact SG-O 3.36Å; S124-V153 PolarHBondContact O-N 3.34Å; S124-V153 VanDerWaalsContact O-N 3.11Å; K127-V153 WeakPolarHBondContact O-CG2 3.42Å; V129-V153 HydrophobicContact CG2-CG1 3.9Å; V129-V153 HydrophobicContact CG2-CG2 4.35Å; H149-V153 HydrophobicContact CB-CG2 3.84Å; Q151-V153 PolarHBondContact O-N 2.79Å; V153-A168 WeakPolarHBondContact CG1-O 3.49Å
154	K	98.9	Very high	98.4	Very high	25 Å²	25	41.1 Å²	41.1	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-34.6	-169.7	-58.7	-58.9	179.6	172.7	0	113.8	D152 A168 T196 V197 W198	D152-K154 WeakPolarHBondContact OD2-CE 3.3Å; D152-K154 IonicContact OD2-NZ 3.48Å; D152-K154 PolarHBondContact OD2-NZ 3.09Å; K154-A168 PolarHBondContact N-O 3.01Å; K154-T196 HydrophobicContact CD-CG2 4.44Å; K154-T196 HydrophobicContact CG-CG2 3.94Å; K154-V197 WeakPolarHBondContact CB-O 3.34Å; K154-V197 WeakPolarHBondContact CG-O 3.3Å; K154-W198 HydrophobicContact CD-CE3 4.09Å; K154-W198 HydrophobicContact CD-CZ3 3.9Å; K154-W198 HydrophobicContact CG-CE3 4.24Å
155	H	98.9	Very high	98.4	Very high	17 Å²	17	40.3 Å²	40.3	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.1	-173.9	-155.3	47.5	0	0	0	112	K66 C110 S167 A168 S199	K66-H155 PolarHBondContact NZ-CE1 3.02Å; K66-H155 PolarHBondContact NZ-ND1 2.73Å; C110-H155 PolarHBondContact SG-CE1 2.84Å; C110-H155 PolarHBondContact SG-ND1 2.91Å; H155-S167 CarbonylContact O-C 3.51Å; H155-S167 WeakPolarHBondContact O-CA 3.26Å; H155-A168 HydrophobicContact CB-CB 4.18Å; H155-A168 PolarHBondContact N-O 2.87Å; H155-A168 PolarHBondContact O-N 2.95Å; H155-S199 PolarHBondContact CD2-OG 3.24Å
156	V	99	Very high	98.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.3	165.6	-76.3	0	0	0	0	108.8	C110 A112 A121 C123 V129 L165 A166	C110-V156 HydrophobicContact CB-CG2 3.9Å; C110-V156 PolarHBondContact SG-N 3.25Å; C110-V156 PolarHBondContact SG-O 3.39Å; A112-V156 HydrophobicContact CB-CG2 4.11Å; A112-V156 WeakPolarHBondContact CB-O 3.47Å; A121-V156 HydrophobicContact CB-CB 4.34Å; A121-V156 HydrophobicContact CB-CG2 4.18Å; C123-V156 HydrophobicContact CB-CG1 3.67Å; V129-V156 HydrophobicContact CG1-CG1 3.86Å; V129-V156 HydrophobicContact CG2-CG1 4.14Å; V156-L165 HydrophobicContact CB-CD1 4.06Å; V156-L165 HydrophobicContact CG1-CD1 4.39Å; V156-A166 CarbonylContact C-O 3.54Å; V156-A166 VanDerWaalsContact CA-O 3.24Å; V156-A166 WeakPolarHBondContact CA-O 3.34Å
157	A	98.9	Very high	98.5	Very high	14 Å²	14	36.9 Å²	36.9	12%	0.116	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.3	168.8	0	0	0	0	0	110.7	A166 L200	A157-A166 PolarHBondContact N-O 3.04Å; A157-A166 PolarHBondContact O-N 3.15Å; A157-L200 HydrophobicContact CB-CD1 3.35Å
158	W	98.9	Very high	98.5	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.076	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.6	172.8	-68.6	91	0	0	0	110.9	A112 W113 A114 L119 A121 V131 E163 L165 W184 F202	A112-W158 PolarHBondContact O-NE1 3.13Å; W113-W158 WeakPolarHBondContact O-CB 3.31Å; A114-W158 VanDerWaalsContact CA-CG 3.47Å; A114-W158 HydrophobicContact CB-CD2 3.76Å; A114-W158 HydrophobicContact CB-CE3 3.83Å; A114-W158 HydrophobicContact CB-CG 4.22Å; A114-W158 HydrophobicContact CB-CH2 4.29Å; A114-W158 HydrophobicContact CB-CZ2 4.23Å; A114-W158 HydrophobicContact CB-CZ3 4.07Å; A114-W158 VanDerWaalsContact N-CD1 3.34Å; L119-W158 HydrophobicContact CB-CH2 3.78Å; L119-W158 HydrophobicContact CB-CZ2 3.86Å; L119-W158 HydrophobicContact CD1-CH2 3.74Å; L119-W158 HydrophobicContact CD1-CZ3 4.19Å; L119-W158 HydrophobicContact CG-CH2 4.43Å; A121-W158 HydrophobicContact CB-CZ2 3.9Å; V131-W158 HydrophobicContact CG1-CH2 4.13Å; V131-W158 HydrophobicContact CG1-CZ2 4.17Å; W158-E163 HydrophobicContact CZ3-CB 4.32Å; W158-E163 WeakPolarHBondContact CZ3-OE2 3.18Å; W158-L165 HydrophobicContact CD2-CB 4.44Å; W158-L165 HydrophobicContact CD2-CD1 4.03Å; W158-L165 HydrophobicContact CE3-CB 4.25Å; W158-L165 HydrophobicContact CG-CD1 4.24Å; W158-L165 HydrophobicContact CH2-CB 4.38Å; W158-L165 HydrophobicContact CZ2-CD1 4.31Å; W158-L165 HydrophobicContact CZ2-CD2 4.44Å; W158-L165 HydrophobicContact CZ3-CB 4.24Å; W158-W184 AromaticContact CH2-CH2 3.48Å; W158-W184 HydrophobicContact CH2-CH2 3.48Å; W158-W184 VanDerWaalsContact CH2-CH2 3.48Å; W158-W184 AromaticContact CH2-CZ2 3.89Å; W158-W184 HydrophobicContact CH2-CZ2 3.89Å; W158-W184 HydrophobicContact CH2-CZ3 4.07Å; W158-W184 AromaticContact CZ3-CH2 3.4Å; W158-W184 HydrophobicContact CZ3-CH2 3.4Å; W158-W184 VanDerWaalsContact CZ3-CH2 3.4Å; W158-W184 HydrophobicContact CZ3-CZ2 4.13Å; W158-W184 HydrophobicContact CZ3-CZ3 4.07Å; W158-F202 WeakPolarHBondContact O-CD2 3.18Å
159	H	98.8	Very high	98.6	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.014	15%	0.146	C	C	.	.			trans	-61	143.2	169.4	178.8	-78.5	0	0	0	110.2	K161 K162 L164 F202 G206	H159-K161 PolarHBondContact ND1-N 3.34Å; H159-K161 VanDerWaalsContact ND1-N 3.11Å; H159-K161 PolarHBondContact O-N 3.08Å; H159-K162 HydrophobicContact CB-CB 4.31Å; H159-K162 VanDerWaalsContact CE1-CG 3.47Å; H159-K162 WeakPolarHBondContact CE1-CG 3.23Å; H159-K162 WeakPolarHBondContact ND1-CB 3.17Å; H159-K162 PolarHBondContact ND1-N 2.89Å; H159-L164 HydrophobicContact CB-CB 3.74Å; H159-L164 HydrophobicContact CB-CD2 4.32Å; H159-L164 WeakPolarHBondContact CB-O 3.35Å; H159-L164 PolarHBondContact N-O 3.45Å; H159-F202 HydrophobicContact CB-CD2 4.47Å; H159-F202 HydrophobicContact CB-CE1 4.3Å; H159-F202 HydrophobicContact CB-CE2 4.17Å; H159-F202 HydrophobicContact CB-CZ 4.07Å; H159-F202 AromaticContact CD2-CD1 3.94Å; H159-F202 AromaticContact CD2-CE1 3.85Å; H159-G206 PolarHBondContact CD2-O 2.78Å; H159-G206 VanDerWaalsContact NE2-C 3.34Å; H159-G206 WeakPolarHBondContact NE2-CA 3.24Å; H159-G206 PolarHBondContact NE2-O 2.9Å
160	P	97.9	Very high	98.6	Very high	47 Å²	47	34.6 Å²	34.6	31%	0.305	17%	0.166	S	C	.	.	S	Bend	trans	-67.5	-13.7	-170.3	25.4	-36.8	0	0	0	115	F202	P160-F202 HydrophobicContact CG-CB 4.26Å
161	K	97.3	Very high	98.6	Very high	138 Å²	138	31.3 Å²	31.3	60%	0.6	15%	0.145	S	C	*	.	S	Bend	trans	-139.2	-7.3	-172.8	-54.8	173	-172.4	154.6	0	115.6	H159 A204 A205	H159-K161 PolarHBondContact ND1-N 3.34Å; H159-K161 VanDerWaalsContact ND1-N 3.11Å; H159-K161 PolarHBondContact O-N 3.08Å; K161-A204 VanDerWaalsContact CE-O 3.3Å; K161-A204 WeakPolarHBondContact CE-O 3.47Å; K161-A204 PolarHBondContact NZ-O 3.5Å; K161-A205 PolarHBondContact NZ-O 3.19Å
162	K	97.1	Very high	98.6	Very high	93 Å²	93	29.6 Å²	29.6	40%	0.404	14%	0.138	S	C	.	.	S	Bend	trans	-132.2	149.9	-170.8	-62.1	172.2	-172.4	168.1	0	107.3	P115 H159 L164 E223	P115-K162 WeakPolarHBondContact CG-O 3.46Å; H159-K162 HydrophobicContact CB-CB 4.31Å; H159-K162 VanDerWaalsContact CE1-CG 3.47Å; H159-K162 WeakPolarHBondContact CE1-CG 3.23Å; H159-K162 WeakPolarHBondContact ND1-CB 3.17Å; H159-K162 PolarHBondContact ND1-N 2.89Å; K162-L164 HydrophobicContact CB-CB 4.13Å; K162-L164 PolarHBondContact O-N 3.27Å; K162-E223 IonicContact NZ-OE1 3.86Å; K162-E223 IonicContact NZ-OE2 2.67Å; K162-E223 PolarHBondContact NZ-OE2 3.36Å; K162-E223 VanDerWaalsContact NZ-OE2 3.15Å
163	E	97.5	Very high	98.6	Very high	56 Å²	56	30.1 Å²	30.1	26%	0.262	14%	0.142	S	C	.	.	S	Bend	trans	-74.3	68.9	166.4	-59.7	-55.4	149.7	0	0	109.4	A114 S116 W158 W184	A114-E163 WeakPolarHBondContact CB-OE2 3.42Å; S116-E163 WeakPolarHBondContact CB-OE1 3.38Å; S116-E163 PolarHBondContact N-OE1 2.8Å; S116-E163 PolarHBondContact OG-OE1 3.37Å; W158-E163 HydrophobicContact CZ3-CB 4.32Å; W158-E163 WeakPolarHBondContact CZ3-OE2 3.18Å; E163-W184 HydrophobicContact CB-CH2 4.38Å
164	L	97.8	Very high	98.6	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.2	179.7	-174.9	81.5	0	0	0	107.7	H159 K162 I176 Y177 K178 L233 W235	H159-L164 HydrophobicContact CB-CB 3.74Å; H159-L164 HydrophobicContact CB-CD2 4.32Å; H159-L164 WeakPolarHBondContact CB-O 3.35Å; H159-L164 PolarHBondContact N-O 3.45Å; K162-L164 HydrophobicContact CB-CB 4.13Å; K162-L164 PolarHBondContact O-N 3.27Å; L164-I176 HydrophobicContact CD1-CG2 3.65Å; L164-I176 HydrophobicContact CD2-CG2 4.07Å; L164-I176 HydrophobicContact CG-CG2 3.88Å; L164-Y177 WeakPolarHBondContact CD1-O 3.26Å; L164-K178 HydrophobicContact CD1-CB 3.92Å; L164-K178 HydrophobicContact CD1-CD 4.45Å; L164-K178 HydrophobicContact CD1-CG 4.17Å; L164-L233 HydrophobicContact CD1-CD1 3.35Å; L164-L233 HydrophobicContact CD2-CD1 4.19Å; L164-L233 HydrophobicContact CG-CD1 4.4Å; L164-W235 HydrophobicContact CD2-CZ2 4.33Å
165	L	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.7	-174.9	178.7	62	0	0	0	110	A121 V129 V131 L146 V156 W158 I176 Y177 W184	A121-L165 HydrophobicContact CB-CD1 3.58Å; A121-L165 HydrophobicContact CB-CD2 3.72Å; A121-L165 HydrophobicContact CB-CG 4.32Å; V129-L165 HydrophobicContact CG1-CD2 3.75Å; V131-L165 HydrophobicContact CG2-CD2 3.89Å; L146-L165 HydrophobicContact CD1-CD2 4.49Å; V156-L165 HydrophobicContact CB-CD1 4.06Å; V156-L165 HydrophobicContact CG1-CD1 4.39Å; W158-L165 HydrophobicContact CD2-CB 4.44Å; W158-L165 HydrophobicContact CD2-CD1 4.03Å; W158-L165 HydrophobicContact CE3-CB 4.25Å; W158-L165 HydrophobicContact CG-CD1 4.24Å; W158-L165 HydrophobicContact CH2-CB 4.38Å; W158-L165 HydrophobicContact CZ2-CD1 4.31Å; W158-L165 HydrophobicContact CZ2-CD2 4.44Å; W158-L165 HydrophobicContact CZ3-CB 4.24Å; L165-I176 CarbonylContact O-C 3.56Å; L165-I176 WeakPolarHBondContact O-CA 3.48Å; L165-Y177 HydrophobicContact CB-CD2 4.12Å; L165-Y177 HydrophobicContact CD2-CD2 4.07Å; L165-Y177 HydrophobicContact CG-CD2 3.94Å; L165-Y177 PolarHBondContact N-O 2.91Å; L165-Y177 WeakPolarHBondContact O-CD2 3.18Å; L165-Y177 PolarHBondContact O-N 2.78Å; L165-W184 HydrophobicContact CB-CZ3 4.04Å
166	A	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141	169.7	0	0	0	0	0	110.4	V156 A157 C175 I176 L200 F202 M209	V156-A166 CarbonylContact C-O 3.54Å; V156-A166 VanDerWaalsContact CA-O 3.24Å; V156-A166 WeakPolarHBondContact CA-O 3.34Å; A157-A166 PolarHBondContact N-O 3.04Å; A157-A166 PolarHBondContact O-N 3.15Å; A166-C175 CarbonylContact C-O 3.53Å; A166-C175 VanDerWaalsContact CA-O 3.31Å; A166-C175 WeakPolarHBondContact CA-O 2.84Å; A166-I176 HydrophobicContact CB-CD1 3.63Å; A166-L200 HydrophobicContact CB-CD1 3.89Å; A166-L200 HydrophobicContact CB-CD2 3.79Å; A166-F202 HydrophobicContact CB-CE2 4.03Å; A166-F202 HydrophobicContact CB-CZ 3.98Å; A166-M209 HydrophobicContact CB-SD 3.9Å
167	S	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.5	172.5	63.8	0	0	0	0	112.6	H149 H155 I174 C175 Y177	H149-S167 PolarHBondContact CD2-OG 3.22Å; H149-S167 VanDerWaalsContact CD2-OG 3.28Å; H149-S167 PolarHBondContact NE2-OG 2.62Å; H155-S167 CarbonylContact O-C 3.51Å; H155-S167 WeakPolarHBondContact O-CA 3.26Å; S167-I174 CarbonylContact O-C 3.56Å; S167-I174 WeakPolarHBondContact O-CA 3.29Å; S167-I174 WeakPolarHBondContact O-CG2 3.3Å; S167-C175 PolarHBondContact N-O 2.89Å; S167-C175 PolarHBondContact O-N 3.32Å; S167-Y177 WeakPolarHBondContact OG-CE2 3.5Å; S167-Y177 PolarHBondContact OG-OH 3.44Å
168	A	98.9	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.7	176	0	0	0	0	0	110.8	V153 K154 H155 I174 V197 L200	V153-A168 WeakPolarHBondContact CG1-O 3.49Å; K154-A168 PolarHBondContact N-O 3.01Å; H155-A168 HydrophobicContact CB-CB 4.18Å; H155-A168 PolarHBondContact N-O 2.87Å; H155-A168 PolarHBondContact O-N 2.95Å; A168-I174 HydrophobicContact CB-CG1 4.46Å; A168-V197 HydrophobicContact CB-CB 3.84Å; A168-V197 HydrophobicContact CB-CG1 3.56Å; A168-L200 HydrophobicContact CB-CD2 3.92Å; A168-L200 HydrophobicContact CB-CG 4.31Å
169	S	98.9	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.9	-171.4	176.6	0	0	0	0	114.8	H149 Q151 D152 D171 N172 N173 V197	H149-S169 WeakPolarHBondContact CE1-CB 3.31Å; H149-S169 WeakPolarHBondContact ND1-CB 3.41Å; Q151-S169 PolarHBondContact O-OG 2.89Å; D152-S169 PolarHBondContact O-OG 3.35Å; S169-D171 VanDerWaalsContact CB-OD1 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 2.81Å; S169-D171 PolarHBondContact OG-N 2.63Å; S169-D171 VanDerWaalsContact OG-N 3.14Å; S169-D171 PolarHBondContact OG-OD1 2.89Å; S169-D171 PolarHBondContact OG-OD2 3.5Å; S169-N172 PolarHBondContact O-N 3.09Å; S169-N173 PolarHBondContact N-O 2.93Å; S169-V197 PolarHBondContact O-N 2.79Å
170	Y	98.9	Very high	97.7	Very high	118 Å²	118	37.9 Å²	37.9	46%	0.463	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.7	166.8	-167	-92.2	0	0	0	113.4	Q151 D152 N172 T196	Q151-Y170 HydrophobicContact CB-CD1 3.9Å; Q151-Y170 HydrophobicContact CB-CG 4.35Å; Q151-Y170 HydrophobicContact CG-CD1 4.11Å; D152-Y170 VanDerWaalsContact O-CB 3.24Å; D152-Y170 WeakPolarHBondContact O-CB 3.25Å; D152-Y170 PolarHBondContact O-N 2.75Å; Y170-N172 PolarHBondContact O-N 2.82Å; Y170-N172 PolarHBondContact O-OD1 3.34Å; Y170-T196 HydrophobicContact CD2-CG2 3.98Å; Y170-T196 WeakPolarHBondContact CD2-OG1 3.3Å; Y170-T196 VanDerWaalsContact CE2-OG1 3.25Å; Y170-T196 WeakPolarHBondContact CE2-OG1 3.5Å
171	D	98.9	Very high	97.3	Very high	19 Å²	19	43.4 Å²	43.4	10%	0.102	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	8.9	173	64.6	29.7	0	0	0	114	H149 T150 Q151 S169 N173	H149-D171 WeakPolarHBondContact CA-OD2 3.25Å; H149-D171 WeakPolarHBondContact CB-OD2 2.96Å; H149-D171 IonicContact CE1-OD1 3.21Å; H149-D171 IonicContact CG-OD2 3.15Å; H149-D171 IonicContact ND1-OD1 3.53Å; H149-D171 PolarHBondContact ND1-OD1 2.69Å; H149-D171 IonicContact ND1-OD2 2.67Å; H149-D171 PolarHBondContact ND1-OD2 2.93Å; T150-D171 PolarHBondContact N-OD2 2.75Å; T150-D171 WeakPolarHBondContact OG1-CB 3.2Å; Q151-D171 HydrophobicContact CB-CB 3.95Å; Q151-D171 HydrophobicContact CG-CB 3.94Å; S169-D171 VanDerWaalsContact CB-OD1 3.31Å; S169-D171 WeakPolarHBondContact CB-OD1 3.45Å; S169-D171 PolarHBondContact O-N 2.81Å; S169-D171 PolarHBondContact OG-N 2.63Å; S169-D171 VanDerWaalsContact OG-N 3.14Å; S169-D171 PolarHBondContact OG-OD1 2.89Å; S169-D171 PolarHBondContact OG-OD2 3.5Å; D171-N173 PolarHBondContact O-N 2.98Å; D171-N173 PolarHBondContact O-ND2 3.03Å; D171-N173 VanDerWaalsContact O-ND2 3.15Å; D171-N173 VanDerWaalsContact OD1-CB 3.32Å; D171-N173 WeakPolarHBondContact OD1-CB 3.45Å; D171-N173 PolarHBondContact OD1-N 3.46Å; D171-N173 PolarHBondContact OD1-ND2 3.15Å
172	N	98.9	Very high	96.9	Very high	46 Å²	46	44.3 Å²	44.3	25%	0.246	21%	0.214	C	C	.	.	S	Bend	trans	72.1	0.9	179.1	-46.3	-18.3	0	0	0	114.6	S169 Y170 T194 S195 T196 V197	S169-N172 PolarHBondContact O-N 3.09Å; Y170-N172 PolarHBondContact O-N 2.82Å; Y170-N172 PolarHBondContact O-OD1 3.34Å; N172-T194 PolarHBondContact ND2-O 3.29Å; N172-S195 VanDerWaalsContact CG-C 3.41Å; N172-S195 WeakPolarHBondContact OD1-CA 3.43Å; N172-S195 PolarHBondContact OD1-O 3.18Å; N172-T196 PolarHBondContact OD1-N 3.28Å; N172-T196 VanDerWaalsContact OD1-N 3.1Å; N172-V197 WeakPolarHBondContact O-CG2 3.46Å
173	N	98.8	Very high	96.7	Very high	31 Å²	31	43.9 Å²	43.9	17%	0.166	22%	0.216	C	C	.	.			trans	-102.8	161.2	-177.9	-52.8	-56.5	0	0	0	111.8	S169 D171 T189 Q191	S169-N173 PolarHBondContact N-O 2.93Å; D171-N173 PolarHBondContact O-N 2.98Å; D171-N173 PolarHBondContact O-ND2 3.03Å; D171-N173 VanDerWaalsContact O-ND2 3.15Å; D171-N173 VanDerWaalsContact OD1-CB 3.32Å; D171-N173 WeakPolarHBondContact OD1-CB 3.45Å; D171-N173 PolarHBondContact OD1-N 3.46Å; D171-N173 PolarHBondContact OD1-ND2 3.15Å; N173-T189 HydrophobicContact CB-CG2 3.83Å; N173-Q191 WeakPolarHBondContact OD1-CG 3.43Å
174	I	98.9	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.9	164.7	-60	159.7	0	0	0	107.6	S167 A168 I176 T189 L190 V197 L200 M209 W221	S167-I174 CarbonylContact O-C 3.56Å; S167-I174 WeakPolarHBondContact O-CA 3.29Å; S167-I174 WeakPolarHBondContact O-CG2 3.3Å; A168-I174 HydrophobicContact CB-CG1 4.46Å; I174-I176 HydrophobicContact CG2-CD1 4.39Å; I174-T189 CarbonylContact O-C 3.56Å; I174-T189 WeakPolarHBondContact O-CA 3.3Å; I174-L190 HydrophobicContact CB-CB 4.09Å; I174-L190 HydrophobicContact CB-CD2 4.41Å; I174-L190 HydrophobicContact CG2-CD2 4.31Å; I174-L190 PolarHBondContact N-O 2.87Å; I174-L190 VanDerWaalsContact N-O 3.16Å; I174-L190 PolarHBondContact O-N 3.23Å; I174-V197 HydrophobicContact CD1-CG1 4.14Å; I174-V197 HydrophobicContact CG1-CG1 3.98Å; I174-V197 HydrophobicContact CG1-CG2 4.39Å; I174-L200 HydrophobicContact CG1-CD2 4.32Å; I174-L200 HydrophobicContact CG2-CD2 3.63Å; I174-M209 HydrophobicContact CD1-CE 4.26Å; I174-M209 HydrophobicContact CG2-CE 3.75Å; I174-M209 HydrophobicContact CG2-SD 4.45Å; I174-W221 HydrophobicContact CD1-CZ2 4.23Å
175	C	98.8	Very high	96.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.9	173.6	-71.5	0	0	0	0	110.1	S148 H149 A166 S167 Y177 A188	S148-C175 PolarHBondContact OG-SG 3.48Å; H149-C175 VanDerWaalsContact CE1-SG 3.54Å; A166-C175 CarbonylContact C-O 3.53Å; A166-C175 VanDerWaalsContact CA-O 3.31Å; A166-C175 WeakPolarHBondContact CA-O 2.84Å; S167-C175 PolarHBondContact N-O 2.89Å; S167-C175 PolarHBondContact O-N 3.32Å; C175-Y177 HydrophobicContact CB-CE1 4.06Å; C175-Y177 HydrophobicContact CB-CE2 3.9Å; C175-Y177 VanDerWaalsContact CB-CZ 3.47Å; C175-Y177 WeakPolarHBondContact CB-OH 3.29Å; C175-A188 CarbonylContact C-O 3.53Å; C175-A188 WeakPolarHBondContact CA-O 3.2Å
176	I	98.5	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.3	175.3	-55.3	-61.3	0	0	0	108.3	L164 L165 A166 I174 C186 Q187 A188 L190 M209 L233	L164-I176 HydrophobicContact CD1-CG2 3.65Å; L164-I176 HydrophobicContact CD2-CG2 4.07Å; L164-I176 HydrophobicContact CG-CG2 3.88Å; L165-I176 CarbonylContact O-C 3.56Å; L165-I176 WeakPolarHBondContact O-CA 3.48Å; A166-I176 HydrophobicContact CB-CD1 3.63Å; I174-I176 HydrophobicContact CG2-CD1 4.39Å; I176-C186 CarbonylContact O-C 3.51Å; I176-C186 WeakPolarHBondContact O-CA 3.39Å; I176-Q187 PolarHBondContact O-N 3.09Å; I176-A188 HydrophobicContact CB-CB 4.14Å; I176-A188 HydrophobicContact CG1-CB 4.25Å; I176-A188 PolarHBondContact N-O 3.3Å; I176-A188 PolarHBondContact O-N 2.99Å; I176-L190 HydrophobicContact CG1-CD1 3.71Å; I176-M209 HydrophobicContact CD1-CE 4.13Å; I176-L233 HydrophobicContact CG2-CD1 3.9Å
177	Y	98.2	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.1	-179.7	-40.7	-92.2	0	0	0	111.3	L146 S148 L164 L165 S167 C175 E185 C186	L146-Y177 HydrophobicContact CB-CD1 4.35Å; L146-Y177 HydrophobicContact CB-CE1 3.95Å; L146-Y177 HydrophobicContact CD1-CD1 3.56Å; L146-Y177 HydrophobicContact CD1-CD2 4.15Å; L146-Y177 HydrophobicContact CD1-CE1 3.89Å; L146-Y177 HydrophobicContact CD1-CE2 4.44Å; L146-Y177 HydrophobicContact CD1-CG 3.69Å; L146-Y177 HydrophobicContact CD2-CD1 3.91Å; L146-Y177 HydrophobicContact CD2-CE1 4.28Å; L146-Y177 HydrophobicContact CG-CD1 4.15Å; L146-Y177 HydrophobicContact CG-CE1 4.26Å; S148-Y177 WeakPolarHBondContact OG-CE1 3.18Å; S148-Y177 PolarHBondContact OG-OH 2.66Å; L164-Y177 WeakPolarHBondContact CD1-O 3.26Å; L165-Y177 HydrophobicContact CB-CD2 4.12Å; L165-Y177 HydrophobicContact CD2-CD2 4.07Å; L165-Y177 HydrophobicContact CG-CD2 3.94Å; L165-Y177 PolarHBondContact N-O 2.91Å; L165-Y177 WeakPolarHBondContact O-CD2 3.18Å; L165-Y177 PolarHBondContact O-N 2.78Å; S167-Y177 WeakPolarHBondContact OG-CE2 3.5Å; S167-Y177 PolarHBondContact OG-OH 3.44Å; C175-Y177 HydrophobicContact CB-CE1 4.06Å; C175-Y177 HydrophobicContact CB-CE2 3.9Å; C175-Y177 VanDerWaalsContact CB-CZ 3.47Å; C175-Y177 WeakPolarHBondContact CB-OH 3.29Å; Y177-E185 WeakPolarHBondContact CA-O 3.16Å; Y177-C186 HydrophobicContact CD1-CB 3.88Å; Y177-C186 HydrophobicContact CE1-CB 3.91Å
178	K	95.8	Very high	96.1	Very high	79 Å²	79	50 Å²	50	34%	0.343	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.5	175.8	-164.3	-173	163.9	-146.7	0	108.2	L164 E180 E185 Q187	L164-K178 HydrophobicContact CD1-CB 3.92Å; L164-K178 HydrophobicContact CD1-CD 4.45Å; L164-K178 HydrophobicContact CD1-CG 4.17Å; K178-E180 WeakPolarHBondContact CD-OE1 3.33Å; K178-E180 WeakPolarHBondContact CE-OE1 3.39Å; K178-E180 IonicContact NZ-OE1 3.16Å; K178-E180 PolarHBondContact NZ-OE1 2.76Å; K178-E185 PolarHBondContact N-O 2.69Å; K178-E185 PolarHBondContact O-N 2.71Å; K178-Q187 HydrophobicContact CB-CG 3.66Å
179	E	94.6	Very high	96	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.4	167.6	-171.1	173.3	-132.4	0	0	110.8	D183 W184	E179-D183 CarbonylContact C-O 3.55Å; E179-D183 VanDerWaalsContact CA-O 3.29Å; E179-D183 WeakPolarHBondContact CA-O 3.45Å; E179-W184 HydrophobicContact CB-CD2 4.25Å; E179-W184 HydrophobicContact CB-CG 4.49Å; E179-W184 HydrophobicContact CB-CZ2 3.98Å
180	E	89.7	Confident	96	Very high	71 Å²	71	53.8 Å²	53.8	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.6	172.6	-64.2	-68.9	167.6	0	0	107.6	K178 D182 D183	K178-E180 WeakPolarHBondContact CD-OE1 3.33Å; K178-E180 WeakPolarHBondContact CE-OE1 3.39Å; K178-E180 IonicContact NZ-OE1 3.16Å; K178-E180 PolarHBondContact NZ-OE1 2.76Å; E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 3.23Å; E180-D183 PolarHBondContact N-O 2.97Å; E180-D183 PolarHBondContact O-N 3.35Å; E180-D183 VanDerWaalsContact O-N 3.09Å
181	D	89.3	Confident	95.9	Very high	163 Å²	163	55.2 Å²	55.2	87%	0.872	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	45.9	178.8	-61.9	-36.1	0	0	0	114.7	D183	D181-D183 PolarHBondContact O-N 3.28Å
182	D	89.6	Confident	95.9	Very high	156 Å²	156	56 Å²	56	83%	0.834	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	20.3	-179.5	-53.9	-40.3	0	0	0	114.9	E180	E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 3.23Å
183	D	92	Very high	95.9	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.7	169	-161.6	5.1	0	0	0	111.7	E179 E180 D181	E179-D183 CarbonylContact C-O 3.55Å; E179-D183 VanDerWaalsContact CA-O 3.29Å; E179-D183 WeakPolarHBondContact CA-O 3.45Å; E180-D183 PolarHBondContact N-O 2.97Å; E180-D183 PolarHBondContact O-N 3.35Å; E180-D183 VanDerWaalsContact O-N 3.09Å; D181-D183 PolarHBondContact O-N 3.28Å
184	W	96.7	Very high	95.9	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.038	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.8	177.4	-81	75.7	0	0	0	110.4	L119 V131 T144 L146 W158 E163 L165 E179	L119-W184 HydrophobicContact CD1-CH2 4.3Å; L119-W184 HydrophobicContact CD1-CZ2 3.52Å; V131-W184 HydrophobicContact CG2-CD2 4.22Å; V131-W184 HydrophobicContact CG2-CE3 4.34Å; T144-W184 HydrophobicContact CG2-CB 3.35Å; T144-W184 HydrophobicContact CG2-CD2 4.42Å; T144-W184 HydrophobicContact CG2-CG 3.54Å; L146-W184 HydrophobicContact CD2-CB 4.08Å; L146-W184 VanDerWaalsContact CD2-O 3.22Å; L146-W184 WeakPolarHBondContact CD2-O 3.15Å; W158-W184 AromaticContact CH2-CH2 3.48Å; W158-W184 HydrophobicContact CH2-CH2 3.48Å; W158-W184 VanDerWaalsContact CH2-CH2 3.48Å; W158-W184 AromaticContact CH2-CZ2 3.89Å; W158-W184 HydrophobicContact CH2-CZ2 3.89Å; W158-W184 HydrophobicContact CH2-CZ3 4.07Å; W158-W184 AromaticContact CZ3-CH2 3.4Å; W158-W184 HydrophobicContact CZ3-CH2 3.4Å; W158-W184 VanDerWaalsContact CZ3-CH2 3.4Å; W158-W184 HydrophobicContact CZ3-CZ2 4.13Å; W158-W184 HydrophobicContact CZ3-CZ3 4.07Å; E163-W184 HydrophobicContact CB-CH2 4.38Å; L165-W184 HydrophobicContact CB-CZ3 4.04Å; E179-W184 HydrophobicContact CB-CD2 4.25Å; E179-W184 HydrophobicContact CB-CG 4.49Å; E179-W184 HydrophobicContact CB-CZ2 3.98Å
185	E	95.1	Very high	95.9	Very high	102 Å²	102	59.7 Å²	59.7	48%	0.477	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.8	-177.7	-64.6	-170.8	161.1	0	0	112.3	Y177 K178 Q187	Y177-E185 WeakPolarHBondContact CA-O 3.16Å; K178-E185 PolarHBondContact N-O 2.69Å; K178-E185 PolarHBondContact O-N 2.71Å; E185-Q187 PolarHBondContact O-N 2.99Å
186	C	96.2	Very high	95.9	Very high	48 Å²	48	59.8 Å²	59.8	32%	0.324	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	104.3	169.8	-172.6	0	0	0	0	110	I176 Y177	I176-C186 CarbonylContact O-C 3.51Å; I176-C186 WeakPolarHBondContact O-CA 3.39Å; Y177-C186 HydrophobicContact CD1-CB 3.88Å; Y177-C186 HydrophobicContact CE1-CB 3.91Å
187	Q	95.2	Very high	95.9	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.065	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-27.2	-177.9	-64.4	-59.5	-45.9	0	0	113	I176 K178 E185 N232 L233	I176-Q187 PolarHBondContact O-N 3.09Å; K178-Q187 HydrophobicContact CB-CG 3.66Å; E185-Q187 PolarHBondContact O-N 2.99Å; Q187-N232 WeakPolarHBondContact O-CB 3.39Å; Q187-N232 PolarHBondContact O-ND2 3.47Å; Q187-L233 HydrophobicContact CB-CD1 4.37Å; Q187-L233 HydrophobicContact CB-CG 4.46Å
188	A	95.4	Very high	96	Very high	16 Å²	16	62.5 Å²	62.5	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	145.2	179.1	0	0	0	0	0	112.7	C175 I176 L190 L233	C175-A188 CarbonylContact C-O 3.53Å; C175-A188 WeakPolarHBondContact CA-O 3.2Å; I176-A188 HydrophobicContact CB-CB 4.14Å; I176-A188 HydrophobicContact CG1-CB 4.25Å; I176-A188 PolarHBondContact N-O 3.3Å; I176-A188 PolarHBondContact O-N 2.99Å; A188-L190 HydrophobicContact CB-CD1 3.85Å; A188-L233 WeakPolarHBondContact CB-O 3.38Å
189	T	97.5	Very high	96.1	Very high	74 Å²	74	58.7 Å²	58.7	45%	0.454	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.3	165.5	-56.9	0	0	0	0	109.3	N173 I174 Q191	N173-T189 HydrophobicContact CB-CG2 3.83Å; I174-T189 CarbonylContact O-C 3.56Å; I174-T189 WeakPolarHBondContact O-CA 3.3Å; T189-Q191 HydrophobicContact CG2-CG 4.34Å
190	L	98.3	Very high	96.3	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.2	-178.4	-72.7	59	0	0	0	108.2	I174 I176 A188 M209 W221 W235	I174-L190 HydrophobicContact CB-CB 4.09Å; I174-L190 HydrophobicContact CB-CD2 4.41Å; I174-L190 HydrophobicContact CG2-CD2 4.31Å; I174-L190 PolarHBondContact N-O 2.87Å; I174-L190 VanDerWaalsContact N-O 3.16Å; I174-L190 PolarHBondContact O-N 3.23Å; I176-L190 HydrophobicContact CG1-CD1 3.71Å; A188-L190 HydrophobicContact CB-CD1 3.85Å; L190-M209 HydrophobicContact CD2-CE 3.64Å; L190-W221 HydrophobicContact CB-CD2 4.48Å; L190-W221 HydrophobicContact CB-CE3 4Å; L190-W221 HydrophobicContact CB-CH2 4.14Å; L190-W221 HydrophobicContact CB-CZ3 3.81Å; L190-W221 HydrophobicContact CD2-CB 4.11Å; L190-W221 HydrophobicContact CD2-CD2 3.75Å; L190-W221 HydrophobicContact CD2-CE3 3.75Å; L190-W221 HydrophobicContact CD2-CG 3.89Å; L190-W221 HydrophobicContact CD2-CZ3 4.42Å; L190-W221 HydrophobicContact CG-CD2 4.47Å; L190-W221 HydrophobicContact CG-CE3 4Å; L190-W221 HydrophobicContact CG-CZ3 4.28Å; L190-W235 HydrophobicContact CD1-CB 3.78Å; L190-W235 HydrophobicContact CD1-CG 4.18Å; L190-W235 HydrophobicContact CD2-CB 3.68Å; L190-W235 HydrophobicContact CD2-CG 4.13Å; L190-W235 HydrophobicContact CG-CB 3.67Å; L190-W235 HydrophobicContact CG-CG 4.41Å
191	Q	98.3	Very high	96.8	Very high	147 Å²	147	52 Å²	52	69%	0.687	29%	0.289	S	S	*	.			trans	-105	140.3	177.4	-56.5	-172.2	-33.3	0	0	109.8	N173 T189	N173-Q191 WeakPolarHBondContact OD1-CG 3.43Å; T189-Q191 HydrophobicContact CG2-CG 4.34Å
192	G	98.2	Very high	97.2	Very high	35 Å²	35	44.7 Å²	44.7	36%	0.361	25%	0.249	S	C	.	.			trans	160.9	-23.1	173.8	0	0	0	0	0	115.4	K219	G192-K219 WeakPolarHBondContact O-CE 3.42Å; G192-K219 PolarHBondContact O-NZ 3.22Å
193	H	98.9	Very high	97.6	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.06	21%	0.212	C	C	.	.			trans	-72.3	149.9	165.6	-82.4	-63.1	0	0	0	110.6	V197 S211 S213 D215 T217	H193-V197 HydrophobicContact CB-CG2 3.84Å; H193-S211 PolarHBondContact CD2-OG 2.9Å; H193-S211 PolarHBondContact NE2-OG 3.01Å; H193-S213 VanDerWaalsContact CE1-CB 3.41Å; H193-S213 WeakPolarHBondContact CE1-CB 3.39Å; H193-S213 WeakPolarHBondContact ND1-CB 3.48Å; H193-D215 VanDerWaalsContact CA-OD2 3.3Å; H193-D215 WeakPolarHBondContact CA-OD2 3.24Å; H193-D215 WeakPolarHBondContact CB-OD2 3.3Å; H193-D215 IonicContact CE1-OD1 3.81Å; H193-D215 IonicContact CE1-OD2 3.27Å; H193-D215 IonicContact CG-OD2 2.8Å; H193-D215 IonicContact ND1-OD1 2.7Å; H193-D215 PolarHBondContact ND1-OD1 2.91Å; H193-D215 IonicContact ND1-OD2 2.84Å; H193-D215 PolarHBondContact ND1-OD2 3.45Å; H193-T217 PolarHBondContact CE1-OG1 2.86Å; H193-T217 PolarHBondContact ND1-OG1 2.94Å
194	T	98.8	Very high	97.9	Very high	113 Å²	113	35.9 Å²	35.9	69%	0.693	21%	0.209	S	C	*	.	S	Bend	trans	-107.5	-2.4	-177.2	61.3	0	0	0	0	113.5	N172 D215	N172-T194 PolarHBondContact ND2-O 3.29Å; T194-D215 PolarHBondContact N-OD2 3.32Å; T194-D215 VanDerWaalsContact OG1-CB 3.24Å; T194-D215 WeakPolarHBondContact OG1-CB 3.16Å
195	S	98.9	Very high	97.9	Very high	30 Å²	30	37.1 Å²	37.1	21%	0.21	22%	0.221	C	C	.	.	S	Bend	trans	-148.6	-178.8	172.8	-164.7	0	0	0	0	109.9	N172 V197 S213 D214	N172-S195 VanDerWaalsContact CG-C 3.41Å; N172-S195 WeakPolarHBondContact OD1-CA 3.43Å; N172-S195 PolarHBondContact OD1-O 3.18Å; S195-V197 PolarHBondContact O-N 3.42Å; S195-S213 PolarHBondContact O-OG 3.43Å; S195-D214 WeakPolarHBondContact CB-OD2 3.24Å; S195-D214 WeakPolarHBondContact OG-CB 3.36Å; S195-D214 PolarHBondContact OG-OD2 3.37Å
196	T	98.9	Very high	98	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.025	20%	0.198	C	C	.	.			trans	-43.8	128.2	-174.7	-64.6	0	0	0	0	112.4	K154 Y170 N172 W198 S213 D214	K154-T196 HydrophobicContact CD-CG2 4.44Å; K154-T196 HydrophobicContact CG-CG2 3.94Å; Y170-T196 HydrophobicContact CD2-CG2 3.98Å; Y170-T196 WeakPolarHBondContact CD2-OG1 3.3Å; Y170-T196 VanDerWaalsContact CE2-OG1 3.25Å; Y170-T196 WeakPolarHBondContact CE2-OG1 3.5Å; N172-T196 PolarHBondContact OD1-N 3.28Å; N172-T196 VanDerWaalsContact OD1-N 3.1Å; T196-W198 HydrophobicContact CG2-CD2 3.88Å; T196-W198 HydrophobicContact CG2-CE3 4.31Å; T196-W198 HydrophobicContact CG2-CG 4.26Å; T196-W198 HydrophobicContact CG2-CZ2 4.11Å; T196-S213 CarbonylContact O-C 3.54Å; T196-S213 WeakPolarHBondContact O-CA 3.5Å; T196-S213 VanDerWaalsContact O-CB 3.32Å; T196-S213 WeakPolarHBondContact O-CB 3.2Å; T196-S213 PolarHBondContact O-OG 2.95Å; T196-D214 PolarHBondContact O-N 3.35Å
197	V	99	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116	169.4	-169	0	0	0	0	107.9	K154 A168 S169 N172 I174 H193 S195	K154-V197 WeakPolarHBondContact CB-O 3.34Å; K154-V197 WeakPolarHBondContact CG-O 3.3Å; A168-V197 HydrophobicContact CB-CB 3.84Å; A168-V197 HydrophobicContact CB-CG1 3.56Å; S169-V197 PolarHBondContact O-N 2.79Å; N172-V197 WeakPolarHBondContact O-CG2 3.46Å; I174-V197 HydrophobicContact CD1-CG1 4.14Å; I174-V197 HydrophobicContact CG1-CG1 3.98Å; I174-V197 HydrophobicContact CG1-CG2 4.39Å; H193-V197 HydrophobicContact CB-CG2 3.84Å; S195-V197 PolarHBondContact O-N 3.42Å
198	W	98.9	Very high	98.1	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.212	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-36.9	-172.4	-76.1	110.5	0	0	0	113.4	K154 T196 C212 Y250	K154-W198 HydrophobicContact CD-CE3 4.09Å; K154-W198 HydrophobicContact CD-CZ3 3.9Å; K154-W198 HydrophobicContact CG-CE3 4.24Å; T196-W198 HydrophobicContact CG2-CD2 3.88Å; T196-W198 HydrophobicContact CG2-CE3 4.31Å; T196-W198 HydrophobicContact CG2-CG 4.26Å; T196-W198 HydrophobicContact CG2-CZ2 4.11Å; W198-C212 PolarHBondContact N-O 3.43Å; W198-Y250 WeakPolarHBondContact CB-O 3.06Å; W198-Y250 AromaticContact CD1-CD1 3.99Å; W198-Y250 AromaticContact CD2-CD1 3.82Å; W198-Y250 HydrophobicContact CD2-CD1 3.82Å; W198-Y250 HydrophobicContact CD2-CE1 4.26Å; W198-Y250 AromaticContact CE2-CD1 3.77Å; W198-Y250 AromaticContact CE2-CE1 3.73Å; W198-Y250 HydrophobicContact CE3-CD1 4.37Å; W198-Y250 AromaticContact CG-CD1 3.99Å; W198-Y250 HydrophobicContact CG-CD1 3.99Å; W198-Y250 HydrophobicContact CH2-CE1 4.49Å; W198-Y250 HydrophobicContact CZ2-CD1 4.28Å; W198-Y250 AromaticContact CZ2-CE1 3.88Å; W198-Y250 HydrophobicContact CZ2-CE1 3.88Å; W198-Y250 AromaticContact NE1-CD1 3.85Å; W198-Y250 AromaticContact NE1-CE1 3.84Å
199	S	98.9	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.5	-175.4	-159	0	0	0	0	111.2	H155 S211 C212 D251	H155-S199 PolarHBondContact CD2-OG 3.24Å; S199-S211 WeakPolarHBondContact O-CA 3.34Å; S199-C212 PolarHBondContact O-N 3.4Å; S199-D251 VanDerWaalsContact CB-OD1 3.23Å; S199-D251 WeakPolarHBondContact CB-OD1 2.98Å; S199-D251 PolarHBondContact OG-OD1 3.36Å
200	L	98.9	Very high	98.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.9	175	56.9	74.6	0	0	0	110.2	A157 A166 A168 I174 M209 A210	A157-L200 HydrophobicContact CB-CD1 3.35Å; A166-L200 HydrophobicContact CB-CD1 3.89Å; A166-L200 HydrophobicContact CB-CD2 3.79Å; A168-L200 HydrophobicContact CB-CD2 3.92Å; A168-L200 HydrophobicContact CB-CG 4.31Å; I174-L200 HydrophobicContact CG1-CD2 4.32Å; I174-L200 HydrophobicContact CG2-CD2 3.63Å; L200-M209 HydrophobicContact CB-CG 4.21Å; L200-M209 HydrophobicContact CB-SD 3.96Å; L200-M209 HydrophobicContact CD1-SD 4.02Å; L200-M209 HydrophobicContact CD2-SD 3.82Å; L200-M209 HydrophobicContact CG-SD 4.16Å; L200-A210 CarbonylContact C-O 3.59Å; L200-A210 WeakPolarHBondContact CA-O 3.17Å
201	C	98.9	Very high	98.4	Very high	19 Å²	19	32.2 Å²	32.2	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	145	172.8	60.1	0	0	0	0	110.8	M209 A210 V252 W254	C201-M209 CarbonylContact O-C 3.5Å; C201-M209 VanDerWaalsContact O-CA 3.3Å; C201-M209 WeakPolarHBondContact O-CA 3.27Å; C201-M209 WeakPolarHBondContact O-CG 3.41Å; C201-A210 PolarHBondContact N-O 2.61Å; C201-A210 PolarHBondContact O-N 2.87Å; C201-V252 PolarHBondContact SG-O 2.67Å; C201-W254 PolarHBondContact SG-N 3.06Å
202	F	98.9	Very high	98.4	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.039	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	152	174.3	-71.8	-87.9	0	0	0	111.5	W158 H159 P160 A166 R208 M209 W235 Q256	W158-F202 WeakPolarHBondContact O-CD2 3.18Å; H159-F202 HydrophobicContact CB-CD2 4.47Å; H159-F202 HydrophobicContact CB-CE1 4.3Å; H159-F202 HydrophobicContact CB-CE2 4.17Å; H159-F202 HydrophobicContact CB-CZ 4.07Å; H159-F202 AromaticContact CD2-CD1 3.94Å; H159-F202 AromaticContact CD2-CE1 3.85Å; P160-F202 HydrophobicContact CG-CB 4.26Å; A166-F202 HydrophobicContact CB-CE2 4.03Å; A166-F202 HydrophobicContact CB-CZ 3.98Å; F202-R208 WeakPolarHBondContact CA-O 3.24Å; F202-M209 HydrophobicContact CD1-CB 4.25Å; F202-M209 HydrophobicContact CE1-CB 4.39Å; F202-M209 HydrophobicContact CZ-SD 4.3Å; F202-W235 HydrophobicContact CD1-CH2 4.27Å; F202-W235 AromaticContact CE1-CH2 3.73Å; F202-W235 HydrophobicContact CE1-CH2 3.73Å; F202-W235 HydrophobicContact CE1-CZ2 4.11Å; F202-Q256 PolarHBondContact O-NE2 2.9Å
203	D	98.5	Very high	98.5	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.048	13%	0.134	C	C	.	.			trans	-73.1	172.8	164.2	80.5	-11.3	0	0	0	111.5	A205 G206 E207 R208 W254	D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.9Å; D203-A205 PolarHBondContact OD1-N 3.38Å; D203-G206 PolarHBondContact O-N 3.17Å; D203-G206 VanDerWaalsContact O-N 3.11Å; D203-G206 WeakPolarHBondContact OD1-CA 3.32Å; D203-G206 PolarHBondContact OD1-N 3.18Å; D203-E207 PolarHBondContact OD1-N 2.94Å; D203-R208 HydrophobicContact CB-CB 4.35Å; D203-R208 PolarHBondContact N-O 2.9Å; D203-R208 PolarHBondContact OD1-N 2.94Å; D203-R208 IonicContact OD2-CZ 3.56Å; D203-R208 IonicContact OD2-NE 2.85Å; D203-R208 PolarHBondContact OD2-NE 2.82Å; D203-R208 IonicContact OD2-NH2 3.36Å; D203-R208 PolarHBondContact OD2-NH2 3.16Å; D203-W254 HydrophobicContact CB-CD2 3.74Å; D203-W254 HydrophobicContact CB-CE3 3.79Å; D203-W254 HydrophobicContact CB-CG 4.33Å; D203-W254 HydrophobicContact CB-CH2 4.09Å; D203-W254 HydrophobicContact CB-CZ2 4.05Å; D203-W254 HydrophobicContact CB-CZ3 3.97Å
204	A	97.6	Very high	98.5	Very high	47 Å²	47	26 Å²	26	39%	0.388	15%	0.147	S	C	.	.	S	Bend	trans	-65.6	-27.1	-177.4	0	0	0	0	0	114.1	K161 G206	K161-A204 VanDerWaalsContact CE-O 3.3Å; K161-A204 WeakPolarHBondContact CE-O 3.47Å; K161-A204 PolarHBondContact NZ-O 3.5Å; A204-G206 VanDerWaalsContact C-N 3.34Å
205	A	96.6	Very high	98.5	Very high	36 Å²	36	22 Å²	22	30%	0.298	12%	0.122	S	C	.	.	S	Bend	trans	-71.2	-37.3	174.8	0	0	0	0	0	110.4	K161 D203 E207	K161-A205 PolarHBondContact NZ-O 3.19Å; D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.9Å; D203-A205 PolarHBondContact OD1-N 3.38Å; A205-E207 VanDerWaalsContact C-N 3.27Å; A205-E207 HydrophobicContact CB-CB 4.23Å; A205-E207 HydrophobicContact CB-CG 4.02Å
206	G	97.1	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	86.9	-2.7	-169.7	0	0	0	0	0	112.9	H159 D203 A204 R208	H159-G206 PolarHBondContact CD2-O 2.78Å; H159-G206 VanDerWaalsContact NE2-C 3.34Å; H159-G206 WeakPolarHBondContact NE2-CA 3.24Å; H159-G206 PolarHBondContact NE2-O 2.9Å; D203-G206 PolarHBondContact O-N 3.17Å; D203-G206 VanDerWaalsContact O-N 3.11Å; D203-G206 WeakPolarHBondContact OD1-CA 3.32Å; D203-G206 PolarHBondContact OD1-N 3.18Å; A204-G206 VanDerWaalsContact C-N 3.34Å; G206-R208 VanDerWaalsContact C-N 3.28Å; G206-R208 PolarHBondContact O-N 2.91Å
207	E	96.2	Very high	98.5	Very high	117 Å²	117	27.7 Å²	27.7	55%	0.547	14%	0.14	S	C	.	.	S	Bend	trans	-80.5	-14	-179.3	-62.6	174.2	-174.6	0	0	112	D203 A205 E223	D203-E207 PolarHBondContact OD1-N 2.94Å; A205-E207 VanDerWaalsContact C-N 3.27Å; A205-E207 HydrophobicContact CB-CB 4.23Å; A205-E207 HydrophobicContact CB-CG 4.02Å; E207-E223 PolarHBondContact O-N 2.87Å
208	R	98.3	Very high	98.5	Very high	39 Å²	39	27.7 Å²	27.7	15%	0.147	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158	178.4	-56.3	179.3	-62.7	171.4	3.8	111.9	F202 D203 G206 I220 W221 K222 W254 E275	F202-R208 WeakPolarHBondContact CA-O 3.24Å; D203-R208 HydrophobicContact CB-CB 4.35Å; D203-R208 PolarHBondContact N-O 2.9Å; D203-R208 PolarHBondContact OD1-N 2.94Å; D203-R208 IonicContact OD2-CZ 3.56Å; D203-R208 IonicContact OD2-NE 2.85Å; D203-R208 PolarHBondContact OD2-NE 2.82Å; D203-R208 IonicContact OD2-NH2 3.36Å; D203-R208 PolarHBondContact OD2-NH2 3.16Å; G206-R208 VanDerWaalsContact C-N 3.28Å; G206-R208 PolarHBondContact O-N 2.91Å; R208-I220 HydrophobicContact CB-CG2 4.49Å; R208-W221 CarbonylContact C-O 3.49Å; R208-W221 WeakPolarHBondContact CA-O 3.32Å; R208-W221 WeakPolarHBondContact CB-O 3.47Å; R208-K222 HydrophobicContact CG-CB 4.2Å; R208-K222 HydrophobicContact CG-CG 4.15Å; R208-W254 HydrophobicContact CB-CH2 4.19Å; R208-W254 HydrophobicContact CB-CZ3 4.2Å; R208-E275 IonicContact CZ-OE1 3.95Å; R208-E275 IonicContact CZ-OE2 2.89Å; R208-E275 VanDerWaalsContact CZ-OE2 3.27Å; R208-E275 IonicContact NH1-OE1 3.54Å; R208-E275 PolarHBondContact NH1-OE1 2.88Å; R208-E275 IonicContact NH1-OE2 3.36Å; R208-E275 PolarHBondContact NH1-OE2 3.25Å; R208-E275 IonicContact NH2-OE2 3.51Å; R208-E275 PolarHBondContact NH2-OE2 3.36Å
209	M	98.7	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	178.2	179.2	174.8	57.7	0	0	109.8	A166 I174 I176 L190 L200 C201 F202 I220 W221 W235	A166-M209 HydrophobicContact CB-SD 3.9Å; I174-M209 HydrophobicContact CD1-CE 4.26Å; I174-M209 HydrophobicContact CG2-CE 3.75Å; I174-M209 HydrophobicContact CG2-SD 4.45Å; I176-M209 HydrophobicContact CD1-CE 4.13Å; L190-M209 HydrophobicContact CD2-CE 3.64Å; L200-M209 HydrophobicContact CB-CG 4.21Å; L200-M209 HydrophobicContact CB-SD 3.96Å; L200-M209 HydrophobicContact CD1-SD 4.02Å; L200-M209 HydrophobicContact CD2-SD 3.82Å; L200-M209 HydrophobicContact CG-SD 4.16Å; C201-M209 CarbonylContact O-C 3.5Å; C201-M209 VanDerWaalsContact O-CA 3.3Å; C201-M209 WeakPolarHBondContact O-CA 3.27Å; C201-M209 WeakPolarHBondContact O-CG 3.41Å; F202-M209 HydrophobicContact CD1-CB 4.25Å; F202-M209 HydrophobicContact CE1-CB 4.39Å; F202-M209 HydrophobicContact CZ-SD 4.3Å; M209-I220 CarbonylContact O-C 3.57Å; M209-I220 WeakPolarHBondContact O-CA 3.3Å; M209-W221 HydrophobicContact CB-CB 4.49Å; M209-W221 HydrophobicContact CE-CB 4.41Å; M209-W221 HydrophobicContact CE-CG 4.32Å; M209-W221 PolarHBondContact N-O 3.49Å; M209-W221 PolarHBondContact O-N 3.18Å; M209-W235 HydrophobicContact CB-CZ3 3.98Å
210	A	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.6	167.2	0	0	0	0	0	109.5	L200 C201 V218 K219 I220 V252 W254 L261	L200-A210 CarbonylContact C-O 3.59Å; L200-A210 WeakPolarHBondContact CA-O 3.17Å; C201-A210 PolarHBondContact N-O 2.61Å; C201-A210 PolarHBondContact O-N 2.87Å; A210-V218 HydrophobicContact CB-CG1 4.38Å; A210-K219 CarbonylContact C-O 3.53Å; A210-K219 VanDerWaalsContact CA-O 3.3Å; A210-K219 WeakPolarHBondContact CA-O 3.29Å; A210-I220 HydrophobicContact CB-CD1 3.78Å; A210-V252 HydrophobicContact CB-CG2 4.03Å; A210-W254 HydrophobicContact CB-CE3 3.67Å; A210-W254 HydrophobicContact CB-CZ3 3.9Å; A210-L261 HydrophobicContact CB-CD1 3.71Å; A210-L261 HydrophobicContact CB-CD2 4.22Å
211	S	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.3	171.2	64.8	0	0	0	0	111.1	H193 S199 V218 K219 W221	H193-S211 PolarHBondContact CD2-OG 2.9Å; H193-S211 PolarHBondContact NE2-OG 3.01Å; S199-S211 WeakPolarHBondContact O-CA 3.34Å; S211-V218 CarbonylContact O-C 3.59Å; S211-V218 WeakPolarHBondContact O-CA 3.38Å; S211-V218 WeakPolarHBondContact O-CG1 3.25Å; S211-K219 PolarHBondContact N-O 3.02Å; S211-K219 PolarHBondContact O-N 3.34Å; S211-W221 PolarHBondContact OG-NE1 3.24Å
212	C	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.2	179	73.8	0	0	0	0	111.8	W198 S199 V218 V249 D251 V252	W198-C212 PolarHBondContact N-O 3.43Å; S199-C212 PolarHBondContact O-N 3.4Å; C212-V218 HydrophobicContact CB-CG2 4Å; C212-V249 HydrophobicContact CB-CB 3.79Å; C212-V249 HydrophobicContact CB-CG1 3.52Å; C212-V249 PolarHBondContact SG-O 3.06Å; C212-D251 VanDerWaalsContact SG-C 3.57Å; C212-V252 HydrophobicContact CB-CB 3.95Å; C212-V252 HydrophobicContact CB-CG1 3.96Å
213	S	98.9	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161	-167.5	172.2	0	0	0	0	113.7	H193 S195 T196 D215 R216 T217 V249	H193-S213 VanDerWaalsContact CE1-CB 3.41Å; H193-S213 WeakPolarHBondContact CE1-CB 3.39Å; H193-S213 WeakPolarHBondContact ND1-CB 3.48Å; S195-S213 PolarHBondContact O-OG 3.43Å; T196-S213 CarbonylContact O-C 3.54Å; T196-S213 WeakPolarHBondContact O-CA 3.5Å; T196-S213 VanDerWaalsContact O-CB 3.32Å; T196-S213 WeakPolarHBondContact O-CB 3.2Å; T196-S213 PolarHBondContact O-OG 2.95Å; S213-D215 VanDerWaalsContact CB-OD1 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.38Å; S213-D215 PolarHBondContact O-N 2.78Å; S213-D215 PolarHBondContact OG-N 2.77Å; S213-D215 PolarHBondContact OG-OD1 3.04Å; S213-D215 PolarHBondContact OG-OD2 3.02Å; S213-R216 PolarHBondContact O-N 2.95Å; S213-R216 VanDerWaalsContact O-N 3.15Å; S213-T217 PolarHBondContact N-O 2.56Å; S213-V249 PolarHBondContact O-N 2.81Å; S213-V249 VanDerWaalsContact O-N 3.08Å
214	D	98.9	Very high	97.8	Very high	65 Å²	65	30.3 Å²	30.3	35%	0.348	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	165.1	-176	74.3	0	0	0	112.7	S195 T196 R216 A248	S195-D214 WeakPolarHBondContact CB-OD2 3.24Å; S195-D214 WeakPolarHBondContact OG-CB 3.36Å; S195-D214 PolarHBondContact OG-OD2 3.37Å; T196-D214 PolarHBondContact O-N 3.35Å; D214-R216 WeakPolarHBondContact O-CG 3.41Å; D214-R216 PolarHBondContact O-N 2.88Å; D214-A248 HydrophobicContact CB-CB 4.38Å; D214-A248 WeakPolarHBondContact OD1-CB 3.47Å
215	D	98.9	Very high	97	Very high	29 Å²	29	33.6 Å²	33.6	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	2	173.1	73	18.3	0	0	0	114.1	H193 T194 S213 T217	H193-D215 VanDerWaalsContact CA-OD2 3.3Å; H193-D215 WeakPolarHBondContact CA-OD2 3.24Å; H193-D215 WeakPolarHBondContact CB-OD2 3.3Å; H193-D215 IonicContact CE1-OD1 3.81Å; H193-D215 IonicContact CE1-OD2 3.27Å; H193-D215 IonicContact CG-OD2 2.8Å; H193-D215 IonicContact ND1-OD1 2.7Å; H193-D215 PolarHBondContact ND1-OD1 2.91Å; H193-D215 IonicContact ND1-OD2 2.84Å; H193-D215 PolarHBondContact ND1-OD2 3.45Å; T194-D215 PolarHBondContact N-OD2 3.32Å; T194-D215 VanDerWaalsContact OG1-CB 3.24Å; T194-D215 WeakPolarHBondContact OG1-CB 3.16Å; S213-D215 VanDerWaalsContact CB-OD1 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.38Å; S213-D215 PolarHBondContact O-N 2.78Å; S213-D215 PolarHBondContact OG-N 2.77Å; S213-D215 PolarHBondContact OG-OD1 3.04Å; S213-D215 PolarHBondContact OG-OD2 3.02Å; D215-T217 PolarHBondContact O-N 3.42Å; D215-T217 WeakPolarHBondContact OD1-CB 3.43Å; D215-T217 PolarHBondContact OD1-N 2.71Å; D215-T217 PolarHBondContact OD1-OG1 3.1Å; D215-T217 PolarHBondContact OD2-OG1 3.21Å
216	R	98.9	Very high	95.8	Very high	134 Å²	134	34 Å²	34	51%	0.506	17%	0.168	S	C	.	.	S	Bend	trans	68.4	19.8	175.8	-39.1	-178.7	-172	167.6	2.9	113.6	S213 D214 H245 G246 R247	S213-R216 PolarHBondContact O-N 2.95Å; S213-R216 VanDerWaalsContact O-N 3.15Å; D214-R216 WeakPolarHBondContact O-CG 3.41Å; D214-R216 PolarHBondContact O-N 2.88Å; R216-H245 HydrophobicContact CB-CB 4.31Å; R216-G246 PolarHBondContact NH1-O 3.25Å; R216-R247 WeakPolarHBondContact CG-O 3.33Å
217	T	98.9	Very high	94.2	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.117	20%	0.203	C	C	.	.			trans	-113.6	156.1	174.8	73.2	0	0	0	0	111.7	H193 S213 D215 T240 L241	H193-T217 PolarHBondContact CE1-OG1 2.86Å; H193-T217 PolarHBondContact ND1-OG1 2.94Å; S213-T217 PolarHBondContact N-O 2.56Å; D215-T217 PolarHBondContact O-N 3.42Å; D215-T217 WeakPolarHBondContact OD1-CB 3.43Å; D215-T217 PolarHBondContact OD1-N 2.71Å; D215-T217 PolarHBondContact OD1-OG1 3.1Å; D215-T217 PolarHBondContact OD2-OG1 3.21Å; T217-T240 HydrophobicContact CG2-CG2 4.17Å; T217-L241 VanDerWaalsContact CA-O 3.3Å; T217-L241 WeakPolarHBondContact CA-O 3.46Å; T217-L241 WeakPolarHBondContact CB-O 3.3Å
218	V	98.9	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.9	162.3	176	0	0	0	0	107.9	A210 S211 C212 L241 V249 V252 L261 T263	A210-V218 HydrophobicContact CB-CG1 4.38Å; S211-V218 CarbonylContact O-C 3.59Å; S211-V218 WeakPolarHBondContact O-CA 3.38Å; S211-V218 WeakPolarHBondContact O-CG1 3.25Å; C212-V218 HydrophobicContact CB-CG2 4Å; V218-L241 HydrophobicContact CB-CB 4.23Å; V218-L241 HydrophobicContact CB-CD1 4.28Å; V218-L241 HydrophobicContact CB-CG 4.48Å; V218-L241 HydrophobicContact CG1-CD1 4.38Å; V218-L241 PolarHBondContact N-O 2.77Å; V218-L241 VanDerWaalsContact N-O 3.13Å; V218-L241 PolarHBondContact O-N 2.88Å; V218-V249 HydrophobicContact CG2-CG1 4.41Å; V218-V252 HydrophobicContact CG1-CG2 4.41Å; V218-L261 HydrophobicContact CG1-CD2 4.1Å; V218-T263 HydrophobicContact CG2-CG2 3.78Å
219	K	98.9	Very high	90.1	Very high	24 Å²	24	44.4 Å²	44.4	10%	0.104	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.3	177.5	-71.3	178	-176.4	-79.1	0	110.5	G192 A210 S211 W221 C239 T240	G192-K219 WeakPolarHBondContact O-CE 3.42Å; G192-K219 PolarHBondContact O-NZ 3.22Å; A210-K219 CarbonylContact C-O 3.53Å; A210-K219 VanDerWaalsContact CA-O 3.3Å; A210-K219 WeakPolarHBondContact CA-O 3.29Å; S211-K219 PolarHBondContact N-O 3.02Å; S211-K219 PolarHBondContact O-N 3.34Å; K219-W221 HydrophobicContact CB-CZ2 3.96Å; K219-W221 HydrophobicContact CD-CH2 4.24Å; K219-W221 HydrophobicContact CD-CZ2 3.74Å; K219-W221 HydrophobicContact CG-CZ2 4.49Å; K219-C239 WeakPolarHBondContact CA-O 3.18Å; K219-T240 HydrophobicContact CG-CG2 4.22Å; K219-T240 PolarHBondContact NZ-OG1 3.2Å
220	I	98.9	Very high	87.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.6	171.8	-50	-58.2	0	0	0	107.9	R208 M209 A210 C237 V238 C239 W254 L261 F286	R208-I220 HydrophobicContact CB-CG2 4.49Å; M209-I220 CarbonylContact O-C 3.57Å; M209-I220 WeakPolarHBondContact O-CA 3.3Å; A210-I220 HydrophobicContact CB-CD1 3.78Å; I220-C237 CarbonylContact O-C 3.57Å; I220-C237 WeakPolarHBondContact O-CA 3.32Å; I220-V238 HydrophobicContact CB-CG2 4.26Å; I220-V238 HydrophobicContact CG2-CG2 4.01Å; I220-V238 WeakPolarHBondContact O-CG2 3.46Å; I220-V238 PolarHBondContact O-N 3.29Å; I220-C239 HydrophobicContact CB-CB 3.99Å; I220-C239 HydrophobicContact CG1-CB 4.01Å; I220-C239 PolarHBondContact N-O 3.29Å; I220-C239 PolarHBondContact O-N 3.17Å; I220-W254 HydrophobicContact CD1-CH2 4.01Å; I220-W254 HydrophobicContact CD1-CZ3 3.96Å; I220-W254 HydrophobicContact CG2-CH2 3.89Å; I220-W254 HydrophobicContact CG2-CZ3 4.18Å; I220-L261 HydrophobicContact CD1-CD2 4.02Å; I220-F286 HydrophobicContact CD1-CE2 4.25Å; I220-F286 HydrophobicContact CD1-CZ 4.18Å; I220-F286 HydrophobicContact CG1-CD2 4.26Å; I220-F286 HydrophobicContact CG1-CE2 3.74Å; I220-F286 HydrophobicContact CG1-CZ 4.14Å
221	W	98.8	Very high	85.8	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.4	178	-48.7	87	0	0	0	108.6	I174 L190 R208 M209 S211 K219 W235 K236 C237	I174-W221 HydrophobicContact CD1-CZ2 4.23Å; L190-W221 HydrophobicContact CB-CD2 4.48Å; L190-W221 HydrophobicContact CB-CE3 4Å; L190-W221 HydrophobicContact CB-CH2 4.14Å; L190-W221 HydrophobicContact CB-CZ3 3.81Å; L190-W221 HydrophobicContact CD2-CB 4.11Å; L190-W221 HydrophobicContact CD2-CD2 3.75Å; L190-W221 HydrophobicContact CD2-CE3 3.75Å; L190-W221 HydrophobicContact CD2-CG 3.89Å; L190-W221 HydrophobicContact CD2-CZ3 4.42Å; L190-W221 HydrophobicContact CG-CD2 4.47Å; L190-W221 HydrophobicContact CG-CE3 4Å; L190-W221 HydrophobicContact CG-CZ3 4.28Å; R208-W221 CarbonylContact C-O 3.49Å; R208-W221 WeakPolarHBondContact CA-O 3.32Å; R208-W221 WeakPolarHBondContact CB-O 3.47Å; M209-W221 HydrophobicContact CB-CB 4.49Å; M209-W221 HydrophobicContact CE-CB 4.41Å; M209-W221 HydrophobicContact CE-CG 4.32Å; M209-W221 PolarHBondContact N-O 3.49Å; M209-W221 PolarHBondContact O-N 3.18Å; S211-W221 PolarHBondContact OG-NE1 3.24Å; K219-W221 HydrophobicContact CB-CZ2 3.96Å; K219-W221 HydrophobicContact CD-CH2 4.24Å; K219-W221 HydrophobicContact CD-CZ2 3.74Å; K219-W221 HydrophobicContact CG-CZ2 4.49Å; W221-W235 HydrophobicContact CB-CE3 3.82Å; W221-W235 HydrophobicContact CB-CZ3 4.4Å; W221-K236 CarbonylContact C-O 3.54Å; W221-K236 VanDerWaalsContact CA-O 3.3Å; W221-K236 WeakPolarHBondContact CA-O 3.41Å; W221-C237 HydrophobicContact CD2-CB 4.38Å; W221-C237 HydrophobicContact CE3-CB 3.75Å; W221-C237 HydrophobicContact CH2-CB 4.13Å; W221-C237 HydrophobicContact CZ3-CB 3.62Å
222	K	97.6	Very high	84.1	Confident	32 Å²	32	60.2 Å²	60.2	14%	0.139	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.1	177.4	-178.3	175.1	178	-175	0	110.2	R208 Y224 W235 K236 V238 P281 D282	R208-K222 HydrophobicContact CG-CB 4.2Å; R208-K222 HydrophobicContact CG-CG 4.15Å; K222-Y224 HydrophobicContact CB-CE2 3.93Å; K222-Y224 HydrophobicContact CD-CE2 4.22Å; K222-Y224 HydrophobicContact CG-CE2 4.01Å; K222-Y224 VanDerWaalsContact O-CD2 3.29Å; K222-Y224 WeakPolarHBondContact O-CD2 3.16Å; K222-Y224 WeakPolarHBondContact O-CE2 3.4Å; K222-W235 WeakPolarHBondContact O-CA 3.29Å; K222-K236 PolarHBondContact N-O 2.77Å; K222-K236 PolarHBondContact O-N 3.11Å; K222-V238 HydrophobicContact CB-CG1 3.82Å; K222-V238 HydrophobicContact CB-CG2 3.97Å; K222-V238 HydrophobicContact CD-CG1 4.43Å; K222-P281 WeakPolarHBondContact CD-O 3.32Å; K222-P281 PolarHBondContact NZ-O 2.93Å; K222-P281 VanDerWaalsContact NZ-O 3.09Å; K222-D282 IonicContact NZ-OD1 2.7Å; K222-D282 PolarHBondContact NZ-OD1 3.45Å
223	E	94.8	Very high	83.1	Confident	37 Å²	37	62.1 Å²	62.1	17%	0.173	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.7	171.6	-168.7	-177.6	-169.7	0	0	109.2	K162 E207 L233 S234 W235	K162-E223 IonicContact NZ-OE1 3.86Å; K162-E223 IonicContact NZ-OE2 2.67Å; K162-E223 PolarHBondContact NZ-OE2 3.36Å; K162-E223 VanDerWaalsContact NZ-OE2 3.15Å; E207-E223 PolarHBondContact O-N 2.87Å; E223-L233 WeakPolarHBondContact OE1-CD2 3.38Å; E223-S234 CarbonylContact C-O 3.55Å; E223-S234 WeakPolarHBondContact CA-O 3.43Å; E223-W235 HydrophobicContact CB-CD2 4.16Å; E223-W235 HydrophobicContact CB-CE3 4.29Å; E223-W235 HydrophobicContact CB-CH2 3.86Å; E223-W235 HydrophobicContact CB-CZ2 3.71Å; E223-W235 HydrophobicContact CB-CZ3 4.16Å; E223-W235 HydrophobicContact CG-CZ2 4.03Å
224	Y	90.7	Very high	82.6	Confident	53 Å²	53	63.9 Å²	63.9	21%	0.208	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.4	170.8	-69.4	-93.3	0	0	0	109.1	K222 S226 S234 K236 V238 D282	K222-Y224 HydrophobicContact CB-CE2 3.93Å; K222-Y224 HydrophobicContact CD-CE2 4.22Å; K222-Y224 HydrophobicContact CG-CE2 4.01Å; K222-Y224 VanDerWaalsContact O-CD2 3.29Å; K222-Y224 WeakPolarHBondContact O-CD2 3.16Å; K222-Y224 WeakPolarHBondContact O-CE2 3.4Å; Y224-S226 PolarHBondContact O-N 3.27Å; Y224-S234 PolarHBondContact N-O 3.14Å; Y224-K236 HydrophobicContact CD2-CB 4.19Å; Y224-K236 HydrophobicContact CD2-CD 4.03Å; Y224-K236 HydrophobicContact CD2-CG 4.06Å; Y224-K236 HydrophobicContact CE2-CB 3.82Å; Y224-K236 HydrophobicContact CE2-CD 4.01Å; Y224-K236 HydrophobicContact CE2-CG 4.11Å; Y224-V238 HydrophobicContact CE2-CG1 4.24Å; Y224-V238 WeakPolarHBondContact OH-CG1 3.14Å; Y224-D282 PolarHBondContact OH-OD1 2.78Å; Y224-D282 VanDerWaalsContact OH-OD1 3.1Å
225	P	79.4	Confident	82.5	Confident	116 Å²	116	61.7 Å²	61.7	75%	0.753	34%	0.343	S	S	*	.			trans	-53.3	140.6	170.3	-22.8	32.6	0	0	0	110.6	E227	P225-E227 PolarHBondContact O-N 3.32Å
226	S	72.5	Confident	82.4	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	36%	0.355	S	S	.	.			trans	-57.4	126.9	172.8	172.4	0	0	0	0	109.8	Y224 N228 G231	Y224-S226 PolarHBondContact O-N 3.27Å; S226-N228 PolarHBondContact O-N 3.29Å; S226-G231 VanDerWaalsContact CB-O 3.28Å; S226-G231 WeakPolarHBondContact CB-O 3.3Å; S226-G231 PolarHBondContact OG-O 3.14Å
227	E	63.1	Low	82.4	Confident	160 Å²	160	60.7 Å²	60.7	75%	0.748	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	-175.1	-68.4	180	-179.4	0	0	112.9	P225 K236	P225-E227 PolarHBondContact O-N 3.32Å; E227-K236 IonicContact OE1-NZ 3.72Å
228	N	55.1	Low	82.3	Confident	140 Å²	140	60.9 Å²	60.9	75%	0.749	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	4.5	-171.8	-67.6	-26.4	0	0	0	115.7	S226 Q230	S226-N228 PolarHBondContact O-N 3.29Å; N228-Q230 PolarHBondContact O-N 2.86Å
229	G	52.8	Low	82.3	Confident	76 Å²	76	61.9 Å²	61.9	78%	0.784	35%	0.354	S	S	*	.	S	Bend	trans	64.2	-0.4	179.5	0	0	0	0	0	115.6
230	Q	51.5	Low	82.3	Confident	175 Å²	175	63.4 Å²	63.4	82%	0.818	37%	0.366	S	S	*	.	S	Bend	trans	-140.2	120.9	170.2	-74.5	-178.3	-16.5	0	0	106.7	N228	N228-Q230 PolarHBondContact O-N 2.86Å
231	G	55.6	Low	82.3	Confident	52 Å²	52	63.7 Å²	63.7	54%	0.536	37%	0.367	S	S	.	.	S	Bend	trans	101.5	125.5	165.6	0	0	0	0	0	115.9	S226	S226-G231 VanDerWaalsContact CB-O 3.28Å; S226-G231 WeakPolarHBondContact CB-O 3.3Å; S226-G231 PolarHBondContact OG-O 3.14Å
232	N	63.5	Low	82.3	Confident	104 Å²	104	67 Å²	67	56%	0.556	39%	0.391	S	S	*	.			trans	53.4	127.6	160.7	-60.9	18.2	0	0	0	118.1	Q187 S234	Q187-N232 WeakPolarHBondContact O-CB 3.39Å; Q187-N232 PolarHBondContact O-ND2 3.47Å; N232-S234 PolarHBondContact O-N 3.29Å
233	L	78.3	Confident	82.3	Confident	41 Å²	41	69.4 Å²	69.4	22%	0.215	43%	0.425	C	S	.	.			trans	-60.6	129	170.4	-64.5	173.1	0	0	0	110	L164 I176 Q187 A188 E223	L164-L233 HydrophobicContact CD1-CD1 3.35Å; L164-L233 HydrophobicContact CD2-CD1 4.19Å; L164-L233 HydrophobicContact CG-CD1 4.4Å; I176-L233 HydrophobicContact CG2-CD1 3.9Å; Q187-L233 HydrophobicContact CB-CD1 4.37Å; Q187-L233 HydrophobicContact CB-CG 4.46Å; A188-L233 WeakPolarHBondContact CB-O 3.38Å; E223-L233 WeakPolarHBondContact OE1-CD2 3.38Å
234	S	89.3	Confident	82.5	Confident	36 Å²	36	72 Å²	72	25%	0.252	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	175.1	-168.5	0	0	0	0	109.7	E223 Y224 N232	E223-S234 CarbonylContact C-O 3.55Å; E223-S234 WeakPolarHBondContact CA-O 3.43Å; Y224-S234 PolarHBondContact N-O 3.14Å; N232-S234 PolarHBondContact O-N 3.29Å
235	W	95.7	Very high	82.9	Confident	20 Å²	20	70 Å²	70	8%	0.076	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.3	173.2	-72.8	80.4	0	0	0	109.5	L164 L190 F202 M209 W221 K222 E223	L164-W235 HydrophobicContact CD2-CZ2 4.33Å; L190-W235 HydrophobicContact CD1-CB 3.78Å; L190-W235 HydrophobicContact CD1-CG 4.18Å; L190-W235 HydrophobicContact CD2-CB 3.68Å; L190-W235 HydrophobicContact CD2-CG 4.13Å; L190-W235 HydrophobicContact CG-CB 3.67Å; L190-W235 HydrophobicContact CG-CG 4.41Å; F202-W235 HydrophobicContact CD1-CH2 4.27Å; F202-W235 AromaticContact CE1-CH2 3.73Å; F202-W235 HydrophobicContact CE1-CH2 3.73Å; F202-W235 HydrophobicContact CE1-CZ2 4.11Å; M209-W235 HydrophobicContact CB-CZ3 3.98Å; W221-W235 HydrophobicContact CB-CE3 3.82Å; W221-W235 HydrophobicContact CB-CZ3 4.4Å; K222-W235 WeakPolarHBondContact O-CA 3.29Å; E223-W235 HydrophobicContact CB-CD2 4.16Å; E223-W235 HydrophobicContact CB-CE3 4.29Å; E223-W235 HydrophobicContact CB-CH2 3.86Å; E223-W235 HydrophobicContact CB-CZ2 3.71Å; E223-W235 HydrophobicContact CB-CZ3 4.16Å; E223-W235 HydrophobicContact CG-CZ2 4.03Å
236	K	96.9	Very high	83.8	Confident	93 Å²	93	66.5 Å²	66.5	40%	0.404	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140	178.2	-59.9	177.2	-179.1	169.6	0	110.4	W221 K222 Y224 E227 V238	W221-K236 CarbonylContact C-O 3.54Å; W221-K236 VanDerWaalsContact CA-O 3.3Å; W221-K236 WeakPolarHBondContact CA-O 3.41Å; K222-K236 PolarHBondContact N-O 2.77Å; K222-K236 PolarHBondContact O-N 3.11Å; Y224-K236 HydrophobicContact CD2-CB 4.19Å; Y224-K236 HydrophobicContact CD2-CD 4.03Å; Y224-K236 HydrophobicContact CD2-CG 4.06Å; Y224-K236 HydrophobicContact CE2-CB 3.82Å; Y224-K236 HydrophobicContact CE2-CD 4.01Å; Y224-K236 HydrophobicContact CE2-CG 4.11Å; E227-K236 IonicContact OE1-NZ 3.72Å; K236-V238 PolarHBondContact O-N 3.32Å
237	C	98.4	Very high	85	Confident	49 Å²	49	71.7 Å²	71.7	33%	0.331	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	110.8	169.5	-171.8	0	0	0	0	108.2	I220 W221	I220-C237 CarbonylContact O-C 3.57Å; I220-C237 WeakPolarHBondContact O-CA 3.32Å; W221-C237 HydrophobicContact CD2-CB 4.38Å; W221-C237 HydrophobicContact CE3-CB 3.75Å; W221-C237 HydrophobicContact CH2-CB 4.13Å; W221-C237 HydrophobicContact CZ3-CB 3.62Å
238	V	98.4	Very high	86.7	Confident	23 Å²	23	64.4 Å²	64.4	14%	0.139	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-16.3	-177.7	-67.5	0	0	0	0	112.7	I220 K222 Y224 K236 D282 P284	I220-V238 HydrophobicContact CB-CG2 4.26Å; I220-V238 HydrophobicContact CG2-CG2 4.01Å; I220-V238 WeakPolarHBondContact O-CG2 3.46Å; I220-V238 PolarHBondContact O-N 3.29Å; K222-V238 HydrophobicContact CB-CG1 3.82Å; K222-V238 HydrophobicContact CB-CG2 3.97Å; K222-V238 HydrophobicContact CD-CG1 4.43Å; Y224-V238 HydrophobicContact CE2-CG1 4.24Å; Y224-V238 WeakPolarHBondContact OH-CG1 3.14Å; K236-V238 PolarHBondContact O-N 3.32Å; V238-D282 WeakPolarHBondContact CB-O 3.16Å; V238-P284 HydrophobicContact CB-CG 4.38Å; V238-P284 HydrophobicContact CG2-CG 3.8Å
239	C	98.6	Very high	88.8	Confident	20 Å²	20	57.7 Å²	57.7	14%	0.135	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144	175.6	-178	0	0	0	0	111.1	K219 I220 P284	K219-C239 WeakPolarHBondContact CA-O 3.18Å; I220-C239 HydrophobicContact CB-CB 3.99Å; I220-C239 HydrophobicContact CG1-CB 4.01Å; I220-C239 PolarHBondContact N-O 3.29Å; I220-C239 PolarHBondContact O-N 3.17Å; C239-P284 HydrophobicContact CB-CG 3.93Å; C239-P284 WeakPolarHBondContact CB-O 3.48Å; C239-P284 PolarHBondContact SG-O 2.93Å
240	T	98.8	Very high	91	Very high	56 Å²	56	56.5 Å²	56.5	34%	0.344	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	113.1	171.6	-63.7	0	0	0	0	109.4	T217 K219 S242	T217-T240 HydrophobicContact CG2-CG2 4.17Å; K219-T240 HydrophobicContact CG-CG2 4.22Å; K219-T240 PolarHBondContact NZ-OG1 3.2Å; T240-S242 PolarHBondContact O-N 3.14Å
241	L	98.8	Very high	93.3	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.1	172.1	-49.8	-177.2	0	0	0	108.5	T217 V218 Y244 L261 F273 F286	T217-L241 VanDerWaalsContact CA-O 3.3Å; T217-L241 WeakPolarHBondContact CA-O 3.46Å; T217-L241 WeakPolarHBondContact CB-O 3.3Å; V218-L241 HydrophobicContact CB-CB 4.23Å; V218-L241 HydrophobicContact CB-CD1 4.28Å; V218-L241 HydrophobicContact CB-CG 4.48Å; V218-L241 HydrophobicContact CG1-CD1 4.38Å; V218-L241 PolarHBondContact N-O 2.77Å; V218-L241 VanDerWaalsContact N-O 3.13Å; V218-L241 PolarHBondContact O-N 2.88Å; L241-Y244 HydrophobicContact CB-CD2 4.25Å; L241-L261 HydrophobicContact CD1-CD2 4.37Å; L241-F273 HydrophobicContact CD1-CD1 4.06Å; L241-F273 HydrophobicContact CD1-CE1 4.35Å; L241-F273 HydrophobicContact CD1-CG 4.16Å; L241-F286 HydrophobicContact CD1-CB 4.03Å; L241-F286 HydrophobicContact CD1-CG 4.43Å; L241-F286 HydrophobicContact CD2-CB 3.73Å; L241-F286 HydrophobicContact CD2-CG 4.42Å
242	S	98.4	Very high	95.3	Very high	74 Å²	74	46.1 Å²	46.1	52%	0.517	27%	0.265	S	S	.	.			trans	-124.8	151.7	-177.1	58.9	0	0	0	0	111.2	T240 Y244	T240-S242 PolarHBondContact O-N 3.14Å; S242-Y244 VanDerWaalsContact C-N 3.29Å; S242-Y244 WeakPolarHBondContact O-CD2 3.41Å; S242-Y244 PolarHBondContact O-N 3.12Å
243	G	98.3	Very high	97	Very high	83 Å²	83	41.8 Å²	41.8	86%	0.856	24%	0.244	S	C	*	.	S	Bend	trans	80.6	-0.5	179.4	0	0	0	0	0	115.6
244	Y	98.6	Very high	98	Very high	91 Å²	91	40.3 Å²	40.3	36%	0.357	24%	0.236	S	C	.	.	S	Bend	trans	-88.8	-21.9	179.7	-67.9	-79.5	0	0	0	114.1	L241 S242 R271 F273 L288	L241-Y244 HydrophobicContact CB-CD2 4.25Å; S242-Y244 VanDerWaalsContact C-N 3.29Å; S242-Y244 WeakPolarHBondContact O-CD2 3.41Å; S242-Y244 PolarHBondContact O-N 3.12Å; Y244-R271 PolarHBondContact O-NE 3.33Å; Y244-R271 PolarHBondContact O-NH2 2.88Å; Y244-F273 AromaticContact CD1-CE1 3.83Å; Y244-F273 HydrophobicContact CD1-CE1 3.83Å; Y244-F273 HydrophobicContact CD1-CZ 4.34Å; Y244-F273 HydrophobicContact CD2-CE1 4Å; Y244-F273 HydrophobicContact CD2-CZ 4.49Å; Y244-F273 HydrophobicContact CE1-CE1 4.19Å; Y244-F273 HydrophobicContact CE2-CE1 4.35Å; Y244-F273 AromaticContact CG-CE1 3.72Å; Y244-F273 HydrophobicContact CG-CE1 3.72Å; Y244-F273 HydrophobicContact CG-CZ 4Å; Y244-L288 HydrophobicContact CD1-CB 4.02Å; Y244-L288 HydrophobicContact CD1-CD2 4.17Å; Y244-L288 HydrophobicContact CE1-CB 3.8Å
245	H	98.8	Very high	98.4	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	22%	0.224	C	C	.	.			trans	-118.4	131.4	-171.8	-56.4	84.6	0	0	0	111.3	R216 V249 T263 F273	R216-H245 HydrophobicContact CB-CB 4.31Å; H245-V249 HydrophobicContact CB-CG2 3.75Å; H245-V249 VanDerWaalsContact CD2-CG2 3.43Å; H245-V249 WeakPolarHBondContact CD2-CG2 3.48Å; H245-V249 VanDerWaalsContact CG-CG2 3.45Å; H245-T263 PolarHBondContact NE2-OG1 2.83Å; H245-F273 AromaticContact CE1-CZ 3.81Å
246	G	97.9	Very high	98.6	Very high	41 Å²	41	41.9 Å²	41.9	42%	0.423	24%	0.24	S	C	.	.	S	Bend	trans	-82.8	-20.5	-178.3	0	0	0	0	0	113.9	R216 D267	R216-G246 PolarHBondContact NH1-O 3.25Å; G246-D267 PolarHBondContact N-OD2 2.78Å
247	R	98.8	Very high	98.6	Very high	154 Å²	154	41.7 Å²	41.7	58%	0.581	24%	0.243	S	C	*	.	S	Bend	trans	-141.6	-176.7	-176.2	-72.9	176.6	176.4	-97.5	2.5	110.2	R216 C265 G266 D267	R216-R247 WeakPolarHBondContact CG-O 3.33Å; R247-C265 PolarHBondContact O-SG 2.79Å; R247-C265 VanDerWaalsContact O-SG 3.33Å; R247-G266 VanDerWaalsContact CD-C 3.49Å; R247-G266 WeakPolarHBondContact CD-O 3.47Å; R247-D267 HydrophobicContact CB-CB 4.26Å; R247-D267 HydrophobicContact CG-CB 4.3Å
248	A	98.8	Very high	98.6	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	25%	0.245	C	C	.	.			trans	-51.2	140.5	176	0	0	0	0	0	111.7	D214 Y250 C265 G266	D214-A248 HydrophobicContact CB-CB 4.38Å; D214-A248 WeakPolarHBondContact OD1-CB 3.47Å; A248-Y250 HydrophobicContact CB-CD1 4.38Å; A248-Y250 HydrophobicContact CB-CE1 3.79Å; A248-C265 WeakPolarHBondContact O-CA 3.27Å; A248-C265 PolarHBondContact O-SG 3.11Å; A248-G266 PolarHBondContact O-N 3.48Å
249	V	98.9	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.1	173.5	-169.5	0	0	0	0	107.7	C212 S213 V218 H245 T263 A264	C212-V249 HydrophobicContact CB-CB 3.79Å; C212-V249 HydrophobicContact CB-CG1 3.52Å; C212-V249 PolarHBondContact SG-O 3.06Å; S213-V249 PolarHBondContact O-N 2.81Å; S213-V249 VanDerWaalsContact O-N 3.08Å; V218-V249 HydrophobicContact CG2-CG1 4.41Å; H245-V249 HydrophobicContact CB-CG2 3.75Å; H245-V249 VanDerWaalsContact CD2-CG2 3.43Å; H245-V249 WeakPolarHBondContact CD2-CG2 3.48Å; H245-V249 VanDerWaalsContact CG-CG2 3.45Å; V249-T263 HydrophobicContact CG1-CG2 4.26Å; V249-A264 CarbonylContact C-O 3.59Å; V249-A264 WeakPolarHBondContact CG1-O 3.31Å
250	Y	98.9	Very high	98.5	Very high	51 Å²	51	41.8 Å²	41.8	20%	0.2	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-25.7	-171	-67.4	-54.7	0	0	0	113.6	W198 A248 A264 D299	W198-Y250 WeakPolarHBondContact CB-O 3.06Å; W198-Y250 AromaticContact CD1-CD1 3.99Å; W198-Y250 AromaticContact CD2-CD1 3.82Å; W198-Y250 HydrophobicContact CD2-CD1 3.82Å; W198-Y250 HydrophobicContact CD2-CE1 4.26Å; W198-Y250 AromaticContact CE2-CD1 3.77Å; W198-Y250 AromaticContact CE2-CE1 3.73Å; W198-Y250 HydrophobicContact CE3-CD1 4.37Å; W198-Y250 AromaticContact CG-CD1 3.99Å; W198-Y250 HydrophobicContact CG-CD1 3.99Å; W198-Y250 HydrophobicContact CH2-CE1 4.49Å; W198-Y250 HydrophobicContact CZ2-CD1 4.28Å; W198-Y250 AromaticContact CZ2-CE1 3.88Å; W198-Y250 HydrophobicContact CZ2-CE1 3.88Å; W198-Y250 AromaticContact NE1-CD1 3.85Å; W198-Y250 AromaticContact NE1-CE1 3.84Å; A248-Y250 HydrophobicContact CB-CD1 4.38Å; A248-Y250 HydrophobicContact CB-CE1 3.79Å; Y250-A264 PolarHBondContact N-O 3.25Å; Y250-D299 HydrophobicContact CE2-CB 4.07Å; Y250-D299 WeakPolarHBondContact CE2-OD2 3.38Å; Y250-D299 PolarHBondContact OH-OD2 2.58Å
251	D	99	Very high	98.5	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.5	179.3	-155.7	30.7	0	0	0	112.5	K66 S199 C212 T263 A264 C302 V303	K66-D251 IonicContact NZ-OD1 2.56Å; S199-D251 VanDerWaalsContact CB-OD1 3.23Å; S199-D251 WeakPolarHBondContact CB-OD1 2.98Å; S199-D251 PolarHBondContact OG-OD1 3.36Å; C212-D251 VanDerWaalsContact SG-C 3.57Å; D251-T263 CarbonylContact O-C 3.48Å; D251-T263 WeakPolarHBondContact O-CA 3.32Å; D251-A264 HydrophobicContact CB-CB 4.01Å; D251-A264 PolarHBondContact N-O 3.29Å; D251-A264 PolarHBondContact O-N 2.9Å; D251-C302 VanDerWaalsContact OD2-CA 3.26Å; D251-C302 WeakPolarHBondContact OD2-CA 3.3Å; D251-C302 PolarHBondContact OD2-SG 3.3Å; D251-V303 HydrophobicContact CB-CG2 4.33Å; D251-V303 PolarHBondContact OD2-N 3.03Å
252	V	98.9	Very high	98.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.5	177.8	61.2	0	0	0	0	109.2	C201 A210 C212 V218 L261 A262 T263	C201-V252 PolarHBondContact SG-O 2.67Å; A210-V252 HydrophobicContact CB-CG2 4.03Å; C212-V252 HydrophobicContact CB-CB 3.95Å; C212-V252 HydrophobicContact CB-CG1 3.96Å; V218-V252 HydrophobicContact CG1-CG2 4.41Å; V252-L261 HydrophobicContact CG2-CD1 3.54Å; V252-L261 HydrophobicContact CG2-CD2 4.47Å; V252-L261 HydrophobicContact CG2-CG 4Å; V252-A262 CarbonylContact C-O 3.49Å; V252-A262 VanDerWaalsContact CA-O 3.31Å; V252-A262 WeakPolarHBondContact CA-O 3.14Å; V252-T263 HydrophobicContact CG2-CG2 4.3Å
253	A	98.9	Very high	98.6	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.2	-179.9	0	0	0	0	0	111.3	A262 V303 W305	A253-A262 PolarHBondContact N-O 2.9Å; A253-A262 PolarHBondContact O-N 3.43Å; A253-V303 HydrophobicContact CB-CG2 4.09Å; A253-V303 WeakPolarHBondContact CB-O 3.15Å; A253-W305 VanDerWaalsContact O-CD1 3.29Å; A253-W305 PolarHBondContact O-NE1 3.09Å
254	W	98.8	Very high	98.6	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.1	175.6	-146.8	-28.7	0	0	0	109.9	C201 D203 R208 A210 I220 Q256 G259 L261 F286	C201-W254 PolarHBondContact SG-N 3.06Å; D203-W254 HydrophobicContact CB-CD2 3.74Å; D203-W254 HydrophobicContact CB-CE3 3.79Å; D203-W254 HydrophobicContact CB-CG 4.33Å; D203-W254 HydrophobicContact CB-CH2 4.09Å; D203-W254 HydrophobicContact CB-CZ2 4.05Å; D203-W254 HydrophobicContact CB-CZ3 3.97Å; R208-W254 HydrophobicContact CB-CH2 4.19Å; R208-W254 HydrophobicContact CB-CZ3 4.2Å; A210-W254 HydrophobicContact CB-CE3 3.67Å; A210-W254 HydrophobicContact CB-CZ3 3.9Å; I220-W254 HydrophobicContact CD1-CH2 4.01Å; I220-W254 HydrophobicContact CD1-CZ3 3.96Å; I220-W254 HydrophobicContact CG2-CH2 3.89Å; I220-W254 HydrophobicContact CG2-CZ3 4.18Å; W254-Q256 PolarHBondContact O-N 2.89Å; W254-Q256 PolarHBondContact O-NE2 3Å; W254-G259 PolarHBondContact NE1-O 3.31Å; W254-L261 HydrophobicContact CB-CD1 3.81Å; W254-L261 HydrophobicContact CD2-CD1 3.87Å; W254-L261 HydrophobicContact CE3-CD1 4.15Å; W254-L261 HydrophobicContact CG-CD1 3.75Å; W254-F286 HydrophobicContact CH2-CE1 4.41Å; W254-F286 AromaticContact CH2-CZ 3.86Å; W254-F286 HydrophobicContact CH2-CZ 3.86Å; W254-F286 AromaticContact CZ2-CE1 3.83Å; W254-F286 HydrophobicContact CZ2-CE1 3.83Å; W254-F286 AromaticContact CZ2-CZ 3.6Å; W254-F286 HydrophobicContact CZ2-CZ 3.6Å
255	C	98.7	Very high	98.6	Very high	2 Å²	2	27 Å²	27	1%	0.014	15%	0.148	C	C	.	.			trans	-66.4	116	-177.2	-174.2	0	0	0	0	110.8	L257 T258 G259 A260 W305	C255-L257 PolarHBondContact O-N 3.19Å; C255-T258 VanDerWaalsContact CB-OG1 3.3Å; C255-T258 WeakPolarHBondContact CB-OG1 3.35Å; C255-T258 PolarHBondContact O-N 2.84Å; C255-T258 PolarHBondContact SG-OG1 2.7Å; C255-G259 WeakPolarHBondContact O-CA 3.45Å; C255-G259 PolarHBondContact O-N 2.85Å; C255-A260 HydrophobicContact CB-CB 4.29Å; C255-A260 VanDerWaalsContact CB-O 3.28Å; C255-A260 WeakPolarHBondContact CB-O 3.46Å; C255-A260 PolarHBondContact N-O 3.29Å; C255-W305 HydrophobicContact CB-CB 4.14Å; C255-W305 HydrophobicContact CB-CD2 3.78Å; C255-W305 HydrophobicContact CB-CG 3.58Å
256	Q	98.1	Very high	98.6	Very high	86 Å²	86	26.5 Å²	26.5	40%	0.402	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.7	-179	-54.7	-61.7	-60.4	0	0	113.5	F202 W254	F202-Q256 PolarHBondContact O-NE2 2.9Å; W254-Q256 PolarHBondContact O-N 2.89Å; W254-Q256 PolarHBondContact O-NE2 3Å
257	L	98	Very high	98.6	Very high	90 Å²	90	26.2 Å²	26.2	47%	0.471	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-32.6	-179.9	-60.2	-179.4	0	0	0	113.5	C255 A310	C255-L257 PolarHBondContact O-N 3.19Å; L257-A310 HydrophobicContact CB-CB 4.49Å; L257-A310 HydrophobicContact CD1-CB 4.26Å
258	T	97.4	Very high	98.6	Very high	61 Å²	61	21.1 Å²	21.1	37%	0.374	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-12.3	-167.2	66.8	0	0	0	0	114.1	C255 A260 A310	C255-T258 VanDerWaalsContact CB-OG1 3.3Å; C255-T258 WeakPolarHBondContact CB-OG1 3.35Å; C255-T258 PolarHBondContact O-N 2.84Å; C255-T258 PolarHBondContact SG-OG1 2.7Å; T258-A260 PolarHBondContact O-N 2.8Å; T258-A260 WeakPolarHBondContact OG1-CB 3.31Å; T258-A260 PolarHBondContact OG1-N 3.36Å; T258-A310 HydrophobicContact CG2-CB 3.82Å
259	G	97.7	Very high	98.6	Very high	33 Å²	33	20.9 Å²	20.9	34%	0.34	12%	0.117	S	C	.	.			trans	71.9	0.8	-172.7	0	0	0	0	0	114.6	W254 C255	W254-G259 PolarHBondContact NE1-O 3.31Å; C255-G259 WeakPolarHBondContact O-CA 3.45Å; C255-G259 PolarHBondContact O-N 2.85Å
260	A	98.3	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.			trans	-66.5	135.8	175	0	0	0	0	0	111.3	C255 T258 V272 W305 F327	C255-A260 HydrophobicContact CB-CB 4.29Å; C255-A260 VanDerWaalsContact CB-O 3.28Å; C255-A260 WeakPolarHBondContact CB-O 3.46Å; C255-A260 PolarHBondContact N-O 3.29Å; T258-A260 PolarHBondContact O-N 2.8Å; T258-A260 WeakPolarHBondContact OG1-CB 3.31Å; T258-A260 PolarHBondContact OG1-N 3.36Å; A260-V272 HydrophobicContact CB-CG1 3.95Å; A260-W305 HydrophobicContact CB-CH2 4.34Å; A260-W305 HydrophobicContact CB-CZ2 3.94Å; A260-W305 PolarHBondContact O-NE1 3.04Å; A260-F327 HydrophobicContact CB-CD1 4.4Å; A260-F327 HydrophobicContact CB-CE1 3.95Å
261	L	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.4	-177.5	-173.7	69.4	0	0	0	110	A210 V218 I220 L241 V252 W254 V272 F273 F286	A210-L261 HydrophobicContact CB-CD1 3.71Å; A210-L261 HydrophobicContact CB-CD2 4.22Å; V218-L261 HydrophobicContact CG1-CD2 4.1Å; I220-L261 HydrophobicContact CD1-CD2 4.02Å; L241-L261 HydrophobicContact CD1-CD2 4.37Å; V252-L261 HydrophobicContact CG2-CD1 3.54Å; V252-L261 HydrophobicContact CG2-CD2 4.47Å; V252-L261 HydrophobicContact CG2-CG 4Å; W254-L261 HydrophobicContact CB-CD1 3.81Å; W254-L261 HydrophobicContact CD2-CD1 3.87Å; W254-L261 HydrophobicContact CE3-CD1 4.15Å; W254-L261 HydrophobicContact CG-CD1 3.75Å; L261-V272 CarbonylContact O-C 3.56Å; L261-V272 VanDerWaalsContact O-CA 3.32Å; L261-V272 WeakPolarHBondContact O-CA 3.44Å; L261-F273 HydrophobicContact CB-CB 4.33Å; L261-F273 PolarHBondContact N-O 2.87Å; L261-F273 PolarHBondContact O-N 2.83Å; L261-F286 HydrophobicContact CD2-CD1 4.49Å; L261-F286 HydrophobicContact CD2-CE1 4.46Å
262	A	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	148.7	177.8	0	0	0	0	0	111.5	V252 A253 R271 V272 V303 W305 L313	V252-A262 CarbonylContact C-O 3.49Å; V252-A262 VanDerWaalsContact CA-O 3.31Å; V252-A262 WeakPolarHBondContact CA-O 3.14Å; A253-A262 PolarHBondContact N-O 2.9Å; A253-A262 PolarHBondContact O-N 3.43Å; A262-R271 CarbonylContact C-O 3.58Å; A262-R271 VanDerWaalsContact CA-O 3.23Å; A262-R271 WeakPolarHBondContact CA-O 3.4Å; A262-V272 HydrophobicContact CB-CG2 4.42Å; A262-V303 HydrophobicContact CB-CB 4.18Å; A262-V303 HydrophobicContact CB-CG1 4.47Å; A262-V303 HydrophobicContact CB-CG2 4.13Å; A262-W305 HydrophobicContact CB-CZ2 3.72Å; A262-L313 HydrophobicContact CB-CD1 4.11Å; A262-L313 HydrophobicContact CB-CD2 4.21Å
263	T	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.8	173.4	66.5	0	0	0	0	111.9	V218 H245 V249 D251 V252 V270 R271 F273	V218-T263 HydrophobicContact CG2-CG2 3.78Å; H245-T263 PolarHBondContact NE2-OG1 2.83Å; V249-T263 HydrophobicContact CG1-CG2 4.26Å; D251-T263 CarbonylContact O-C 3.48Å; D251-T263 WeakPolarHBondContact O-CA 3.32Å; V252-T263 HydrophobicContact CG2-CG2 4.3Å; T263-V270 WeakPolarHBondContact O-CA 3.4Å; T263-R271 PolarHBondContact N-O 3.2Å; T263-R271 PolarHBondContact O-N 3.34Å; T263-F273 HydrophobicContact CG2-CD2 4.36Å; T263-F273 HydrophobicContact CG2-CE2 3.95Å
264	A	98.9	Very high	98.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.3	168.5	0	0	0	0	0	109.9	V249 Y250 D251 A300 V303	V249-A264 CarbonylContact C-O 3.59Å; V249-A264 WeakPolarHBondContact CG1-O 3.31Å; Y250-A264 PolarHBondContact N-O 3.25Å; D251-A264 HydrophobicContact CB-CB 4.01Å; D251-A264 PolarHBondContact N-O 3.29Å; D251-A264 PolarHBondContact O-N 2.9Å; A264-A300 HydrophobicContact CB-CB 3.9Å; A264-A300 WeakPolarHBondContact CB-O 3.16Å; A264-V303 HydrophobicContact CB-CB 4.48Å; A264-V303 HydrophobicContact CB-CG1 3.96Å; A264-V303 HydrophobicContact CB-CG2 4.09Å
265	C	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.1	-173.4	-171.4	0	0	0	0	112	R247 A248 D267 D268 A269 A300	R247-C265 PolarHBondContact O-SG 2.79Å; R247-C265 VanDerWaalsContact O-SG 3.33Å; A248-C265 WeakPolarHBondContact O-CA 3.27Å; A248-C265 PolarHBondContact O-SG 3.11Å; C265-D267 VanDerWaalsContact CB-OD1 3.22Å; C265-D267 WeakPolarHBondContact CB-OD1 3.29Å; C265-D267 PolarHBondContact O-N 2.96Å; C265-D267 VanDerWaalsContact O-N 3.12Å; C265-D267 PolarHBondContact SG-OD1 2.9Å; C265-D268 PolarHBondContact O-N 2.8Å; C265-A269 PolarHBondContact N-O 3.05Å; C265-A300 PolarHBondContact O-N 2.95Å; C265-A300 VanDerWaalsContact O-N 3.11Å
266	G	98.8	Very high	98.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	2.8	173.3	0	0	0	0	0	114.5	R247 A248 D268	R247-G266 VanDerWaalsContact CD-C 3.49Å; R247-G266 WeakPolarHBondContact CD-O 3.47Å; A248-G266 PolarHBondContact O-N 3.48Å; G266-D268 VanDerWaalsContact C-N 3.25Å
267	D	98.6	Very high	98.1	Very high	35 Å²	35	28.3 Å²	28.3	19%	0.187	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	26.1	168.4	66.9	8.7	0	0	0	112.7	G246 R247 C265 A269 R271	G246-D267 PolarHBondContact N-OD2 2.78Å; R247-D267 HydrophobicContact CB-CB 4.26Å; R247-D267 HydrophobicContact CG-CB 4.3Å; C265-D267 VanDerWaalsContact CB-OD1 3.22Å; C265-D267 WeakPolarHBondContact CB-OD1 3.29Å; C265-D267 PolarHBondContact O-N 2.96Å; C265-D267 VanDerWaalsContact O-N 3.12Å; C265-D267 PolarHBondContact SG-OD1 2.9Å; D267-A269 PolarHBondContact O-N 2.83Å; D267-A269 VanDerWaalsContact O-N 3.08Å; D267-A269 WeakPolarHBondContact OD1-CB 3.29Å; D267-A269 PolarHBondContact OD1-N 2.86Å; D267-R271 IonicContact OD1-CZ 3.24Å; D267-R271 IonicContact OD1-NH1 3.34Å; D267-R271 PolarHBondContact OD1-NH1 3.4Å; D267-R271 IonicContact OD1-NH2 2.67Å; D267-R271 IonicContact OD2-CZ 2.71Å; D267-R271 IonicContact OD2-NH1 2.66Å; D267-R271 PolarHBondContact OD2-NH1 2.9Å; D267-R271 IonicContact OD2-NH2 3.1Å; D267-R271 PolarHBondContact OD2-NH2 2.97Å
268	D	98.7	Very high	97.9	Very high	47 Å²	47	29.7 Å²	29.7	25%	0.251	17%	0.173	S	C	.	.	S	Bend	trans	64.2	4.4	178.2	-44.7	-25	0	0	0	115.2	C265 G266 A295 H296 Q298 D299	C265-D268 PolarHBondContact O-N 2.8Å; G266-D268 VanDerWaalsContact C-N 3.25Å; D268-A295 WeakPolarHBondContact O-CB 3.46Å; D268-A295 PolarHBondContact O-N 2.84Å; D268-H296 WeakPolarHBondContact CB-O 3.22Å; D268-H296 PolarHBondContact O-N 2.97Å; D268-H296 VanDerWaalsContact O-N 3.13Å; D268-Q298 VanDerWaalsContact OD1-CA 3.31Å; D268-Q298 WeakPolarHBondContact OD1-CA 3.37Å; D268-D299 PolarHBondContact OD1-N 2.9Å
269	A	98.7	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.008	17%	0.165	C	C	.	.			trans	-104.9	148.4	-170.4	0	0	0	0	0	113.8	C265 D267 A292	C265-A269 PolarHBondContact N-O 3.05Å; D267-A269 PolarHBondContact O-N 2.83Å; D267-A269 VanDerWaalsContact O-N 3.08Å; D267-A269 WeakPolarHBondContact OD1-CB 3.29Å; D267-A269 PolarHBondContact OD1-N 2.86Å; A269-A292 WeakPolarHBondContact CA-O 3.49Å; A269-A292 VanDerWaalsContact CB-O 3.26Å; A269-A292 WeakPolarHBondContact CB-O 3.42Å
270	V	98.8	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.7	166.5	173.5	0	0	0	0	108.2	L5 T263 Q291 A292 A295 A300 V303 L313	L5-V270 HydrophobicContact CD1-CB 4.44Å; L5-V270 HydrophobicContact CD1-CG1 3.9Å; T263-V270 WeakPolarHBondContact O-CA 3.4Å; V270-Q291 WeakPolarHBondContact O-CA 3.38Å; V270-A292 PolarHBondContact N-O 3.36Å; V270-A292 VanDerWaalsContact N-O 3.1Å; V270-A292 PolarHBondContact O-N 3.37Å; V270-A295 HydrophobicContact CB-CB 3.91Å; V270-A295 HydrophobicContact CG2-CB 3.64Å; V270-A300 HydrophobicContact CG2-CB 4.49Å; V270-V303 HydrophobicContact CG1-CG1 3.88Å; V270-V303 HydrophobicContact CG2-CG1 3.93Å; V270-L313 HydrophobicContact CG1-CD2 3.92Å
271	R	98.8	Very high	97.2	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.045	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.5	178.8	-64.8	165.7	179.1	83.3	-5.5	109.7	Y244 A262 T263 D267 F273 L288 Q291	Y244-R271 PolarHBondContact O-NE 3.33Å; Y244-R271 PolarHBondContact O-NH2 2.88Å; A262-R271 CarbonylContact C-O 3.58Å; A262-R271 VanDerWaalsContact CA-O 3.23Å; A262-R271 WeakPolarHBondContact CA-O 3.4Å; T263-R271 PolarHBondContact N-O 3.2Å; T263-R271 PolarHBondContact O-N 3.34Å; D267-R271 IonicContact OD1-CZ 3.24Å; D267-R271 IonicContact OD1-NH1 3.34Å; D267-R271 PolarHBondContact OD1-NH1 3.4Å; D267-R271 IonicContact OD1-NH2 2.67Å; D267-R271 IonicContact OD2-CZ 2.71Å; D267-R271 IonicContact OD2-NH1 2.66Å; D267-R271 PolarHBondContact OD2-NH1 2.9Å; D267-R271 IonicContact OD2-NH2 3.1Å; D267-R271 PolarHBondContact OD2-NH2 2.97Å; R271-F273 HydrophobicContact CB-CE2 3.77Å; R271-F273 HydrophobicContact CB-CZ 4.22Å; R271-L288 HydrophobicContact CB-CD1 3.76Å; R271-L288 HydrophobicContact CG-CD1 4.06Å; R271-Q291 HydrophobicContact CG-CB 4.23Å; R271-Q291 HydrophobicContact CG-CG 3.73Å
272	V	98.8	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.4	173.8	-177.2	0	0	0	0	109	L5 A260 L261 A262 V289 A290 W305 F327	L5-V272 HydrophobicContact CD1-CG2 3.96Å; L5-V272 HydrophobicContact CD2-CG2 4.06Å; L5-V272 HydrophobicContact CG-CG2 4.17Å; A260-V272 HydrophobicContact CB-CG1 3.95Å; L261-V272 CarbonylContact O-C 3.56Å; L261-V272 VanDerWaalsContact O-CA 3.32Å; L261-V272 WeakPolarHBondContact O-CA 3.44Å; A262-V272 HydrophobicContact CB-CG2 4.42Å; V272-V289 HydrophobicContact CB-CG2 4.25Å; V272-V289 HydrophobicContact CG1-CG2 3.96Å; V272-V289 WeakPolarHBondContact O-CG2 3.36Å; V272-V289 PolarHBondContact O-N 3.27Å; V272-A290 HydrophobicContact CB-CB 4.29Å; V272-A290 PolarHBondContact N-O 2.89Å; V272-A290 PolarHBondContact O-N 3.21Å; V272-W305 HydrophobicContact CG1-CH2 4.25Å; V272-W305 HydrophobicContact CG1-CZ2 4.03Å; V272-W305 HydrophobicContact CG2-CH2 4.09Å; V272-W305 HydrophobicContact CG2-CZ2 4.07Å; V272-F327 HydrophobicContact CB-CD2 4.41Å; V272-F327 HydrophobicContact CB-CE2 4.14Å; V272-F327 HydrophobicContact CG1-CD1 4.45Å; V272-F327 HydrophobicContact CG1-CD2 4.21Å; V272-F327 HydrophobicContact CG1-CE1 4.07Å; V272-F327 HydrophobicContact CG1-CE2 3.8Å; V272-F327 HydrophobicContact CG1-CZ 3.74Å; V272-F327 HydrophobicContact CG2-CD2 4.33Å
273	F	98.8	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150.1	176.7	-56.9	-98.3	0	0	0	110	L241 Y244 H245 L261 T263 R271 F286 S287 L288	L241-F273 HydrophobicContact CD1-CD1 4.06Å; L241-F273 HydrophobicContact CD1-CE1 4.35Å; L241-F273 HydrophobicContact CD1-CG 4.16Å; Y244-F273 AromaticContact CD1-CE1 3.83Å; Y244-F273 HydrophobicContact CD1-CE1 3.83Å; Y244-F273 HydrophobicContact CD1-CZ 4.34Å; Y244-F273 HydrophobicContact CD2-CE1 4Å; Y244-F273 HydrophobicContact CD2-CZ 4.49Å; Y244-F273 HydrophobicContact CE1-CE1 4.19Å; Y244-F273 HydrophobicContact CE2-CE1 4.35Å; Y244-F273 AromaticContact CG-CE1 3.72Å; Y244-F273 HydrophobicContact CG-CE1 3.72Å; Y244-F273 HydrophobicContact CG-CZ 4Å; H245-F273 AromaticContact CE1-CZ 3.81Å; L261-F273 HydrophobicContact CB-CB 4.33Å; L261-F273 PolarHBondContact N-O 2.87Å; L261-F273 PolarHBondContact O-N 2.83Å; T263-F273 HydrophobicContact CG2-CD2 4.36Å; T263-F273 HydrophobicContact CG2-CE2 3.95Å; R271-F273 HydrophobicContact CB-CE2 3.77Å; R271-F273 HydrophobicContact CB-CZ 4.22Å; F273-F286 HydrophobicContact CB-CB 4.32Å; F273-F286 HydrophobicContact CB-CD1 4.41Å; F273-S287 CarbonylContact C-O 3.52Å; F273-S287 WeakPolarHBondContact CA-O 3.39Å; F273-L288 HydrophobicContact CD1-CB 4.06Å; F273-L288 HydrophobicContact CD1-CD1 4.33Å; F273-L288 HydrophobicContact CE1-CB 3.87Å; F273-L288 HydrophobicContact CE1-CD1 3.95Å; F273-L288 HydrophobicContact CE2-CD1 4.36Å; F273-L288 HydrophobicContact CZ-CD1 3.96Å
274	K	97.6	Very high	96.7	Very high	60 Å²	60	43.7 Å²	43.7	26%	0.261	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.2	167.3	-81.2	-172.4	178.9	170.9	0	110.1	E3 F286 S287 V289 E329	E3-K274 WeakPolarHBondContact OE1-CD 3.42Å; E3-K274 WeakPolarHBondContact OE1-CE 3.03Å; E3-K274 IonicContact OE1-NZ 3.35Å; E3-K274 PolarHBondContact OE1-NZ 3.19Å; K274-F286 CarbonylContact O-C 3.53Å; K274-F286 VanDerWaalsContact O-CA 3.28Å; K274-F286 WeakPolarHBondContact O-CA 3.36Å; K274-S287 PolarHBondContact N-O 3.15Å; K274-S287 PolarHBondContact O-N 3.46Å; K274-V289 HydrophobicContact CB-CG1 4.01Å; K274-V289 HydrophobicContact CB-CG2 4.35Å; K274-V289 HydrophobicContact CG-CG1 4.37Å; K274-V289 HydrophobicContact CG-CG2 4.03Å; K274-E329 IonicContact NZ-OE1 3.86Å
275	E	97.5	Very high	96.6	Very high	49 Å²	49	47.3 Å²	47.3	23%	0.229	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	137.1	171.5	-169.8	170.2	-169.5	0	0	110.2	R208 V277 P284 V285 F286	R208-E275 IonicContact CZ-OE1 3.95Å; R208-E275 IonicContact CZ-OE2 2.89Å; R208-E275 VanDerWaalsContact CZ-OE2 3.27Å; R208-E275 IonicContact NH1-OE1 3.54Å; R208-E275 PolarHBondContact NH1-OE1 2.88Å; R208-E275 IonicContact NH1-OE2 3.36Å; R208-E275 PolarHBondContact NH1-OE2 3.25Å; R208-E275 IonicContact NH2-OE2 3.51Å; R208-E275 PolarHBondContact NH2-OE2 3.36Å; E275-V277 PolarHBondContact O-N 2.95Å; E275-P284 HydrophobicContact CG-CB 4.41Å; E275-P284 WeakPolarHBondContact OE1-CB 3.31Å; E275-V285 CarbonylContact C-O 3.59Å; E275-V285 WeakPolarHBondContact CA-O 3.48Å; E275-F286 HydrophobicContact CB-CD1 3.98Å; E275-F286 HydrophobicContact CB-CE1 3.67Å; E275-F286 HydrophobicContact CB-CE2 4.28Å; E275-F286 HydrophobicContact CB-CG 4.42Å; E275-F286 HydrophobicContact CB-CZ 3.82Å; E275-F286 HydrophobicContact CG-CD2 4.48Å; E275-F286 HydrophobicContact CG-CE1 4.31Å; E275-F286 HydrophobicContact CG-CE2 4.04Å; E275-F286 HydrophobicContact CG-CZ 3.95Å
276	D	96.2	Very high	96.6	Very high	68 Å²	68	47.6 Å²	47.6	36%	0.364	27%	0.269	S	S	.	.			trans	-72.7	108.1	165.3	-177.3	-11.8	0	0	0	108.6	T278 A279 V285	D276-T278 VanDerWaalsContact CG-OG1 3.32Å; D276-T278 PolarHBondContact O-N 3.16Å; D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 2.98Å; D276-T278 PolarHBondContact OD1-OG1 3.29Å; D276-T278 PolarHBondContact OD2-OG1 2.69Å; D276-A279 HydrophobicContact CB-CB 4.25Å; D276-A279 VanDerWaalsContact O-CB 3.29Å; D276-A279 WeakPolarHBondContact O-CB 3.31Å; D276-A279 PolarHBondContact O-N 3.28Å; D276-V285 HydrophobicContact CB-CB 4.3Å; D276-V285 PolarHBondContact N-O 3.11Å
277	V	92.1	Very high	96.6	Very high	138 Å²	138	50.4 Å²	50.4	84%	0.836	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.7	-178.5	-61.3	0	0	0	0	113.9	E275	E275-V277 PolarHBondContact O-N 2.95Å
278	T	94.6	Very high	96.5	Very high	119 Å²	119	51.7 Å²	51.7	73%	0.73	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.2	175.9	71.8	0	0	0	0	113	D276	D276-T278 VanDerWaalsContact CG-OG1 3.32Å; D276-T278 PolarHBondContact O-N 3.16Å; D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 2.98Å; D276-T278 PolarHBondContact OD1-OG1 3.29Å; D276-T278 PolarHBondContact OD2-OG1 2.69Å
279	A	94.2	Very high	96.5	Very high	24 Å²	24	50.7 Å²	50.7	20%	0.198	29%	0.291	C	S	.	.	S	Bend	trans	-70.1	157.2	177.8	0	0	0	0	0	111.8	D276 V285	D276-A279 HydrophobicContact CB-CB 4.25Å; D276-A279 VanDerWaalsContact O-CB 3.29Å; D276-A279 WeakPolarHBondContact O-CB 3.31Å; D276-A279 PolarHBondContact O-N 3.28Å; A279-V285 HydrophobicContact CB-CB 4.09Å; A279-V285 HydrophobicContact CB-CG2 4.03Å
280	S	93.8	Very high	96.4	Very high	58 Å²	58	51 Å²	51	41%	0.406	29%	0.293	S	S	.	.			trans	-63.5	135.3	174.4	177	0	0	0	0	110.3	D282 E283 P284	S280-D282 PolarHBondContact O-N 2.93Å; S280-D282 VanDerWaalsContact O-N 3.09Å; S280-D282 PolarHBondContact OG-N 2.79Å; S280-E283 CarbonylContact O-C 3.54Å; S280-E283 PolarHBondContact O-N 3.11Å; S280-P284 WeakPolarHBondContact O-CA 3.44Å; S280-P284 VanDerWaalsContact O-N 3.11Å
281	P	89.9	Confident	96.4	Very high	79 Å²	79	54.6 Å²	54.6	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.9	173.2	-24.8	35	0	0	0	114.8	K222	K222-P281 WeakPolarHBondContact CD-O 3.32Å; K222-P281 PolarHBondContact NZ-O 2.93Å; K222-P281 VanDerWaalsContact NZ-O 3.09Å
282	D	93.3	Very high	96.3	Very high	77 Å²	77	54.8 Å²	54.8	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-13.4	177.1	-61.1	-37.6	0	0	0	112.6	K222 Y224 V238 S280	K222-D282 IonicContact NZ-OD1 2.7Å; K222-D282 PolarHBondContact NZ-OD1 3.45Å; Y224-D282 PolarHBondContact OH-OD1 2.78Å; Y224-D282 VanDerWaalsContact OH-OD1 3.1Å; V238-D282 WeakPolarHBondContact CB-O 3.16Å; S280-D282 PolarHBondContact O-N 2.93Å; S280-D282 VanDerWaalsContact O-N 3.09Å; S280-D282 PolarHBondContact OG-N 2.79Å
283	E	95.8	Very high	96.1	Very high	146 Å²	146	59.3 Å²	59.3	68%	0.682	34%	0.341	S	S	*	.	S	Bend	trans	-138.4	61.1	175.4	-63.2	-177.6	172.3	0	0	109.4	S280	S280-E283 CarbonylContact O-C 3.54Å; S280-E283 PolarHBondContact O-N 3.11Å
284	P	97.7	Very high	96	Very high	4 Å²	4	67 Å²	67	3%	0.026	38%	0.375	C	S	.	.			trans	-70.5	141.8	-172.1	29.7	-35.1	0	0	0	110.9	V238 C239 E275 S280 F286	V238-P284 HydrophobicContact CB-CG 4.38Å; V238-P284 HydrophobicContact CG2-CG 3.8Å; C239-P284 HydrophobicContact CB-CG 3.93Å; C239-P284 WeakPolarHBondContact CB-O 3.48Å; C239-P284 PolarHBondContact SG-O 2.93Å; E275-P284 HydrophobicContact CG-CB 4.41Å; E275-P284 WeakPolarHBondContact OE1-CB 3.31Å; S280-P284 WeakPolarHBondContact O-CA 3.44Å; S280-P284 VanDerWaalsContact O-N 3.11Å; P284-F286 HydrophobicContact CB-CE2 3.98Å; P284-F286 HydrophobicContact CG-CE2 4.25Å
285	V	98.1	Very high	96	Very high	75 Å²	75	64.2 Å²	64.2	46%	0.455	36%	0.363	S	S	.	.			trans	-108.1	127.5	179.1	179.6	0	0	0	0	108.6	E275 D276 A279	E275-V285 CarbonylContact C-O 3.59Å; E275-V285 WeakPolarHBondContact CA-O 3.48Å; D276-V285 HydrophobicContact CB-CB 4.3Å; D276-V285 PolarHBondContact N-O 3.11Å; A279-V285 HydrophobicContact CB-CB 4.09Å; A279-V285 HydrophobicContact CB-CG2 4.03Å
286	F	98.3	Very high	96.1	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.1	172.3	-66.8	-111.6	0	0	0	110.3	I220 L241 W254 L261 F273 K274 E275 P284	I220-F286 HydrophobicContact CD1-CE2 4.25Å; I220-F286 HydrophobicContact CD1-CZ 4.18Å; I220-F286 HydrophobicContact CG1-CD2 4.26Å; I220-F286 HydrophobicContact CG1-CE2 3.74Å; I220-F286 HydrophobicContact CG1-CZ 4.14Å; L241-F286 HydrophobicContact CD1-CB 4.03Å; L241-F286 HydrophobicContact CD1-CG 4.43Å; L241-F286 HydrophobicContact CD2-CB 3.73Å; L241-F286 HydrophobicContact CD2-CG 4.42Å; W254-F286 HydrophobicContact CH2-CE1 4.41Å; W254-F286 AromaticContact CH2-CZ 3.86Å; W254-F286 HydrophobicContact CH2-CZ 3.86Å; W254-F286 AromaticContact CZ2-CE1 3.83Å; W254-F286 HydrophobicContact CZ2-CE1 3.83Å; W254-F286 AromaticContact CZ2-CZ 3.6Å; W254-F286 HydrophobicContact CZ2-CZ 3.6Å; L261-F286 HydrophobicContact CD2-CD1 4.49Å; L261-F286 HydrophobicContact CD2-CE1 4.46Å; F273-F286 HydrophobicContact CB-CB 4.32Å; F273-F286 HydrophobicContact CB-CD1 4.41Å; K274-F286 CarbonylContact O-C 3.53Å; K274-F286 VanDerWaalsContact O-CA 3.28Å; K274-F286 WeakPolarHBondContact O-CA 3.36Å; E275-F286 HydrophobicContact CB-CD1 3.98Å; E275-F286 HydrophobicContact CB-CE1 3.67Å; E275-F286 HydrophobicContact CB-CE2 4.28Å; E275-F286 HydrophobicContact CB-CG 4.42Å; E275-F286 HydrophobicContact CB-CZ 3.82Å; E275-F286 HydrophobicContact CG-CD2 4.48Å; E275-F286 HydrophobicContact CG-CE1 4.31Å; E275-F286 HydrophobicContact CG-CE2 4.04Å; E275-F286 HydrophobicContact CG-CZ 3.95Å; P284-F286 HydrophobicContact CB-CE2 3.98Å; P284-F286 HydrophobicContact CG-CE2 4.25Å
287	S	97.4	Very high	96.1	Very high	61 Å²	61	64.5 Å²	64.5	43%	0.427	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.8	177.1	-64.7	0	0	0	0	110.6	F273 K274 V289	F273-S287 CarbonylContact C-O 3.52Å; F273-S287 WeakPolarHBondContact CA-O 3.39Å; K274-S287 PolarHBondContact N-O 3.15Å; K274-S287 PolarHBondContact O-N 3.46Å; S287-V289 PolarHBondContact O-N 2.92Å
288	L	98	Very high	96.4	Very high	61 Å²	61	62.3 Å²	62.3	32%	0.319	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	116.7	169.4	177.5	68.4	0	0	0	108.9	Y244 R271 F273 A290 Q291	Y244-L288 HydrophobicContact CD1-CB 4.02Å; Y244-L288 HydrophobicContact CD1-CD2 4.17Å; Y244-L288 HydrophobicContact CE1-CB 3.8Å; R271-L288 HydrophobicContact CB-CD1 3.76Å; R271-L288 HydrophobicContact CG-CD1 4.06Å; F273-L288 HydrophobicContact CD1-CB 4.06Å; F273-L288 HydrophobicContact CD1-CD1 4.33Å; F273-L288 HydrophobicContact CE1-CB 3.87Å; F273-L288 HydrophobicContact CE1-CD1 3.95Å; F273-L288 HydrophobicContact CE2-CD1 4.36Å; F273-L288 HydrophobicContact CZ-CD1 3.96Å; L288-A290 WeakPolarHBondContact CD1-O 3.49Å; L288-Q291 HydrophobicContact CD1-CB 4.48Å
289	V	97.6	Very high	96.6	Very high	27 Å²	27	58.6 Å²	58.6	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-31.2	-174.9	-70.7	0	0	0	0	113.5	E3 V272 K274 S287 F327	E3-V289 HydrophobicContact CB-CB 4.15Å; E3-V289 WeakPolarHBondContact OE2-CB 3.3Å; E3-V289 WeakPolarHBondContact OE2-CG1 3.33Å; V272-V289 HydrophobicContact CB-CG2 4.25Å; V272-V289 HydrophobicContact CG1-CG2 3.96Å; V272-V289 WeakPolarHBondContact O-CG2 3.36Å; V272-V289 PolarHBondContact O-N 3.27Å; K274-V289 HydrophobicContact CB-CG1 4.01Å; K274-V289 HydrophobicContact CB-CG2 4.35Å; K274-V289 HydrophobicContact CG-CG1 4.37Å; K274-V289 HydrophobicContact CG-CG2 4.03Å; S287-V289 PolarHBondContact O-N 2.92Å; V289-F327 HydrophobicContact CG2-CE2 4.09Å; V289-F327 HydrophobicContact CG2-CZ 3.86Å
290	A	97.9	Very high	96.8	Very high	7 Å²	7	57.4 Å²	57.4	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.2	174.5	0	0	0	0	0	111.3	L5 V272 L288 F327	L5-A290 HydrophobicContact CG-CB 4.16Å; V272-A290 HydrophobicContact CB-CB 4.29Å; V272-A290 PolarHBondContact N-O 2.89Å; V272-A290 PolarHBondContact O-N 3.21Å; L288-A290 WeakPolarHBondContact CD1-O 3.49Å; A290-F327 HydrophobicContact CB-CD2 4.1Å; A290-F327 HydrophobicContact CB-CE2 3.8Å
291	Q	97.3	Very high	97.1	Very high	76 Å²	76	54.9 Å²	54.9	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	136.7	175.9	-179.7	173.6	3.9	0	0	111	V270 R271 L288 T293	V270-Q291 WeakPolarHBondContact O-CA 3.38Å; R271-Q291 HydrophobicContact CG-CB 4.23Å; R271-Q291 HydrophobicContact CG-CG 3.73Å; L288-Q291 HydrophobicContact CD1-CB 4.48Å; Q291-T293 HydrophobicContact CG-CG2 4Å
292	A	97.7	Very high	97.5	Very high	16 Å²	16	51.1 Å²	51.1	13%	0.132	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	101.7	162.7	0	0	0	0	0	108	L5 A269 V270 K294 A295 W325	L5-A292 HydrophobicContact CD1-CB 4.45Å; A269-A292 WeakPolarHBondContact CA-O 3.49Å; A269-A292 VanDerWaalsContact CB-O 3.26Å; A269-A292 WeakPolarHBondContact CB-O 3.42Å; V270-A292 PolarHBondContact N-O 3.36Å; V270-A292 VanDerWaalsContact N-O 3.1Å; V270-A292 PolarHBondContact O-N 3.37Å; A292-K294 VanDerWaalsContact C-N 3.25Å; A292-K294 PolarHBondContact O-N 3.22Å; A292-A295 HydrophobicContact CB-CB 3.96Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-W325 HydrophobicContact CB-CH2 3.89Å; A292-W325 HydrophobicContact CB-CZ3 4Å
293	T	95.6	Very high	97.8	Very high	94 Å²	94	47.6 Å²	47.6	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.1	-174.8	52	0	0	0	0	114.1	Q291	Q291-T293 HydrophobicContact CG-CG2 4Å
294	K	95.8	Very high	97.9	Very high	163 Å²	163	41.7 Å²	41.7	71%	0.709	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.3	58.8	171.7	-66.3	-172.7	176.2	-172.9	0	107.8	A292 H296	A292-K294 VanDerWaalsContact C-N 3.25Å; A292-K294 PolarHBondContact O-N 3.22Å; K294-H296 CarbonylContact C-O 3.58Å; K294-H296 PolarHBondContact O-N 3.42Å
295	A	97.8	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-59.6	-40	177.4	0	0	0	0	0	109.3	R10 D268 V270 A292 W325	R10-A295 PolarHBondContact NH1-O 3.47Å; R10-A295 VanDerWaalsContact NH1-O 3.09Å; R10-A295 PolarHBondContact NH2-O 3.49Å; D268-A295 WeakPolarHBondContact O-CB 3.46Å; D268-A295 PolarHBondContact O-N 2.84Å; V270-A295 HydrophobicContact CB-CB 3.91Å; V270-A295 HydrophobicContact CG2-CB 3.64Å; A292-A295 HydrophobicContact CB-CB 3.96Å; A292-A295 PolarHBondContact O-N 2.96Å; A295-W325 HydrophobicContact CB-CH2 3.99Å; A295-W325 HydrophobicContact CB-CZ2 3.61Å
296	H	98.4	Very high	98	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-128.5	177	173.7	-61.2	-85.8	0	0	0	110.5	D268 K294 Q298 S315 S317 V323	D268-H296 WeakPolarHBondContact CB-O 3.22Å; D268-H296 PolarHBondContact O-N 2.97Å; D268-H296 VanDerWaalsContact O-N 3.13Å; K294-H296 CarbonylContact C-O 3.58Å; K294-H296 PolarHBondContact O-N 3.42Å; H296-Q298 WeakPolarHBondContact CB-O 3.42Å; H296-S315 PolarHBondContact NE2-OG 2.84Å; H296-S317 VanDerWaalsContact CB-CB 3.48Å; H296-S317 WeakPolarHBondContact CB-OG 3.4Å; H296-S317 VanDerWaalsContact ND1-CB 3.32Å; H296-S317 WeakPolarHBondContact ND1-CB 3.47Å; H296-V323 WeakPolarHBondContact CE1-CG2 3.38Å
297	N	96.9	Very high	98	Very high	122 Å²	122	40.7 Å²	40.7	65%	0.652	22%	0.219	S	C	*	.	S	Bend	trans	-99.6	1.5	176.1	-68.1	-34.6	0	0	0	113
298	Q	98.4	Very high	98.1	Very high	92 Å²	92	45 Å²	45	43%	0.43	23%	0.23	S	C	.	.	S	Bend	trans	-148.3	177.8	173.9	-65.3	-175.6	49.7	0	0	107.6	D268 H296 A300 S317 D318 N319	D268-Q298 VanDerWaalsContact OD1-CA 3.31Å; D268-Q298 WeakPolarHBondContact OD1-CA 3.37Å; H296-Q298 WeakPolarHBondContact CB-O 3.42Å; Q298-A300 PolarHBondContact O-N 3.33Å; Q298-S317 PolarHBondContact O-OG 3.03Å; Q298-D318 HydrophobicContact CB-CB 3.93Å; Q298-N319 HydrophobicContact CB-CB 4.27Å; Q298-N319 HydrophobicContact CG-CB 4.18Å
299	D	98.8	Very high	98.1	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.219	23%	0.227	C	C	.	.			trans	-43	129.9	-179.3	-63.9	31.6	0	0	0	112.5	Y250 D268 S317 D318	Y250-D299 HydrophobicContact CE2-CB 4.07Å; Y250-D299 WeakPolarHBondContact CE2-OD2 3.38Å; Y250-D299 PolarHBondContact OH-OD2 2.58Å; D268-D299 PolarHBondContact OD1-N 2.9Å; D299-S317 WeakPolarHBondContact O-CA 3.43Å; D299-S317 WeakPolarHBondContact O-CB 3.37Å; D299-S317 PolarHBondContact O-OG 2.97Å; D299-D318 PolarHBondContact O-N 3.49Å; D299-D318 VanDerWaalsContact O-N 3.11Å
300	A	98.8	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.9	171.8	0	0	0	0	0	108.8	A264 C265 V270 Q298	A264-A300 HydrophobicContact CB-CB 3.9Å; A264-A300 WeakPolarHBondContact CB-O 3.16Å; C265-A300 PolarHBondContact O-N 2.95Å; C265-A300 VanDerWaalsContact O-N 3.11Å; V270-A300 HydrophobicContact CG2-CB 4.49Å; Q298-A300 PolarHBondContact O-N 3.33Å
301	N	98.9	Very high	98.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-31	-171.2	-75.9	-31.1	0	0	0	113.9	C19 C316 D318	C19-N301 PolarHBondContact O-ND2 2.91Å; N301-C316 PolarHBondContact N-O 3.21Å; N301-D318 PolarHBondContact ND2-N 2.76Å; N301-D318 VanDerWaalsContact ND2-N 3.13Å; N301-D318 PolarHBondContact ND2-OD1 2.8Å; N301-D318 PolarHBondContact OD1-OD1 3.09Å
302	C	98.9	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.9	-174.1	177.3	0	0	0	0	111.4	F21 V22 D251 S315 C316	F21-C302 HydrophobicContact CD2-CB 3.68Å; F21-C302 WeakPolarHBondContact CD2-SG 3.46Å; F21-C302 HydrophobicContact CE2-CB 4.04Å; F21-C302 WeakPolarHBondContact CE2-SG 3.2Å; F21-C302 HydrophobicContact CG-CB 4.37Å; V22-C302 HydrophobicContact CG2-CB 4.37Å; V22-C302 PolarHBondContact N-SG 3.45Å; D251-C302 VanDerWaalsContact OD2-CA 3.26Å; D251-C302 WeakPolarHBondContact OD2-CA 3.3Å; D251-C302 PolarHBondContact OD2-SG 3.3Å; C302-S315 CarbonylContact O-C 3.54Å; C302-S315 WeakPolarHBondContact O-CA 3.44Å; C302-S315 VanDerWaalsContact O-CB 3.29Å; C302-S315 WeakPolarHBondContact O-CB 3.32Å; C302-C316 PolarHBondContact O-N 2.65Å; C302-C316 VanDerWaalsContact O-N 3.13Å
303	V	98.9	Very high	98.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.6	166.7	-82.9	0	0	0	0	109	D251 A253 A262 A264 V270 L313 A314	D251-V303 HydrophobicContact CB-CG2 4.33Å; D251-V303 PolarHBondContact OD2-N 3.03Å; A253-V303 HydrophobicContact CB-CG2 4.09Å; A253-V303 WeakPolarHBondContact CB-O 3.15Å; A262-V303 HydrophobicContact CB-CB 4.18Å; A262-V303 HydrophobicContact CB-CG1 4.47Å; A262-V303 HydrophobicContact CB-CG2 4.13Å; A264-V303 HydrophobicContact CB-CB 4.48Å; A264-V303 HydrophobicContact CB-CG1 3.96Å; A264-V303 HydrophobicContact CB-CG2 4.09Å; V270-V303 HydrophobicContact CG1-CG1 3.88Å; V270-V303 HydrophobicContact CG2-CG1 3.93Å; V303-L313 HydrophobicContact CB-CD1 4.18Å; V303-A314 CarbonylContact C-O 3.55Å; V303-A314 WeakPolarHBondContact CA-O 3.48Å
304	S	98.9	Very high	98.4	Very high	23 Å²	23	37.3 Å²	37.3	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	117.8	-178.1	-168.6	0	0	0	0	111.6	W24 A314	W24-S304 PolarHBondContact NE1-O 3.28Å; S304-A314 PolarHBondContact N-O 3.03Å; S304-A314 PolarHBondContact O-N 3.24Å
305	W	98.9	Very high	98.5	Very high	20 Å²	20	29.5 Å²	29.5	8%	0.076	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.7	176.5	-68.5	107.5	0	0	0	111	A253 C255 A260 A262 V272 L313 F327	A253-W305 VanDerWaalsContact O-CD1 3.29Å; A253-W305 PolarHBondContact O-NE1 3.09Å; C255-W305 HydrophobicContact CB-CB 4.14Å; C255-W305 HydrophobicContact CB-CD2 3.78Å; C255-W305 HydrophobicContact CB-CG 3.58Å; A260-W305 HydrophobicContact CB-CH2 4.34Å; A260-W305 HydrophobicContact CB-CZ2 3.94Å; A260-W305 PolarHBondContact O-NE1 3.04Å; A262-W305 HydrophobicContact CB-CZ2 3.72Å; V272-W305 HydrophobicContact CG1-CH2 4.25Å; V272-W305 HydrophobicContact CG1-CZ2 4.03Å; V272-W305 HydrophobicContact CG2-CH2 4.09Å; V272-W305 HydrophobicContact CG2-CZ2 4.07Å; W305-L313 HydrophobicContact CD2-CB 4.4Å; W305-L313 HydrophobicContact CD2-CD1 3.73Å; W305-L313 HydrophobicContact CE3-CB 3.74Å; W305-L313 HydrophobicContact CE3-CD1 3.95Å; W305-L313 HydrophobicContact CE3-CG 4.38Å; W305-L313 HydrophobicContact CG-CD1 4.11Å; W305-L313 HydrophobicContact CH2-CB 4.25Å; W305-L313 HydrophobicContact CH2-CD1 4.5Å; W305-L313 HydrophobicContact CH2-CD2 4.22Å; W305-L313 HydrophobicContact CZ2-CD1 4.32Å; W305-L313 HydrophobicContact CZ2-CD2 4.42Å; W305-L313 HydrophobicContact CZ3-CB 3.65Å; W305-L313 HydrophobicContact CZ3-CD1 4.32Å; W305-L313 HydrophobicContact CZ3-CD2 4.45Å; W305-L313 HydrophobicContact CZ3-CG 4.36Å; W305-F327 HydrophobicContact CH2-CB 3.74Å; W305-F327 AromaticContact CH2-CD1 3.83Å; W305-F327 HydrophobicContact CH2-CD1 3.83Å; W305-F327 AromaticContact CH2-CG 3.87Å; W305-F327 HydrophobicContact CH2-CG 3.87Å; W305-F327 HydrophobicContact CZ3-CB 3.78Å; W305-F327 HydrophobicContact CZ3-CD1 4.27Å; W305-F327 HydrophobicContact CZ3-CG 4.32Å
306	N	98.8	Very high	98.6	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	16%	0.158	C	C	.	.			trans	-66.9	131	173.3	-170.8	-71.3	0	0	0	110.3	W24 G28 K308 E309 L312	W24-N306 HydrophobicContact CD2-CB 4.16Å; W24-N306 HydrophobicContact CG-CB 4.45Å; W24-N306 HydrophobicContact CZ2-CB 4.35Å; W24-N306 WeakPolarHBondContact CZ3-ND2 3.06Å; G28-N306 PolarHBondContact O-ND2 3.09Å; N306-K308 VanDerWaalsContact C-N 3.27Å; N306-K308 PolarHBondContact O-N 2.94Å; N306-K308 PolarHBondContact OD1-N 2.67Å; N306-E309 HydrophobicContact CB-CB 4.27Å; N306-E309 PolarHBondContact OD1-N 2.91Å; N306-L312 HydrophobicContact CB-CB 3.79Å; N306-L312 HydrophobicContact CB-CD2 3.89Å; N306-L312 HydrophobicContact CB-CG 4.2Å; N306-L312 PolarHBondContact N-O 3.04Å
307	P	98.6	Very high	98.6	Very high	41 Å²	41	29.5 Å²	29.5	27%	0.266	16%	0.158	S	C	.	.	S	Bend	trans	-77	-9.5	-174.7	29.7	-35.7	0	0	0	114.2	W24 S25	W24-P307 VanDerWaalsContact CB-CD 3.47Å; W24-P307 HydrophobicContact CB-CG 4.19Å; S25-P307 VanDerWaalsContact O-CG 3.27Å; S25-P307 WeakPolarHBondContact O-CG 3.36Å
308	K	98.5	Very high	98.7	Very high	150 Å²	150	24.3 Å²	24.3	65%	0.652	13%	0.13	S	C	*	.	S	Bend	trans	-124.9	-16.1	-177.7	-61.9	-59.9	175.8	-171.1	0	114.4	P26 N27 N306	P26-K308 WeakPolarHBondContact O-CE 3.26Å; N27-K308 VanDerWaalsContact C-CG 3.48Å; N27-K308 WeakPolarHBondContact O-CG 3.49Å; N306-K308 VanDerWaalsContact C-N 3.27Å; N306-K308 PolarHBondContact O-N 2.94Å; N306-K308 PolarHBondContact OD1-N 2.67Å
309	E	98.2	Very high	98.7	Very high	56 Å²	56	21.5 Å²	21.5	26%	0.262	12%	0.118	S	C	.	.	S	Bend	trans	-119	98.1	-179.2	-166.1	176.5	150.7	0	0	110.6	R45 N306 G311 L312 R326	R45-E309 IonicContact CZ-OE1 3.28Å; R45-E309 IonicContact CZ-OE2 3.06Å; R45-E309 IonicContact NH1-OE1 2.63Å; R45-E309 IonicContact NH1-OE2 2.74Å; R45-E309 PolarHBondContact NH1-OE2 3.5Å; R45-E309 VanDerWaalsContact NH2-CD 3.34Å; R45-E309 IonicContact NH2-OE1 3.97Å; R45-E309 PolarHBondContact NH2-OE1 2.94Å; R45-E309 VanDerWaalsContact NH2-OE1 3.16Å; R45-E309 IonicContact NH2-OE2 3.5Å; R45-E309 PolarHBondContact NH2-OE2 3.03Å; N306-E309 HydrophobicContact CB-CB 4.27Å; N306-E309 PolarHBondContact OD1-N 2.91Å; E309-G311 PolarHBondContact O-N 3.04Å; E309-L312 HydrophobicContact CB-CB 4.1Å; E309-L312 HydrophobicContact CB-CD2 4.43Å; E309-L312 HydrophobicContact CG-CB 4.13Å; E309-L312 WeakPolarHBondContact O-CB 3.42Å; E309-L312 PolarHBondContact O-N 3.11Å; E309-R326 IonicContact OE1-CZ 3.88Å; E309-R326 IonicContact OE1-NH1 3.32Å; E309-R326 PolarHBondContact OE1-NH1 2.67Å; E309-R326 IonicContact OE1-NH2 2.97Å; E309-R326 PolarHBondContact OE1-NH2 2.85Å
310	A	98	Very high	98.7	Very high	60 Å²	60	19.6 Å²	19.6	50%	0.496	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	131.8	-178.6	0	0	0	0	0	111.7	L257 T258 L312	L257-A310 HydrophobicContact CB-CB 4.49Å; L257-A310 HydrophobicContact CD1-CB 4.26Å; T258-A310 HydrophobicContact CG2-CB 3.82Å; A310-L312 VanDerWaalsContact C-N 3.26Å; A310-L312 PolarHBondContact O-N 3.18Å
311	G	97.8	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-5.1	-179.5	0	0	0	0	0	115.4	E309 F327	E309-G311 PolarHBondContact O-N 3.04Å; G311-F327 WeakPolarHBondContact CA-O 3.29Å; G311-F327 WeakPolarHBondContact O-CB 3.2Å; G311-F327 PolarHBondContact O-N 3.09Å
312	L	98.7	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.9	171.1	-170.2	77.3	0	0	0	109.9	W24 R45 W50 N306 E309 A310 I324	W24-L312 HydrophobicContact CH2-CD2 3.9Å; W24-L312 HydrophobicContact CZ2-CD2 3.91Å; W24-L312 HydrophobicContact CZ2-CG 4.37Å; R45-L312 VanDerWaalsContact NH2-CD2 3.32Å; W50-L312 HydrophobicContact CZ2-CD2 4.11Å; N306-L312 HydrophobicContact CB-CB 3.79Å; N306-L312 HydrophobicContact CB-CD2 3.89Å; N306-L312 HydrophobicContact CB-CG 4.2Å; N306-L312 PolarHBondContact N-O 3.04Å; E309-L312 HydrophobicContact CB-CB 4.1Å; E309-L312 HydrophobicContact CB-CD2 4.43Å; E309-L312 HydrophobicContact CG-CB 4.13Å; E309-L312 WeakPolarHBondContact O-CB 3.42Å; E309-L312 PolarHBondContact O-N 3.11Å; A310-L312 VanDerWaalsContact C-N 3.26Å; A310-L312 PolarHBondContact O-N 3.18Å; L312-I324 HydrophobicContact CD1-CG2 3.66Å; L312-I324 HydrophobicContact CG-CG2 4.33Å
313	L	98.9	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	-177.8	176.7	69.2	0	0	0	109.9	L5 A262 V270 V303 W305 W325	L5-L313 HydrophobicContact CD2-CD2 4.02Å; A262-L313 HydrophobicContact CB-CD1 4.11Å; A262-L313 HydrophobicContact CB-CD2 4.21Å; V270-L313 HydrophobicContact CG1-CD2 3.92Å; V303-L313 HydrophobicContact CB-CD1 4.18Å; W305-L313 HydrophobicContact CD2-CB 4.4Å; W305-L313 HydrophobicContact CD2-CD1 3.73Å; W305-L313 HydrophobicContact CE3-CB 3.74Å; W305-L313 HydrophobicContact CE3-CD1 3.95Å; W305-L313 HydrophobicContact CE3-CG 4.38Å; W305-L313 HydrophobicContact CG-CD1 4.11Å; W305-L313 HydrophobicContact CH2-CB 4.25Å; W305-L313 HydrophobicContact CH2-CD1 4.5Å; W305-L313 HydrophobicContact CH2-CD2 4.22Å; W305-L313 HydrophobicContact CZ2-CD1 4.32Å; W305-L313 HydrophobicContact CZ2-CD2 4.42Å; W305-L313 HydrophobicContact CZ3-CB 3.65Å; W305-L313 HydrophobicContact CZ3-CD1 4.32Å; W305-L313 HydrophobicContact CZ3-CD2 4.45Å; W305-L313 HydrophobicContact CZ3-CG 4.36Å; L313-W325 HydrophobicContact CB-CB 4.2Å; L313-W325 PolarHBondContact N-O 3.26Å; L313-W325 PolarHBondContact O-N 3.2Å
314	A	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.1	166.5	0	0	0	0	0	109.8	V22 W24 L31 V303 S304 V323 I324	V22-A314 HydrophobicContact CG2-CB 4.04Å; W24-A314 HydrophobicContact CZ2-CB 3.89Å; L31-A314 HydrophobicContact CD1-CB 4.04Å; L31-A314 HydrophobicContact CD2-CB 3.76Å; V303-A314 CarbonylContact C-O 3.55Å; V303-A314 WeakPolarHBondContact CA-O 3.48Å; S304-A314 PolarHBondContact N-O 3.03Å; S304-A314 PolarHBondContact O-N 3.24Å; A314-V323 CarbonylContact C-O 3.52Å; A314-V323 WeakPolarHBondContact CA-O 3.36Å; A314-I324 HydrophobicContact CB-CD1 3.83Å
315	S	98.9	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.3	169.4	65	0	0	0	0	110.4	H296 C302 I322 V323 W325	H296-S315 PolarHBondContact NE2-OG 2.84Å; C302-S315 CarbonylContact O-C 3.54Å; C302-S315 WeakPolarHBondContact O-CA 3.44Å; C302-S315 VanDerWaalsContact O-CB 3.29Å; C302-S315 WeakPolarHBondContact O-CB 3.32Å; S315-I322 CarbonylContact O-C 3.56Å; S315-I322 VanDerWaalsContact O-CA 3.3Å; S315-I322 WeakPolarHBondContact O-CA 3.36Å; S315-V323 PolarHBondContact N-O 3.05Å; S315-V323 PolarHBondContact O-N 3.48Å; S315-V323 PolarHBondContact OG-O 3.18Å; S315-W325 PolarHBondContact OG-NE1 3.46Å
316	C	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.4	175.3	74.2	0	0	0	0	112.6	C19 V22 N301 C302 E321 I322	C19-C316 HydrophobicContact CB-CB 3.89Å; C19-C316 PolarHBondContact O-SG 2.87Å; C19-C316 WeakPolarHBondContact SG-CB 3.21Å; C19-C316 VanDerWaalsContact SG-SG 3.7Å; V22-C316 HydrophobicContact CG1-CB 3.86Å; N301-C316 PolarHBondContact N-O 3.21Å; C302-C316 PolarHBondContact O-N 2.65Å; C302-C316 VanDerWaalsContact O-N 3.13Å; C316-E321 WeakPolarHBondContact CA-O 3.47Å; C316-E321 WeakPolarHBondContact CB-O 3.33Å; C316-I322 HydrophobicContact CB-CG1 4.05Å
317	S	98.9	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.9	-170.9	169.6	0	0	0	0	113.9	C19 H296 Q298 D299 N319 G320 E321	C19-S317 PolarHBondContact N-O 2.88Å; H296-S317 VanDerWaalsContact CB-CB 3.48Å; H296-S317 WeakPolarHBondContact CB-OG 3.4Å; H296-S317 VanDerWaalsContact ND1-CB 3.32Å; H296-S317 WeakPolarHBondContact ND1-CB 3.47Å; Q298-S317 PolarHBondContact O-OG 3.03Å; D299-S317 WeakPolarHBondContact O-CA 3.43Å; D299-S317 WeakPolarHBondContact O-CB 3.37Å; D299-S317 PolarHBondContact O-OG 2.97Å; S317-N319 VanDerWaalsContact CB-OD1 3.22Å; S317-N319 WeakPolarHBondContact CB-OD1 3.39Å; S317-N319 PolarHBondContact O-N 2.78Å; S317-N319 VanDerWaalsContact O-N 3.17Å; S317-N319 PolarHBondContact OG-N 2.9Å; S317-N319 PolarHBondContact OG-OD1 2.76Å; S317-G320 PolarHBondContact O-N 2.93Å; S317-E321 PolarHBondContact N-O 3.15Å; S317-E321 VanDerWaalsContact N-O 3.15Å
318	D	98.8	Very high	98.3	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.6	170.9	-90.2	-3.3	0	0	0	113.5	R18 Q298 D299 N301 G320	R18-D318 WeakPolarHBondContact CD-OD1 3.19Å; R18-D318 HydrophobicContact CG-CB 4.12Å; R18-D318 VanDerWaalsContact CG-OD1 3.31Å; R18-D318 WeakPolarHBondContact CG-OD1 3.33Å; R18-D318 IonicContact CZ-OD1 3.92Å; R18-D318 IonicContact CZ-OD2 2.66Å; R18-D318 IonicContact NE-OD1 3.49Å; R18-D318 IonicContact NE-OD2 2.9Å; R18-D318 VanDerWaalsContact NH1-CG 3.26Å; R18-D318 IonicContact NH1-OD1 2.78Å; R18-D318 PolarHBondContact NH1-OD1 3.48Å; R18-D318 VanDerWaalsContact NH1-OD1 3.16Å; R18-D318 IonicContact NH1-OD2 2.71Å; R18-D318 PolarHBondContact NH1-OD2 2.96Å; R18-D318 IonicContact NH2-OD2 2.69Å; Q298-D318 HydrophobicContact CB-CB 3.93Å; D299-D318 PolarHBondContact O-N 3.49Å; D299-D318 VanDerWaalsContact O-N 3.11Å; N301-D318 PolarHBondContact ND2-N 2.76Å; N301-D318 VanDerWaalsContact ND2-N 3.13Å; N301-D318 PolarHBondContact ND2-OD1 2.8Å; N301-D318 PolarHBondContact OD1-OD1 3.09Å; D318-G320 PolarHBondContact O-N 3.27Å
319	N	98.1	Very high	97.6	Very high	34 Å²	34	24 Å²	24	18%	0.182	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.3	173.5	74.7	-10.5	0	0	0	114.4	Q298 S317 E321	Q298-N319 HydrophobicContact CB-CB 4.27Å; Q298-N319 HydrophobicContact CG-CB 4.18Å; S317-N319 VanDerWaalsContact CB-OD1 3.22Å; S317-N319 WeakPolarHBondContact CB-OD1 3.39Å; S317-N319 PolarHBondContact O-N 2.78Å; S317-N319 VanDerWaalsContact O-N 3.17Å; S317-N319 PolarHBondContact OG-N 2.9Å; S317-N319 PolarHBondContact OG-OD1 2.76Å; N319-E321 VanDerWaalsContact C-N 3.3Å; N319-E321 PolarHBondContact ND2-OE2 3.38Å; N319-E321 VanDerWaalsContact ND2-OE2 3.15Å; N319-E321 PolarHBondContact O-N 2.87Å; N319-E321 WeakPolarHBondContact OD1-CB 3.41Å; N319-E321 PolarHBondContact OD1-N 3.44Å
320	G	98.5	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	83.5	1.1	178.9	0	0	0	0	0	114.7	A13 H14 S17 S317 D318	A13-G320 PolarHBondContact N-O 3.1Å; H14-G320 PolarHBondContact N-O 2.77Å; H14-G320 WeakPolarHBondContact O-CA 3.49Å; S17-G320 WeakPolarHBondContact O-CA 3.29Å; S17-G320 PolarHBondContact O-N 3.41Å; S317-G320 PolarHBondContact O-N 2.93Å; D318-G320 PolarHBondContact O-N 3.27Å
321	E	98.8	Very high	95.1	Very high	46 Å²	46	29.5 Å²	29.5	22%	0.215	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	152.8	-178.8	-61.7	-175.2	159.1	0	0	113	R10 I11 C316 S317 N319	R10-E321 IonicContact NH1-OE2 3.18Å; R10-E321 PolarHBondContact NH1-OE2 2.99Å; I11-E321 CarbonylContact O-C 3.53Å; I11-E321 VanDerWaalsContact O-CA 3.23Å; I11-E321 WeakPolarHBondContact O-CA 3.35Å; C316-E321 WeakPolarHBondContact CA-O 3.47Å; C316-E321 WeakPolarHBondContact CB-O 3.33Å; S317-E321 PolarHBondContact N-O 3.15Å; S317-E321 VanDerWaalsContact N-O 3.15Å; N319-E321 VanDerWaalsContact C-N 3.3Å; N319-E321 PolarHBondContact ND2-OE2 3.38Å; N319-E321 VanDerWaalsContact ND2-OE2 3.15Å; N319-E321 PolarHBondContact O-N 2.87Å; N319-E321 WeakPolarHBondContact OD1-CB 3.41Å; N319-E321 PolarHBondContact OD1-N 3.44Å
322	I	98.8	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140	157.7	-62.7	168.1	0	0	0	107.8	I11 A13 V22 L31 S33 S315 C316 I324	I11-I322 HydrophobicContact CB-CB 4.32Å; I11-I322 PolarHBondContact N-O 2.75Å; I11-I322 PolarHBondContact O-N 3.35Å; A13-I322 HydrophobicContact CB-CB 4.33Å; A13-I322 HydrophobicContact CB-CD1 3.4Å; A13-I322 VanDerWaalsContact CB-CD1 3.4Å; A13-I322 HydrophobicContact CB-CG1 3.54Å; V22-I322 HydrophobicContact CG1-CD1 3.78Å; V22-I322 HydrophobicContact CG1-CG1 3.82Å; V22-I322 HydrophobicContact CG1-CG2 4.47Å; L31-I322 HydrophobicContact CD2-CG2 4.07Å; S33-I322 VanDerWaalsContact CB-CD1 3.42Å; S315-I322 CarbonylContact O-C 3.56Å; S315-I322 VanDerWaalsContact O-CA 3.3Å; S315-I322 WeakPolarHBondContact O-CA 3.36Å; C316-I322 HydrophobicContact CB-CG1 4.05Å; I322-I324 HydrophobicContact CG2-CD1 3.89Å
323	V	98.9	Very high	91.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	169.2	-172.5	0	0	0	0	109.3	L7 Q9 R10 H296 A314 S315 W325	L7-V323 HydrophobicContact CD1-CG1 3.29Å; Q9-V323 WeakPolarHBondContact O-CA 3.44Å; R10-V323 HydrophobicContact CG-CG1 4.45Å; R10-V323 HydrophobicContact CG-CG2 3.99Å; R10-V323 VanDerWaalsContact NH1-CG2 3.29Å; H296-V323 WeakPolarHBondContact CE1-CG2 3.38Å; A314-V323 CarbonylContact C-O 3.52Å; A314-V323 WeakPolarHBondContact CA-O 3.36Å; S315-V323 PolarHBondContact N-O 3.05Å; S315-V323 PolarHBondContact O-N 3.48Å; S315-V323 PolarHBondContact OG-O 3.18Å; V323-W325 HydrophobicContact CB-CZ2 3.77Å; V323-W325 HydrophobicContact CG1-CD2 3.79Å; V323-W325 HydrophobicContact CG1-CE3 4.32Å; V323-W325 HydrophobicContact CG1-CG 4.32Å; V323-W325 HydrophobicContact CG1-CH2 3.88Å; V323-W325 HydrophobicContact CG1-CZ2 3.3Å; V323-W325 HydrophobicContact CG1-CZ3 4.36Å; V323-W325 HydrophobicContact CG2-CZ2 4.18Å
324	I	98.8	Very high	90.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.8	170.1	-51.6	-58.1	0	0	0	108.4	V8 Q9 I11 W24 L31 W50 L312 A314 I322	V8-I324 WeakPolarHBondContact CA-O 3.36Å; V8-I324 HydrophobicContact CB-CB 4.21Å; V8-I324 HydrophobicContact CB-CG2 4Å; V8-I324 WeakPolarHBondContact CB-O 3.46Å; V8-I324 HydrophobicContact CG1-CG2 4.21Å; V8-I324 HydrophobicContact CG2-CG2 4.49Å; V8-I324 PolarHBondContact N-O 3.18Å; Q9-I324 HydrophobicContact CB-CB 4.43Å; Q9-I324 PolarHBondContact N-O 3.15Å; Q9-I324 PolarHBondContact O-N 2.75Å; I11-I324 HydrophobicContact CD1-CG1 4.37Å; W24-I324 HydrophobicContact CZ2-CD1 4.43Å; L31-I324 HydrophobicContact CD2-CD1 3.83Å; W50-I324 HydrophobicContact CG-CG1 4.32Å; L312-I324 HydrophobicContact CD1-CG2 3.66Å; L312-I324 HydrophobicContact CG-CG2 4.33Å; A314-I324 HydrophobicContact CB-CD1 3.83Å; I322-I324 HydrophobicContact CG2-CD1 3.89Å
325	W	98.7	Very high	90.4	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.045	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.7	-177.5	-49.3	89.2	0	0	0	111.4	L5 S6 L7 A292 A295 L313 S315 V323	L5-W325 HydrophobicContact CB-CE3 4.08Å; L5-W325 HydrophobicContact CD2-CB 3.98Å; L5-W325 HydrophobicContact CD2-CG 4.45Å; S6-W325 CarbonylContact O-C 3.53Å; S6-W325 VanDerWaalsContact O-CA 3.32Å; S6-W325 WeakPolarHBondContact O-CA 3.32Å; L7-W325 HydrophobicContact CB-CZ3 4.4Å; A292-W325 HydrophobicContact CB-CH2 3.89Å; A292-W325 HydrophobicContact CB-CZ3 4Å; A295-W325 HydrophobicContact CB-CH2 3.99Å; A295-W325 HydrophobicContact CB-CZ2 3.61Å; L313-W325 HydrophobicContact CB-CB 4.2Å; L313-W325 PolarHBondContact N-O 3.26Å; L313-W325 PolarHBondContact O-N 3.2Å; S315-W325 PolarHBondContact OG-NE1 3.46Å; V323-W325 HydrophobicContact CB-CZ2 3.77Å; V323-W325 HydrophobicContact CG1-CD2 3.79Å; V323-W325 HydrophobicContact CG1-CE3 4.32Å; V323-W325 HydrophobicContact CG1-CG 4.32Å; V323-W325 HydrophobicContact CG1-CH2 3.88Å; V323-W325 HydrophobicContact CG1-CZ2 3.3Å; V323-W325 HydrophobicContact CG1-CZ3 4.36Å; V323-W325 HydrophobicContact CG2-CZ2 4.18Å
326	R	98	Very high	89.9	Confident	64 Å²	64	54.2 Å²	54.2	24%	0.242	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.7	164.4	-174.3	66.8	56.5	-177.2	2.1	109.4	S6 V8 E309 K328	S6-R326 PolarHBondContact N-O 2.82Å; S6-R326 PolarHBondContact O-N 3.09Å; V8-R326 HydrophobicContact CG2-CB 3.84Å; E309-R326 IonicContact OE1-CZ 3.88Å; E309-R326 IonicContact OE1-NH1 3.32Å; E309-R326 PolarHBondContact OE1-NH1 2.67Å; E309-R326 IonicContact OE1-NH2 2.97Å; E309-R326 PolarHBondContact OE1-NH2 2.85Å; R326-K328 HydrophobicContact CG-CD 4.29Å; R326-K328 HydrophobicContact CG-CG 4.23Å
327	F	97.8	Very high	89.4	Confident	16 Å²	16	57.4 Å²	57.4	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.7	167.7	179.1	-117.1	0	0	0	109.8	E3 V4 L5 A260 V272 V289 A290 W305 G311	E3-F327 HydrophobicContact CB-CE2 3.8Å; E3-F327 HydrophobicContact CB-CZ 4.14Å; E3-F327 HydrophobicContact CG-CE2 4.44Å; E3-F327 HydrophobicContact CG-CZ 4.31Å; V4-F327 WeakPolarHBondContact O-CA 3.42Å; L5-F327 HydrophobicContact CD2-CB 3.91Å; L5-F327 HydrophobicContact CD2-CD2 4.27Å; A260-F327 HydrophobicContact CB-CD1 4.4Å; A260-F327 HydrophobicContact CB-CE1 3.95Å; V272-F327 HydrophobicContact CB-CD2 4.41Å; V272-F327 HydrophobicContact CB-CE2 4.14Å; V272-F327 HydrophobicContact CG1-CD1 4.45Å; V272-F327 HydrophobicContact CG1-CD2 4.21Å; V272-F327 HydrophobicContact CG1-CE1 4.07Å; V272-F327 HydrophobicContact CG1-CE2 3.8Å; V272-F327 HydrophobicContact CG1-CZ 3.74Å; V272-F327 HydrophobicContact CG2-CD2 4.33Å; V289-F327 HydrophobicContact CG2-CE2 4.09Å; V289-F327 HydrophobicContact CG2-CZ 3.86Å; A290-F327 HydrophobicContact CB-CD2 4.1Å; A290-F327 HydrophobicContact CB-CE2 3.8Å; W305-F327 HydrophobicContact CH2-CB 3.74Å; W305-F327 AromaticContact CH2-CD1 3.83Å; W305-F327 HydrophobicContact CH2-CD1 3.83Å; W305-F327 AromaticContact CH2-CG 3.87Å; W305-F327 HydrophobicContact CH2-CG 3.87Å; W305-F327 HydrophobicContact CZ3-CB 3.78Å; W305-F327 HydrophobicContact CZ3-CD1 4.27Å; W305-F327 HydrophobicContact CZ3-CG 4.32Å; G311-F327 WeakPolarHBondContact CA-O 3.29Å; G311-F327 WeakPolarHBondContact O-CB 3.2Å; G311-F327 PolarHBondContact O-N 3.09Å
328	K	93.3	Very high	88.8	Confident	94 Å²	94	61 Å²	61	41%	0.409	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	163.2	179.1	57.2	170	-179.9	153.1	0	110.9	E3 V4 R326 E330	E3-K328 WeakPolarHBondContact CA-O 3.49Å; V4-K328 HydrophobicContact CG2-CG 4.4Å; V4-K328 PolarHBondContact N-O 3.28Å; V4-K328 PolarHBondContact O-N 3.32Å; R326-K328 HydrophobicContact CG-CD 4.29Å; R326-K328 HydrophobicContact CG-CG 4.23Å; K328-E330 HydrophobicContact CD-CG 4.39Å; K328-E330 WeakPolarHBondContact CE-OE1 3.28Å; K328-E330 HydrophobicContact CG-CG 4.47Å; K328-E330 IonicContact NZ-OE1 2.75Å; K328-E330 PolarHBondContact NZ-OE1 3.05Å
329	E	84.8	Confident	88.1	Confident	106 Å²	106	64.2 Å²	64.2	50%	0.495	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.5	163.8	-72.1	176	-157.6	0	0	109.5	E3 K274	E3-E329 HydrophobicContact CG-CG 3.65Å; K274-E329 IonicContact NZ-OE1 3.86Å
330	E	78	Confident	87.4	Confident	73 Å²	73	66.4 Å²	66.4	34%	0.341	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.8	169.3	-75.5	-173.8	163.9	0	0	110.5	M1 K2 V4 K328	M1-E330 CarbonylContact C-O 3.53Å; M1-E330 WeakPolarHBondContact CA-O 3.34Å; M1-E330 VanDerWaalsContact CB-O 3.32Å; M1-E330 WeakPolarHBondContact CB-O 3.22Å; K2-E330 PolarHBondContact N-O 3.29Å; K2-E330 PolarHBondContact O-N 2.64Å; V4-E330 HydrophobicContact CG2-CB 4.34Å; V4-E330 HydrophobicContact CG2-CG 3.63Å; V4-E330 WeakPolarHBondContact CG2-OE2 3.41Å; K328-E330 HydrophobicContact CD-CG 4.39Å; K328-E330 WeakPolarHBondContact CE-OE1 3.28Å; K328-E330 HydrophobicContact CG-CG 4.47Å; K328-E330 IonicContact NZ-OE1 2.75Å; K328-E330 PolarHBondContact NZ-OE1 3.05Å
331	E	64.2	Low	86.6	Confident	157 Å²	157	71.5 Å²	71.5	73%	0.734	34%	0.344	S	S	*	.			trans	-64.8	137.8	167.4	-71.7	-173.9	168	0	0	109.4	M1 D333	M1-E331 HydrophobicContact CG-CG 3.99Å; M1-E331 HydrophobicContact SD-CG 3.74Å; E331-D333 PolarHBondContact O-N 2.9Å
332	L	60.5	Low	85.5	Confident	130 Å²	130	73.6 Å²	73.6	68%	0.681	35%	0.354	S	S	*	.			trans	-85.5	112.4	174.8	-69.1	165.3	0	0	0	105.9	K2	K2-L332 HydrophobicContact CB-CD2 4.29Å
333	D	54.8	Low	84.3	Confident	231 Å²	231	80.3 Å²	80.3	100%	1.235	39%	0.387	S	S	*	.			trans	-63.1	0	166.2	-70.7	-26.5	0	0	0	111.3	E331	E331-D333 PolarHBondContact O-N 2.9Å

Retrieved 333 of 333 residues in 84.5 ms (Link to these results)

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