A0AA82N5H6_SCHMA Loading...

POC1 centriolar protein homolog B AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N5H6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 480 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.4	Low	87.1	Confident	99 Å²	99	76 Å²	76	49%	0.488	38%	0.379	S	S	.	.				0	129.3	0	-171.8	178.4	-73.5	0	0	105.8	L259 F260 F297	M1-L259 HydrophobicContact CE-CD1 4.07Å; M1-L259 HydrophobicContact SD-CD1 3.96Å; M1-F260 HydrophobicContact CB-CE2 4.48Å; M1-F260 HydrophobicContact CB-CZ 4.02Å; M1-F260 HydrophobicContact CG-CE2 4.12Å; M1-F260 HydrophobicContact CG-CZ 4.06Å; M1-F260 HydrophobicContact SD-CE2 3.68Å; M1-F260 HydrophobicContact SD-CZ 4.17Å; M1-F297 HydrophobicContact CG-CD1 4.23Å; M1-F297 HydrophobicContact SD-CD1 3.43Å; M1-F297 WeakPolarHBondContact SD-CD1 3.33Å; M1-F297 HydrophobicContact SD-CE1 3.9Å; M1-F297 HydrophobicContact SD-CG 4.49Å
2	E	77.1	Confident	87.5	Confident	117 Å²	117	72.8 Å²	72.8	55%	0.547	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67	141	176.5	-76.7	173.2	-163.1	0	0	109.7	N296	E2-N296 HydrophobicContact CB-CB 4.02Å; E2-N296 WeakPolarHBondContact CB-ND2 3.38Å
3	D	83.2	Confident	88.1	Confident	113 Å²	113	67.8 Å²	67.8	60%	0.604	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-59.1	140.3	178.6	-62.1	-7.5	0	0	0	110.2	S5 F260 N296	D3-S5 PolarHBondContact O-N 3.18Å; D3-F260 WeakPolarHBondContact OD1-CE1 3.44Å; D3-N296 PolarHBondContact O-ND2 3.4Å; D3-N296 VanDerWaalsContact O-ND2 3.14Å
4	P	89.1	Confident	88.6	Confident	9 Å²	9	74.1 Å²	74.1	6%	0.058	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-63.1	138.3	170.3	28.6	-34.2	0	0	0	109.6	I250 L262 F281 R294 F297	P4-I250 HydrophobicContact CG-CD1 3.81Å; P4-L262 HydrophobicContact CB-CD1 4.4Å; P4-L262 HydrophobicContact CG-CD1 3.63Å; P4-L262 HydrophobicContact CG-CD2 3.47Å; P4-L262 VanDerWaalsContact CG-CD2 3.47Å; P4-L262 HydrophobicContact CG-CG 4.15Å; P4-F281 HydrophobicContact CB-CE1 3.81Å; P4-F281 HydrophobicContact CB-CZ 4.09Å; P4-F281 HydrophobicContact CG-CZ 4.5Å; P4-R294 WeakPolarHBondContact CA-O 3.41Å; P4-R294 VanDerWaalsContact CB-O 3.27Å; P4-R294 WeakPolarHBondContact CB-O 3.31Å; P4-F297 HydrophobicContact CB-CZ 4.45Å
5	S	91.4	Very high	89.1	Confident	55 Å²	55	73.5 Å²	73.5	39%	0.385	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.1	-174.7	54.2	0	0	0	0	111.9	D3 Q7 W293 R294	D3-S5 PolarHBondContact O-N 3.18Å; S5-Q7 PolarHBondContact O-N 3.49Å; S5-W293 CarbonylContact O-C 3.53Å; S5-W293 WeakPolarHBondContact O-CA 3.45Å; S5-R294 PolarHBondContact N-O 3.48Å; S5-R294 PolarHBondContact O-N 2.88Å
6	L	92	Very high	89.6	Confident	85 Å²	85	69.6 Å²	69.6	45%	0.445	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.8	173.4	-178.9	66.3	0	0	0	109.4	F291 W293	L6-F291 HydrophobicContact CD1-CB 3.55Å; L6-F291 HydrophobicContact CD1-CD2 3.9Å; L6-F291 HydrophobicContact CD1-CG 3.76Å; L6-F291 HydrophobicContact CD2-CD2 4.44Å; L6-W293 HydrophobicContact CB-CD2 4.48Å; L6-W293 HydrophobicContact CB-CE3 3.9Å; L6-W293 HydrophobicContact CB-CZ3 3.9Å; L6-W293 HydrophobicContact CD1-CD2 4.07Å; L6-W293 HydrophobicContact CD1-CE3 4.32Å; L6-W293 HydrophobicContact CD1-CZ2 4.36Å
7	Q	91	Very high	90.1	Very high	77 Å²	77	65.5 Å²	65.5	36%	0.36	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-51.2	-179.6	-70.3	-173.8	-9.9	0	0	112.9	S5 H280 L292 R294	S5-Q7 PolarHBondContact O-N 3.49Å; Q7-H280 PolarHBondContact NE2-NE2 3.09Å; Q7-H280 VanDerWaalsContact NE2-NE2 3.13Å; Q7-H280 PolarHBondContact OE1-CD2 3.46Å; Q7-H280 VanDerWaalsContact OE1-CD2 3.32Å; Q7-H280 PolarHBondContact OE1-NE2 3.39Å; Q7-L292 PolarHBondContact N-O 3.24Å; Q7-R294 HydrophobicContact CG-CB 3.93Å; Q7-R294 VanDerWaalsContact NE2-CB 3.3Å; Q7-R294 VanDerWaalsContact NE2-CG 3.3Å
8	I	91.9	Very high	90.5	Very high	44 Å²	44	62.8 Å²	62.8	23%	0.226	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142	-171.9	-52.2	179.7	0	0	0	109.4	F10 I43 L292	I8-F10 HydrophobicContact CB-CE2 4.29Å; I8-F10 HydrophobicContact CB-CZ 4.1Å; I8-F10 HydrophobicContact CD1-CZ 4.3Å; I8-F10 HydrophobicContact CG2-CD1 3.91Å; I8-F10 HydrophobicContact CG2-CD2 4.35Å; I8-F10 HydrophobicContact CG2-CE1 3.49Å; I8-F10 VanDerWaalsContact CG2-CE1 3.49Å; I8-F10 HydrophobicContact CG2-CE2 3.97Å; I8-F10 HydrophobicContact CG2-CG 4.33Å; I8-F10 HydrophobicContact CG2-CZ 3.52Å; I8-I43 HydrophobicContact CD1-CG2 4.3Å; I8-I43 WeakPolarHBondContact CD1-O 3.12Å; I8-L292 HydrophobicContact CB-CB 4.04Å; I8-L292 HydrophobicContact CB-CD2 4.3Å; I8-L292 HydrophobicContact CD1-CD2 3.85Å; I8-L292 HydrophobicContact CG1-CD2 4.13Å; I8-L292 PolarHBondContact N-O 2.78Å; I8-L292 PolarHBondContact O-N 3.32Å
9	H	91.3	Very high	90.9	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.329	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.8	174.7	-179.4	-80.8	0	0	0	109.1	K11 Q289 F291	H9-K11 WeakPolarHBondContact CE1-CD 3.49Å; H9-K11 WeakPolarHBondContact CE1-CE 3.46Å; H9-Q289 PolarHBondContact CE1-OE1 2.86Å; H9-Q289 VanDerWaalsContact NE2-CD 3.34Å; H9-Q289 WeakPolarHBondContact NE2-CG 3.41Å; H9-Q289 PolarHBondContact NE2-OE1 2.77Å; H9-F291 AromaticContact CD2-CD1 3.42Å; H9-F291 VanDerWaalsContact CD2-CD1 3.42Å; H9-F291 WeakPolarHBondContact CD2-CD1 3.16Å; H9-F291 AromaticContact CD2-CE1 3.1Å; H9-F291 WeakPolarHBondContact CD2-CE1 3.45Å; H9-F291 AromaticContact NE2-CD1 3.87Å; H9-F291 AromaticContact NE2-CE1 3.25Å; H9-F291 VanDerWaalsContact NE2-CE1 3.25Å; H9-F291 WeakPolarHBondContact NE2-CE1 3.37Å
10	F	92.7	Very high	91.2	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.096	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131	178	-57.6	-70.5	0	0	0	110.9	I8 L29 W41 V290 L292	I8-F10 HydrophobicContact CB-CE2 4.29Å; I8-F10 HydrophobicContact CB-CZ 4.1Å; I8-F10 HydrophobicContact CD1-CZ 4.3Å; I8-F10 HydrophobicContact CG2-CD1 3.91Å; I8-F10 HydrophobicContact CG2-CD2 4.35Å; I8-F10 HydrophobicContact CG2-CE1 3.49Å; I8-F10 VanDerWaalsContact CG2-CE1 3.49Å; I8-F10 HydrophobicContact CG2-CE2 3.97Å; I8-F10 HydrophobicContact CG2-CG 4.33Å; I8-F10 HydrophobicContact CG2-CZ 3.52Å; F10-L29 HydrophobicContact CD2-CD2 4.24Å; F10-L29 HydrophobicContact CE2-CD2 3.96Å; F10-W41 HydrophobicContact CB-CD2 3.94Å; F10-W41 HydrophobicContact CB-CE3 3.75Å; F10-W41 HydrophobicContact CB-CH2 4.1Å; F10-W41 HydrophobicContact CB-CZ2 4.26Å; F10-W41 HydrophobicContact CB-CZ3 3.84Å; F10-W41 HydrophobicContact CD1-CB 4.21Å; F10-W41 AromaticContact CD1-CD2 3.9Å; F10-W41 HydrophobicContact CD1-CD2 3.9Å; F10-W41 AromaticContact CD1-CE3 3.45Å; F10-W41 HydrophobicContact CD1-CE3 3.45Å; F10-W41 VanDerWaalsContact CD1-CE3 3.45Å; F10-W41 HydrophobicContact CD1-CG 4.22Å; F10-W41 HydrophobicContact CD1-CZ3 4.16Å; F10-W41 HydrophobicContact CD2-CG 4.42Å; F10-W41 HydrophobicContact CE1-CB 3.96Å; F10-W41 HydrophobicContact CE1-CE3 4.23Å; F10-W41 HydrophobicContact CE1-CG 4.45Å; F10-W41 HydrophobicContact CE2-CB 4.38Å; F10-W41 AromaticContact CG-CD2 3.89Å; F10-W41 HydrophobicContact CG-CD2 3.89Å; F10-W41 AromaticContact CG-CE3 3.78Å; F10-W41 HydrophobicContact CG-CE3 3.78Å; F10-W41 HydrophobicContact CG-CG 4.2Å; F10-W41 HydrophobicContact CG-CZ3 4.36Å; F10-W41 HydrophobicContact CZ-CB 4.05Å; F10-V290 HydrophobicContact CB-CB 4.11Å; F10-V290 HydrophobicContact CD2-CB 4.23Å; F10-V290 HydrophobicContact CD2-CG1 4.19Å; F10-V290 PolarHBondContact N-O 2.98Å; F10-V290 PolarHBondContact O-N 3Å; F10-V290 VanDerWaalsContact O-N 3.12Å; F10-L292 HydrophobicContact CE2-CB 4.06Å
11	K	92.4	Very high	91.6	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.7	176.1	-104.4	155.4	-177.8	166.7	0	109.3	H9 Q289	H9-K11 WeakPolarHBondContact CE1-CD 3.49Å; H9-K11 WeakPolarHBondContact CE1-CE 3.46Å; K11-Q289 HydrophobicContact CG-CG 4.15Å
12	G	91.6	Very high	93	Very high	37 Å²	37	50.5 Å²	50.5	38%	0.381	26%	0.26	S	S	.	.			trans	171.9	-25.7	174	0	0	0	0	0	115.5	M39	G12-M39 VanDerWaalsContact C-CE 3.41Å; G12-M39 WeakPolarHBondContact O-CE 3.48Å
13	H	95.1	Very high	93.9	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.042	24%	0.237	C	C	.	.			trans	-64.3	155.5	168.5	-79.1	-65.8	0	0	0	111.1	I17 S31 S33 D35	H13-I17 HydrophobicContact CB-CG1 4.46Å; H13-S31 PolarHBondContact CD2-OG 3.2Å; H13-S31 PolarHBondContact NE2-O 3.41Å; H13-S31 PolarHBondContact NE2-OG 3.25Å; H13-S33 WeakPolarHBondContact ND1-CB 3.25Å; H13-D35 WeakPolarHBondContact CA-OD2 3.5Å; H13-D35 IonicContact CE1-OD1 3.99Å; H13-D35 IonicContact CG-OD2 2.63Å; H13-D35 IonicContact ND1-OD1 3.41Å; H13-D35 PolarHBondContact ND1-OD1 2.99Å; H13-D35 IonicContact ND1-OD2 2.95Å; H13-D35 PolarHBondContact ND1-OD2 3.03Å
14	K	95.5	Very high	94.3	Very high	156 Å²	156	42.5 Å²	42.5	68%	0.678	22%	0.223	S	C	*	.	S	Bend	trans	-109.9	5	-179.2	-61.7	-175.9	175.7	-175	0	113.6	D35	K14-D35 HydrophobicContact CB-CB 4.21Å; K14-D35 PolarHBondContact N-OD2 3.46Å; K14-D35 VanDerWaalsContact N-OD2 3.08Å
15	D	96.7	Very high	94.5	Very high	65 Å²	65	46.6 Å²	46.6	35%	0.348	25%	0.248	S	C	.	.	S	Bend	trans	-160.5	172.1	-176.8	-153.6	-27.4	0	0	0	108.6	I17 S33 M34 D35	D15-I17 PolarHBondContact O-N 3.44Å; D15-S33 VanDerWaalsContact C-OG 3.27Å; D15-S33 PolarHBondContact O-OG 3.05Å; D15-M34 HydrophobicContact CB-CB 3.91Å; D15-M34 VanDerWaalsContact CG-CB 3.5Å; D15-D35 HydrophobicContact CB-CB 3.93Å
16	S	96.9	Very high	94.5	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.07	24%	0.244	C	C	.	.			trans	-48.3	134.1	-178.2	171.9	0	0	0	0	113.1	S33 M34 N286	S16-S33 CarbonylContact O-C 3.58Å; S16-S33 VanDerWaalsContact O-CA 3.22Å; S16-S33 WeakPolarHBondContact O-CA 3.26Å; S16-S33 WeakPolarHBondContact O-CB 3.32Å; S16-S33 PolarHBondContact O-OG 3.42Å; S16-M34 PolarHBondContact O-N 3.33Å; S16-N286 VanDerWaalsContact CB-OD1 3.31Å; S16-N286 WeakPolarHBondContact CB-OD1 3.46Å; S16-N286 PolarHBondContact OG-OD1 3.06Å
17	I	97.9	Very high	94.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.1	176.2	-65.8	143	0	0	0	109	H13 D15 V20 C32 T270 A271 G285 E288 Q289 V290	H13-I17 HydrophobicContact CB-CG1 4.46Å; D15-I17 PolarHBondContact O-N 3.44Å; I17-V20 HydrophobicContact CG2-CG1 3.9Å; I17-C32 CarbonylContact C-O 3.58Å; I17-C32 WeakPolarHBondContact CA-O 3.36Å; I17-T270 VanDerWaalsContact O-CB 3.27Å; I17-T270 WeakPolarHBondContact O-CB 3.22Å; I17-T270 PolarHBondContact O-OG1 2.74Å; I17-A271 HydrophobicContact CG2-CB 3.99Å; I17-G285 PolarHBondContact N-O 3.38Å; I17-G285 VanDerWaalsContact N-O 3.1Å; I17-E288 VanDerWaalsContact CD1-C 3.45Å; I17-Q289 VanDerWaalsContact CD1-N 3.29Å; I17-Q289 WeakPolarHBondContact CD1-O 3.22Å; I17-V290 HydrophobicContact CD1-CB 4.37Å; I17-V290 HydrophobicContact CD1-CG2 3.39Å; I17-V290 HydrophobicContact CG1-CG2 3.99Å; I17-V290 HydrophobicContact CG2-CG2 4.26Å
18	T	97.5	Very high	94.7	Very high	17 Å²	17	45.8 Å²	45.8	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-30.4	-172.9	54.1	0	0	0	0	113.1	C32 M34 V59 F60	T18-C32 PolarHBondContact N-O 3.31Å; T18-C32 PolarHBondContact OG1-O 3.22Å; T18-C32 PolarHBondContact OG1-SG 3.29Å; T18-M34 HydrophobicContact CG2-CG 3.74Å; T18-M34 HydrophobicContact CG2-SD 3.57Å; T18-M34 VanDerWaalsContact CG2-SD 3.57Å; T18-V59 WeakPolarHBondContact CB-O 3.27Å; T18-V59 WeakPolarHBondContact CG2-O 3.37Å; T18-V59 PolarHBondContact OG1-O 3.5Å; T18-F60 HydrophobicContact CG2-CD1 4.44Å
19	C	97.8	Very high	94.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	152	178.6	-168.3	0	0	0	0	110.4	S31 C32 V62 W103	C19-S31 WeakPolarHBondContact O-CA 3.3Å; C19-C32 VanDerWaalsContact CB-SG 3.55Å; C19-C32 PolarHBondContact O-N 3.19Å; C19-V62 HydrophobicContact CB-CG1 4.15Å; C19-W103 HydrophobicContact CB-CH2 4.42Å; C19-W103 VanDerWaalsContact SG-CH2 3.58Å
20	V	97.7	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.9	171.9	-63	0	0	0	0	108.8	I17 L29 A30 A271 A273 A282 V290	I17-V20 HydrophobicContact CG2-CG1 3.9Å; V20-L29 HydrophobicContact CB-CD1 4.3Å; V20-A30 CarbonylContact C-O 3.57Å; V20-A30 VanDerWaalsContact CA-O 3.22Å; V20-A30 WeakPolarHBondContact CA-O 3.28Å; V20-A271 HydrophobicContact CG1-CB 4.04Å; V20-A271 HydrophobicContact CG2-CB 4.1Å; V20-A273 HydrophobicContact CG2-CB 4.04Å; V20-A282 HydrophobicContact CG2-CB 4.05Å; V20-V290 HydrophobicContact CG1-CG1 4.08Å; V20-V290 HydrophobicContact CG1-CG2 4.41Å
21	D	97.8	Very high	95.4	Very high	16 Å²	16	39.2 Å²	39.2	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	145.5	174.2	-160.3	36	0	0	0	111.1	A30 V62 R63 F64	D21-A30 PolarHBondContact N-O 3.08Å; D21-A30 PolarHBondContact O-N 3.32Å; D21-V62 HydrophobicContact CB-CG1 4.37Å; D21-R63 IonicContact OD1-CZ 3.99Å; D21-R63 IonicContact OD1-NH1 3.79Å; D21-R63 PolarHBondContact OD1-NH1 2.94Å; D21-R63 VanDerWaalsContact OD2-CA 3.25Å; D21-R63 WeakPolarHBondContact OD2-CA 3.18Å; D21-R63 IonicContact OD2-NH1 2.78Å; D21-F64 HydrophobicContact CB-CD2 4.26Å; D21-F64 WeakPolarHBondContact O-CE2 3.48Å; D21-F64 PolarHBondContact OD2-N 3.43Å
22	F	97	Very high	95.6	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	146.1	178.4	-74.5	-92.4	0	0	0	110.4	L29 I43 F64 A273 F274 H280 A282 L292	F22-L29 HydrophobicContact CD1-CD1 3.98Å; F22-L29 HydrophobicContact CD2-CD1 3.95Å; F22-L29 HydrophobicContact CE1-CD1 3.87Å; F22-L29 HydrophobicContact CE2-CD1 3.83Å; F22-L29 HydrophobicContact CG-CD1 4.03Å; F22-L29 HydrophobicContact CZ-CD1 3.81Å; F22-I43 HydrophobicContact CD1-CD1 4.08Å; F22-I43 HydrophobicContact CE1-CD1 3.85Å; F22-F64 VanDerWaalsContact O-CD2 3.25Å; F22-F64 WeakPolarHBondContact O-CD2 3.45Å; F22-A273 WeakPolarHBondContact CE2-O 3.42Å; F22-F274 WeakPolarHBondContact CD2-O 3.17Å; F22-H280 HydrophobicContact CZ-CB 4.45Å; F22-A282 HydrophobicContact CE2-CB 3.63Å; F22-A282 HydrophobicContact CZ-CB 3.58Å; F22-L292 HydrophobicContact CE1-CD1 3.61Å; F22-L292 HydrophobicContact CZ-CD1 3.53Å
23	N	94.8	Very high	95.9	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.064	16%	0.163	C	C	.	.			trans	-66.6	152.8	165.5	77.4	-10.9	0	0	0	109.9	T25 G26 K27 Q28 F64	N23-T25 PolarHBondContact ND2-OG1 3.4Å; N23-T25 PolarHBondContact O-N 2.99Å; N23-T25 PolarHBondContact OD1-OG1 3.36Å; N23-G26 PolarHBondContact O-N 3.48Å; N23-G26 WeakPolarHBondContact OD1-CA 3.45Å; N23-G26 PolarHBondContact OD1-N 3.44Å; N23-K27 PolarHBondContact OD1-N 3.07Å; N23-Q28 HydrophobicContact CB-CB 4.1Å; N23-Q28 VanDerWaalsContact CG-N 3.28Å; N23-Q28 PolarHBondContact N-O 3.05Å; N23-Q28 WeakPolarHBondContact ND2-CB 3.27Å; N23-Q28 PolarHBondContact ND2-N 2.96Å; N23-Q28 PolarHBondContact OD1-N 3.33Å; N23-Q28 PolarHBondContact OD1-O 3.31Å; N23-F64 HydrophobicContact CB-CD1 3.94Å; N23-F64 HydrophobicContact CB-CD2 4.25Å; N23-F64 HydrophobicContact CB-CE1 3.75Å; N23-F64 HydrophobicContact CB-CE2 4.06Å; N23-F64 HydrophobicContact CB-CG 4.18Å; N23-F64 HydrophobicContact CB-CZ 3.82Å
24	P	93.5	Very high	96	Very high	50 Å²	50	31.6 Å²	31.6	33%	0.325	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.1	-178.2	-27.8	35	0	0	0	113.7	G26 S65 P66	P24-G26 VanDerWaalsContact C-N 3.31Å; P24-G26 PolarHBondContact O-N 3.49Å; P24-S65 WeakPolarHBondContact CG-O 3.4Å; P24-P66 WeakPolarHBondContact CG-O 3.47Å
25	T	93.3	Very high	96.1	Very high	94 Å²	94	25.6 Å²	25.6	58%	0.577	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.5	178.1	70.1	0	0	0	0	114.6	N23 K27	N23-T25 PolarHBondContact ND2-OG1 3.4Å; N23-T25 PolarHBondContact O-N 2.99Å; N23-T25 PolarHBondContact OD1-OG1 3.36Å; T25-K27 PolarHBondContact O-N 3.11Å
26	G	90.9	Very high	96.1	Very high	29 Å²	29	23.4 Å²	23.4	30%	0.299	13%	0.134	S	C	.	.	S	Bend	trans	65.3	17.6	-175.7	0	0	0	0	0	115.1	N23 P24 I43	N23-G26 PolarHBondContact O-N 3.48Å; N23-G26 WeakPolarHBondContact OD1-CA 3.45Å; N23-G26 PolarHBondContact OD1-N 3.44Å; P24-G26 VanDerWaalsContact C-N 3.31Å; P24-G26 PolarHBondContact O-N 3.49Å; G26-I43 WeakPolarHBondContact O-CD1 3.39Å
27	K	92.5	Very high	96	Very high	130 Å²	130	23.4 Å²	23.4	57%	0.565	13%	0.134	S	C	*	.	S	Bend	trans	-95.6	-22.2	179.6	-66.3	176.8	-177.8	170	0	113.5	N23 T25 I43	N23-K27 PolarHBondContact OD1-N 3.07Å; T25-K27 PolarHBondContact O-N 3.11Å; K27-I43 PolarHBondContact O-N 3.18Å
28	Q	93.9	Very high	96	Very high	41 Å²	41	23.5 Å²	23.5	19%	0.192	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.4	-177.6	-60.5	-179.4	-23.7	0	0	110.7	N23 I40 W41 N42	N23-Q28 HydrophobicContact CB-CB 4.1Å; N23-Q28 VanDerWaalsContact CG-N 3.28Å; N23-Q28 PolarHBondContact N-O 3.05Å; N23-Q28 WeakPolarHBondContact ND2-CB 3.27Å; N23-Q28 PolarHBondContact ND2-N 2.96Å; N23-Q28 PolarHBondContact OD1-N 3.33Å; N23-Q28 PolarHBondContact OD1-O 3.31Å; Q28-I40 HydrophobicContact CB-CG2 4.14Å; Q28-I40 HydrophobicContact CG-CG2 4.43Å; Q28-W41 CarbonylContact C-O 3.57Å; Q28-W41 WeakPolarHBondContact CA-O 3.28Å; Q28-N42 VanDerWaalsContact CG-OD1 3.29Å; Q28-N42 WeakPolarHBondContact CG-OD1 3.34Å; Q28-N42 PolarHBondContact NE2-OD1 3.38Å
29	L	95.9	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129	174.2	178.6	70.5	0	0	0	107.6	F10 V20 F22 I40 W41 A282 V290	F10-L29 HydrophobicContact CD2-CD2 4.24Å; F10-L29 HydrophobicContact CE2-CD2 3.96Å; V20-L29 HydrophobicContact CB-CD1 4.3Å; F22-L29 HydrophobicContact CD1-CD1 3.98Å; F22-L29 HydrophobicContact CD2-CD1 3.95Å; F22-L29 HydrophobicContact CE1-CD1 3.87Å; F22-L29 HydrophobicContact CE2-CD1 3.83Å; F22-L29 HydrophobicContact CG-CD1 4.03Å; F22-L29 HydrophobicContact CZ-CD1 3.81Å; L29-I40 CarbonylContact O-C 3.58Å; L29-I40 WeakPolarHBondContact O-CA 3.29Å; L29-W41 HydrophobicContact CB-CB 4.31Å; L29-W41 PolarHBondContact N-O 3.27Å; L29-W41 VanDerWaalsContact O-CD1 3.28Å; L29-W41 PolarHBondContact O-N 2.8Å; L29-A282 HydrophobicContact CD1-CB 3.61Å; L29-A282 HydrophobicContact CD2-CB 3.78Å; L29-A282 HydrophobicContact CG-CB 4.37Å; L29-V290 HydrophobicContact CD2-CG1 3.59Å
30	A	96.9	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.7	169.1	0	0	0	0	0	109.6	V20 D21 L38 M39 I40 V62 F64	V20-A30 CarbonylContact C-O 3.57Å; V20-A30 VanDerWaalsContact CA-O 3.22Å; V20-A30 WeakPolarHBondContact CA-O 3.28Å; D21-A30 PolarHBondContact N-O 3.08Å; D21-A30 PolarHBondContact O-N 3.32Å; A30-L38 HydrophobicContact CB-CD1 4.16Å; A30-M39 CarbonylContact C-O 3.57Å; A30-M39 WeakPolarHBondContact CA-O 3.49Å; A30-I40 HydrophobicContact CB-CD1 3.47Å; A30-I40 VanDerWaalsContact CB-CD1 3.47Å; A30-V62 HydrophobicContact CB-CG1 4.37Å; A30-V62 HydrophobicContact CB-CG2 3.76Å; A30-F64 HydrophobicContact CB-CD2 4.23Å; A30-F64 HydrophobicContact CB-CE2 3.33Å; A30-F64 HydrophobicContact CB-CZ 3.75Å
31	S	97.5	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.4	169.3	63.5	0	0	0	0	110.5	H13 C19 M39 W41	H13-S31 PolarHBondContact CD2-OG 3.2Å; H13-S31 PolarHBondContact NE2-O 3.41Å; H13-S31 PolarHBondContact NE2-OG 3.25Å; C19-S31 WeakPolarHBondContact O-CA 3.3Å; S31-M39 PolarHBondContact N-O 3.04Å; S31-M39 PolarHBondContact O-N 3.06Å; S31-W41 PolarHBondContact OG-NE1 2.74Å
32	C	97.4	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.7	171.8	66.1	0	0	0	0	110.6	I17 T18 C19 V59 V62	I17-C32 CarbonylContact C-O 3.58Å; I17-C32 WeakPolarHBondContact CA-O 3.36Å; T18-C32 PolarHBondContact N-O 3.31Å; T18-C32 PolarHBondContact OG1-O 3.22Å; T18-C32 PolarHBondContact OG1-SG 3.29Å; C19-C32 VanDerWaalsContact CB-SG 3.55Å; C19-C32 PolarHBondContact O-N 3.19Å; C32-V59 HydrophobicContact CB-CB 3.82Å; C32-V59 HydrophobicContact CB-CG1 3.48Å; C32-V59 VanDerWaalsContact CB-CG1 3.48Å; C32-V62 HydrophobicContact CB-CB 4.19Å; C32-V62 HydrophobicContact CB-CG1 4.3Å
33	S	97.7	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	165.7	-171.9	164.6	0	0	0	0	111.9	H13 D15 S16 D35 A36 C37 V59	H13-S33 WeakPolarHBondContact ND1-CB 3.25Å; D15-S33 VanDerWaalsContact C-OG 3.27Å; D15-S33 PolarHBondContact O-OG 3.05Å; S16-S33 CarbonylContact O-C 3.58Å; S16-S33 VanDerWaalsContact O-CA 3.22Å; S16-S33 WeakPolarHBondContact O-CA 3.26Å; S16-S33 WeakPolarHBondContact O-CB 3.32Å; S16-S33 PolarHBondContact O-OG 3.42Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.36Å; S33-D35 PolarHBondContact O-N 3.29Å; S33-D35 VanDerWaalsContact OG-CG 3.31Å; S33-D35 PolarHBondContact OG-N 3.3Å; S33-D35 VanDerWaalsContact OG-N 3.1Å; S33-D35 PolarHBondContact OG-OD1 2.8Å; S33-A36 PolarHBondContact O-N 3.15Å; S33-C37 PolarHBondContact N-O 3.41Å; S33-V59 PolarHBondContact O-N 3.37Å; S33-V59 VanDerWaalsContact O-N 3.13Å
34	M	97.4	Very high	94.7	Very high	30 Å²	30	31.9 Å²	31.9	15%	0.148	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.1	167.7	-63.8	-61.9	-67.8	0	0	112.5	D15 S16 T18 A36 A58 F60 F389	D15-M34 HydrophobicContact CB-CB 3.91Å; D15-M34 VanDerWaalsContact CG-CB 3.5Å; S16-M34 PolarHBondContact O-N 3.33Å; T18-M34 HydrophobicContact CG2-CG 3.74Å; T18-M34 HydrophobicContact CG2-SD 3.57Å; T18-M34 VanDerWaalsContact CG2-SD 3.57Å; M34-A36 PolarHBondContact O-N 3.45Å; M34-A58 HydrophobicContact CB-CB 4.41Å; M34-A58 HydrophobicContact CE-CB 3.64Å; M34-A58 HydrophobicContact SD-CB 3.56Å; M34-A58 VanDerWaalsContact SD-CB 3.56Å; M34-F60 HydrophobicContact CE-CE1 4.41Å; M34-F60 HydrophobicContact SD-CD1 4.34Å; M34-F60 HydrophobicContact SD-CE1 3.9Å; M34-F389 HydrophobicContact CE-CB 4.46Å; M34-F389 HydrophobicContact CE-CG 4.44Å
35	D	96.6	Very high	93.9	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	9.9	175.2	74.7	2.3	0	0	0	115	H13 K14 D15 S33 C37	H13-D35 WeakPolarHBondContact CA-OD2 3.5Å; H13-D35 IonicContact CE1-OD1 3.99Å; H13-D35 IonicContact CG-OD2 2.63Å; H13-D35 IonicContact ND1-OD1 3.41Å; H13-D35 PolarHBondContact ND1-OD1 2.99Å; H13-D35 IonicContact ND1-OD2 2.95Å; H13-D35 PolarHBondContact ND1-OD2 3.03Å; K14-D35 HydrophobicContact CB-CB 4.21Å; K14-D35 PolarHBondContact N-OD2 3.46Å; K14-D35 VanDerWaalsContact N-OD2 3.08Å; D15-D35 HydrophobicContact CB-CB 3.93Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.36Å; S33-D35 PolarHBondContact O-N 3.29Å; S33-D35 VanDerWaalsContact OG-CG 3.31Å; S33-D35 PolarHBondContact OG-N 3.3Å; S33-D35 VanDerWaalsContact OG-N 3.1Å; S33-D35 PolarHBondContact OG-OD1 2.8Å; D35-C37 PolarHBondContact O-N 2.91Å; D35-C37 PolarHBondContact O-SG 3.15Å; D35-C37 WeakPolarHBondContact OD1-CA 3.47Å; D35-C37 WeakPolarHBondContact OD1-CB 3.46Å; D35-C37 PolarHBondContact OD1-N 3.12Å
36	A	96.6	Very high	93	Very high	19 Å²	19	40.1 Å²	40.1	16%	0.157	21%	0.207	C	C	.	.	S	Bend	trans	61.2	14.6	-177	0	0	0	0	0	115.1	S33 M34 D57	S33-A36 PolarHBondContact O-N 3.15Å; M34-A36 PolarHBondContact O-N 3.45Å; A36-D57 WeakPolarHBondContact CB-O 3.47Å
37	C	96	Very high	92.6	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.068	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.6	-177.8	-54.7	0	0	0	0	112.3	S33 D35 K51	S33-C37 PolarHBondContact N-O 3.41Å; D35-C37 PolarHBondContact O-N 2.91Å; D35-C37 PolarHBondContact O-SG 3.15Å; D35-C37 WeakPolarHBondContact OD1-CA 3.47Å; D35-C37 WeakPolarHBondContact OD1-CB 3.46Å; D35-C37 PolarHBondContact OD1-N 3.12Å; C37-K51 HydrophobicContact CB-CG 4.44Å; C37-K51 WeakPolarHBondContact SG-CE 3.24Å; C37-K51 PolarHBondContact SG-NZ 3.13Å
38	L	96.6	Very high	92.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.5	165.2	167.4	65.1	0	0	0	107.7	A30 I40 F52 V62 I71 T73 W83	A30-L38 HydrophobicContact CB-CD1 4.16Å; L38-I40 HydrophobicContact CD1-CD1 3.97Å; L38-I40 HydrophobicContact CD2-CD1 4.44Å; L38-I40 HydrophobicContact CG-CD1 4.16Å; L38-F52 HydrophobicContact CB-CB 4.26Å; L38-F52 HydrophobicContact CD2-CD2 3.8Å; L38-F52 HydrophobicContact CG-CD2 4.11Å; L38-F52 PolarHBondContact N-O 2.52Å; L38-F52 PolarHBondContact O-N 3.28Å; L38-V62 HydrophobicContact CD1-CB 4.43Å; L38-V62 HydrophobicContact CD1-CG2 3.69Å; L38-I71 HydrophobicContact CD1-CG2 4.37Å; L38-I71 HydrophobicContact CD2-CG2 3.84Å; L38-T73 HydrophobicContact CB-CG2 4.4Å; L38-T73 HydrophobicContact CD1-CG2 4.17Å; L38-T73 HydrophobicContact CD2-CG2 3.81Å; L38-T73 HydrophobicContact CG-CG2 4.36Å; L38-W83 HydrophobicContact CD2-CB 4.49Å; L38-W83 HydrophobicContact CD2-CD2 4.05Å; L38-W83 HydrophobicContact CD2-CG 3.87Å
39	M	95.7	Very high	92	Very high	9 Å²	9	46 Å²	46	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.5	172.5	-68.2	-166.5	-179.8	0	0	110.9	G12 A30 S31 W41 Y50 K51	G12-M39 VanDerWaalsContact C-CE 3.41Å; G12-M39 WeakPolarHBondContact O-CE 3.48Å; A30-M39 CarbonylContact C-O 3.57Å; A30-M39 WeakPolarHBondContact CA-O 3.49Å; S31-M39 PolarHBondContact N-O 3.04Å; S31-M39 PolarHBondContact O-N 3.06Å; M39-W41 HydrophobicContact CB-CZ2 3.78Å; M39-W41 HydrophobicContact CG-CZ2 4.22Å; M39-W41 HydrophobicContact SD-CH2 3.62Å; M39-W41 HydrophobicContact SD-CZ2 3.4Å; M39-W41 WeakPolarHBondContact SD-CZ2 3.4Å; M39-Y50 CarbonylContact C-O 3.58Å; M39-Y50 VanDerWaalsContact CA-O 3.25Å; M39-Y50 WeakPolarHBondContact CA-O 3.33Å; M39-K51 HydrophobicContact CE-CB 4.47Å; M39-K51 HydrophobicContact CE-CD 3.79Å; M39-K51 HydrophobicContact CE-CG 4.04Å; M39-K51 HydrophobicContact CG-CG 4.44Å
40	I	95.2	Very high	91.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116	174.3	-50.9	-58.7	0	0	0	108.6	Q28 L29 A30 L38 A49 Y50 F52 F64 I71	Q28-I40 HydrophobicContact CB-CG2 4.14Å; Q28-I40 HydrophobicContact CG-CG2 4.43Å; L29-I40 CarbonylContact O-C 3.58Å; L29-I40 WeakPolarHBondContact O-CA 3.29Å; A30-I40 HydrophobicContact CB-CD1 3.47Å; A30-I40 VanDerWaalsContact CB-CD1 3.47Å; L38-I40 HydrophobicContact CD1-CD1 3.97Å; L38-I40 HydrophobicContact CD2-CD1 4.44Å; L38-I40 HydrophobicContact CG-CD1 4.16Å; I40-A49 CarbonylContact O-C 3.58Å; I40-A49 WeakPolarHBondContact O-CA 2.96Å; I40-A49 WeakPolarHBondContact O-CB 3.06Å; I40-Y50 HydrophobicContact CB-CD2 4.36Å; I40-Y50 PolarHBondContact N-O 2.94Å; I40-Y50 PolarHBondContact O-N 3.17Å; I40-F52 HydrophobicContact CG1-CD2 4.19Å; I40-F52 HydrophobicContact CG1-CE2 3.65Å; I40-F52 HydrophobicContact CG1-CZ 4.45Å; I40-F64 HydrophobicContact CD1-CZ 4.32Å; I40-I71 HydrophobicContact CD1-CD1 3.47Å; I40-I71 VanDerWaalsContact CD1-CD1 3.47Å; I40-I71 HydrophobicContact CG1-CD1 4.06Å
41	W	94.1	Very high	91.6	Very high	19 Å²	19	54 Å²	54	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.9	179.5	-45.6	89.6	0	0	0	109	F10 Q28 L29 S31 M39 A49	F10-W41 HydrophobicContact CB-CD2 3.94Å; F10-W41 HydrophobicContact CB-CE3 3.75Å; F10-W41 HydrophobicContact CB-CH2 4.1Å; F10-W41 HydrophobicContact CB-CZ2 4.26Å; F10-W41 HydrophobicContact CB-CZ3 3.84Å; F10-W41 HydrophobicContact CD1-CB 4.21Å; F10-W41 AromaticContact CD1-CD2 3.9Å; F10-W41 HydrophobicContact CD1-CD2 3.9Å; F10-W41 AromaticContact CD1-CE3 3.45Å; F10-W41 HydrophobicContact CD1-CE3 3.45Å; F10-W41 VanDerWaalsContact CD1-CE3 3.45Å; F10-W41 HydrophobicContact CD1-CG 4.22Å; F10-W41 HydrophobicContact CD1-CZ3 4.16Å; F10-W41 HydrophobicContact CD2-CG 4.42Å; F10-W41 HydrophobicContact CE1-CB 3.96Å; F10-W41 HydrophobicContact CE1-CE3 4.23Å; F10-W41 HydrophobicContact CE1-CG 4.45Å; F10-W41 HydrophobicContact CE2-CB 4.38Å; F10-W41 AromaticContact CG-CD2 3.89Å; F10-W41 HydrophobicContact CG-CD2 3.89Å; F10-W41 AromaticContact CG-CE3 3.78Å; F10-W41 HydrophobicContact CG-CE3 3.78Å; F10-W41 HydrophobicContact CG-CG 4.2Å; F10-W41 HydrophobicContact CG-CZ3 4.36Å; F10-W41 HydrophobicContact CZ-CB 4.05Å; Q28-W41 CarbonylContact C-O 3.57Å; Q28-W41 WeakPolarHBondContact CA-O 3.28Å; L29-W41 HydrophobicContact CB-CB 4.31Å; L29-W41 PolarHBondContact N-O 3.27Å; L29-W41 VanDerWaalsContact O-CD1 3.28Å; L29-W41 PolarHBondContact O-N 2.8Å; S31-W41 PolarHBondContact OG-NE1 2.74Å; M39-W41 HydrophobicContact CB-CZ2 3.78Å; M39-W41 HydrophobicContact CG-CZ2 4.22Å; M39-W41 HydrophobicContact SD-CH2 3.62Å; M39-W41 HydrophobicContact SD-CZ2 3.4Å; M39-W41 WeakPolarHBondContact SD-CZ2 3.4Å; W41-A49 HydrophobicContact CD2-CB 3.97Å; W41-A49 HydrophobicContact CE3-CB 3.41Å; W41-A49 VanDerWaalsContact CE3-CB 3.41Å; W41-A49 HydrophobicContact CH2-CB 4.35Å; W41-A49 HydrophobicContact CZ3-CB 3.63Å
42	N	92.5	Very high	91.4	Very high	29 Å²	29	54.5 Å²	54.5	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.5	167.3	-74.6	-50.5	0	0	0	107.8	Q28 K44 T47	Q28-N42 VanDerWaalsContact CG-OD1 3.29Å; Q28-N42 WeakPolarHBondContact CG-OD1 3.34Å; Q28-N42 PolarHBondContact NE2-OD1 3.38Å; N42-K44 VanDerWaalsContact C-N 3.26Å; N42-K44 PolarHBondContact O-N 3.35Å; N42-T47 HydrophobicContact CB-CG2 4.29Å; N42-T47 WeakPolarHBondContact CB-OG1 3.35Å; N42-T47 PolarHBondContact O-OG1 3.12Å
43	I	90.5	Very high	91.2	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.149	30%	0.295	C	S	.	.	S	Bend	trans	-75.7	-19.2	-176.4	-64.7	175.9	0	0	0	111.7	I8 F22 G26 K27 L292	I8-I43 HydrophobicContact CD1-CG2 4.3Å; I8-I43 WeakPolarHBondContact CD1-O 3.12Å; F22-I43 HydrophobicContact CD1-CD1 4.08Å; F22-I43 HydrophobicContact CE1-CD1 3.85Å; G26-I43 WeakPolarHBondContact O-CD1 3.39Å; K27-I43 PolarHBondContact O-N 3.18Å; I43-L292 HydrophobicContact CD1-CD2 4.34Å; I43-L292 HydrophobicContact CG1-CD2 4.23Å; I43-L292 HydrophobicContact CG2-CD2 3.69Å
44	K	87.6	Confident	90.9	Very high	147 Å²	147	60.2 Å²	60.2	64%	0.639	31%	0.311	S	S	*	.	S	Bend	trans	-62.4	140.9	173.7	-70.1	-173.4	177.4	-175.8	0	110.3	N42 T47	N42-K44 VanDerWaalsContact C-N 3.26Å; N42-K44 PolarHBondContact O-N 3.35Å; K44-T47 HydrophobicContact CB-CG2 4.35Å; K44-T47 PolarHBondContact O-OG1 3.3Å
45	P	76.4	Confident	90.8	Very high	113 Å²	113	59.5 Å²	59.5	73%	0.734	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	148.6	174.7	-23.6	32.5	0	0	0	112	T47	P45-T47 PolarHBondContact O-N 2.96Å; P45-T47 VanDerWaalsContact O-N 3.12Å
46	Q	76.1	Confident	90.8	Very high	203 Å²	203	67.3 Å²	67.3	95%	0.949	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	5.9	170.2	-55.3	179.8	-11.4	0	0	117.2
47	T	81.4	Confident	90.8	Very high	63 Å²	63	69.6 Å²	69.6	39%	0.387	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-84.6	134	172.8	46.3	0	0	0	0	111.6	N42 K44 P45	N42-T47 HydrophobicContact CB-CG2 4.29Å; N42-T47 WeakPolarHBondContact CB-OG1 3.35Å; N42-T47 PolarHBondContact O-OG1 3.12Å; K44-T47 HydrophobicContact CB-CG2 4.35Å; K44-T47 PolarHBondContact O-OG1 3.3Å; P45-T47 PolarHBondContact O-N 2.96Å; P45-T47 VanDerWaalsContact O-N 3.12Å
48	R	84.3	Confident	90.9	Very high	223 Å²	223	69.1 Å²	69.1	84%	0.842	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-68.3	146.3	174.8	-66.3	-176.3	179.6	-176.8	-0.1	110.6
49	A	89.3	Confident	90.9	Very high	38 Å²	38	69 Å²	69	31%	0.314	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-77.9	146.6	170.1	0	0	0	0	0	110.7	I40 W41	I40-A49 CarbonylContact O-C 3.58Å; I40-A49 WeakPolarHBondContact O-CA 2.96Å; I40-A49 WeakPolarHBondContact O-CB 3.06Å; W41-A49 HydrophobicContact CD2-CB 3.97Å; W41-A49 HydrophobicContact CE3-CB 3.41Å; W41-A49 VanDerWaalsContact CE3-CB 3.41Å; W41-A49 HydrophobicContact CH2-CB 4.35Å; W41-A49 HydrophobicContact CZ3-CB 3.63Å
50	Y	91.1	Very high	91.1	Very high	76 Å²	76	69.3 Å²	69.3	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.4	168.3	-56.1	-62.8	0	0	0	109.3	M39 I40 F52 I87	M39-Y50 CarbonylContact C-O 3.58Å; M39-Y50 VanDerWaalsContact CA-O 3.25Å; M39-Y50 WeakPolarHBondContact CA-O 3.33Å; I40-Y50 HydrophobicContact CB-CD2 4.36Å; I40-Y50 PolarHBondContact N-O 2.94Å; I40-Y50 PolarHBondContact O-N 3.17Å; Y50-F52 HydrophobicContact CG-CZ 4.5Å; Y50-I87 HydrophobicContact CE1-CB 4.37Å; Y50-I87 HydrophobicContact CE1-CG1 3.8Å; Y50-I87 HydrophobicContact CE1-CG2 4.3Å
51	K	93.7	Very high	91.2	Very high	91 Å²	91	69.2 Å²	69.2	40%	0.396	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.6	175	-179.1	177.8	-175.8	161.3	0	109.1	C37 M39	C37-K51 HydrophobicContact CB-CG 4.44Å; C37-K51 WeakPolarHBondContact SG-CE 3.24Å; C37-K51 PolarHBondContact SG-NZ 3.13Å; M39-K51 HydrophobicContact CE-CB 4.47Å; M39-K51 HydrophobicContact CE-CD 3.79Å; M39-K51 HydrophobicContact CE-CG 4.04Å; M39-K51 HydrophobicContact CG-CG 4.44Å
52	F	93.9	Very high	91.4	Very high	12 Å²	12	68.3 Å²	68.3	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121	176	-55.4	-38.5	0	0	0	109.8	L38 I40 Y50 W83 S86	L38-F52 HydrophobicContact CB-CB 4.26Å; L38-F52 HydrophobicContact CD2-CD2 3.8Å; L38-F52 HydrophobicContact CG-CD2 4.11Å; L38-F52 PolarHBondContact N-O 2.52Å; L38-F52 PolarHBondContact O-N 3.28Å; I40-F52 HydrophobicContact CG1-CD2 4.19Å; I40-F52 HydrophobicContact CG1-CE2 3.65Å; I40-F52 HydrophobicContact CG1-CZ 4.45Å; Y50-F52 HydrophobicContact CG-CZ 4.5Å; F52-W83 HydrophobicContact CB-CE3 3.86Å; F52-W83 HydrophobicContact CB-CH2 4.04Å; F52-W83 HydrophobicContact CB-CZ3 3.62Å; F52-W83 HydrophobicContact CD2-CE3 4.26Å; F52-W83 HydrophobicContact CG-CE3 4.15Å; F52-W83 HydrophobicContact CG-CZ3 4.31Å; F52-S86 WeakPolarHBondContact CE1-O 3.46Å; F52-S86 WeakPolarHBondContact CZ-O 3.33Å
53	S	92.4	Very high	91.6	Very high	87 Å²	87	68.7 Å²	68.7	61%	0.608	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.2	176.3	-59.4	0	0	0	0	108.2
54	G	91.2	Very high	91.9	Very high	33 Å²	33	67.9 Å²	67.9	34%	0.34	34%	0.337	S	S	.	.			trans	-174.2	-20.7	177.3	0	0	0	0	0	115	K81	G54-K81 WeakPolarHBondContact O-CE 3.32Å; G54-K81 PolarHBondContact O-NZ 2.78Å
55	H	96.2	Very high	92.3	Very high	15 Å²	15	60.9 Å²	60.9	7%	0.069	31%	0.307	C	S	.	.			trans	-71.1	151	165.6	-82	-64.6	0	0	0	110.5	V59 T73 S75 D77 T79	H55-V59 HydrophobicContact CB-CG2 3.9Å; H55-T73 PolarHBondContact CD2-OG1 3.11Å; H55-T73 PolarHBondContact NE2-OG1 3.16Å; H55-S75 VanDerWaalsContact CE1-CB 3.42Å; H55-S75 WeakPolarHBondContact CE1-CB 3.36Å; H55-S75 WeakPolarHBondContact ND1-CB 3.43Å; H55-D77 WeakPolarHBondContact CA-OD2 3.5Å; H55-D77 IonicContact CE1-OD1 3.82Å; H55-D77 IonicContact CE1-OD2 2.95Å; H55-D77 IonicContact CG-OD2 2.99Å; H55-D77 IonicContact ND1-OD1 3.02Å; H55-D77 PolarHBondContact ND1-OD1 3.41Å; H55-D77 IonicContact ND1-OD2 2.78Å; H55-D77 PolarHBondContact ND1-OD2 2.63Å; H55-T79 PolarHBondContact CE1-OG1 3.43Å; H55-T79 VanDerWaalsContact CE1-OG1 3.32Å; H55-T79 PolarHBondContact ND1-OG1 3.05Å
56	K	95.6	Very high	93.1	Very high	194 Å²	194	58.2 Å²	58.2	84%	0.843	29%	0.29	S	S	*	.	S	Bend	trans	-92.7	-10.3	-178.7	-63.8	-177.2	-179.7	-179.1	0	113.3	D77	K56-D77 HydrophobicContact CB-CB 4.12Å; K56-D77 PolarHBondContact N-OD2 3.49Å
57	D	97.2	Very high	94	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	27%	0.267	S	S	.	.	S	Bend	trans	-153.5	174.2	-174.4	-158.1	-20.7	0	0	0	108.8	A36 V59 S75 R76 D77	A36-D57 WeakPolarHBondContact CB-O 3.47Å; D57-V59 PolarHBondContact O-N 3.45Å; D57-S75 PolarHBondContact O-OG 2.77Å; D57-R76 HydrophobicContact CB-CB 4Å; D57-R76 WeakPolarHBondContact OD2-CD 3.28Å; D57-D77 HydrophobicContact CB-CB 4Å
58	A	97.5	Very high	94.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.259	C	S	.	.			trans	-43.6	131.7	-177.1	0	0	0	0	0	113.2	M34 F60 S75 R76	M34-A58 HydrophobicContact CB-CB 4.41Å; M34-A58 HydrophobicContact CE-CB 3.64Å; M34-A58 HydrophobicContact SD-CB 3.56Å; M34-A58 VanDerWaalsContact SD-CB 3.56Å; A58-F60 HydrophobicContact CB-CE1 4.26Å; A58-F60 HydrophobicContact CB-CZ 4.45Å; A58-S75 VanDerWaalsContact O-CA 3.32Å; A58-S75 WeakPolarHBondContact O-CA 3.32Å; A58-S75 WeakPolarHBondContact O-CB 3.29Å; A58-S75 PolarHBondContact O-OG 2.96Å; A58-R76 HydrophobicContact CB-CB 4.36Å; A58-R76 PolarHBondContact O-N 2.82Å
59	V	98.1	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.4	173.6	-174.9	0	0	0	0	107.1	T18 C32 S33 H55 D57 T73 A74	T18-V59 WeakPolarHBondContact CB-O 3.27Å; T18-V59 WeakPolarHBondContact CG2-O 3.37Å; T18-V59 PolarHBondContact OG1-O 3.5Å; C32-V59 HydrophobicContact CB-CB 3.82Å; C32-V59 HydrophobicContact CB-CG1 3.48Å; C32-V59 VanDerWaalsContact CB-CG1 3.48Å; S33-V59 PolarHBondContact O-N 3.37Å; S33-V59 VanDerWaalsContact O-N 3.13Å; H55-V59 HydrophobicContact CB-CG2 3.9Å; D57-V59 PolarHBondContact O-N 3.45Å; V59-T73 HydrophobicContact CG1-CG2 4.22Å; V59-A74 CarbonylContact C-O 3.58Å; V59-A74 WeakPolarHBondContact CG1-O 3.45Å
60	F	97.9	Very high	95.2	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-27.4	-175.9	-68.9	-51.4	0	0	0	113.8	T18 M34 A58 A74 R76 A100 V101 R102	T18-F60 HydrophobicContact CG2-CD1 4.44Å; M34-F60 HydrophobicContact CE-CE1 4.41Å; M34-F60 HydrophobicContact SD-CD1 4.34Å; M34-F60 HydrophobicContact SD-CE1 3.9Å; A58-F60 HydrophobicContact CB-CE1 4.26Å; A58-F60 HydrophobicContact CB-CZ 4.45Å; F60-A74 PolarHBondContact N-O 3.3Å; F60-R76 HydrophobicContact CD2-CB 4.32Å; F60-R76 HydrophobicContact CE2-CB 3.46Å; F60-R76 VanDerWaalsContact CE2-CB 3.46Å; F60-R76 HydrophobicContact CE2-CG 3.85Å; F60-R76 HydrophobicContact CZ-CB 3.81Å; F60-R76 HydrophobicContact CZ-CG 3.99Å; F60-A100 HydrophobicContact CE2-CB 4.15Å; F60-V101 WeakPolarHBondContact CD2-O 3.27Å; F60-R102 WeakPolarHBondContact CB-O 3.26Å
61	C	97.8	Very high	95.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.9	-175.5	-168.6	0	0	0	0	110.8	T73 A74 W103 L104	C61-T73 VanDerWaalsContact O-CA 3.3Å; C61-T73 WeakPolarHBondContact O-CA 3.39Å; C61-A74 HydrophobicContact CB-CB 4.29Å; C61-A74 PolarHBondContact N-O 2.97Å; C61-A74 PolarHBondContact O-N 3.08Å; C61-W103 HydrophobicContact CB-CD2 4.25Å; C61-W103 HydrophobicContact CB-CE3 4.06Å; C61-W103 HydrophobicContact CB-CZ3 4.31Å; C61-W103 VanDerWaalsContact SG-CE2 3.57Å; C61-L104 HydrophobicContact CB-CD2 4.5Å; C61-L104 HydrophobicContact CB-CG 4.43Å
62	V	97.7	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.2	170.2	62.3	0	0	0	0	108.8	C19 D21 A30 C32 L38 I71 L72 T73	C19-V62 HydrophobicContact CB-CG1 4.15Å; D21-V62 HydrophobicContact CB-CG1 4.37Å; A30-V62 HydrophobicContact CB-CG1 4.37Å; A30-V62 HydrophobicContact CB-CG2 3.76Å; C32-V62 HydrophobicContact CB-CB 4.19Å; C32-V62 HydrophobicContact CB-CG1 4.3Å; L38-V62 HydrophobicContact CD1-CB 4.43Å; L38-V62 HydrophobicContact CD1-CG2 3.69Å; V62-I71 HydrophobicContact CG2-CG2 3.52Å; V62-L72 CarbonylContact C-O 3.55Å; V62-L72 VanDerWaalsContact CA-O 3.3Å; V62-L72 WeakPolarHBondContact CA-O 3.22Å; V62-T73 HydrophobicContact CB-CG2 4.33Å; V62-T73 HydrophobicContact CG2-CG2 4.07Å
63	R	97.5	Very high	95.8	Very high	36 Å²	36	37.3 Å²	37.3	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.6	170.1	-69.6	-77.9	142.1	-169.4	-8.1	110.6	D21 I71 L72 L104	D21-R63 IonicContact OD1-CZ 3.99Å; D21-R63 IonicContact OD1-NH1 3.79Å; D21-R63 PolarHBondContact OD1-NH1 2.94Å; D21-R63 VanDerWaalsContact OD2-CA 3.25Å; D21-R63 WeakPolarHBondContact OD2-CA 3.18Å; D21-R63 IonicContact OD2-NH1 2.78Å; R63-I71 CarbonylContact O-C 3.53Å; R63-I71 WeakPolarHBondContact O-CA 3.13Å; R63-L72 PolarHBondContact N-O 3.1Å; R63-L72 PolarHBondContact O-N 3.43Å; R63-L104 HydrophobicContact CB-CD1 3.63Å; R63-L104 HydrophobicContact CG-CD1 3.66Å; R63-L104 HydrophobicContact CG-CG 4.39Å
64	F	96.9	Very high	96.1	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.6	160.5	-76.6	-88	0	0	0	110.1	D21 F22 N23 A30 I40 I71	D21-F64 HydrophobicContact CB-CD2 4.26Å; D21-F64 WeakPolarHBondContact O-CE2 3.48Å; D21-F64 PolarHBondContact OD2-N 3.43Å; F22-F64 VanDerWaalsContact O-CD2 3.25Å; F22-F64 WeakPolarHBondContact O-CD2 3.45Å; N23-F64 HydrophobicContact CB-CD1 3.94Å; N23-F64 HydrophobicContact CB-CD2 4.25Å; N23-F64 HydrophobicContact CB-CE1 3.75Å; N23-F64 HydrophobicContact CB-CE2 4.06Å; N23-F64 HydrophobicContact CB-CG 4.18Å; N23-F64 HydrophobicContact CB-CZ 3.82Å; A30-F64 HydrophobicContact CB-CD2 4.23Å; A30-F64 HydrophobicContact CB-CE2 3.33Å; A30-F64 HydrophobicContact CB-CZ 3.75Å; I40-F64 HydrophobicContact CD1-CZ 4.32Å; F64-I71 HydrophobicContact CD1-CD1 4.38Å; F64-I71 HydrophobicContact CD1-CG1 3.51Å; F64-I71 HydrophobicContact CE1-CD1 3.69Å; F64-I71 HydrophobicContact CE1-CG1 3.31Å; F64-I71 HydrophobicContact CG-CG1 4.3Å; F64-I71 HydrophobicContact CZ-CD1 4.11Å; F64-I71 HydrophobicContact CZ-CG1 3.96Å
65	S	95.8	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.			trans	-63.3	150.7	161.6	60.8	0	0	0	0	110	P24 T67 G68 E69 L70 D110	P24-S65 WeakPolarHBondContact CG-O 3.4Å; S65-T67 PolarHBondContact O-N 3.49Å; S65-T67 VanDerWaalsContact O-N 3.15Å; S65-T67 PolarHBondContact OG-OG1 2.98Å; S65-G68 WeakPolarHBondContact O-CA 3.43Å; S65-G68 PolarHBondContact O-N 3.25Å; S65-G68 PolarHBondContact OG-N 3.4Å; S65-G68 VanDerWaalsContact OG-N 3.13Å; S65-E69 PolarHBondContact OG-N 3Å; S65-L70 PolarHBondContact N-O 2.98Å; S65-L70 PolarHBondContact OG-N 2.63Å; S65-L70 VanDerWaalsContact OG-N 3.1Å; S65-L70 PolarHBondContact OG-O 3.29Å; S65-D110 WeakPolarHBondContact CB-OD1 3.5Å
66	P	94.6	Very high	96.5	Very high	58 Å²	58	35.9 Å²	35.9	38%	0.377	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29	173.8	-26.4	34.7	0	0	0	113.6	P24 V106 S107	P24-P66 WeakPolarHBondContact CG-O 3.47Å; P66-V106 HydrophobicContact CG-CG1 4.39Å; P66-S107 WeakPolarHBondContact CG-O 3.27Å
67	T	93.8	Very high	96.6	Very high	77 Å²	77	28.1 Å²	28.1	47%	0.472	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.9	173.7	56.1	0	0	0	0	113.1	S65 E69 D110	S65-T67 PolarHBondContact O-N 3.49Å; S65-T67 VanDerWaalsContact O-N 3.15Å; S65-T67 PolarHBondContact OG-OG1 2.98Å; T67-E69 VanDerWaalsContact C-N 3.27Å; T67-D110 WeakPolarHBondContact CB-OD2 3.37Å; T67-D110 HydrophobicContact CG2-CB 4.09Å; T67-D110 WeakPolarHBondContact CG2-OD2 3.45Å; T67-D110 PolarHBondContact OG1-OD2 3.44Å
68	G	93.1	Very high	96.6	Very high	21 Å²	21	28.9 Å²	28.9	22%	0.216	15%	0.145	C	C	.	.	S	Bend	trans	79.5	3.6	-175.7	0	0	0	0	0	114.3	S65	S65-G68 WeakPolarHBondContact O-CA 3.43Å; S65-G68 PolarHBondContact O-N 3.25Å; S65-G68 PolarHBondContact OG-N 3.4Å; S65-G68 VanDerWaalsContact OG-N 3.13Å
69	E	92.6	Very high	96.6	Very high	135 Å²	135	29.9 Å²	29.9	63%	0.631	15%	0.151	S	C	*	.	S	Bend	trans	-78	-22.4	-179.9	-63.4	-171.9	169.1	0	0	113.3	S65 T67 P85	S65-E69 PolarHBondContact OG-N 3Å; T67-E69 VanDerWaalsContact C-N 3.27Å; E69-P85 WeakPolarHBondContact O-CD 3.49Å
70	L	94.7	Very high	96.6	Very high	34 Å²	34	29.9 Å²	29.9	18%	0.178	15%	0.151	C	C	.	.			trans	-130	148.4	-178	-64.9	174.6	0	0	0	111.1	S65 L72 W83 I84 L127	S65-L70 PolarHBondContact N-O 2.98Å; S65-L70 PolarHBondContact OG-N 2.63Å; S65-L70 VanDerWaalsContact OG-N 3.1Å; S65-L70 PolarHBondContact OG-O 3.29Å; L70-L72 HydrophobicContact CB-CD1 4.3Å; L70-W83 WeakPolarHBondContact CA-O 3.2Å; L70-I84 HydrophobicContact CD2-CG1 4.3Å; L70-L127 HydrophobicContact CD1-CG 4.47Å
71	I	96.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.4	165.6	-60.2	152.9	0	0	0	107.7	L38 I40 V62 R63 F64 T73 L82 W83 P85	L38-I71 HydrophobicContact CD1-CG2 4.37Å; L38-I71 HydrophobicContact CD2-CG2 3.84Å; I40-I71 HydrophobicContact CD1-CD1 3.47Å; I40-I71 VanDerWaalsContact CD1-CD1 3.47Å; I40-I71 HydrophobicContact CG1-CD1 4.06Å; V62-I71 HydrophobicContact CG2-CG2 3.52Å; R63-I71 CarbonylContact O-C 3.53Å; R63-I71 WeakPolarHBondContact O-CA 3.13Å; F64-I71 HydrophobicContact CD1-CD1 4.38Å; F64-I71 HydrophobicContact CD1-CG1 3.51Å; F64-I71 HydrophobicContact CE1-CD1 3.69Å; F64-I71 HydrophobicContact CE1-CG1 3.31Å; F64-I71 HydrophobicContact CG-CG1 4.3Å; F64-I71 HydrophobicContact CZ-CD1 4.11Å; F64-I71 HydrophobicContact CZ-CG1 3.96Å; I71-T73 HydrophobicContact CG2-CG2 4.44Å; I71-L82 CarbonylContact O-C 3.49Å; I71-W83 HydrophobicContact CB-CB 4.19Å; I71-W83 PolarHBondContact N-O 2.78Å; I71-W83 PolarHBondContact O-N 3.43Å; I71-P85 HydrophobicContact CD1-CB 3.71Å; I71-P85 HydrophobicContact CG1-CB 4.38Å
72	L	97.5	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136	178.1	-66.9	81.6	0	0	0	109.1	V62 R63 L70 K81 L82 L104 V106 M113 L127	V62-L72 CarbonylContact C-O 3.55Å; V62-L72 VanDerWaalsContact CA-O 3.3Å; V62-L72 WeakPolarHBondContact CA-O 3.22Å; R63-L72 PolarHBondContact N-O 3.1Å; R63-L72 PolarHBondContact O-N 3.43Å; L70-L72 HydrophobicContact CB-CD1 4.3Å; L72-K81 CarbonylContact C-O 3.54Å; L72-K81 WeakPolarHBondContact CA-O 3.21Å; L72-L82 HydrophobicContact CB-CD2 4.44Å; L72-L82 HydrophobicContact CD1-CD2 4.43Å; L72-L82 HydrophobicContact CD2-CD2 3.69Å; L72-L82 HydrophobicContact CG-CD2 3.51Å; L72-L104 HydrophobicContact CB-CD1 3.5Å; L72-L104 VanDerWaalsContact CB-CD1 3.5Å; L72-L104 HydrophobicContact CB-CD2 3.98Å; L72-L104 HydrophobicContact CB-CG 4.44Å; L72-L104 HydrophobicContact CD2-CD1 4.1Å; L72-L104 HydrophobicContact CG-CD1 4.42Å; L72-V106 HydrophobicContact CD1-CG2 3.74Å; L72-V106 HydrophobicContact CD2-CG2 3.71Å; L72-V106 HydrophobicContact CG-CG2 4.28Å; L72-M113 HydrophobicContact CD2-CB 4.17Å; L72-M113 HydrophobicContact CD2-SD 3.77Å; L72-L127 HydrophobicContact CD2-CD1 3.74Å; L72-L127 HydrophobicContact CG-CD1 4.39Å
73	T	98	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.6	173.8	57.8	0	0	0	0	111.9	L38 H55 V59 C61 V62 I71 V80 K81 W83 L104	L38-T73 HydrophobicContact CB-CG2 4.4Å; L38-T73 HydrophobicContact CD1-CG2 4.17Å; L38-T73 HydrophobicContact CD2-CG2 3.81Å; L38-T73 HydrophobicContact CG-CG2 4.36Å; H55-T73 PolarHBondContact CD2-OG1 3.11Å; H55-T73 PolarHBondContact NE2-OG1 3.16Å; V59-T73 HydrophobicContact CG1-CG2 4.22Å; C61-T73 VanDerWaalsContact O-CA 3.3Å; C61-T73 WeakPolarHBondContact O-CA 3.39Å; V62-T73 HydrophobicContact CB-CG2 4.33Å; V62-T73 HydrophobicContact CG2-CG2 4.07Å; I71-T73 HydrophobicContact CG2-CG2 4.44Å; T73-V80 CarbonylContact O-C 3.59Å; T73-V80 VanDerWaalsContact O-CA 3.22Å; T73-V80 WeakPolarHBondContact O-CA 3.38Å; T73-V80 WeakPolarHBondContact O-CG1 3.49Å; T73-K81 PolarHBondContact N-O 3.01Å; T73-K81 PolarHBondContact O-N 3.3Å; T73-W83 PolarHBondContact OG1-NE1 3.49Å; T73-L104 VanDerWaalsContact C-CD2 3.41Å
74	A	97.8	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.2	175.1	0	0	0	0	0	109.9	V59 F60 C61 V80 V101 L104	V59-A74 CarbonylContact C-O 3.58Å; V59-A74 WeakPolarHBondContact CG1-O 3.45Å; F60-A74 PolarHBondContact N-O 3.3Å; C61-A74 HydrophobicContact CB-CB 4.29Å; C61-A74 PolarHBondContact N-O 2.97Å; C61-A74 PolarHBondContact O-N 3.08Å; A74-V80 HydrophobicContact CB-CG2 4.36Å; A74-V101 HydrophobicContact CB-CB 3.81Å; A74-V101 HydrophobicContact CB-CG1 3.5Å; A74-L104 HydrophobicContact CB-CB 4.35Å; A74-L104 HydrophobicContact CB-CD2 3.58Å; A74-L104 HydrophobicContact CB-CG 4.4Å; A74-L104 VanDerWaalsContact N-CD2 3.29Å
75	S	98.2	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.1	-174.1	171.8	0	0	0	0	113.3	H55 D57 A58 D77 K78 T79 V101	H55-S75 VanDerWaalsContact CE1-CB 3.42Å; H55-S75 WeakPolarHBondContact CE1-CB 3.36Å; H55-S75 WeakPolarHBondContact ND1-CB 3.43Å; D57-S75 PolarHBondContact O-OG 2.77Å; A58-S75 VanDerWaalsContact O-CA 3.32Å; A58-S75 WeakPolarHBondContact O-CA 3.32Å; A58-S75 WeakPolarHBondContact O-CB 3.29Å; A58-S75 PolarHBondContact O-OG 2.96Å; S75-D77 VanDerWaalsContact CB-OD1 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.31Å; S75-D77 PolarHBondContact O-N 3.44Å; S75-D77 PolarHBondContact OG-N 3.37Å; S75-D77 VanDerWaalsContact OG-N 3.1Å; S75-D77 PolarHBondContact OG-OD1 3.23Å; S75-K78 PolarHBondContact O-N 3.48Å; S75-T79 PolarHBondContact N-O 3.37Å; S75-V101 PolarHBondContact O-N 3.38Å
76	R	97.9	Very high	95.2	Very high	104 Å²	104	35.8 Å²	35.8	39%	0.392	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.4	167.7	-163.3	175.9	-154.9	178	4.5	113	D57 A58 F60 K78 A100	D57-R76 HydrophobicContact CB-CB 4Å; D57-R76 WeakPolarHBondContact OD2-CD 3.28Å; A58-R76 HydrophobicContact CB-CB 4.36Å; A58-R76 PolarHBondContact O-N 2.82Å; F60-R76 HydrophobicContact CD2-CB 4.32Å; F60-R76 HydrophobicContact CE2-CB 3.46Å; F60-R76 VanDerWaalsContact CE2-CB 3.46Å; F60-R76 HydrophobicContact CE2-CG 3.85Å; F60-R76 HydrophobicContact CZ-CB 3.81Å; F60-R76 HydrophobicContact CZ-CG 3.99Å; R76-K78 PolarHBondContact O-N 2.85Å; R76-A100 HydrophobicContact CB-CB 4.46Å; R76-A100 HydrophobicContact CG-CB 4.03Å
77	D	97.2	Very high	94.7	Very high	31 Å²	31	39.3 Å²	39.3	17%	0.166	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	4.9	176.4	72.8	11.9	0	0	0	114.3	H55 K56 D57 S75 T79	H55-D77 WeakPolarHBondContact CA-OD2 3.5Å; H55-D77 IonicContact CE1-OD1 3.82Å; H55-D77 IonicContact CE1-OD2 2.95Å; H55-D77 IonicContact CG-OD2 2.99Å; H55-D77 IonicContact ND1-OD1 3.02Å; H55-D77 PolarHBondContact ND1-OD1 3.41Å; H55-D77 IonicContact ND1-OD2 2.78Å; H55-D77 PolarHBondContact ND1-OD2 2.63Å; K56-D77 HydrophobicContact CB-CB 4.12Å; K56-D77 PolarHBondContact N-OD2 3.49Å; D57-D77 HydrophobicContact CB-CB 4Å; S75-D77 VanDerWaalsContact CB-OD1 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.31Å; S75-D77 PolarHBondContact O-N 3.44Å; S75-D77 PolarHBondContact OG-N 3.37Å; S75-D77 VanDerWaalsContact OG-N 3.1Å; S75-D77 PolarHBondContact OG-OD1 3.23Å; D77-T79 VanDerWaalsContact CG-OG1 3.24Å; D77-T79 PolarHBondContact O-N 3.42Å; D77-T79 WeakPolarHBondContact OD1-CA 3.43Å; D77-T79 VanDerWaalsContact OD1-CB 3.28Å; D77-T79 WeakPolarHBondContact OD1-CB 3.44Å; D77-T79 PolarHBondContact OD1-N 3.37Å; D77-T79 PolarHBondContact OD1-OG1 3.05Å; D77-T79 PolarHBondContact OD2-OG1 2.95Å
78	K	97.5	Very high	94.3	Very high	82 Å²	82	43.7 Å²	43.7	36%	0.357	22%	0.217	S	C	.	.	S	Bend	trans	75	7.6	176.9	-41	170.1	176.8	-166.8	0	113.5	S75 R76 A96 H97 T98 A99	S75-K78 PolarHBondContact O-N 3.48Å; R76-K78 PolarHBondContact O-N 2.85Å; K78-A96 PolarHBondContact O-N 3.13Å; K78-H97 PolarHBondContact O-N 3.23Å; K78-T98 VanDerWaalsContact CD-O 3.32Å; K78-T98 WeakPolarHBondContact CD-O 3.2Å; K78-T98 WeakPolarHBondContact CE-O 3.46Å; K78-T98 PolarHBondContact NZ-O 2.84Å; K78-T98 VanDerWaalsContact NZ-O 3.16Å; K78-A99 WeakPolarHBondContact CA-O 3.46Å; K78-A99 WeakPolarHBondContact CB-O 3.3Å; K78-A99 WeakPolarHBondContact CG-O 3.47Å
79	T	97.6	Very high	93.9	Very high	22 Å²	22	43.1 Å²	43.1	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	157.5	-178.8	75.3	0	0	0	0	111.9	H55 S75 D77 T93 F94	H55-T79 PolarHBondContact CE1-OG1 3.43Å; H55-T79 VanDerWaalsContact CE1-OG1 3.32Å; H55-T79 PolarHBondContact ND1-OG1 3.05Å; S75-T79 PolarHBondContact N-O 3.37Å; D77-T79 VanDerWaalsContact CG-OG1 3.24Å; D77-T79 PolarHBondContact O-N 3.42Å; D77-T79 WeakPolarHBondContact OD1-CA 3.43Å; D77-T79 VanDerWaalsContact OD1-CB 3.28Å; D77-T79 WeakPolarHBondContact OD1-CB 3.44Å; D77-T79 PolarHBondContact OD1-N 3.37Å; D77-T79 PolarHBondContact OD1-OG1 3.05Å; D77-T79 PolarHBondContact OD2-OG1 2.95Å; T79-T93 HydrophobicContact CG2-CG2 4.1Å; T79-F94 WeakPolarHBondContact CA-O 3.1Å; T79-F94 WeakPolarHBondContact CB-O 3.39Å
80	V	97.2	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	163.9	172.6	0	0	0	0	107.2	T73 A74 F94 A96 V101 T115	T73-V80 CarbonylContact O-C 3.59Å; T73-V80 VanDerWaalsContact O-CA 3.22Å; T73-V80 WeakPolarHBondContact O-CA 3.38Å; T73-V80 WeakPolarHBondContact O-CG1 3.49Å; A74-V80 HydrophobicContact CB-CG2 4.36Å; V80-F94 HydrophobicContact CB-CE1 3.82Å; V80-F94 HydrophobicContact CB-CE2 4.05Å; V80-F94 HydrophobicContact CB-CZ 3.49Å; V80-F94 VanDerWaalsContact CB-CZ 3.49Å; V80-F94 HydrophobicContact CG1-CE1 3.75Å; V80-F94 HydrophobicContact CG1-CZ 3.59Å; V80-F94 HydrophobicContact CG2-CZ 4.35Å; V80-F94 PolarHBondContact N-O 2.81Å; V80-F94 PolarHBondContact O-N 3.48Å; V80-A96 HydrophobicContact CB-CB 4.41Å; V80-A96 HydrophobicContact CG2-CB 3.83Å; V80-V101 HydrophobicContact CG2-CB 4.48Å; V80-V101 HydrophobicContact CG2-CG1 3.99Å; V80-V101 HydrophobicContact CG2-CG2 4.32Å; V80-T115 HydrophobicContact CG2-CG2 3.97Å
81	K	96.5	Very high	93.7	Very high	17 Å²	17	42 Å²	42	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.6	173.9	-71.8	177.9	-175.4	-97.7	0	110.6	G54 L72 T73 W83 I92 T93	G54-K81 WeakPolarHBondContact O-CE 3.32Å; G54-K81 PolarHBondContact O-NZ 2.78Å; L72-K81 CarbonylContact C-O 3.54Å; L72-K81 WeakPolarHBondContact CA-O 3.21Å; T73-K81 PolarHBondContact N-O 3.01Å; T73-K81 PolarHBondContact O-N 3.3Å; K81-W83 HydrophobicContact CB-CZ2 4.13Å; K81-W83 HydrophobicContact CD-CH2 4.06Å; K81-W83 HydrophobicContact CD-CZ2 3.42Å; K81-W83 VanDerWaalsContact CD-CZ2 3.42Å; K81-W83 HydrophobicContact CG-CZ2 4.43Å; K81-I92 CarbonylContact C-O 3.5Å; K81-I92 VanDerWaalsContact CA-O 3.29Å; K81-I92 WeakPolarHBondContact CA-O 3.4Å; K81-T93 HydrophobicContact CD-CG2 4.46Å; K81-T93 WeakPolarHBondContact CE-OG1 3.36Å; K81-T93 HydrophobicContact CG-CG2 3.81Å; K81-T93 WeakPolarHBondContact CG-OG1 3.32Å; K81-T93 PolarHBondContact NZ-OG1 2.86Å
82	L	96.3	Very high	93.6	Very high	7 Å²	7	46 Å²	46	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.8	170.5	-52.7	175.1	0	0	0	106.5	I71 L72 S91 I92 F94 M113 L127 Q130	I71-L82 CarbonylContact O-C 3.49Å; L72-L82 HydrophobicContact CB-CD2 4.44Å; L72-L82 HydrophobicContact CD1-CD2 4.43Å; L72-L82 HydrophobicContact CD2-CD2 3.69Å; L72-L82 HydrophobicContact CG-CD2 3.51Å; L82-S91 CarbonylContact O-C 3.57Å; L82-S91 WeakPolarHBondContact O-CA 3.39Å; L82-S91 WeakPolarHBondContact O-CB 3.23Å; L82-I92 PolarHBondContact N-O 2.94Å; L82-I92 PolarHBondContact O-N 2.89Å; L82-F94 HydrophobicContact CD1-CE1 4.35Å; L82-F94 HydrophobicContact CD2-CE1 4.42Å; L82-F94 HydrophobicContact CG-CE1 4.16Å; L82-M113 HydrophobicContact CD2-SD 4.42Å; L82-L127 HydrophobicContact CD1-CD1 4.31Å; L82-L127 HydrophobicContact CD2-CD1 3.67Å; L82-Q130 HydrophobicContact CD1-CG 4.01Å
83	W	95.4	Very high	93.5	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.3	-178.9	-52.2	81.1	0	0	0	109.7	L38 F52 L70 I71 T73 K81 G89 E90 S91	L38-W83 HydrophobicContact CD2-CB 4.49Å; L38-W83 HydrophobicContact CD2-CD2 4.05Å; L38-W83 HydrophobicContact CD2-CG 3.87Å; F52-W83 HydrophobicContact CB-CE3 3.86Å; F52-W83 HydrophobicContact CB-CH2 4.04Å; F52-W83 HydrophobicContact CB-CZ3 3.62Å; F52-W83 HydrophobicContact CD2-CE3 4.26Å; F52-W83 HydrophobicContact CG-CE3 4.15Å; F52-W83 HydrophobicContact CG-CZ3 4.31Å; L70-W83 WeakPolarHBondContact CA-O 3.2Å; I71-W83 HydrophobicContact CB-CB 4.19Å; I71-W83 PolarHBondContact N-O 2.78Å; I71-W83 PolarHBondContact O-N 3.43Å; T73-W83 PolarHBondContact OG1-NE1 3.49Å; K81-W83 HydrophobicContact CB-CZ2 4.13Å; K81-W83 HydrophobicContact CD-CH2 4.06Å; K81-W83 HydrophobicContact CD-CZ2 3.42Å; K81-W83 VanDerWaalsContact CD-CZ2 3.42Å; K81-W83 HydrophobicContact CG-CZ2 4.43Å; W83-G89 WeakPolarHBondContact CZ3-O 3.3Å; W83-E90 WeakPolarHBondContact CA-O 3.24Å; W83-S91 WeakPolarHBondContact CZ3-OG 3.16Å
84	I	92.5	Very high	93.2	Very high	79 Å²	79	50.8 Å²	50.8	41%	0.405	26%	0.258	S	S	.	.			trans	-85	125.9	165.8	-59.7	173	0	0	0	106.7	L70 S86 E90	L70-I84 HydrophobicContact CD2-CG1 4.3Å; I84-S86 PolarHBondContact O-N 2.88Å; I84-E90 HydrophobicContact CD1-CB 4.46Å; I84-E90 PolarHBondContact N-O 2.93Å
85	P	87.3	Confident	93.1	Very high	42 Å²	42	59 Å²	59	27%	0.273	29%	0.288	S	S	.	.	S	Bend	trans	-71.9	59.4	-179	31.5	-35.4	0	0	0	111.6	E69 I71	E69-P85 WeakPolarHBondContact O-CD 3.49Å; I71-P85 HydrophobicContact CD1-CB 3.71Å; I71-P85 HydrophobicContact CG1-CB 4.38Å
86	S	85.8	Confident	92.8	Very high	38 Å²	38	59 Å²	59	27%	0.266	29%	0.289	S	S	.	.	S	Bend	trans	-117.5	162	179.7	71.6	0	0	0	0	110.2	F52 I84 K88 G89	F52-S86 WeakPolarHBondContact CE1-O 3.46Å; F52-S86 WeakPolarHBondContact CZ-O 3.33Å; I84-S86 PolarHBondContact O-N 2.88Å; S86-K88 PolarHBondContact O-N 3.42Å; S86-K88 VanDerWaalsContact O-N 3.1Å; S86-G89 PolarHBondContact O-N 2.83Å
87	I	84.4	Confident	92.7	Very high	131 Å²	131	54.2 Å²	54.2	67%	0.672	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.3	178.5	-59.3	171.3	0	0	0	111.7	Y50 G89	Y50-I87 HydrophobicContact CE1-CB 4.37Å; Y50-I87 HydrophobicContact CE1-CG1 3.8Å; Y50-I87 HydrophobicContact CE1-CG2 4.3Å; I87-G89 VanDerWaalsContact C-N 3.35Å
88	K	85.8	Confident	92.7	Very high	169 Å²	169	57 Å²	57	74%	0.735	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.7	-179.5	-66.2	-176.3	179.1	179.1	0	113.4	S86 E90	S86-K88 PolarHBondContact O-N 3.42Å; S86-K88 VanDerWaalsContact O-N 3.1Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 HydrophobicContact CB-CG 4.05Å; K88-E90 VanDerWaalsContact CD-OE1 3.27Å; K88-E90 WeakPolarHBondContact CD-OE1 3.34Å; K88-E90 IonicContact NZ-OE1 3.89Å; K88-E90 PolarHBondContact O-N 3.41Å
89	G	85	Confident	92.7	Very high	10 Å²	10	54.3 Å²	54.3	10%	0.103	28%	0.282	C	S	.	.			trans	61.6	37	-177.5	0	0	0	0	0	113.5	W83 S86 I87 S91	W83-G89 WeakPolarHBondContact CZ3-O 3.3Å; S86-G89 PolarHBondContact O-N 2.83Å; I87-G89 VanDerWaalsContact C-N 3.35Å; G89-S91 PolarHBondContact O-N 3.4Å
90	E	90.8	Very high	92.7	Very high	99 Å²	99	54 Å²	54	46%	0.463	28%	0.282	S	S	.	.			trans	-59.4	132.4	176.3	-69.1	176.6	-171.7	0	0	109.7	W83 I84 K88	W83-E90 WeakPolarHBondContact CA-O 3.24Å; I84-E90 HydrophobicContact CD1-CB 4.46Å; I84-E90 PolarHBondContact N-O 2.93Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 HydrophobicContact CB-CG 4.05Å; K88-E90 VanDerWaalsContact CD-OE1 3.27Å; K88-E90 WeakPolarHBondContact CD-OE1 3.34Å; K88-E90 IonicContact NZ-OE1 3.89Å; K88-E90 PolarHBondContact O-N 3.41Å
91	S	93.3	Very high	92.8	Very high	46 Å²	46	54 Å²	54	32%	0.322	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.9	179.7	59.5	0	0	0	0	113.9	L82 W83 G89	L82-S91 CarbonylContact O-C 3.57Å; L82-S91 WeakPolarHBondContact O-CA 3.39Å; L82-S91 WeakPolarHBondContact O-CB 3.23Å; W83-S91 WeakPolarHBondContact CZ3-OG 3.16Å; G89-S91 PolarHBondContact O-N 3.4Å
92	I	94	Very high	92.9	Very high	85 Å²	85	56 Å²	56	44%	0.436	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.2	170.8	-59.1	174.2	0	0	0	107.1	K81 L82 Q130	K81-I92 CarbonylContact C-O 3.5Å; K81-I92 VanDerWaalsContact CA-O 3.29Å; K81-I92 WeakPolarHBondContact CA-O 3.4Å; L82-I92 PolarHBondContact N-O 2.94Å; L82-I92 PolarHBondContact O-N 2.89Å; I92-Q130 VanDerWaalsContact CD1-NE2 3.29Å
93	T	94.4	Very high	92.9	Very high	67 Å²	67	56 Å²	56	41%	0.411	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	-178.4	-49.4	0	0	0	0	109.4	T79 K81	T79-T93 HydrophobicContact CG2-CG2 4.1Å; K81-T93 HydrophobicContact CD-CG2 4.46Å; K81-T93 WeakPolarHBondContact CE-OG1 3.36Å; K81-T93 HydrophobicContact CG-CG2 3.81Å; K81-T93 WeakPolarHBondContact CG-OG1 3.32Å; K81-T93 PolarHBondContact NZ-OG1 2.86Å
94	F	92.8	Very high	93	Very high	33 Å²	33	55.8 Å²	55.8	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.3	169.9	66.9	-83.5	0	0	0	111.1	T79 V80 L82 A96 M113 W125	T79-F94 WeakPolarHBondContact CA-O 3.1Å; T79-F94 WeakPolarHBondContact CB-O 3.39Å; V80-F94 HydrophobicContact CB-CE1 3.82Å; V80-F94 HydrophobicContact CB-CE2 4.05Å; V80-F94 HydrophobicContact CB-CZ 3.49Å; V80-F94 VanDerWaalsContact CB-CZ 3.49Å; V80-F94 HydrophobicContact CG1-CE1 3.75Å; V80-F94 HydrophobicContact CG1-CZ 3.59Å; V80-F94 HydrophobicContact CG2-CZ 4.35Å; V80-F94 PolarHBondContact N-O 2.81Å; V80-F94 PolarHBondContact O-N 3.48Å; L82-F94 HydrophobicContact CD1-CE1 4.35Å; L82-F94 HydrophobicContact CD2-CE1 4.42Å; L82-F94 HydrophobicContact CG-CE1 4.16Å; F94-A96 HydrophobicContact CD2-CB 4.24Å; F94-A96 HydrophobicContact CE2-CB 3.79Å; F94-A96 PolarHBondContact O-N 3.04Å; F94-M113 HydrophobicContact CE1-CE 3.76Å; F94-M113 HydrophobicContact CE2-CE 3.9Å; F94-M113 HydrophobicContact CZ-CE 3.14Å; F94-M113 HydrophobicContact CZ-SD 3.96Å; F94-W125 HydrophobicContact CD2-CZ3 4.41Å; F94-W125 HydrophobicContact CE2-CD2 4.2Å; F94-W125 HydrophobicContact CE2-CE3 4.13Å; F94-W125 HydrophobicContact CE2-CZ3 4.3Å
95	R	94.1	Very high	93.3	Very high	171 Å²	171	52.9 Å²	52.9	65%	0.645	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	97.9	178.1	-175.8	174.7	180	170.7	-3.3	109.4
96	A	92.5	Very high	93.8	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	26%	0.264	C	S	.	.			trans	-74.7	-40	-177.6	0	0	0	0	0	112.6	K78 V80 F94 V101 K123 W125	K78-A96 PolarHBondContact O-N 3.13Å; V80-A96 HydrophobicContact CB-CB 4.41Å; V80-A96 HydrophobicContact CG2-CB 3.83Å; F94-A96 HydrophobicContact CD2-CB 4.24Å; F94-A96 HydrophobicContact CE2-CB 3.79Å; F94-A96 PolarHBondContact O-N 3.04Å; A96-V101 HydrophobicContact CB-CG2 4.32Å; A96-K123 WeakPolarHBondContact O-CD 3.43Å; A96-K123 PolarHBondContact O-NZ 3.06Å; A96-W125 HydrophobicContact CB-CH2 4.15Å; A96-W125 HydrophobicContact CB-CZ2 3.64Å; A96-W125 VanDerWaalsContact O-CH2 3.27Å; A96-W125 WeakPolarHBondContact O-CH2 3.3Å; A96-W125 VanDerWaalsContact O-CZ2 3.22Å; A96-W125 WeakPolarHBondContact O-CZ2 3.5Å
97	H	96.9	Very high	94.3	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	25%	0.251	C	S	.	.			trans	-134.5	169	-167.4	-76.5	-88	0	0	0	113.5	K78 A99 V101 T115 S117 D119 S121	K78-H97 PolarHBondContact O-N 3.23Å; H97-A99 WeakPolarHBondContact CB-O 3.29Å; H97-V101 HydrophobicContact CB-CG2 4.01Å; H97-T115 PolarHBondContact CD2-OG1 2.95Å; H97-T115 WeakPolarHBondContact NE2-CB 3.33Å; H97-T115 PolarHBondContact NE2-O 3.25Å; H97-T115 PolarHBondContact NE2-OG1 3.32Å; H97-S117 WeakPolarHBondContact CB-OG 3.18Å; H97-S117 VanDerWaalsContact CE1-CB 3.43Å; H97-S117 WeakPolarHBondContact CE1-CB 3.26Å; H97-S117 WeakPolarHBondContact ND1-CB 3.03Å; H97-S117 PolarHBondContact ND1-OG 2.89Å; H97-D119 WeakPolarHBondContact CB-OD2 3.23Å; H97-D119 IonicContact CE1-OD1 3.7Å; H97-D119 IonicContact CE1-OD2 3.19Å; H97-D119 IonicContact CG-OD2 3.57Å; H97-D119 VanDerWaalsContact ND1-CG 3.33Å; H97-D119 IonicContact ND1-OD1 2.89Å; H97-D119 PolarHBondContact ND1-OD1 2.82Å; H97-D119 VanDerWaalsContact ND1-OD1 3.13Å; H97-D119 IonicContact ND1-OD2 2.74Å; H97-D119 PolarHBondContact ND1-OD2 3.42Å; H97-S121 PolarHBondContact CE1-OG 2.87Å; H97-S121 VanDerWaalsContact CE1-OG 3.24Å; H97-S121 PolarHBondContact ND1-OG 2.86Å
98	T	96.9	Very high	94.8	Very high	90 Å²	90	46.4 Å²	46.4	55%	0.552	24%	0.244	S	C	*	.	S	Bend	trans	-88.7	-15.7	176	58.8	0	0	0	0	112.6	K78 D119	K78-T98 VanDerWaalsContact CD-O 3.32Å; K78-T98 WeakPolarHBondContact CD-O 3.2Å; K78-T98 WeakPolarHBondContact CE-O 3.46Å; K78-T98 PolarHBondContact NZ-O 2.84Å; K78-T98 VanDerWaalsContact NZ-O 3.16Å; T98-D119 PolarHBondContact N-OD2 2.96Å; T98-D119 VanDerWaalsContact N-OD2 3.15Å; T98-D119 VanDerWaalsContact OG1-CB 3.23Å; T98-D119 WeakPolarHBondContact OG1-CB 3.43Å; T98-D119 PolarHBondContact OG1-OD2 2.88Å
99	A	97.8	Very high	95.2	Very high	24 Å²	24	43.1 Å²	43.1	20%	0.198	23%	0.234	C	C	.	.	S	Bend	trans	-130.6	-175.3	174.2	0	0	0	0	0	111.5	K78 H97 V101 A118 D119	K78-A99 WeakPolarHBondContact CA-O 3.46Å; K78-A99 WeakPolarHBondContact CB-O 3.3Å; K78-A99 WeakPolarHBondContact CG-O 3.47Å; H97-A99 WeakPolarHBondContact CB-O 3.29Å; A99-V101 PolarHBondContact O-N 3.06Å; A99-A118 HydrophobicContact CB-CB 3.97Å; A99-D119 HydrophobicContact CB-CB 3.89Å
100	A	97.8	Very high	95.6	Very high	16 Å²	16	43 Å²	43	13%	0.132	23%	0.231	C	C	.	.			trans	-58.2	130.3	-175.6	0	0	0	0	0	112.4	F60 R76 R102 S117 A118	F60-A100 HydrophobicContact CE2-CB 4.15Å; R76-A100 HydrophobicContact CB-CB 4.46Å; R76-A100 HydrophobicContact CG-CB 4.03Å; A100-R102 PolarHBondContact O-N 2.52Å; A100-S117 VanDerWaalsContact O-CA 3.32Å; A100-S117 WeakPolarHBondContact O-CA 3.12Å; A100-S117 PolarHBondContact O-OG 3.44Å; A100-A118 HydrophobicContact CB-CB 4.31Å; A100-A118 PolarHBondContact O-N 2.93Å
101	V	98.2	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.4	175.5	-167.4	0	0	0	0	108.1	F60 A74 S75 V80 A96 H97 A99 A116	F60-V101 WeakPolarHBondContact CD2-O 3.27Å; A74-V101 HydrophobicContact CB-CB 3.81Å; A74-V101 HydrophobicContact CB-CG1 3.5Å; S75-V101 PolarHBondContact O-N 3.38Å; V80-V101 HydrophobicContact CG2-CB 4.48Å; V80-V101 HydrophobicContact CG2-CG1 3.99Å; V80-V101 HydrophobicContact CG2-CG2 4.32Å; A96-V101 HydrophobicContact CB-CG2 4.32Å; H97-V101 HydrophobicContact CB-CG2 4.01Å; A99-V101 PolarHBondContact O-N 3.06Å; V101-A116 CarbonylContact C-O 3.55Å
102	R	97.8	Very high	96	Very high	59 Å²	59	42.1 Å²	42.1	22%	0.223	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-33.1	-170.8	-71.9	-75.3	-68.3	163.6	-1.4	112.7	F60 A100 A116	F60-R102 WeakPolarHBondContact CB-O 3.26Å; A100-R102 PolarHBondContact O-N 2.52Å; R102-A116 PolarHBondContact N-O 2.92Å
103	W	98.2	Very high	96.1	Very high	6 Å²	6	38.1 Å²	38.1	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.8	-177.4	-151.8	-93.3	0	0	0	111	C19 C61 A116 C145 H187 K229	C19-W103 HydrophobicContact CB-CH2 4.42Å; C19-W103 VanDerWaalsContact SG-CH2 3.58Å; C61-W103 HydrophobicContact CB-CD2 4.25Å; C61-W103 HydrophobicContact CB-CE3 4.06Å; C61-W103 HydrophobicContact CB-CZ3 4.31Å; C61-W103 VanDerWaalsContact SG-CE2 3.57Å; W103-A116 HydrophobicContact CB-CB 4.12Å; W103-A116 PolarHBondContact N-O 3.09Å; W103-A116 PolarHBondContact O-N 2.91Å; W103-C145 HydrophobicContact CG-CB 4.34Å; W103-H187 AromaticContact CE2-CD2 3.81Å; W103-H187 AromaticContact CE2-NE2 3.53Å; W103-H187 AromaticContact CH2-CD2 3.66Å; W103-H187 AromaticContact CH2-NE2 3.51Å; W103-H187 AromaticContact CZ2-CD2 3.55Å; W103-H187 AromaticContact CZ2-NE2 3.05Å; W103-H187 WeakPolarHBondContact CZ2-NE2 3.36Å; W103-K229 HydrophobicContact CH2-CD 3.84Å; W103-K229 HydrophobicContact CZ3-CD 4.39Å
104	L	97.5	Very high	96.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.7	172.3	73.5	92.5	0	0	0	109.8	C61 R63 L72 T73 A74 C114 T115	C61-L104 HydrophobicContact CB-CD2 4.5Å; C61-L104 HydrophobicContact CB-CG 4.43Å; R63-L104 HydrophobicContact CB-CD1 3.63Å; R63-L104 HydrophobicContact CG-CD1 3.66Å; R63-L104 HydrophobicContact CG-CG 4.39Å; L72-L104 HydrophobicContact CB-CD1 3.5Å; L72-L104 VanDerWaalsContact CB-CD1 3.5Å; L72-L104 HydrophobicContact CB-CD2 3.98Å; L72-L104 HydrophobicContact CB-CG 4.44Å; L72-L104 HydrophobicContact CD2-CD1 4.1Å; L72-L104 HydrophobicContact CG-CD1 4.42Å; T73-L104 VanDerWaalsContact C-CD2 3.41Å; A74-L104 HydrophobicContact CB-CB 4.35Å; A74-L104 HydrophobicContact CB-CD2 3.58Å; A74-L104 HydrophobicContact CB-CG 4.4Å; A74-L104 VanDerWaalsContact N-CD2 3.29Å; L104-C114 CarbonylContact C-O 3.5Å; L104-C114 VanDerWaalsContact CA-O 3.23Å; L104-C114 WeakPolarHBondContact CA-O 3.46Å; L104-T115 HydrophobicContact CB-CG2 4.32Å
105	D	97.8	Very high	96.6	Very high	18 Å²	18	33.3 Å²	33.3	10%	0.096	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	172.9	-147.7	37.9	0	0	0	110.7	M113 C114 R147 F148	D105-M113 CarbonylContact O-C 3.53Å; D105-M113 VanDerWaalsContact O-CA 3.25Å; D105-M113 WeakPolarHBondContact O-CA 3.31Å; D105-C114 VanDerWaalsContact CB-SG 3.57Å; D105-C114 PolarHBondContact N-O 2.92Å; D105-C114 PolarHBondContact O-N 3.07Å; D105-R147 IonicContact OD1-CZ 3.55Å; D105-R147 IonicContact OD1-NH1 3.54Å; D105-R147 PolarHBondContact OD1-NH1 2.86Å; D105-R147 VanDerWaalsContact OD2-CA 3.26Å; D105-R147 WeakPolarHBondContact OD2-CA 3.22Å; D105-R147 VanDerWaalsContact OD2-CD 3.31Å; D105-R147 WeakPolarHBondContact OD2-CD 3.41Å; D105-F148 HydrophobicContact CB-CD2 4.2Å; D105-F148 PolarHBondContact OD2-N 2.94Å
106	V	97.4	Very high	96.7	Very high	13 Å²	13	25.2 Å²	25.2	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.3	-178.9	-174.2	0	0	0	0	108.8	P66 L72 D110 L127	P66-V106 HydrophobicContact CG-CG1 4.39Å; L72-V106 HydrophobicContact CD1-CG2 3.74Å; L72-V106 HydrophobicContact CD2-CG2 3.71Å; L72-V106 HydrophobicContact CG-CG2 4.28Å; V106-D110 WeakPolarHBondContact CG1-OD1 3.25Å; V106-L127 HydrophobicContact CG1-CD2 3.82Å
107	S	96.9	Very high	97	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	14%	0.143	C	C	.	.			trans	-68.3	152.3	175.3	57.2	0	0	0	0	110.9	P66 D109 D110 S111 R112 S152	P66-S107 WeakPolarHBondContact CG-O 3.27Å; S107-D109 WeakPolarHBondContact CB-OD1 3.3Å; S107-D109 PolarHBondContact O-N 2.99Å; S107-D109 PolarHBondContact OG-OD1 2.95Å; S107-D110 PolarHBondContact O-N 3.17Å; S107-S111 PolarHBondContact OG-N 3.06Å; S107-R112 PolarHBondContact N-O 3.27Å; S107-R112 PolarHBondContact OG-N 3.04Å; S107-R112 PolarHBondContact OG-O 2.92Å; S107-R112 VanDerWaalsContact OG-O 3.06Å; S107-S152 WeakPolarHBondContact CB-OG 3.15Å
108	A	94.7	Very high	97.1	Very high	62 Å²	62	25.8 Å²	25.8	51%	0.512	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.6	-176.9	0	0	0	0	0	113.6	D110 P150 S152	A108-D110 VanDerWaalsContact C-N 3.31Å; A108-P150 WeakPolarHBondContact CB-O 3.13Å; A108-S152 WeakPolarHBondContact CB-OG 3.19Å; A108-S152 PolarHBondContact N-OG 2.93Å
109	D	93.9	Very high	97.1	Very high	100 Å²	100	23.2 Å²	23.2	54%	0.535	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4	175.6	70.5	-15.3	0	0	0	114	S107 S111	S107-D109 WeakPolarHBondContact CB-OD1 3.3Å; S107-D109 PolarHBondContact O-N 2.99Å; S107-D109 PolarHBondContact OG-OD1 2.95Å; D109-S111 PolarHBondContact O-N 3.19Å; D109-S111 PolarHBondContact OD1-N 2.94Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; D109-S111 VanDerWaalsContact OD2-CB 3.28Å; D109-S111 WeakPolarHBondContact OD2-CB 3.39Å; D109-S111 PolarHBondContact OD2-OG 2.97Å
110	D	94.1	Very high	97.1	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.032	14%	0.143	C	C	.	.	S	Bend	trans	58.2	14.1	-176.8	-148.7	17.1	0	0	0	114.4	S65 T67 V106 S107 A108 L127 H128	S65-D110 WeakPolarHBondContact CB-OD1 3.5Å; T67-D110 WeakPolarHBondContact CB-OD2 3.37Å; T67-D110 HydrophobicContact CG2-CB 4.09Å; T67-D110 WeakPolarHBondContact CG2-OD2 3.45Å; T67-D110 PolarHBondContact OG1-OD2 3.44Å; V106-D110 WeakPolarHBondContact CG1-OD1 3.25Å; S107-D110 PolarHBondContact O-N 3.17Å; A108-D110 VanDerWaalsContact C-N 3.31Å; D110-L127 WeakPolarHBondContact OD1-CD2 3.48Å; D110-H128 PolarHBondContact O-CE1 3.33Å; D110-H128 PolarHBondContact O-ND1 3.05Å
111	S	95.6	Very high	97.1	Very high	37 Å²	37	26.1 Å²	26.1	26%	0.259	14%	0.138	S	C	.	.	S	Bend	trans	-89.3	-29.7	-173.9	80.6	0	0	0	0	113.3	S107 D109 L127	S107-S111 PolarHBondContact OG-N 3.06Å; D109-S111 PolarHBondContact O-N 3.19Å; D109-S111 PolarHBondContact OD1-N 2.94Å; D109-S111 PolarHBondContact OD1-OG 3.01Å; D109-S111 VanDerWaalsContact OD2-CB 3.28Å; D109-S111 WeakPolarHBondContact OD2-CB 3.39Å; D109-S111 PolarHBondContact OD2-OG 2.97Å; S111-L127 PolarHBondContact O-N 3.38Å
112	R	96.7	Very high	97.1	Very high	90 Å²	90	26.1 Å²	26.1	34%	0.34	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.4	-173.2	-63.5	171.7	-167.7	-173.6	1.3	111.3	S107 V124 W125 L133 F148	S107-R112 PolarHBondContact N-O 3.27Å; S107-R112 PolarHBondContact OG-N 3.04Å; S107-R112 PolarHBondContact OG-O 2.92Å; S107-R112 VanDerWaalsContact OG-O 3.06Å; R112-V124 HydrophobicContact CB-CG1 4.48Å; R112-W125 CarbonylContact C-O 3.56Å; R112-W125 WeakPolarHBondContact CA-O 3.34Å; R112-L133 HydrophobicContact CG-CD1 4.18Å; R112-F148 HydrophobicContact CB-CZ 4.17Å
113	M	97.1	Very high	97.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	166.8	62.3	177.5	166.8	0	0	109.9	L72 L82 F94 D105 V124 W125 L127	L72-M113 HydrophobicContact CD2-CB 4.17Å; L72-M113 HydrophobicContact CD2-SD 3.77Å; L82-M113 HydrophobicContact CD2-SD 4.42Å; F94-M113 HydrophobicContact CE1-CE 3.76Å; F94-M113 HydrophobicContact CE2-CE 3.9Å; F94-M113 HydrophobicContact CZ-CE 3.14Å; F94-M113 HydrophobicContact CZ-SD 3.96Å; D105-M113 CarbonylContact O-C 3.53Å; D105-M113 VanDerWaalsContact O-CA 3.25Å; D105-M113 WeakPolarHBondContact O-CA 3.31Å; M113-V124 WeakPolarHBondContact O-CA 3Å; M113-W125 HydrophobicContact CE-CB 3.39Å; M113-W125 HydrophobicContact CE-CD2 4.41Å; M113-W125 HydrophobicContact CE-CG 3.72Å; M113-W125 HydrophobicContact CG-CB 3.7Å; M113-W125 HydrophobicContact CG-CG 4.15Å; M113-W125 PolarHBondContact N-O 2.71Å; M113-W125 PolarHBondContact O-N 2.64Å; M113-W125 HydrophobicContact SD-CB 4.4Å; M113-L127 HydrophobicContact CG-CD1 4.44Å; M113-L127 HydrophobicContact SD-CD1 3.9Å
114	C	97.5	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.4	172.6	72.9	0	0	0	0	109.6	L104 D105 V122 K123 V124 C146 F148 I155	L104-C114 CarbonylContact C-O 3.5Å; L104-C114 VanDerWaalsContact CA-O 3.23Å; L104-C114 WeakPolarHBondContact CA-O 3.46Å; D105-C114 VanDerWaalsContact CB-SG 3.57Å; D105-C114 PolarHBondContact N-O 2.92Å; D105-C114 PolarHBondContact O-N 3.07Å; C114-V122 HydrophobicContact CB-CG1 4.44Å; C114-K123 CarbonylContact C-O 3.52Å; C114-K123 VanDerWaalsContact CA-O 3.3Å; C114-K123 WeakPolarHBondContact CA-O 3.11Å; C114-V124 HydrophobicContact CB-CG2 4.4Å; C114-C146 PolarHBondContact SG-SG 2.95Å; C114-F148 HydrophobicContact CB-CD2 4.39Å; C114-F148 HydrophobicContact CB-CE2 3.64Å; C114-F148 HydrophobicContact CB-CZ 3.74Å; C114-I155 HydrophobicContact CB-CD1 4.02Å
115	T	98.2	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.8	-178.1	57.4	0	0	0	0	110.1	V80 H97 L104 V122 K123 W125	V80-T115 HydrophobicContact CG2-CG2 3.97Å; H97-T115 PolarHBondContact CD2-OG1 2.95Å; H97-T115 WeakPolarHBondContact NE2-CB 3.33Å; H97-T115 PolarHBondContact NE2-O 3.25Å; H97-T115 PolarHBondContact NE2-OG1 3.32Å; L104-T115 HydrophobicContact CB-CG2 4.32Å; T115-V122 CarbonylContact O-C 3.58Å; T115-V122 VanDerWaalsContact O-CA 3.25Å; T115-V122 WeakPolarHBondContact O-CA 3.17Å; T115-K123 PolarHBondContact N-O 2.78Å; T115-K123 PolarHBondContact O-N 2.84Å; T115-K123 PolarHBondContact OG1-O 2.75Å; T115-W125 PolarHBondContact OG1-NE1 3.23Å
116	A	98.2	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.1	176.7	0	0	0	0	0	110.5	V101 R102 W103 V122 V143 C146	V101-A116 CarbonylContact C-O 3.55Å; R102-A116 PolarHBondContact N-O 2.92Å; W103-A116 HydrophobicContact CB-CB 4.12Å; W103-A116 PolarHBondContact N-O 3.09Å; W103-A116 PolarHBondContact O-N 2.91Å; A116-V122 HydrophobicContact CB-CG2 4.44Å; A116-V143 HydrophobicContact CB-CB 4.01Å; A116-V143 HydrophobicContact CB-CG1 3.59Å; A116-C146 HydrophobicContact CB-CB 3.86Å; A116-C146 VanDerWaalsContact CB-SG 3.52Å; A116-C146 PolarHBondContact N-SG 3.48Å; A116-C146 VanDerWaalsContact N-SG 3.35Å
117	S	98.5	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.1	-171.4	172.5	0	0	0	0	114	H97 A100 D119 K120 S121 V143	H97-S117 WeakPolarHBondContact CB-OG 3.18Å; H97-S117 VanDerWaalsContact CE1-CB 3.43Å; H97-S117 WeakPolarHBondContact CE1-CB 3.26Å; H97-S117 WeakPolarHBondContact ND1-CB 3.03Å; H97-S117 PolarHBondContact ND1-OG 2.89Å; A100-S117 VanDerWaalsContact O-CA 3.32Å; A100-S117 WeakPolarHBondContact O-CA 3.12Å; A100-S117 PolarHBondContact O-OG 3.44Å; S117-D119 WeakPolarHBondContact CB-OD1 3.42Å; S117-D119 PolarHBondContact O-N 3.42Å; S117-D119 PolarHBondContact OG-N 3.48Å; S117-D119 VanDerWaalsContact OG-N 3.07Å; S117-D119 PolarHBondContact OG-OD1 2.86Å; S117-D119 VanDerWaalsContact OG-OD1 3.1Å; S117-D119 PolarHBondContact OG-OD2 3.44Å; S117-K120 PolarHBondContact O-N 2.77Å; S117-S121 PolarHBondContact N-O 2.62Å; S117-V143 PolarHBondContact O-N 2.85Å; S117-V143 VanDerWaalsContact O-N 3.08Å
118	A	97.9	Very high	96.6	Very high	18 Å²	18	30.4 Å²	30.4	15%	0.149	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.7	169	0	0	0	0	0	113.3	A99 A100 K120 W142	A99-A118 HydrophobicContact CB-CB 3.97Å; A100-A118 HydrophobicContact CB-CB 4.31Å; A100-A118 PolarHBondContact O-N 2.93Å; A118-K120 PolarHBondContact O-N 2.92Å; A118-W142 HydrophobicContact CB-CB 4.39Å; A118-W142 HydrophobicContact CB-CD2 4.24Å; A118-W142 HydrophobicContact CB-CG 3.94Å; A118-W142 PolarHBondContact O-NE1 3.28Å
119	D	97.6	Very high	96.4	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	10.6	169.8	69.1	10	0	0	0	113.1	H97 T98 A99 S117 S121	H97-D119 WeakPolarHBondContact CB-OD2 3.23Å; H97-D119 IonicContact CE1-OD1 3.7Å; H97-D119 IonicContact CE1-OD2 3.19Å; H97-D119 IonicContact CG-OD2 3.57Å; H97-D119 VanDerWaalsContact ND1-CG 3.33Å; H97-D119 IonicContact ND1-OD1 2.89Å; H97-D119 PolarHBondContact ND1-OD1 2.82Å; H97-D119 VanDerWaalsContact ND1-OD1 3.13Å; H97-D119 IonicContact ND1-OD2 2.74Å; H97-D119 PolarHBondContact ND1-OD2 3.42Å; T98-D119 PolarHBondContact N-OD2 2.96Å; T98-D119 VanDerWaalsContact N-OD2 3.15Å; T98-D119 VanDerWaalsContact OG1-CB 3.23Å; T98-D119 WeakPolarHBondContact OG1-CB 3.43Å; T98-D119 PolarHBondContact OG1-OD2 2.88Å; A99-D119 HydrophobicContact CB-CB 3.89Å; S117-D119 WeakPolarHBondContact CB-OD1 3.42Å; S117-D119 PolarHBondContact O-N 3.42Å; S117-D119 PolarHBondContact OG-N 3.48Å; S117-D119 VanDerWaalsContact OG-N 3.07Å; S117-D119 PolarHBondContact OG-OD1 2.86Å; S117-D119 VanDerWaalsContact OG-OD1 3.1Å; S117-D119 PolarHBondContact OG-OD2 3.44Å; D119-S121 PolarHBondContact O-N 2.9Å; D119-S121 WeakPolarHBondContact OD1-CB 3.35Å; D119-S121 PolarHBondContact OD1-N 3.48Å; D119-S121 VanDerWaalsContact OD1-N 3.13Å; D119-S121 PolarHBondContact OD1-OG 2.89Å
120	K	98	Very high	96.2	Very high	95 Å²	95	36.6 Å²	36.6	41%	0.413	17%	0.166	S	C	.	.	S	Bend	trans	72.1	9.5	176	-41.4	174	176.4	-162.7	0	114.1	S117 A118 V140 N141	S117-K120 PolarHBondContact O-N 2.77Å; A118-K120 PolarHBondContact O-N 2.92Å; K120-V140 WeakPolarHBondContact CD-O 3.49Å; K120-V140 WeakPolarHBondContact CE-O 3.31Å; K120-V140 PolarHBondContact NZ-O 3.39Å; K120-N141 WeakPolarHBondContact CA-O 3.45Å; K120-N141 WeakPolarHBondContact CB-O 3.48Å; K120-N141 WeakPolarHBondContact CG-O 3.39Å
121	S	97.8	Very high	96.2	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	19%	0.193	C	C	.	.			trans	-111.1	150.1	179.6	70.3	0	0	0	0	112.6	H97 S117 D119 N137	H97-S121 PolarHBondContact CE1-OG 2.87Å; H97-S121 VanDerWaalsContact CE1-OG 3.24Å; H97-S121 PolarHBondContact ND1-OG 2.86Å; S117-S121 PolarHBondContact N-O 2.62Å; D119-S121 PolarHBondContact O-N 2.9Å; D119-S121 WeakPolarHBondContact OD1-CB 3.35Å; D119-S121 PolarHBondContact OD1-N 3.48Å; D119-S121 VanDerWaalsContact OD1-N 3.13Å; D119-S121 PolarHBondContact OD1-OG 2.89Å; S121-N137 WeakPolarHBondContact CB-OD1 3.46Å
122	V	98.2	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.3	157.2	179	0	0	0	0	107.5	C114 T115 A116 L136 V143 C146 I155	C114-V122 HydrophobicContact CB-CG1 4.44Å; T115-V122 CarbonylContact O-C 3.58Å; T115-V122 VanDerWaalsContact O-CA 3.25Å; T115-V122 WeakPolarHBondContact O-CA 3.17Å; A116-V122 HydrophobicContact CB-CG2 4.44Å; V122-L136 HydrophobicContact CB-CB 4.18Å; V122-L136 HydrophobicContact CB-CD1 4.36Å; V122-L136 HydrophobicContact CG1-CD1 4.26Å; V122-L136 PolarHBondContact N-O 2.84Å; V122-L136 PolarHBondContact O-N 3.43Å; V122-V143 HydrophobicContact CG2-CB 4.49Å; V122-V143 HydrophobicContact CG2-CG1 3.74Å; V122-V143 HydrophobicContact CG2-CG2 4.36Å; V122-C146 HydrophobicContact CG1-CB 4.05Å; V122-C146 HydrophobicContact CG2-CB 4.31Å; V122-I155 HydrophobicContact CG1-CG2 4.49Å
123	K	97.9	Very high	96.2	Very high	39 Å²	39	44.8 Å²	44.8	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144	177.6	-70.3	-179.4	-176.5	-176.6	0	110.6	A96 C114 T115 W125 F132 S135	A96-K123 WeakPolarHBondContact O-CD 3.43Å; A96-K123 PolarHBondContact O-NZ 3.06Å; C114-K123 CarbonylContact C-O 3.52Å; C114-K123 VanDerWaalsContact CA-O 3.3Å; C114-K123 WeakPolarHBondContact CA-O 3.11Å; T115-K123 PolarHBondContact N-O 2.78Å; T115-K123 PolarHBondContact O-N 2.84Å; T115-K123 PolarHBondContact OG1-O 2.75Å; K123-W125 HydrophobicContact CB-CZ2 3.77Å; K123-W125 HydrophobicContact CD-CH2 4.15Å; K123-W125 HydrophobicContact CD-CZ2 3.56Å; K123-W125 HydrophobicContact CG-CZ2 4.34Å; K123-W125 PolarHBondContact O-NE1 3.43Å; K123-F132 HydrophobicContact CB-CE2 4.12Å; K123-F132 HydrophobicContact CD-CD2 4.39Å; K123-F132 HydrophobicContact CD-CE2 3.94Å; K123-F132 HydrophobicContact CG-CE2 3.95Å; K123-S135 WeakPolarHBondContact CG-OG 3.49Å
124	V	97.7	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.5	176.5	-173.5	0	0	0	0	109.1	R112 M113 C114 L133 F134 F148 I155	R112-V124 HydrophobicContact CB-CG1 4.48Å; M113-V124 WeakPolarHBondContact O-CA 3Å; C114-V124 HydrophobicContact CB-CG2 4.4Å; V124-L133 HydrophobicContact CG1-CD1 4.29Å; V124-L133 WeakPolarHBondContact O-CB 3.48Å; V124-L133 PolarHBondContact O-N 2.75Å; V124-F134 HydrophobicContact CB-CD1 4.42Å; V124-F134 HydrophobicContact CB-CD2 4.25Å; V124-F134 HydrophobicContact CB-CE1 4.04Å; V124-F134 HydrophobicContact CB-CE2 3.85Å; V124-F134 HydrophobicContact CB-CZ 3.74Å; V124-F134 HydrophobicContact CG1-CE1 4.13Å; V124-F134 HydrophobicContact CG1-CZ 3.97Å; V124-F134 HydrophobicContact CG2-CD2 4.15Å; V124-F134 HydrophobicContact CG2-CE1 4.46Å; V124-F134 HydrophobicContact CG2-CE2 3.48Å; V124-F134 VanDerWaalsContact CG2-CE2 3.48Å; V124-F134 HydrophobicContact CG2-CZ 3.67Å; V124-F134 PolarHBondContact N-O 2.67Å; V124-F134 PolarHBondContact O-N 2.81Å; V124-F148 HydrophobicContact CG1-CZ 4.47Å; V124-I155 HydrophobicContact CG2-CD1 3.67Å
125	W	97.2	Very high	96.2	Very high	19 Å²	19	47.4 Å²	47.4	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.2	-173.4	-44.1	78.5	0	0	0	109.7	F94 A96 R112 M113 T115 K123 K131 F132	F94-W125 HydrophobicContact CD2-CZ3 4.41Å; F94-W125 HydrophobicContact CE2-CD2 4.2Å; F94-W125 HydrophobicContact CE2-CE3 4.13Å; F94-W125 HydrophobicContact CE2-CZ3 4.3Å; A96-W125 HydrophobicContact CB-CH2 4.15Å; A96-W125 HydrophobicContact CB-CZ2 3.64Å; A96-W125 VanDerWaalsContact O-CH2 3.27Å; A96-W125 WeakPolarHBondContact O-CH2 3.3Å; A96-W125 VanDerWaalsContact O-CZ2 3.22Å; A96-W125 WeakPolarHBondContact O-CZ2 3.5Å; R112-W125 CarbonylContact C-O 3.56Å; R112-W125 WeakPolarHBondContact CA-O 3.34Å; M113-W125 HydrophobicContact CE-CB 3.39Å; M113-W125 HydrophobicContact CE-CD2 4.41Å; M113-W125 HydrophobicContact CE-CG 3.72Å; M113-W125 HydrophobicContact CG-CB 3.7Å; M113-W125 HydrophobicContact CG-CG 4.15Å; M113-W125 PolarHBondContact N-O 2.71Å; M113-W125 PolarHBondContact O-N 2.64Å; M113-W125 HydrophobicContact SD-CB 4.4Å; T115-W125 PolarHBondContact OG1-NE1 3.23Å; K123-W125 HydrophobicContact CB-CZ2 3.77Å; K123-W125 HydrophobicContact CD-CH2 4.15Å; K123-W125 HydrophobicContact CD-CZ2 3.56Å; K123-W125 HydrophobicContact CG-CZ2 4.34Å; K123-W125 PolarHBondContact O-NE1 3.43Å; W125-K131 CarbonylContact C-O 3.56Å; W125-K131 WeakPolarHBondContact CA-O 3.37Å; W125-F132 HydrophobicContact CD2-CD2 4.32Å; W125-F132 VanDerWaalsContact CE3-CA 3.5Å; W125-F132 HydrophobicContact CE3-CB 3.73Å; W125-F132 HydrophobicContact CE3-CD2 4.08Å; W125-F132 HydrophobicContact CE3-CG 4.42Å; W125-F132 HydrophobicContact CH2-CB 4.42Å; W125-F132 AromaticContact CH2-CD2 3.92Å; W125-F132 HydrophobicContact CH2-CD2 3.92Å; W125-F132 HydrophobicContact CZ2-CD2 4.2Å; W125-F132 HydrophobicContact CZ3-CB 3.6Å; W125-F132 AromaticContact CZ3-CD2 3.89Å; W125-F132 HydrophobicContact CZ3-CD2 3.89Å; W125-F132 HydrophobicContact CZ3-CG 4.2Å
126	S	96.4	Very high	96.2	Very high	18 Å²	18	47.6 Å²	47.6	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.4	162.6	178.3	0	0	0	0	108.5	R129 Q130 K131	S126-R129 WeakPolarHBondContact OG-CB 3.45Å; S126-Q130 VanDerWaalsContact O-CA 3.23Å; S126-Q130 WeakPolarHBondContact O-CA 3.18Å; S126-Q130 PolarHBondContact O-N 2.86Å; S126-K131 PolarHBondContact N-O 2.93Å; S126-K131 PolarHBondContact O-N 2.8Å
127	L	93.9	Very high	96.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-56.6	-174.7	-180	56.2	0	0	0	111.2	L70 L72 L82 V106 D110 S111 M113 Q130	L70-L127 HydrophobicContact CD1-CG 4.47Å; L72-L127 HydrophobicContact CD2-CD1 3.74Å; L72-L127 HydrophobicContact CG-CD1 4.39Å; L82-L127 HydrophobicContact CD1-CD1 4.31Å; L82-L127 HydrophobicContact CD2-CD1 3.67Å; V106-L127 HydrophobicContact CG1-CD2 3.82Å; D110-L127 WeakPolarHBondContact OD1-CD2 3.48Å; S111-L127 PolarHBondContact O-N 3.38Å; M113-L127 HydrophobicContact CG-CD1 4.44Å; M113-L127 HydrophobicContact SD-CD1 3.9Å; L127-Q130 WeakPolarHBondContact O-CG 3.36Å; L127-Q130 PolarHBondContact O-N 2.83Å
128	H	90.7	Very high	96	Very high	112 Å²	112	57.2 Å²	57.2	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.6	-177.6	-67.9	89.7	0	0	0	113.5	D110 Q130	D110-H128 PolarHBondContact O-CE1 3.33Å; D110-H128 PolarHBondContact O-ND1 3.05Å; H128-Q130 VanDerWaalsContact C-N 3.29Å
129	R	91.6	Very high	96	Very high	208 Å²	208	56.7 Å²	56.7	79%	0.785	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.7	178.3	-61.2	180	175.7	-99.6	1.9	113	S126 K131	S126-R129 WeakPolarHBondContact OG-CB 3.45Å; R129-K131 HydrophobicContact CB-CB 4.22Å; R129-K131 PolarHBondContact O-N 2.9Å
130	Q	89.8	Confident	96	Very high	84 Å²	84	60 Å²	60	39%	0.393	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	34.6	-177.7	-56.7	171.4	9.7	0	0	112.7	L82 I92 S126 L127 H128	L82-Q130 HydrophobicContact CD1-CG 4.01Å; I92-Q130 VanDerWaalsContact CD1-NE2 3.29Å; S126-Q130 VanDerWaalsContact O-CA 3.23Å; S126-Q130 WeakPolarHBondContact O-CA 3.18Å; S126-Q130 PolarHBondContact O-N 2.86Å; L127-Q130 WeakPolarHBondContact O-CG 3.36Å; L127-Q130 PolarHBondContact O-N 2.83Å; H128-Q130 VanDerWaalsContact C-N 3.29Å
131	K	94	Very high	95.9	Very high	138 Å²	138	58.3 Å²	58.3	60%	0.6	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.7	-171.5	-171.3	-177.2	174	-178.3	0	109.9	W125 S126 R129 L133	W125-K131 CarbonylContact C-O 3.56Å; W125-K131 WeakPolarHBondContact CA-O 3.37Å; S126-K131 PolarHBondContact N-O 2.93Å; S126-K131 PolarHBondContact O-N 2.8Å; R129-K131 HydrophobicContact CB-CB 4.22Å; R129-K131 PolarHBondContact O-N 2.9Å; K131-L133 PolarHBondContact O-N 2.89Å
132	F	96.3	Very high	95.9	Very high	94 Å²	94	64 Å²	64	41%	0.412	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.5	168.4	175.8	-105	0	0	0	110.8	K123 W125 F134	K123-F132 HydrophobicContact CB-CE2 4.12Å; K123-F132 HydrophobicContact CD-CD2 4.39Å; K123-F132 HydrophobicContact CD-CE2 3.94Å; K123-F132 HydrophobicContact CG-CE2 3.95Å; W125-F132 HydrophobicContact CD2-CD2 4.32Å; W125-F132 VanDerWaalsContact CE3-CA 3.5Å; W125-F132 HydrophobicContact CE3-CB 3.73Å; W125-F132 HydrophobicContact CE3-CD2 4.08Å; W125-F132 HydrophobicContact CE3-CG 4.42Å; W125-F132 HydrophobicContact CH2-CB 4.42Å; W125-F132 AromaticContact CH2-CD2 3.92Å; W125-F132 HydrophobicContact CH2-CD2 3.92Å; W125-F132 HydrophobicContact CZ2-CD2 4.2Å; W125-F132 HydrophobicContact CZ3-CB 3.6Å; W125-F132 AromaticContact CZ3-CD2 3.89Å; W125-F132 HydrophobicContact CZ3-CD2 3.89Å; W125-F132 HydrophobicContact CZ3-CG 4.2Å; F132-F134 VanDerWaalsContact CE2-O 3.27Å; F132-F134 WeakPolarHBondContact CE2-O 3.49Å
133	L	96.4	Very high	95.9	Very high	72 Å²	72	64 Å²	64	38%	0.377	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-65.7	177.3	-59.6	178.5	0	0	0	110.7	R112 V124 K131	R112-L133 HydrophobicContact CG-CD1 4.18Å; V124-L133 HydrophobicContact CG1-CD1 4.29Å; V124-L133 WeakPolarHBondContact O-CB 3.48Å; V124-L133 PolarHBondContact O-N 2.75Å; K131-L133 PolarHBondContact O-N 2.89Å
134	F	97.2	Very high	95.9	Very high	20 Å²	20	62.8 Å²	62.8	9%	0.088	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	170.3	-178.2	58.2	-94.1	0	0	0	111.9	V124 F132 L136 Q172	V124-F134 HydrophobicContact CB-CD1 4.42Å; V124-F134 HydrophobicContact CB-CD2 4.25Å; V124-F134 HydrophobicContact CB-CE1 4.04Å; V124-F134 HydrophobicContact CB-CE2 3.85Å; V124-F134 HydrophobicContact CB-CZ 3.74Å; V124-F134 HydrophobicContact CG1-CE1 4.13Å; V124-F134 HydrophobicContact CG1-CZ 3.97Å; V124-F134 HydrophobicContact CG2-CD2 4.15Å; V124-F134 HydrophobicContact CG2-CE1 4.46Å; V124-F134 HydrophobicContact CG2-CE2 3.48Å; V124-F134 VanDerWaalsContact CG2-CE2 3.48Å; V124-F134 HydrophobicContact CG2-CZ 3.67Å; V124-F134 PolarHBondContact N-O 2.67Å; V124-F134 PolarHBondContact O-N 2.81Å; F132-F134 VanDerWaalsContact CE2-O 3.27Å; F132-F134 WeakPolarHBondContact CE2-O 3.49Å; F134-L136 HydrophobicContact CD2-CD2 4.08Å; F134-L136 HydrophobicContact CD2-CG 4.3Å; F134-L136 HydrophobicContact CE2-CD1 4.41Å; F134-L136 HydrophobicContact CE2-CD2 3.97Å; F134-L136 HydrophobicContact CE2-CG 4.17Å; F134-Q172 HydrophobicContact CD1-CG 3.98Å; F134-Q172 HydrophobicContact CD2-CB 4.33Å; F134-Q172 HydrophobicContact CD2-CG 4.07Å; F134-Q172 HydrophobicContact CE1-CG 4.01Å; F134-Q172 HydrophobicContact CE2-CB 4.46Å; F134-Q172 HydrophobicContact CE2-CG 4.09Å; F134-Q172 HydrophobicContact CG-CG 4.02Å; F134-Q172 HydrophobicContact CZ-CG 4.06Å
135	S	97.2	Very high	95.9	Very high	37 Å²	37	62.8 Å²	62.8	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.9	-178.5	-160.1	0	0	0	0	110.9	K123 N137	K123-S135 WeakPolarHBondContact CG-OG 3.49Å; S135-N137 PolarHBondContact OG-OD1 2.9Å
136	L	97	Very high	96	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.2	179	-56.4	170.9	0	0	0	108.1	V122 F134 I155 W167	V122-L136 HydrophobicContact CB-CB 4.18Å; V122-L136 HydrophobicContact CB-CD1 4.36Å; V122-L136 HydrophobicContact CG1-CD1 4.26Å; V122-L136 PolarHBondContact N-O 2.84Å; V122-L136 PolarHBondContact O-N 3.43Å; F134-L136 HydrophobicContact CD2-CD2 4.08Å; F134-L136 HydrophobicContact CD2-CG 4.3Å; F134-L136 HydrophobicContact CE2-CD1 4.41Å; F134-L136 HydrophobicContact CE2-CD2 3.97Å; F134-L136 HydrophobicContact CE2-CG 4.17Å; L136-I155 HydrophobicContact CD1-CD1 4.37Å; L136-W167 HydrophobicContact CB-CD2 4.07Å; L136-W167 HydrophobicContact CB-CE3 3.87Å; L136-W167 HydrophobicContact CB-CH2 3.93Å; L136-W167 HydrophobicContact CB-CZ2 4.17Å; L136-W167 HydrophobicContact CB-CZ3 3.79Å; L136-W167 HydrophobicContact CD1-CB 3.84Å; L136-W167 HydrophobicContact CD1-CD2 3.81Å; L136-W167 HydrophobicContact CD1-CE3 4.12Å; L136-W167 HydrophobicContact CD1-CG 3.69Å; L136-W167 HydrophobicContact CD2-CD2 4.31Å; L136-W167 HydrophobicContact CD2-CE3 3.75Å; L136-W167 HydrophobicContact CD2-CZ3 4.2Å; L136-W167 HydrophobicContact CG-CD2 4.28Å; L136-W167 HydrophobicContact CG-CE3 4.12Å; L136-W167 HydrophobicContact CG-CZ3 4.48Å
137	N	96.1	Very high	96.1	Very high	106 Å²	106	61.4 Å²	61.4	57%	0.567	29%	0.286	S	S	*	.			trans	-117.7	27.9	-162.1	-63.7	-23.9	0	0	0	114.3	S121 S135	S121-N137 WeakPolarHBondContact CB-OD1 3.46Å; S135-N137 PolarHBondContact OG-OD1 2.9Å
138	Q	97	Very high	96.3	Very high	96 Å²	96	61.9 Å²	61.9	45%	0.449	29%	0.288	S	S	.	.			trans	-89.8	-8.4	-179.6	-53.3	-176.4	-2.9	0	0	114.6	K165 W167 C174	Q138-K165 HydrophobicContact CB-CD 4.07Å; Q138-K165 WeakPolarHBondContact O-CE 3.25Å; Q138-W167 HydrophobicContact CB-CH2 3.57Å; Q138-W167 HydrophobicContact CB-CZ3 4.16Å; Q138-W167 HydrophobicContact CG-CH2 3.71Å; Q138-W167 HydrophobicContact CG-CZ3 3.76Å; Q138-C174 VanDerWaalsContact CD-CB 3.42Å
139	H	97.6	Very high	96.6	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.032	27%	0.265	C	S	.	.			trans	-72.8	139.3	173.3	-81	-59.2	0	0	0	110.3	V143 S157 S159 D161 T163	H139-V143 HydrophobicContact CB-CG2 3.96Å; H139-S157 PolarHBondContact CD2-OG 2.9Å; H139-S157 PolarHBondContact NE2-OG 2.8Å; H139-S159 VanDerWaalsContact CE1-CB 3.42Å; H139-S159 WeakPolarHBondContact CE1-CB 3.23Å; H139-S159 WeakPolarHBondContact ND1-CB 3.35Å; H139-D161 WeakPolarHBondContact CA-OD2 3.2Å; H139-D161 WeakPolarHBondContact CB-OD2 3.41Å; H139-D161 IonicContact CG-OD2 3.38Å; H139-D161 IonicContact ND1-OD1 3.41Å; H139-D161 IonicContact ND1-OD2 2.77Å; H139-D161 PolarHBondContact ND1-OD2 3.36Å; H139-T163 PolarHBondContact CE1-OG1 3.24Å; H139-T163 PolarHBondContact ND1-OG1 3.18Å
140	V	97.3	Very high	96.8	Very high	103 Å²	103	49.5 Å²	49.5	62%	0.624	25%	0.245	S	C	*	.	S	Bend	trans	-97.8	-8.3	-177.1	-62.4	0	0	0	0	112.7	K120 D161	K120-V140 WeakPolarHBondContact CD-O 3.49Å; K120-V140 WeakPolarHBondContact CE-O 3.31Å; K120-V140 PolarHBondContact NZ-O 3.39Å; V140-D161 HydrophobicContact CG2-CB 3.37Å; V140-D161 PolarHBondContact N-OD2 3.5Å
141	N	97.6	Very high	97	Very high	60 Å²	60	49.9 Å²	49.9	32%	0.321	25%	0.25	S	C	.	.	S	Bend	trans	-138.3	-176.9	179	-150.3	-12	0	0	0	111.8	K120 V143 S159 D160 D161	K120-N141 WeakPolarHBondContact CA-O 3.45Å; K120-N141 WeakPolarHBondContact CB-O 3.48Å; K120-N141 WeakPolarHBondContact CG-O 3.39Å; N141-V143 PolarHBondContact O-N 3.06Å; N141-S159 PolarHBondContact O-OG 3.15Å; N141-D160 HydrophobicContact CB-CB 3.93Å; N141-D160 WeakPolarHBondContact ND2-CB 3.45Å; N141-D161 HydrophobicContact CB-CB 3.95Å
142	W	97.7	Very high	97.1	Very high	126 Å²	126	44.1 Å²	44.1	48%	0.477	23%	0.227	S	C	.	.			trans	-58.4	126.7	-175.5	-63.4	-11	0	0	0	112.4	A118 S159 D160	A118-W142 HydrophobicContact CB-CB 4.39Å; A118-W142 HydrophobicContact CB-CD2 4.24Å; A118-W142 HydrophobicContact CB-CG 3.94Å; A118-W142 PolarHBondContact O-NE1 3.28Å; W142-S159 WeakPolarHBondContact O-CA 3.31Å; W142-S159 PolarHBondContact O-OG 3.29Å; W142-D160 PolarHBondContact O-N 3.28Å
143	V	98.3	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.7	175.5	-166.8	0	0	0	0	109.2	A116 S117 V122 H139 N141 S158	A116-V143 HydrophobicContact CB-CB 4.01Å; A116-V143 HydrophobicContact CB-CG1 3.59Å; S117-V143 PolarHBondContact O-N 2.85Å; S117-V143 VanDerWaalsContact O-N 3.08Å; V122-V143 HydrophobicContact CG2-CB 4.49Å; V122-V143 HydrophobicContact CG2-CG1 3.74Å; V122-V143 HydrophobicContact CG2-CG2 4.36Å; H139-V143 HydrophobicContact CB-CG2 3.96Å; N141-V143 PolarHBondContact O-N 3.06Å; V143-S158 CarbonylContact C-O 3.52Å; V143-S158 WeakPolarHBondContact CA-O 3.15Å; V143-S158 WeakPolarHBondContact CG1-O 3.43Å
144	R	97.7	Very high	97.1	Very high	14 Å²	14	46.4 Å²	46.4	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-43.1	-174.2	-75.6	-67.5	-171.3	-81.8	1.7	112.9	S158 D160 F184	R144-S158 PolarHBondContact N-O 3.2Å; R144-D160 WeakPolarHBondContact CG-OD1 3.22Å; R144-D160 IonicContact CZ-OD1 3.99Å; R144-D160 IonicContact CZ-OD2 3.59Å; R144-D160 IonicContact NE-OD1 3.61Å; R144-D160 PolarHBondContact NE-OD1 2.95Å; R144-D160 VanDerWaalsContact NE-OD1 3.12Å; R144-D160 IonicContact NH1-OD1 3.47Å; R144-D160 PolarHBondContact NH1-OD1 3.46Å; R144-D160 IonicContact NH1-OD2 3.02Å; R144-D160 PolarHBondContact NH1-OD2 2.86Å; R144-D160 IonicContact NH2-OD1 2.88Å; R144-D160 PolarHBondContact NH2-OD1 3.13Å; R144-D160 IonicContact NH2-OD2 2.93Å; R144-D160 PolarHBondContact NH2-OD2 2.62Å; R144-F184 HydrophobicContact CG-CD2 4.49Å
145	C	97.9	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.3	-177.5	-173.3	0	0	0	0	110.2	W103 S157 S158 H187	W103-C145 HydrophobicContact CG-CB 4.34Å; C145-S157 CarbonylContact O-C 3.6Å; C145-S157 WeakPolarHBondContact O-CA 3.47Å; C145-S157 WeakPolarHBondContact O-CB 3.46Å; C145-S158 PolarHBondContact N-OG 3.27Å; C145-S158 PolarHBondContact O-N 2.83Å; C145-H187 PolarHBondContact SG-CD2 3.5Å
146	C	98	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.5	165.8	58.5	0	0	0	0	109.3	C114 A116 V122 I155 I156	C114-C146 PolarHBondContact SG-SG 2.95Å; A116-C146 HydrophobicContact CB-CB 3.86Å; A116-C146 VanDerWaalsContact CB-SG 3.52Å; A116-C146 PolarHBondContact N-SG 3.48Å; A116-C146 VanDerWaalsContact N-SG 3.35Å; V122-C146 HydrophobicContact CG1-CB 4.05Å; V122-C146 HydrophobicContact CG2-CB 4.31Å; C146-I155 HydrophobicContact CB-CG2 4.42Å; C146-I156 CarbonylContact C-O 3.59Å; C146-I156 WeakPolarHBondContact CA-O 3.25Å
147	R	98.1	Very high	97.3	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.6	177.7	-67.3	-63.9	-164.9	-173.6	13.3	111.3	D105 I155 I156 H187 L188 D189 F190	D105-R147 IonicContact OD1-CZ 3.55Å; D105-R147 IonicContact OD1-NH1 3.54Å; D105-R147 PolarHBondContact OD1-NH1 2.86Å; D105-R147 VanDerWaalsContact OD2-CA 3.26Å; D105-R147 WeakPolarHBondContact OD2-CA 3.22Å; D105-R147 VanDerWaalsContact OD2-CD 3.31Å; D105-R147 WeakPolarHBondContact OD2-CD 3.41Å; R147-I155 CarbonylContact O-C 3.56Å; R147-I155 WeakPolarHBondContact O-CA 3.37Å; R147-I155 WeakPolarHBondContact O-CG2 3.42Å; R147-I156 HydrophobicContact CB-CD1 4.26Å; R147-I156 HydrophobicContact CB-CG1 3.83Å; R147-I156 PolarHBondContact N-O 2.93Å; R147-I156 PolarHBondContact O-N 3.44Å; R147-H187 PolarHBondContact NH2-NE2 2.86Å; R147-L188 WeakPolarHBondContact CG-O 3.5Å; R147-L188 PolarHBondContact NE-O 3.46Å; R147-D189 IonicContact NE-OD1 4Å; R147-F190 HydrophobicContact CB-CD2 3.9Å; R147-F190 HydrophobicContact CB-CE2 3.96Å
148	F	97.9	Very high	97.4	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	146	164.8	-76.9	-74.6	0	0	0	110.9	D105 R112 C114 V124 L154 I155 T169 F190	D105-F148 HydrophobicContact CB-CD2 4.2Å; D105-F148 PolarHBondContact OD2-N 2.94Å; R112-F148 HydrophobicContact CB-CZ 4.17Å; C114-F148 HydrophobicContact CB-CD2 4.39Å; C114-F148 HydrophobicContact CB-CE2 3.64Å; C114-F148 HydrophobicContact CB-CZ 3.74Å; V124-F148 HydrophobicContact CG1-CZ 4.47Å; F148-L154 WeakPolarHBondContact CA-O 3.37Å; F148-I155 HydrophobicContact CD1-CD1 4.1Å; F148-I155 HydrophobicContact CD1-CG1 3.53Å; F148-I155 HydrophobicContact CE1-CD1 3.55Å; F148-I155 HydrophobicContact CE1-CG1 3.55Å; F148-I155 HydrophobicContact CG-CG1 4.32Å; F148-I155 HydrophobicContact CZ-CD1 4.04Å; F148-I155 HydrophobicContact CZ-CG1 4.34Å; F148-T169 HydrophobicContact CD1-CG2 4.4Å; F148-T169 HydrophobicContact CE1-CG2 4.03Å; F148-F190 WeakPolarHBondContact O-CD2 3.33Å; F148-F190 VanDerWaalsContact O-CE2 3.26Å; F148-F190 WeakPolarHBondContact O-CE2 3.06Å
149	S	97.2	Very high	97.4	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.028	17%	0.165	C	C	.	.			trans	-64.8	157.7	164.5	53.9	0	0	0	0	110.4	D151 S152 R153 L154	S149-D151 VanDerWaalsContact CB-OD1 3.3Å; S149-D151 WeakPolarHBondContact CB-OD1 3.42Å; S149-D151 PolarHBondContact O-N 3.49Å; S149-D151 VanDerWaalsContact O-N 3.11Å; S149-D151 PolarHBondContact OG-OD1 3.39Å; S149-S152 WeakPolarHBondContact O-CA 3.37Å; S149-S152 PolarHBondContact O-N 2.85Å; S149-R153 PolarHBondContact OG-N 3.48Å; S149-L154 PolarHBondContact N-O 3.4Å; S149-L154 PolarHBondContact OG-N 3.48Å; S149-L154 PolarHBondContact OG-O 3.07Å
150	P	95.8	Very high	97.4	Very high	57 Å²	57	34.7 Å²	34.7	37%	0.37	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.4	178.4	-28.1	35.9	0	0	0	114.3	A108 S152 F190	A108-P150 WeakPolarHBondContact CB-O 3.13Å; P150-S152 VanDerWaalsContact C-N 3.35Å; P150-F190 HydrophobicContact CG-CB 4.43Å
151	D	95.3	Very high	97.4	Very high	92 Å²	92	31.1 Å²	31.1	49%	0.492	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.3	175.5	70.1	-7.9	0	0	0	114	S149 R153	S149-D151 VanDerWaalsContact CB-OD1 3.3Å; S149-D151 WeakPolarHBondContact CB-OD1 3.42Å; S149-D151 PolarHBondContact O-N 3.49Å; S149-D151 VanDerWaalsContact O-N 3.11Å; S149-D151 PolarHBondContact OG-OD1 3.39Å; D151-R153 HydrophobicContact CB-CG 4.43Å; D151-R153 PolarHBondContact O-N 3.32Å; D151-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 PolarHBondContact OD1-N 3.47Å; D151-R153 VanDerWaalsContact OD1-N 3.12Å; D151-R153 WeakPolarHBondContact OD2-CD 3.34Å
152	S	95.4	Very high	97.4	Very high	17 Å²	17	33.7 Å²	33.7	12%	0.119	16%	0.155	C	C	.	.	S	Bend	trans	60	12.9	-178.6	-52.2	0	0	0	0	116.2	S107 A108 S149 P150 T169	S107-S152 WeakPolarHBondContact CB-OG 3.15Å; A108-S152 WeakPolarHBondContact CB-OG 3.19Å; A108-S152 PolarHBondContact N-OG 2.93Å; S149-S152 WeakPolarHBondContact O-CA 3.37Å; S149-S152 PolarHBondContact O-N 2.85Å; P150-S152 VanDerWaalsContact C-N 3.35Å; S152-T169 PolarHBondContact O-OG1 3.32Å
153	R	95.8	Very high	97.4	Very high	172 Å²	172	28.8 Å²	28.8	65%	0.649	14%	0.139	S	C	*	.	S	Bend	trans	-83.8	-30.8	179.5	-64.3	-174.5	-179.9	-172.3	-1.8	113	S149 D151 T169	S149-R153 PolarHBondContact OG-N 3.48Å; D151-R153 HydrophobicContact CB-CG 4.43Å; D151-R153 PolarHBondContact O-N 3.32Å; D151-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 PolarHBondContact OD1-N 3.47Å; D151-R153 VanDerWaalsContact OD1-N 3.12Å; D151-R153 WeakPolarHBondContact OD2-CD 3.34Å; R153-T169 WeakPolarHBondContact O-CB 3.44Å; R153-T169 WeakPolarHBondContact O-CG2 3.46Å; R153-T169 PolarHBondContact O-N 3.35Å; R153-T169 PolarHBondContact O-OG1 3.1Å
154	L	97.2	Very high	97.3	Very high	41 Å²	41	28.9 Å²	28.9	22%	0.215	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.9	-177.1	-57	173	0	0	0	110.6	F148 S149 L166 W167 D168	F148-L154 WeakPolarHBondContact CA-O 3.37Å; S149-L154 PolarHBondContact N-O 3.4Å; S149-L154 PolarHBondContact OG-N 3.48Å; S149-L154 PolarHBondContact OG-O 3.07Å; L154-L166 HydrophobicContact CB-CD1 4.01Å; L154-L166 HydrophobicContact CD1-CD1 4.16Å; L154-L166 HydrophobicContact CG-CD1 4.49Å; L154-W167 CarbonylContact C-O 3.59Å; L154-W167 VanDerWaalsContact CA-O 3.22Å; L154-W167 WeakPolarHBondContact CA-O 3.32Å; L154-D168 HydrophobicContact CD2-CB 4.46Å
155	I	98.1	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.9	166.2	-66	167.5	0	0	0	107.8	C114 V122 V124 L136 C146 R147 F148 L166 W167 T169	C114-I155 HydrophobicContact CB-CD1 4.02Å; V122-I155 HydrophobicContact CG1-CG2 4.49Å; V124-I155 HydrophobicContact CG2-CD1 3.67Å; L136-I155 HydrophobicContact CD1-CD1 4.37Å; C146-I155 HydrophobicContact CB-CG2 4.42Å; R147-I155 CarbonylContact O-C 3.56Å; R147-I155 WeakPolarHBondContact O-CA 3.37Å; R147-I155 WeakPolarHBondContact O-CG2 3.42Å; F148-I155 HydrophobicContact CD1-CD1 4.1Å; F148-I155 HydrophobicContact CD1-CG1 3.53Å; F148-I155 HydrophobicContact CE1-CD1 3.55Å; F148-I155 HydrophobicContact CE1-CG1 3.55Å; F148-I155 HydrophobicContact CG-CG1 4.32Å; F148-I155 HydrophobicContact CZ-CD1 4.04Å; F148-I155 HydrophobicContact CZ-CG1 4.34Å; I155-L166 CarbonylContact O-C 3.54Å; I155-W167 HydrophobicContact CB-CB 4.23Å; I155-W167 PolarHBondContact N-O 2.78Å; I155-W167 VanDerWaalsContact O-CD1 3.26Å; I155-W167 PolarHBondContact O-N 2.81Å; I155-T169 HydrophobicContact CD1-CG2 3.69Å; I155-T169 HydrophobicContact CG1-CG2 3.65Å
156	I	98.2	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.3	163.2	59.2	-173.7	0	0	0	109.6	C146 R147 K165 L166 L188 F190 F197	C146-I156 CarbonylContact C-O 3.59Å; C146-I156 WeakPolarHBondContact CA-O 3.25Å; R147-I156 HydrophobicContact CB-CD1 4.26Å; R147-I156 HydrophobicContact CB-CG1 3.83Å; R147-I156 PolarHBondContact N-O 2.93Å; R147-I156 PolarHBondContact O-N 3.44Å; I156-K165 CarbonylContact C-O 3.52Å; I156-K165 WeakPolarHBondContact CA-O 3.42Å; I156-L166 HydrophobicContact CG2-CD1 3.54Å; I156-L188 HydrophobicContact CB-CD1 4.05Å; I156-L188 HydrophobicContact CD1-CB 3.73Å; I156-L188 HydrophobicContact CD1-CD1 4.11Å; I156-L188 HydrophobicContact CD1-CG 4.5Å; I156-L188 HydrophobicContact CG1-CB 4.19Å; I156-L188 HydrophobicContact CG1-CD1 3.9Å; I156-F190 HydrophobicContact CB-CE2 4.18Å; I156-F190 HydrophobicContact CB-CZ 4.07Å; I156-F190 HydrophobicContact CD1-CD1 4.38Å; I156-F190 HydrophobicContact CD1-CD2 3.66Å; I156-F190 HydrophobicContact CD1-CE1 4.25Å; I156-F190 HydrophobicContact CD1-CE2 3.51Å; I156-F190 HydrophobicContact CD1-CG 4.13Å; I156-F190 HydrophobicContact CD1-CZ 3.85Å; I156-F190 HydrophobicContact CG1-CD2 4.03Å; I156-F190 HydrophobicContact CG1-CE2 3.41Å; I156-F190 VanDerWaalsContact CG1-CE2 3.41Å; I156-F190 HydrophobicContact CG1-CZ 3.78Å; I156-F190 HydrophobicContact CG2-CE1 3.97Å; I156-F190 HydrophobicContact CG2-CE2 4.07Å; I156-F190 HydrophobicContact CG2-CZ 3.46Å; I156-F190 VanDerWaalsContact CG2-CZ 3.46Å; I156-F197 HydrophobicContact CD1-CB 3.74Å; I156-F197 HydrophobicContact CD1-CD2 4.11Å; I156-F197 HydrophobicContact CD1-CG 3.93Å; I156-F197 HydrophobicContact CG2-CD1 4.39Å
157	S	98.4	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.6	171.6	63	0	0	0	0	112.7	H139 C145 I164 K165 W167	H139-S157 PolarHBondContact CD2-OG 2.9Å; H139-S157 PolarHBondContact NE2-OG 2.8Å; C145-S157 CarbonylContact O-C 3.6Å; C145-S157 WeakPolarHBondContact O-CA 3.47Å; C145-S157 WeakPolarHBondContact O-CB 3.46Å; S157-I164 CarbonylContact O-C 3.54Å; S157-I164 VanDerWaalsContact O-CA 3.23Å; S157-I164 WeakPolarHBondContact O-CA 3.46Å; S157-K165 PolarHBondContact N-O 2.93Å; S157-K165 PolarHBondContact O-N 2.74Å; S157-W167 PolarHBondContact OG-NE1 3.19Å
158	S	98.1	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.8	174.2	65	0	0	0	0	111.5	V143 R144 C145 A185	V143-S158 CarbonylContact C-O 3.52Å; V143-S158 WeakPolarHBondContact CA-O 3.15Å; V143-S158 WeakPolarHBondContact CG1-O 3.43Å; R144-S158 PolarHBondContact N-O 3.2Å; C145-S158 PolarHBondContact N-OG 3.27Å; C145-S158 PolarHBondContact O-N 2.83Å; S158-A185 WeakPolarHBondContact CB-O 3.43Å; S158-A185 PolarHBondContact OG-O 3.24Å
159	S	98.2	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.2	-177	169.1	0	0	0	0	112.1	H139 N141 W142 D161 K162 T163 F184	H139-S159 VanDerWaalsContact CE1-CB 3.42Å; H139-S159 WeakPolarHBondContact CE1-CB 3.23Å; H139-S159 WeakPolarHBondContact ND1-CB 3.35Å; N141-S159 PolarHBondContact O-OG 3.15Å; W142-S159 WeakPolarHBondContact O-CA 3.31Å; W142-S159 PolarHBondContact O-OG 3.29Å; S159-D161 VanDerWaalsContact CB-OD1 3.22Å; S159-D161 WeakPolarHBondContact CB-OD1 3.27Å; S159-D161 WeakPolarHBondContact CB-OD2 3.23Å; S159-D161 PolarHBondContact O-N 2.86Å; S159-D161 VanDerWaalsContact O-N 3.11Å; S159-D161 PolarHBondContact OG-N 3.07Å; S159-D161 PolarHBondContact OG-OD1 2.95Å; S159-D161 PolarHBondContact OG-OD2 3.09Å; S159-K162 PolarHBondContact O-N 3.46Å; S159-K162 VanDerWaalsContact O-N 3.14Å; S159-T163 PolarHBondContact N-O 3.26Å; S159-F184 WeakPolarHBondContact O-CB 3.16Å
160	D	97.3	Very high	97.1	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.128	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.4	172.8	-71.1	0.1	0	0	0	113.3	N141 W142 R144 K162	N141-D160 HydrophobicContact CB-CB 3.93Å; N141-D160 WeakPolarHBondContact ND2-CB 3.45Å; W142-D160 PolarHBondContact O-N 3.28Å; R144-D160 WeakPolarHBondContact CG-OD1 3.22Å; R144-D160 IonicContact CZ-OD1 3.99Å; R144-D160 IonicContact CZ-OD2 3.59Å; R144-D160 IonicContact NE-OD1 3.61Å; R144-D160 PolarHBondContact NE-OD1 2.95Å; R144-D160 VanDerWaalsContact NE-OD1 3.12Å; R144-D160 IonicContact NH1-OD1 3.47Å; R144-D160 PolarHBondContact NH1-OD1 3.46Å; R144-D160 IonicContact NH1-OD2 3.02Å; R144-D160 PolarHBondContact NH1-OD2 2.86Å; R144-D160 IonicContact NH2-OD1 2.88Å; R144-D160 PolarHBondContact NH2-OD1 3.13Å; R144-D160 IonicContact NH2-OD2 2.93Å; R144-D160 PolarHBondContact NH2-OD2 2.62Å; D160-K162 PolarHBondContact O-N 2.94Å
161	D	97	Very high	97.1	Very high	29 Å²	29	39.2 Å²	39.2	16%	0.155	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	5.7	170.2	62	25	0	0	0	113.4	H139 V140 N141 S159 T163	H139-D161 WeakPolarHBondContact CA-OD2 3.2Å; H139-D161 WeakPolarHBondContact CB-OD2 3.41Å; H139-D161 IonicContact CG-OD2 3.38Å; H139-D161 IonicContact ND1-OD1 3.41Å; H139-D161 IonicContact ND1-OD2 2.77Å; H139-D161 PolarHBondContact ND1-OD2 3.36Å; V140-D161 HydrophobicContact CG2-CB 3.37Å; V140-D161 PolarHBondContact N-OD2 3.5Å; N141-D161 HydrophobicContact CB-CB 3.95Å; S159-D161 VanDerWaalsContact CB-OD1 3.22Å; S159-D161 WeakPolarHBondContact CB-OD1 3.27Å; S159-D161 WeakPolarHBondContact CB-OD2 3.23Å; S159-D161 PolarHBondContact O-N 2.86Å; S159-D161 VanDerWaalsContact O-N 3.11Å; S159-D161 PolarHBondContact OG-N 3.07Å; S159-D161 PolarHBondContact OG-OD1 2.95Å; S159-D161 PolarHBondContact OG-OD2 3.09Å; D161-T163 VanDerWaalsContact CG-OG1 3.29Å; D161-T163 PolarHBondContact O-N 3.44Å; D161-T163 WeakPolarHBondContact OD1-CA 3.47Å; D161-T163 VanDerWaalsContact OD1-CB 3.31Å; D161-T163 WeakPolarHBondContact OD1-CB 3.22Å; D161-T163 PolarHBondContact OD1-N 3.01Å; D161-T163 PolarHBondContact OD1-OG1 3.19Å
162	K	97	Very high	97.1	Very high	113 Å²	113	40.1 Å²	40.1	49%	0.491	20%	0.197	S	C	.	.	S	Bend	trans	65.2	21.8	-179.2	-48.4	178	-179	176.6	0	113.2	S159 D160 E180 F184	S159-K162 PolarHBondContact O-N 3.46Å; S159-K162 VanDerWaalsContact O-N 3.14Å; D160-K162 PolarHBondContact O-N 2.94Å; K162-E180 PolarHBondContact O-N 2.77Å; K162-F184 HydrophobicContact CG-CB 4.45Å
163	T	97.6	Very high	97.1	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.3	174.3	73.9	0	0	0	0	111.8	H139 S159 D161 T177 F178	H139-T163 PolarHBondContact CE1-OG1 3.24Å; H139-T163 PolarHBondContact ND1-OG1 3.18Å; S159-T163 PolarHBondContact N-O 3.26Å; D161-T163 VanDerWaalsContact CG-OG1 3.29Å; D161-T163 PolarHBondContact O-N 3.44Å; D161-T163 WeakPolarHBondContact OD1-CA 3.47Å; D161-T163 VanDerWaalsContact OD1-CB 3.31Å; D161-T163 WeakPolarHBondContact OD1-CB 3.22Å; D161-T163 PolarHBondContact OD1-N 3.01Å; D161-T163 PolarHBondContact OD1-OG1 3.19Å; T163-T177 HydrophobicContact CG2-CG2 3.92Å; T163-F178 WeakPolarHBondContact CA-O 2.96Å
164	I	98	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	164	-59.5	162.4	0	0	0	106.3	S157 T177 F178 E180 A185 L188 F197	S157-I164 CarbonylContact O-C 3.54Å; S157-I164 VanDerWaalsContact O-CA 3.23Å; S157-I164 WeakPolarHBondContact O-CA 3.46Å; I164-T177 CarbonylContact O-C 3.56Å; I164-T177 WeakPolarHBondContact O-CA 3.44Å; I164-F178 HydrophobicContact CB-CB 4.17Å; I164-F178 HydrophobicContact CG2-CD2 4.37Å; I164-F178 PolarHBondContact N-O 3Å; I164-F178 PolarHBondContact O-N 3.44Å; I164-E180 HydrophobicContact CD1-CG 3.82Å; I164-E180 HydrophobicContact CG1-CG 4.32Å; I164-A185 HydrophobicContact CD1-CB 3.77Å; I164-A185 HydrophobicContact CG1-CB 3.89Å; I164-L188 HydrophobicContact CD1-CD2 3.73Å; I164-L188 HydrophobicContact CG1-CD2 4.06Å; I164-L188 HydrophobicContact CG2-CD1 3.73Å; I164-L188 HydrophobicContact CG2-CD2 4.22Å; I164-F197 HydrophobicContact CD1-CE2 4.13Å; I164-F197 HydrophobicContact CG2-CE2 3.92Å; I164-F197 HydrophobicContact CG2-CZ 4.05Å
165	K	98	Very high	97.2	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.6	-179.6	-72.2	-177.6	174	-74.5	0	110.2	Q138 I156 S157 W167 T177	Q138-K165 HydrophobicContact CB-CD 4.07Å; Q138-K165 WeakPolarHBondContact O-CE 3.25Å; I156-K165 CarbonylContact C-O 3.52Å; I156-K165 WeakPolarHBondContact CA-O 3.42Å; S157-K165 PolarHBondContact N-O 2.93Å; S157-K165 PolarHBondContact O-N 2.74Å; K165-W167 HydrophobicContact CB-CD2 4.42Å; K165-W167 HydrophobicContact CB-CZ2 3.62Å; K165-W167 HydrophobicContact CD-CH2 3.79Å; K165-W167 HydrophobicContact CD-CZ2 3.43Å; K165-W167 VanDerWaalsContact CD-CZ2 3.43Å; K165-W167 HydrophobicContact CG-CZ2 4.15Å; K165-W167 PolarHBondContact O-NE1 3.35Å; K165-T177 HydrophobicContact CG-CG2 4.11Å; K165-T177 PolarHBondContact NZ-OG1 2.82Å
166	L	98	Very high	97.1	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.4	169	-176.8	67.3	0	0	0	108.5	L154 I155 I156 C174 V175 H176 F178 L211	L154-L166 HydrophobicContact CB-CD1 4.01Å; L154-L166 HydrophobicContact CD1-CD1 4.16Å; L154-L166 HydrophobicContact CG-CD1 4.49Å; I155-L166 CarbonylContact O-C 3.54Å; I156-L166 HydrophobicContact CG2-CD1 3.54Å; L166-C174 CarbonylContact O-C 3.55Å; L166-C174 WeakPolarHBondContact O-CA 3.39Å; L166-C174 PolarHBondContact O-SG 3.35Å; L166-C174 VanDerWaalsContact O-SG 3.37Å; L166-V175 HydrophobicContact CD2-CB 4.26Å; L166-V175 HydrophobicContact CD2-CG1 4.3Å; L166-V175 HydrophobicContact CG-CB 4.32Å; L166-V175 PolarHBondContact O-N 3.24Å; L166-H176 HydrophobicContact CB-CB 4.31Å; L166-H176 PolarHBondContact N-O 2.93Å; L166-H176 PolarHBondContact O-N 2.82Å; L166-F178 HydrophobicContact CB-CE2 4.28Å; L166-L211 HydrophobicContact CD1-CD2 3.74Å; L166-L211 HydrophobicContact CD2-CD2 3.83Å; L166-L211 HydrophobicContact CG-CD2 4.37Å
167	W	97.8	Very high	97.1	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.011	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.9	-175.6	-48.6	91.1	0	0	0	110.2	L136 Q138 L154 I155 S157 K165 S173 C174	L136-W167 HydrophobicContact CB-CD2 4.07Å; L136-W167 HydrophobicContact CB-CE3 3.87Å; L136-W167 HydrophobicContact CB-CH2 3.93Å; L136-W167 HydrophobicContact CB-CZ2 4.17Å; L136-W167 HydrophobicContact CB-CZ3 3.79Å; L136-W167 HydrophobicContact CD1-CB 3.84Å; L136-W167 HydrophobicContact CD1-CD2 3.81Å; L136-W167 HydrophobicContact CD1-CE3 4.12Å; L136-W167 HydrophobicContact CD1-CG 3.69Å; L136-W167 HydrophobicContact CD2-CD2 4.31Å; L136-W167 HydrophobicContact CD2-CE3 3.75Å; L136-W167 HydrophobicContact CD2-CZ3 4.2Å; L136-W167 HydrophobicContact CG-CD2 4.28Å; L136-W167 HydrophobicContact CG-CE3 4.12Å; L136-W167 HydrophobicContact CG-CZ3 4.48Å; Q138-W167 HydrophobicContact CB-CH2 3.57Å; Q138-W167 HydrophobicContact CB-CZ3 4.16Å; Q138-W167 HydrophobicContact CG-CH2 3.71Å; Q138-W167 HydrophobicContact CG-CZ3 3.76Å; L154-W167 CarbonylContact C-O 3.59Å; L154-W167 VanDerWaalsContact CA-O 3.22Å; L154-W167 WeakPolarHBondContact CA-O 3.32Å; I155-W167 HydrophobicContact CB-CB 4.23Å; I155-W167 PolarHBondContact N-O 2.78Å; I155-W167 VanDerWaalsContact O-CD1 3.26Å; I155-W167 PolarHBondContact O-N 2.81Å; S157-W167 PolarHBondContact OG-NE1 3.19Å; K165-W167 HydrophobicContact CB-CD2 4.42Å; K165-W167 HydrophobicContact CB-CZ2 3.62Å; K165-W167 HydrophobicContact CD-CH2 3.79Å; K165-W167 HydrophobicContact CD-CZ2 3.43Å; K165-W167 VanDerWaalsContact CD-CZ2 3.43Å; K165-W167 HydrophobicContact CG-CZ2 4.15Å; K165-W167 PolarHBondContact O-NE1 3.35Å; W167-S173 WeakPolarHBondContact CA-O 3.47Å; W167-C174 HydrophobicContact CD2-CB 4.33Å; W167-C174 HydrophobicContact CE3-CB 3.61Å; W167-C174 HydrophobicContact CH2-CB 4.32Å; W167-C174 HydrophobicContact CZ3-CB 3.61Å
168	D	97.2	Very high	97	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.3	168.2	-173.9	-27	0	0	0	108.6	L154 E170 A171 Q172 S173 V175	L154-D168 HydrophobicContact CD2-CB 4.46Å; D168-E170 PolarHBondContact OD1-N 2.92Å; D168-A171 HydrophobicContact CB-CB 3.98Å; D168-A171 PolarHBondContact OD1-N 2.58Å; D168-A171 VanDerWaalsContact OD1-N 3.17Å; D168-Q172 VanDerWaalsContact O-CA 3.27Å; D168-Q172 WeakPolarHBondContact O-CA 3.33Å; D168-Q172 PolarHBondContact O-N 2.89Å; D168-S173 PolarHBondContact N-O 3.25Å; D168-S173 PolarHBondContact O-N 3.03Å; D168-V175 HydrophobicContact CB-CG2 3.61Å
169	T	95.3	Very high	96.8	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.055	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25	-179.2	62.5	0	0	0	0	113.4	F148 S152 R153 I155	F148-T169 HydrophobicContact CD1-CG2 4.4Å; F148-T169 HydrophobicContact CE1-CG2 4.03Å; S152-T169 PolarHBondContact O-OG1 3.32Å; R153-T169 WeakPolarHBondContact O-CB 3.44Å; R153-T169 WeakPolarHBondContact O-CG2 3.46Å; R153-T169 PolarHBondContact O-N 3.35Å; R153-T169 PolarHBondContact O-OG1 3.1Å; I155-T169 HydrophobicContact CD1-CG2 3.69Å; I155-T169 HydrophobicContact CG1-CG2 3.65Å
170	E	94.8	Very high	96.4	Very high	168 Å²	168	50.1 Å²	50.1	79%	0.785	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-50.4	177.9	-175.6	171.6	-174.2	0	0	110.2	D168 Q172	D168-E170 PolarHBondContact OD1-N 2.92Å; E170-Q172 PolarHBondContact O-N 2.89Å
171	A	95.9	Very high	96	Very high	58 Å²	58	53 Å²	53	48%	0.479	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.6	177.3	0	0	0	0	0	113.6	D168 S173	D168-A171 HydrophobicContact CB-CB 3.98Å; D168-A171 PolarHBondContact OD1-N 2.58Å; D168-A171 VanDerWaalsContact OD1-N 3.17Å; A171-S173 PolarHBondContact O-N 3.24Å; A171-S173 VanDerWaalsContact O-N 3.12Å
172	Q	96.1	Very high	95.6	Very high	111 Å²	111	55.1 Å²	55.1	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	34.2	178.6	-57.6	173.9	32.7	0	0	113.5	F134 D168 E170	F134-Q172 HydrophobicContact CD1-CG 3.98Å; F134-Q172 HydrophobicContact CD2-CB 4.33Å; F134-Q172 HydrophobicContact CD2-CG 4.07Å; F134-Q172 HydrophobicContact CE1-CG 4.01Å; F134-Q172 HydrophobicContact CE2-CB 4.46Å; F134-Q172 HydrophobicContact CE2-CG 4.09Å; F134-Q172 HydrophobicContact CG-CG 4.02Å; F134-Q172 HydrophobicContact CZ-CG 4.06Å; D168-Q172 VanDerWaalsContact O-CA 3.27Å; D168-Q172 WeakPolarHBondContact O-CA 3.33Å; D168-Q172 PolarHBondContact O-N 2.89Å; E170-Q172 PolarHBondContact O-N 2.89Å
173	S	96.4	Very high	95.4	Very high	51 Å²	51	50 Å²	50	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.6	-172.2	61.8	0	0	0	0	111.4	W167 D168 A171 V175	W167-S173 WeakPolarHBondContact CA-O 3.47Å; D168-S173 PolarHBondContact N-O 3.25Å; D168-S173 PolarHBondContact O-N 3.03Å; A171-S173 PolarHBondContact O-N 3.24Å; A171-S173 VanDerWaalsContact O-N 3.12Å; S173-V175 PolarHBondContact O-N 3.29Å
174	C	97	Very high	95.4	Very high	26 Å²	26	50.4 Å²	50.4	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.1	174.4	-174.3	0	0	0	0	109	Q138 L166 W167 H176	Q138-C174 VanDerWaalsContact CD-CB 3.42Å; L166-C174 CarbonylContact O-C 3.55Å; L166-C174 WeakPolarHBondContact O-CA 3.39Å; L166-C174 PolarHBondContact O-SG 3.35Å; L166-C174 VanDerWaalsContact O-SG 3.37Å; W167-C174 HydrophobicContact CD2-CB 4.33Å; W167-C174 HydrophobicContact CE3-CB 3.61Å; W167-C174 HydrophobicContact CH2-CB 4.32Å; W167-C174 HydrophobicContact CZ3-CB 3.61Å; C174-H176 PolarHBondContact SG-O 3.04Å
175	V	96.3	Very high	95.3	Very high	82 Å²	82	50.4 Å²	50.4	50%	0.497	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-44.5	177.5	-179.3	0	0	0	0	110.3	L166 D168 S173	L166-V175 HydrophobicContact CD2-CB 4.26Å; L166-V175 HydrophobicContact CD2-CG1 4.3Å; L166-V175 HydrophobicContact CG-CB 4.32Å; L166-V175 PolarHBondContact O-N 3.24Å; D168-V175 HydrophobicContact CB-CG2 3.61Å; S173-V175 PolarHBondContact O-N 3.29Å
176	H	96.9	Very high	95.3	Very high	59 Å²	59	50.3 Å²	50.3	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.9	-176	-165	67.9	0	0	0	112.1	L166 C174 F178	L166-H176 HydrophobicContact CB-CB 4.31Å; L166-H176 PolarHBondContact N-O 2.93Å; L166-H176 PolarHBondContact O-N 2.82Å; C174-H176 PolarHBondContact SG-O 3.04Å; H176-F178 AromaticContact CD2-CD1 3.88Å; H176-F178 AromaticContact CD2-CD2 3.85Å; H176-F178 AromaticContact CD2-CE1 3.74Å; H176-F178 AromaticContact CD2-CE2 3.69Å; H176-F178 AromaticContact CD2-CG 3.93Å; H176-F178 AromaticContact CD2-CZ 3.62Å
177	T	97.3	Very high	95.3	Very high	47 Å²	47	50.1 Å²	50.1	29%	0.288	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.7	174.9	-61.2	0	0	0	0	109.2	T163 I164 K165	T163-T177 HydrophobicContact CG2-CG2 3.92Å; I164-T177 CarbonylContact O-C 3.56Å; I164-T177 WeakPolarHBondContact O-CA 3.44Å; K165-T177 HydrophobicContact CG-CG2 4.11Å; K165-T177 PolarHBondContact NZ-OG1 2.82Å
178	F	96.7	Very high	95.3	Very high	6 Å²	6	50 Å²	50	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.6	171	-54.2	-94	0	0	0	109.7	T163 I164 L166 H176 F197 W209 L211 N214	T163-F178 WeakPolarHBondContact CA-O 2.96Å; I164-F178 HydrophobicContact CB-CB 4.17Å; I164-F178 HydrophobicContact CG2-CD2 4.37Å; I164-F178 PolarHBondContact N-O 3Å; I164-F178 PolarHBondContact O-N 3.44Å; L166-F178 HydrophobicContact CB-CE2 4.28Å; H176-F178 AromaticContact CD2-CD1 3.88Å; H176-F178 AromaticContact CD2-CD2 3.85Å; H176-F178 AromaticContact CD2-CE1 3.74Å; H176-F178 AromaticContact CD2-CE2 3.69Å; H176-F178 AromaticContact CD2-CG 3.93Å; H176-F178 AromaticContact CD2-CZ 3.62Å; F178-F197 HydrophobicContact CD1-CZ 4.44Å; F178-F197 HydrophobicContact CD2-CE1 4.18Å; F178-F197 AromaticContact CD2-CZ 3.77Å; F178-F197 HydrophobicContact CD2-CZ 3.77Å; F178-F197 HydrophobicContact CE1-CE1 4.36Å; F178-F197 HydrophobicContact CE1-CZ 4.4Å; F178-F197 AromaticContact CE2-CE1 3.66Å; F178-F197 HydrophobicContact CE2-CE1 3.66Å; F178-F197 AromaticContact CE2-CZ 3.76Å; F178-F197 HydrophobicContact CE2-CZ 3.76Å; F178-F197 HydrophobicContact CG-CZ 4.14Å; F178-F197 AromaticContact CZ-CE1 3.78Å; F178-F197 HydrophobicContact CZ-CE1 3.78Å; F178-F197 HydrophobicContact CZ-CZ 4.1Å; F178-W209 HydrophobicContact CD1-CD2 4.36Å; F178-W209 AromaticContact CD1-CE3 3.79Å; F178-W209 HydrophobicContact CD1-CE3 3.79Å; F178-W209 HydrophobicContact CD1-CZ3 4.29Å; F178-W209 HydrophobicContact CE1-CE3 4.38Å; F178-L211 HydrophobicContact CZ-CD2 4.47Å; F178-N214 HydrophobicContact CE1-CB 4.22Å
179	Q	94.8	Very high	95.3	Very high	159 Å²	159	49.2 Å²	49.2	74%	0.743	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	130	178.4	-65.6	-175.8	-8.6	0	0	110.4
180	E	90.1	Very high	95.4	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.042	29%	0.291	C	S	.	.			trans	-97.6	127.4	172.7	-76.3	-74.3	-177.6	0	0	110	K162 I164 A185 S199 K207 W209	K162-E180 PolarHBondContact O-N 2.77Å; I164-E180 HydrophobicContact CD1-CG 3.82Å; I164-E180 HydrophobicContact CG1-CG 4.32Å; E180-A185 HydrophobicContact CG-CB 4.42Å; E180-S199 PolarHBondContact OE1-OG 3.34Å; E180-K207 WeakPolarHBondContact OE2-CD 3.33Å; E180-K207 IonicContact OE2-NZ 3.24Å; E180-K207 PolarHBondContact OE2-NZ 2.77Å; E180-W209 WeakPolarHBondContact OE1-CZ2 3.32Å; E180-W209 PolarHBondContact OE1-NE1 2.91Å
181	S	87.6	Confident	95.6	Very high	84 Å²	84	41.8 Å²	41.8	59%	0.587	26%	0.255	S	S	*	.	S	Bend	trans	-92	141.8	176.1	54.2	0	0	0	0	111.3	G183 N203	S181-G183 PolarHBondContact O-N 3.13Å; S181-G183 VanDerWaalsContact O-N 3.11Å; S181-N203 PolarHBondContact O-ND2 2.95Å
182	G	88.7	Confident	95.5	Very high	74 Å²	74	41.6 Å²	41.6	76%	0.763	25%	0.249	S	C	*	.	S	Bend	trans	75.1	-10.1	174.5	0	0	0	0	0	116.6
183	G	93.6	Very high	95.4	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	24%	0.24	C	C	.	.	S	Bend	trans	-168.6	-170.2	-179.5	0	0	0	0	0	111.8	S181	S181-G183 PolarHBondContact O-N 3.13Å; S181-G183 VanDerWaalsContact O-N 3.11Å
184	F	96.3	Very high	95.4	Very high	32 Å²	32	37.1 Å²	37.1	14%	0.14	23%	0.233	C	C	.	.			trans	-123.6	147.6	172.1	55.4	-98	0	0	0	110	R144 S159 K162 S186 S201 T202	R144-F184 HydrophobicContact CG-CD2 4.49Å; S159-F184 WeakPolarHBondContact O-CB 3.16Å; K162-F184 HydrophobicContact CG-CB 4.45Å; F184-S186 PolarHBondContact O-N 2.99Å; F184-S201 WeakPolarHBondContact O-CA 3.43Å; F184-S201 PolarHBondContact O-OG 2.72Å; F184-T202 HydrophobicContact CD2-CG2 3.89Å; F184-T202 HydrophobicContact CE1-CG2 4.19Å; F184-T202 HydrophobicContact CE2-CG2 3.37Å; F184-T202 HydrophobicContact CG-CG2 4.48Å; F184-T202 HydrophobicContact CZ-CG2 3.55Å; F184-T202 PolarHBondContact N-OG1 2.84Å; F184-T202 VanDerWaalsContact N-OG1 3.09Å; F184-T202 PolarHBondContact O-N 3.01Å; F184-T202 PolarHBondContact O-OG1 2.81Å
185	A	97.2	Very high	95.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.3	176.6	0	0	0	0	0	110.4	S158 I164 E180 H187 L188 G200	S158-A185 WeakPolarHBondContact CB-O 3.43Å; S158-A185 PolarHBondContact OG-O 3.24Å; I164-A185 HydrophobicContact CD1-CB 3.77Å; I164-A185 HydrophobicContact CG1-CB 3.89Å; E180-A185 HydrophobicContact CG-CB 4.42Å; A185-H187 VanDerWaalsContact C-N 3.35Å; A185-L188 HydrophobicContact CB-CD2 3.98Å; A185-G200 CarbonylContact C-O 3.53Å; A185-G200 WeakPolarHBondContact CA-O 3.47Å
186	S	96.8	Very high	95.3	Very high	18 Å²	18	36.8 Å²	36.8	13%	0.126	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-31.4	178.4	70.7	0	0	0	0	111.7	F184 G200 V227	F184-S186 PolarHBondContact O-N 2.99Å; S186-G200 PolarHBondContact N-O 2.79Å; S186-G200 PolarHBondContact OG-O 3.19Å; S186-G200 VanDerWaalsContact OG-O 3.1Å; S186-V227 WeakPolarHBondContact CB-O 3.49Å; S186-V227 PolarHBondContact OG-O 3.07Å
187	H	98	Very high	95.3	Very high	2 Å²	2	34 Å²	34	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	151.4	-175.2	-170.4	-104.8	0	0	0	111.2	W103 C145 R147 A185 G200 H228 K229 V230	W103-H187 AromaticContact CE2-CD2 3.81Å; W103-H187 AromaticContact CE2-NE2 3.53Å; W103-H187 AromaticContact CH2-CD2 3.66Å; W103-H187 AromaticContact CH2-NE2 3.51Å; W103-H187 AromaticContact CZ2-CD2 3.55Å; W103-H187 AromaticContact CZ2-NE2 3.05Å; W103-H187 WeakPolarHBondContact CZ2-NE2 3.36Å; C145-H187 PolarHBondContact SG-CD2 3.5Å; R147-H187 PolarHBondContact NH2-NE2 2.86Å; A185-H187 VanDerWaalsContact C-N 3.35Å; H187-G200 PolarHBondContact N-O 3.23Å; H187-G200 PolarHBondContact O-N 2.86Å; H187-H228 WeakPolarHBondContact CB-O 3.36Å; H187-K229 PolarHBondContact CD2-NZ 3.21Å; H187-K229 VanDerWaalsContact CD2-NZ 3.32Å; H187-V230 PolarHBondContact CE1-O 3.14Å; H187-V230 PolarHBondContact ND1-N 3.09Å; H187-V230 VanDerWaalsContact ND1-N 3.17Å; H187-V230 PolarHBondContact ND1-O 3.4Å; H187-V230 VanDerWaalsContact ND1-O 3.17Å
188	L	98	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.3	-177.4	-57.9	174.8	0	0	0	109.5	R147 I156 I164 A185 F197 A198	R147-L188 WeakPolarHBondContact CG-O 3.5Å; R147-L188 PolarHBondContact NE-O 3.46Å; I156-L188 HydrophobicContact CB-CD1 4.05Å; I156-L188 HydrophobicContact CD1-CB 3.73Å; I156-L188 HydrophobicContact CD1-CD1 4.11Å; I156-L188 HydrophobicContact CD1-CG 4.5Å; I156-L188 HydrophobicContact CG1-CB 4.19Å; I156-L188 HydrophobicContact CG1-CD1 3.9Å; I164-L188 HydrophobicContact CD1-CD2 3.73Å; I164-L188 HydrophobicContact CG1-CD2 4.06Å; I164-L188 HydrophobicContact CG2-CD1 3.73Å; I164-L188 HydrophobicContact CG2-CD2 4.22Å; A185-L188 HydrophobicContact CB-CD2 3.98Å; L188-F197 HydrophobicContact CD2-CD2 4.3Å; L188-F197 HydrophobicContact CD2-CE2 4.33Å; L188-A198 WeakPolarHBondContact CA-O 3.38Å
189	D	98.1	Very high	95.4	Very high	31 Å²	31	31.4 Å²	31.4	17%	0.166	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	135.4	171.7	-156	42.8	0	0	0	111.4	R147 F197 A198 V230 A231 C232	R147-D189 IonicContact NE-OD1 4Å; D189-F197 CarbonylContact O-C 3.59Å; D189-F197 VanDerWaalsContact O-CA 3.29Å; D189-F197 WeakPolarHBondContact O-CA 3.38Å; D189-F197 WeakPolarHBondContact O-CB 3.4Å; D189-A198 PolarHBondContact N-O 3.47Å; D189-A198 VanDerWaalsContact N-O 3.07Å; D189-A198 PolarHBondContact O-N 3.13Å; D189-V230 HydrophobicContact CB-CG2 4.23Å; D189-A231 WeakPolarHBondContact OD2-CA 3.2Å; D189-C232 PolarHBondContact OD2-N 3.28Å
190	F	97.8	Very high	95.5	Very high	13 Å²	13	23.9 Å²	23.9	6%	0.057	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.7	175.8	-80.7	-85.1	0	0	0	110.5	R147 F148 P150 I156 F197 L211 C232	R147-F190 HydrophobicContact CB-CD2 3.9Å; R147-F190 HydrophobicContact CB-CE2 3.96Å; F148-F190 WeakPolarHBondContact O-CD2 3.33Å; F148-F190 VanDerWaalsContact O-CE2 3.26Å; F148-F190 WeakPolarHBondContact O-CE2 3.06Å; P150-F190 HydrophobicContact CG-CB 4.43Å; I156-F190 HydrophobicContact CB-CE2 4.18Å; I156-F190 HydrophobicContact CB-CZ 4.07Å; I156-F190 HydrophobicContact CD1-CD1 4.38Å; I156-F190 HydrophobicContact CD1-CD2 3.66Å; I156-F190 HydrophobicContact CD1-CE1 4.25Å; I156-F190 HydrophobicContact CD1-CE2 3.51Å; I156-F190 HydrophobicContact CD1-CG 4.13Å; I156-F190 HydrophobicContact CD1-CZ 3.85Å; I156-F190 HydrophobicContact CG1-CD2 4.03Å; I156-F190 HydrophobicContact CG1-CE2 3.41Å; I156-F190 VanDerWaalsContact CG1-CE2 3.41Å; I156-F190 HydrophobicContact CG1-CZ 3.78Å; I156-F190 HydrophobicContact CG2-CE1 3.97Å; I156-F190 HydrophobicContact CG2-CE2 4.07Å; I156-F190 HydrophobicContact CG2-CZ 3.46Å; I156-F190 VanDerWaalsContact CG2-CZ 3.46Å; F190-F197 HydrophobicContact CD1-CB 4.16Å; F190-L211 HydrophobicContact CD1-CD1 3.92Å; F190-L211 HydrophobicContact CE1-CD1 3.59Å; F190-C232 WeakPolarHBondContact O-CB 3.1Å
191	H	97.2	Very high	95.9	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.042	16%	0.162	C	C	.	.			trans	-68.4	142.3	163.7	-174.4	-90.7	0	0	0	109.4	S193 G194 C196 G236	H191-S193 PolarHBondContact CE1-OG 3.35Å; H191-S193 WeakPolarHBondContact ND1-CB 3.45Å; H191-S193 PolarHBondContact ND1-N 3.23Å; H191-S193 VanDerWaalsContact ND1-N 3.13Å; H191-S193 PolarHBondContact ND1-OG 2.9Å; H191-S193 PolarHBondContact O-N 2.9Å; H191-G194 PolarHBondContact O-N 3.36Å; H191-C196 VanDerWaalsContact CB-O 3.27Å; H191-C196 WeakPolarHBondContact CB-O 3.47Å; H191-C196 WeakPolarHBondContact CB-SG 3.5Å; H191-C196 VanDerWaalsContact CG-SG 3.52Å; H191-C196 PolarHBondContact N-O 2.78Å; H191-G236 VanDerWaalsContact NE2-C 3.32Å; H191-G236 WeakPolarHBondContact NE2-CA 3.27Å; H191-G236 PolarHBondContact NE2-O 3.1Å
192	P	95.2	Very high	96.3	Very high	53 Å²	53	21.3 Å²	21.3	34%	0.344	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.9	-177.5	21	-34.9	0	0	0	114.4	G194	P192-G194 PolarHBondContact O-N 2.97Å
193	S	94.4	Very high	96.6	Very high	48 Å²	48	19.7 Å²	19.7	34%	0.336	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.8	173.6	72.1	0	0	0	0	114.6	H191 N195	H191-S193 PolarHBondContact CE1-OG 3.35Å; H191-S193 WeakPolarHBondContact ND1-CB 3.45Å; H191-S193 PolarHBondContact ND1-N 3.23Å; H191-S193 VanDerWaalsContact ND1-N 3.13Å; H191-S193 PolarHBondContact ND1-OG 2.9Å; H191-S193 PolarHBondContact O-N 2.9Å; S193-N195 PolarHBondContact O-N 3.24Å; S193-N195 PolarHBondContact OG-N 3.25Å
194	G	94.5	Very high	96.8	Very high	21 Å²	21	21 Å²	21	22%	0.216	13%	0.127	C	C	.	.	S	Bend	trans	74.8	-0.1	-176.7	0	0	0	0	0	115.5	H191 P192 L211	H191-G194 PolarHBondContact O-N 3.36Å; P192-G194 PolarHBondContact O-N 2.97Å; G194-L211 VanDerWaalsContact O-CD1 3.26Å; G194-L211 WeakPolarHBondContact O-CD1 3.47Å
195	N	94.9	Very high	96.8	Very high	91 Å²	91	19.9 Å²	19.9	49%	0.487	12%	0.123	S	C	.	.	S	Bend	trans	-91.5	-16.8	-175.1	-66.4	-26	0	0	0	114.3	S193 L211	S193-N195 PolarHBondContact O-N 3.24Å; S193-N195 PolarHBondContact OG-N 3.25Å; N195-L211 WeakPolarHBondContact O-CB 3.34Å; N195-L211 PolarHBondContact O-N 2.58Å
196	C	96.6	Very high	96.8	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.061	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	167.9	-179.8	55	0	0	0	0	110.9	H191 L208 W209 L217	H191-C196 VanDerWaalsContact CB-O 3.27Å; H191-C196 WeakPolarHBondContact CB-O 3.47Å; H191-C196 WeakPolarHBondContact CB-SG 3.5Å; H191-C196 VanDerWaalsContact CG-SG 3.52Å; H191-C196 PolarHBondContact N-O 2.78Å; C196-L208 HydrophobicContact CB-CD1 4.45Å; C196-L208 HydrophobicContact CB-CG 4.44Å; C196-W209 CarbonylContact C-O 3.55Å; C196-W209 WeakPolarHBondContact CA-O 3.36Å; C196-W209 WeakPolarHBondContact CB-O 3.19Å; C196-L217 HydrophobicContact CB-CD1 4.06Å
197	F	97.7	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.5	173.5	66	-87	0	0	0	110.5	I156 I164 F178 L188 D189 F190 W209 L211	I156-F197 HydrophobicContact CD1-CB 3.74Å; I156-F197 HydrophobicContact CD1-CD2 4.11Å; I156-F197 HydrophobicContact CD1-CG 3.93Å; I156-F197 HydrophobicContact CG2-CD1 4.39Å; I164-F197 HydrophobicContact CD1-CE2 4.13Å; I164-F197 HydrophobicContact CG2-CE2 3.92Å; I164-F197 HydrophobicContact CG2-CZ 4.05Å; F178-F197 HydrophobicContact CD1-CZ 4.44Å; F178-F197 HydrophobicContact CD2-CE1 4.18Å; F178-F197 AromaticContact CD2-CZ 3.77Å; F178-F197 HydrophobicContact CD2-CZ 3.77Å; F178-F197 HydrophobicContact CE1-CE1 4.36Å; F178-F197 HydrophobicContact CE1-CZ 4.4Å; F178-F197 AromaticContact CE2-CE1 3.66Å; F178-F197 HydrophobicContact CE2-CE1 3.66Å; F178-F197 AromaticContact CE2-CZ 3.76Å; F178-F197 HydrophobicContact CE2-CZ 3.76Å; F178-F197 HydrophobicContact CG-CZ 4.14Å; F178-F197 AromaticContact CZ-CE1 3.78Å; F178-F197 HydrophobicContact CZ-CE1 3.78Å; F178-F197 HydrophobicContact CZ-CZ 4.1Å; L188-F197 HydrophobicContact CD2-CD2 4.3Å; L188-F197 HydrophobicContact CD2-CE2 4.33Å; D189-F197 CarbonylContact O-C 3.59Å; D189-F197 VanDerWaalsContact O-CA 3.29Å; D189-F197 WeakPolarHBondContact O-CA 3.38Å; D189-F197 WeakPolarHBondContact O-CB 3.4Å; F190-F197 HydrophobicContact CD1-CB 4.16Å; F197-W209 HydrophobicContact CD1-CB 4.08Å; F197-W209 HydrophobicContact CD2-CB 4.35Å; F197-W209 AromaticContact CD2-CD1 4Å; F197-W209 HydrophobicContact CD2-CG 4.48Å; F197-W209 HydrophobicContact CE1-CB 3.57Å; F197-W209 HydrophobicContact CE1-CG 4.29Å; F197-W209 HydrophobicContact CE2-CB 3.85Å; F197-W209 AromaticContact CE2-CD1 3.41Å; F197-W209 VanDerWaalsContact CE2-CD1 3.41Å; F197-W209 AromaticContact CE2-CG 3.75Å; F197-W209 HydrophobicContact CE2-CG 3.75Å; F197-W209 HydrophobicContact CG-CB 4.46Å; F197-W209 HydrophobicContact CZ-CB 3.44Å; F197-W209 VanDerWaalsContact CZ-CB 3.44Å; F197-W209 AromaticContact CZ-CD1 3.82Å; F197-W209 AromaticContact CZ-CG 3.65Å; F197-W209 HydrophobicContact CZ-CG 3.65Å; F197-W209 PolarHBondContact N-O 2.86Å; F197-W209 PolarHBondContact O-N 2.76Å; F197-L211 HydrophobicContact CD1-CD1 4.28Å; F197-L211 HydrophobicContact CD1-CD2 3.48Å; F197-L211 VanDerWaalsContact CD1-CD2 3.48Å; F197-L211 HydrophobicContact CD1-CG 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.57Å; F197-L211 HydrophobicContact CE1-CG 4.17Å
198	A	97.8	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.5	173.6	0	0	0	0	0	110.6	L188 D189 K207 L208 V230 L239	L188-A198 WeakPolarHBondContact CA-O 3.38Å; D189-A198 PolarHBondContact N-O 3.47Å; D189-A198 VanDerWaalsContact N-O 3.07Å; D189-A198 PolarHBondContact O-N 3.13Å; A198-K207 CarbonylContact C-O 3.48Å; A198-K207 VanDerWaalsContact CA-O 3.24Å; A198-K207 WeakPolarHBondContact CA-O 3.38Å; A198-L208 HydrophobicContact CB-CD1 4.21Å; A198-V230 HydrophobicContact CB-CB 4.4Å; A198-V230 HydrophobicContact CB-CG2 4.25Å; A198-L239 HydrophobicContact CB-CD1 3.58Å; A198-L239 HydrophobicContact CB-CD2 3.98Å; A198-L239 HydrophobicContact CB-CG 4.47Å
199	S	97.7	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.6	168.9	66.1	0	0	0	0	110.8	E180 V206 K207 W209	E180-S199 PolarHBondContact OE1-OG 3.34Å; S199-V206 WeakPolarHBondContact O-CA 3.42Å; S199-K207 PolarHBondContact N-O 2.82Å; S199-K207 PolarHBondContact O-N 2.87Å; S199-W209 PolarHBondContact OG-NE1 3.29Å
200	G	97.5	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.1	165.9	0	0	0	0	0	109.1	A185 S186 H187	A185-G200 CarbonylContact C-O 3.53Å; A185-G200 WeakPolarHBondContact CA-O 3.47Å; S186-G200 PolarHBondContact N-O 2.79Å; S186-G200 PolarHBondContact OG-O 3.19Å; S186-G200 VanDerWaalsContact OG-O 3.1Å; H187-G200 PolarHBondContact N-O 3.23Å; H187-G200 PolarHBondContact O-N 2.86Å
201	S	97.4	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.6	-170.6	179.7	0	0	0	0	113.2	F184 N203 C204 T205 V227	F184-S201 WeakPolarHBondContact O-CA 3.43Å; F184-S201 PolarHBondContact O-OG 2.72Å; S201-N203 WeakPolarHBondContact CB-OD1 3.35Å; S201-N203 PolarHBondContact O-N 2.8Å; S201-N203 VanDerWaalsContact OG-CG 3.25Å; S201-N203 PolarHBondContact OG-N 3.48Å; S201-N203 PolarHBondContact OG-OD1 2.57Å; S201-C204 PolarHBondContact O-N 2.98Å; S201-T205 PolarHBondContact N-O 2.78Å; S201-V227 PolarHBondContact O-N 2.85Å
202	T	96.8	Very high	96.4	Very high	40 Å²	40	28.4 Å²	28.4	25%	0.245	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.4	175.5	51.6	0	0	0	0	114	F184 C204	F184-T202 HydrophobicContact CD2-CG2 3.89Å; F184-T202 HydrophobicContact CE1-CG2 4.19Å; F184-T202 HydrophobicContact CE2-CG2 3.37Å; F184-T202 HydrophobicContact CG-CG2 4.48Å; F184-T202 HydrophobicContact CZ-CG2 3.55Å; F184-T202 PolarHBondContact N-OG1 2.84Å; F184-T202 VanDerWaalsContact N-OG1 3.09Å; F184-T202 PolarHBondContact O-N 3.01Å; F184-T202 PolarHBondContact O-OG1 2.81Å; T202-C204 PolarHBondContact O-N 3.19Å
203	N	95.7	Very high	96.3	Very high	39 Å²	39	29.7 Å²	29.7	21%	0.209	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	16.9	170.1	67.3	2.6	0	0	0	113.1	S181 S201 T205	S181-N203 PolarHBondContact O-ND2 2.95Å; S201-N203 WeakPolarHBondContact CB-OD1 3.35Å; S201-N203 PolarHBondContact O-N 2.8Å; S201-N203 VanDerWaalsContact OG-CG 3.25Å; S201-N203 PolarHBondContact OG-N 3.48Å; S201-N203 PolarHBondContact OG-OD1 2.57Å; N203-T205 VanDerWaalsContact CG-OG1 3.31Å; N203-T205 PolarHBondContact ND2-OG1 3.23Å; N203-T205 WeakPolarHBondContact O-CG2 3.37Å; N203-T205 PolarHBondContact O-N 3.33Å; N203-T205 WeakPolarHBondContact OD1-CB 3.23Å; N203-T205 WeakPolarHBondContact OD1-CG2 3.24Å; N203-T205 PolarHBondContact OD1-N 2.9Å; N203-T205 PolarHBondContact OD1-OG1 2.86Å
204	C	96.8	Very high	96.3	Very high	34 Å²	34	30.4 Å²	30.4	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	68.9	6.4	-178.7	-43.5	0	0	0	0	115.5	S201 T202 H223 G225	S201-C204 PolarHBondContact O-N 2.98Å; T202-C204 PolarHBondContact O-N 3.19Å; C204-H223 WeakPolarHBondContact CB-O 3.39Å; C204-G225 WeakPolarHBondContact CA-O 3.35Å; C204-G225 WeakPolarHBondContact CB-O 3.33Å; C204-G225 VanDerWaalsContact SG-CA 3.58Å; C204-G225 PolarHBondContact SG-O 3.1Å
205	T	97	Very high	96.3	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.049	16%	0.161	C	C	.	.			trans	-96.9	150.6	-177.1	72.1	0	0	0	0	112.5	S201 N203 H219 Y220 D221	S201-T205 PolarHBondContact N-O 2.78Å; N203-T205 VanDerWaalsContact CG-OG1 3.31Å; N203-T205 PolarHBondContact ND2-OG1 3.23Å; N203-T205 WeakPolarHBondContact O-CG2 3.37Å; N203-T205 PolarHBondContact O-N 3.33Å; N203-T205 WeakPolarHBondContact OD1-CB 3.23Å; N203-T205 WeakPolarHBondContact OD1-CG2 3.24Å; N203-T205 PolarHBondContact OD1-N 2.9Å; N203-T205 PolarHBondContact OD1-OG1 2.86Å; T205-H219 WeakPolarHBondContact CB-NE2 3.41Å; T205-H219 WeakPolarHBondContact CG2-NE2 3.43Å; T205-Y220 WeakPolarHBondContact CA-O 3.19Å; T205-D221 WeakPolarHBondContact CG2-OD1 3.27Å
206	V	97.4	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.4	165.4	-178.1	0	0	0	0	107.9	S199 Y220 V227 V230 L239 F251	S199-V206 WeakPolarHBondContact O-CA 3.42Å; V206-Y220 HydrophobicContact CB-CD2 4.37Å; V206-Y220 HydrophobicContact CG1-CD2 4.37Å; V206-Y220 PolarHBondContact N-O 2.9Å; V206-Y220 WeakPolarHBondContact O-CB 3.37Å; V206-Y220 WeakPolarHBondContact O-CD2 3.25Å; V206-Y220 PolarHBondContact O-N 3.29Å; V206-V227 HydrophobicContact CG2-CG1 4.17Å; V206-V227 HydrophobicContact CG2-CG2 3.86Å; V206-V230 HydrophobicContact CG1-CG1 4.07Å; V206-V230 HydrophobicContact CG2-CG1 4.49Å; V206-L239 HydrophobicContact CG1-CD2 3.51Å; V206-F251 HydrophobicContact CB-CE2 4.47Å; V206-F251 HydrophobicContact CG1-CE2 4.48Å; V206-F251 HydrophobicContact CG2-CE2 4.22Å; V206-F251 HydrophobicContact CG2-CZ 4.35Å
207	K	96.9	Very high	96.2	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.043	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.2	-177.2	-70.6	176.4	-173	173.8	0	110.8	E180 A198 S199 W209 L216 Q218	E180-K207 WeakPolarHBondContact OE2-CD 3.33Å; E180-K207 IonicContact OE2-NZ 3.24Å; E180-K207 PolarHBondContact OE2-NZ 2.77Å; A198-K207 CarbonylContact C-O 3.48Å; A198-K207 VanDerWaalsContact CA-O 3.24Å; A198-K207 WeakPolarHBondContact CA-O 3.38Å; S199-K207 PolarHBondContact N-O 2.82Å; S199-K207 PolarHBondContact O-N 2.87Å; K207-W209 HydrophobicContact CB-CZ2 4.3Å; K207-W209 HydrophobicContact CD-CH2 4.47Å; K207-W209 HydrophobicContact CD-CZ2 3.63Å; K207-L216 HydrophobicContact CB-CD1 3.66Å; K207-L216 HydrophobicContact CD-CD1 3.93Å; K207-L216 HydrophobicContact CG-CD1 3.85Å; K207-Q218 WeakPolarHBondContact CA-O 3.17Å
208	L	97.1	Very high	96.1	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130	172.3	-169.9	75.3	0	0	0	109.1	C196 A198 L217 Q218 L253	C196-L208 HydrophobicContact CB-CD1 4.45Å; C196-L208 HydrophobicContact CB-CG 4.44Å; A198-L208 HydrophobicContact CB-CD1 4.21Å; L208-L217 HydrophobicContact CB-CB 4.46Å; L208-L217 HydrophobicContact CD2-CB 4.3Å; L208-L217 HydrophobicContact CD2-CD1 4.17Å; L208-L217 HydrophobicContact CG-CB 4.48Å; L208-L217 HydrophobicContact CG-CD1 4.41Å; L208-L217 WeakPolarHBondContact O-CB 3.33Å; L208-L217 PolarHBondContact O-N 3.1Å; L208-Q218 HydrophobicContact CB-CB 3.99Å; L208-Q218 HydrophobicContact CD2-CG 4.43Å; L208-Q218 PolarHBondContact N-O 3.26Å; L208-Q218 PolarHBondContact O-N 3.21Å; L208-L253 HydrophobicContact CD2-CD2 4.28Å
209	W	97.1	Very high	96	Very high	22 Å²	22	40.8 Å²	40.8	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.1	-173.6	-58.2	88.8	0	0	0	111.2	F178 E180 C196 F197 S199 K207 R215 L216	F178-W209 HydrophobicContact CD1-CD2 4.36Å; F178-W209 AromaticContact CD1-CE3 3.79Å; F178-W209 HydrophobicContact CD1-CE3 3.79Å; F178-W209 HydrophobicContact CD1-CZ3 4.29Å; F178-W209 HydrophobicContact CE1-CE3 4.38Å; E180-W209 WeakPolarHBondContact OE1-CZ2 3.32Å; E180-W209 PolarHBondContact OE1-NE1 2.91Å; C196-W209 CarbonylContact C-O 3.55Å; C196-W209 WeakPolarHBondContact CA-O 3.36Å; C196-W209 WeakPolarHBondContact CB-O 3.19Å; F197-W209 HydrophobicContact CD1-CB 4.08Å; F197-W209 HydrophobicContact CD2-CB 4.35Å; F197-W209 AromaticContact CD2-CD1 4Å; F197-W209 HydrophobicContact CD2-CG 4.48Å; F197-W209 HydrophobicContact CE1-CB 3.57Å; F197-W209 HydrophobicContact CE1-CG 4.29Å; F197-W209 HydrophobicContact CE2-CB 3.85Å; F197-W209 AromaticContact CE2-CD1 3.41Å; F197-W209 VanDerWaalsContact CE2-CD1 3.41Å; F197-W209 AromaticContact CE2-CG 3.75Å; F197-W209 HydrophobicContact CE2-CG 3.75Å; F197-W209 HydrophobicContact CG-CB 4.46Å; F197-W209 HydrophobicContact CZ-CB 3.44Å; F197-W209 VanDerWaalsContact CZ-CB 3.44Å; F197-W209 AromaticContact CZ-CD1 3.82Å; F197-W209 AromaticContact CZ-CG 3.65Å; F197-W209 HydrophobicContact CZ-CG 3.65Å; F197-W209 PolarHBondContact N-O 2.86Å; F197-W209 PolarHBondContact O-N 2.76Å; S199-W209 PolarHBondContact OG-NE1 3.29Å; K207-W209 HydrophobicContact CB-CZ2 4.3Å; K207-W209 HydrophobicContact CD-CH2 4.47Å; K207-W209 HydrophobicContact CD-CZ2 3.63Å; W209-R215 WeakPolarHBondContact CA-O 3.26Å; W209-L216 HydrophobicContact CD2-CD1 3.97Å; W209-L216 HydrophobicContact CE3-CB 4.01Å; W209-L216 HydrophobicContact CE3-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.42Å; W209-L216 HydrophobicContact CH2-CD1 4.12Å; W209-L216 HydrophobicContact CZ2-CD1 3.96Å; W209-L216 HydrophobicContact CZ3-CB 3.87Å; W209-L216 HydrophobicContact CZ3-CD1 4.19Å
210	D	96.4	Very high	95.9	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.112	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.6	172.1	-165.9	-47.1	0	0	0	110	R212 M213 N214 R215 L217	D210-R212 WeakPolarHBondContact OD1-CA 3.21Å; D210-R212 WeakPolarHBondContact OD1-CB 3.48Å; D210-R212 PolarHBondContact OD1-N 3.06Å; D210-M213 HydrophobicContact CB-CB 4.14Å; D210-M213 PolarHBondContact OD1-N 3.27Å; D210-N214 VanDerWaalsContact O-CA 3.24Å; D210-N214 WeakPolarHBondContact O-CA 3.11Å; D210-N214 PolarHBondContact O-N 3.27Å; D210-R215 HydrophobicContact CB-CG 4.23Å; D210-R215 PolarHBondContact N-O 2.95Å; D210-R215 PolarHBondContact O-N 3.28Å; D210-L217 HydrophobicContact CB-CD1 3.8Å; D210-L217 HydrophobicContact CB-CD2 3.84Å; D210-L217 HydrophobicContact CB-CG 3.71Å
211	L	95.3	Very high	95.8	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.099	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-31	178.8	-72.1	162.4	0	0	0	113.1	L166 F178 F190 G194 N195 F197 N214	L166-L211 HydrophobicContact CD1-CD2 3.74Å; L166-L211 HydrophobicContact CD2-CD2 3.83Å; L166-L211 HydrophobicContact CG-CD2 4.37Å; F178-L211 HydrophobicContact CZ-CD2 4.47Å; F190-L211 HydrophobicContact CD1-CD1 3.92Å; F190-L211 HydrophobicContact CE1-CD1 3.59Å; G194-L211 VanDerWaalsContact O-CD1 3.26Å; G194-L211 WeakPolarHBondContact O-CD1 3.47Å; N195-L211 WeakPolarHBondContact O-CB 3.34Å; N195-L211 PolarHBondContact O-N 2.58Å; F197-L211 HydrophobicContact CD1-CD1 4.28Å; F197-L211 HydrophobicContact CD1-CD2 3.48Å; F197-L211 VanDerWaalsContact CD1-CD2 3.48Å; F197-L211 HydrophobicContact CD1-CG 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.57Å; F197-L211 HydrophobicContact CE1-CG 4.17Å; L211-N214 PolarHBondContact O-OD1 2.77Å
212	R	93.3	Very high	95.4	Very high	172 Å²	172	48.5 Å²	48.5	65%	0.649	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-41.9	-178.5	-175.9	-177.8	61	79.3	-2.8	111	D210	D210-R212 WeakPolarHBondContact OD1-CA 3.21Å; D210-R212 WeakPolarHBondContact OD1-CB 3.48Å; D210-R212 PolarHBondContact OD1-N 3.06Å
213	M	94.4	Very high	95.4	Very high	80 Å²	80	47.2 Å²	47.2	39%	0.394	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7	179.6	-63.1	-160.6	-175.9	0	0	113.5	D210 R215	D210-M213 HydrophobicContact CB-CB 4.14Å; D210-M213 PolarHBondContact OD1-N 3.27Å; M213-R215 VanDerWaalsContact C-N 3.28Å; M213-R215 HydrophobicContact CB-CG 3.85Å; M213-R215 PolarHBondContact O-N 2.97Å; M213-R215 PolarHBondContact SD-NE 3.2Å; M213-R215 PolarHBondContact SD-NH2 3.37Å; M213-R215 VanDerWaalsContact SD-NH2 3.41Å
214	N	94.1	Very high	95.4	Very high	63 Å²	63	51.5 Å²	51.5	34%	0.337	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	44	-177.2	-66.1	-44.1	0	0	0	113.4	F178 D210 L211	F178-N214 HydrophobicContact CE1-CB 4.22Å; D210-N214 VanDerWaalsContact O-CA 3.24Å; D210-N214 WeakPolarHBondContact O-CA 3.11Å; D210-N214 PolarHBondContact O-N 3.27Å; L211-N214 PolarHBondContact O-OD1 2.77Å
215	R	94.2	Very high	95.4	Very high	87 Å²	87	50.2 Å²	50.2	33%	0.328	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.1	-174.7	73.7	-178.4	-174.4	170.3	2.4	112.6	W209 D210 M213 L217	W209-R215 WeakPolarHBondContact CA-O 3.26Å; D210-R215 HydrophobicContact CB-CG 4.23Å; D210-R215 PolarHBondContact N-O 2.95Å; D210-R215 PolarHBondContact O-N 3.28Å; M213-R215 VanDerWaalsContact C-N 3.28Å; M213-R215 HydrophobicContact CB-CG 3.85Å; M213-R215 PolarHBondContact O-N 2.97Å; M213-R215 PolarHBondContact SD-NE 3.2Å; M213-R215 PolarHBondContact SD-NH2 3.37Å; M213-R215 VanDerWaalsContact SD-NH2 3.41Å; R215-L217 PolarHBondContact O-N 3.45Å
216	L	95.6	Very high	95.4	Very high	73 Å²	73	51.4 Å²	51.4	38%	0.382	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.2	170.5	-173.6	66.8	0	0	0	109.9	K207 W209 Q218 H219	K207-L216 HydrophobicContact CB-CD1 3.66Å; K207-L216 HydrophobicContact CD-CD1 3.93Å; K207-L216 HydrophobicContact CG-CD1 3.85Å; W209-L216 HydrophobicContact CD2-CD1 3.97Å; W209-L216 HydrophobicContact CE3-CB 4.01Å; W209-L216 HydrophobicContact CE3-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.42Å; W209-L216 HydrophobicContact CH2-CD1 4.12Å; W209-L216 HydrophobicContact CZ2-CD1 3.96Å; W209-L216 HydrophobicContact CZ3-CB 3.87Å; W209-L216 HydrophobicContact CZ3-CD1 4.19Å; L216-Q218 WeakPolarHBondContact CD1-O 3.05Å; L216-H219 HydrophobicContact CD2-CB 4.24Å
217	L	94.8	Very high	95.4	Very high	50 Å²	50	51.4 Å²	51.4	26%	0.262	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-47.7	174.8	-68.8	175.6	0	0	0	111.8	C196 L208 D210 R215 I334	C196-L217 HydrophobicContact CB-CD1 4.06Å; L208-L217 HydrophobicContact CB-CB 4.46Å; L208-L217 HydrophobicContact CD2-CB 4.3Å; L208-L217 HydrophobicContact CD2-CD1 4.17Å; L208-L217 HydrophobicContact CG-CB 4.48Å; L208-L217 HydrophobicContact CG-CD1 4.41Å; L208-L217 WeakPolarHBondContact O-CB 3.33Å; L208-L217 PolarHBondContact O-N 3.1Å; D210-L217 HydrophobicContact CB-CD1 3.8Å; D210-L217 HydrophobicContact CB-CD2 3.84Å; D210-L217 HydrophobicContact CB-CG 3.71Å; R215-L217 PolarHBondContact O-N 3.45Å; L217-I334 HydrophobicContact CD2-CD1 3.79Å
218	Q	95.6	Very high	95.5	Very high	44 Å²	44	52.9 Å²	52.9	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.7	-175.4	-63.3	174.8	-12.2	0	0	110.3	K207 L208 L216 Y220 L253	K207-Q218 WeakPolarHBondContact CA-O 3.17Å; L208-Q218 HydrophobicContact CB-CB 3.99Å; L208-Q218 HydrophobicContact CD2-CG 4.43Å; L208-Q218 PolarHBondContact N-O 3.26Å; L208-Q218 PolarHBondContact O-N 3.21Å; L216-Q218 WeakPolarHBondContact CD1-O 3.05Å; Q218-Y220 HydrophobicContact CB-CE2 3.82Å; Q218-Y220 VanDerWaalsContact CD-OH 3.3Å; Q218-Y220 PolarHBondContact OE1-OH 3.11Å; Q218-L253 PolarHBondContact NE2-O 3.46Å
219	H	95	Very high	95.5	Very high	86 Å²	86	53.3 Å²	53.3	40%	0.398	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.2	179.8	-177.3	-146.1	0	0	0	109.8	T205 L216 D221	T205-H219 WeakPolarHBondContact CB-NE2 3.41Å; T205-H219 WeakPolarHBondContact CG2-NE2 3.43Å; L216-H219 HydrophobicContact CD2-CB 4.24Å; H219-D221 IonicContact CE1-OD1 3.96Å; H219-D221 PolarHBondContact CE1-OD1 3.25Å; H219-D221 IonicContact CE1-OD2 2.71Å; H219-D221 PolarHBondContact CE1-OD2 3.5Å; H219-D221 VanDerWaalsContact CE1-OD2 3.24Å; H219-D221 IonicContact ND1-OD2 3.18Å; H219-D221 IonicContact NE2-OD1 3.08Å; H219-D221 PolarHBondContact NE2-OD1 3.46Å; H219-D221 IonicContact NE2-OD2 2.64Å
220	Y	95.9	Very high	95.5	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.4	-177.5	-58.3	-78.9	0	0	0	111	T205 V206 Q218 A222 F251 D252 G256	T205-Y220 WeakPolarHBondContact CA-O 3.19Å; V206-Y220 HydrophobicContact CB-CD2 4.37Å; V206-Y220 HydrophobicContact CG1-CD2 4.37Å; V206-Y220 PolarHBondContact N-O 2.9Å; V206-Y220 WeakPolarHBondContact O-CB 3.37Å; V206-Y220 WeakPolarHBondContact O-CD2 3.25Å; V206-Y220 PolarHBondContact O-N 3.29Å; Q218-Y220 HydrophobicContact CB-CE2 3.82Å; Q218-Y220 VanDerWaalsContact CD-OH 3.3Å; Q218-Y220 PolarHBondContact OE1-OH 3.11Å; Y220-A222 VanDerWaalsContact C-N 3.31Å; Y220-A222 PolarHBondContact O-N 3.03Å; Y220-F251 AromaticContact CD1-CD1 3.6Å; Y220-F251 HydrophobicContact CD1-CD1 3.6Å; Y220-F251 AromaticContact CD1-CE1 3.9Å; Y220-F251 HydrophobicContact CD1-CE1 3.9Å; Y220-F251 HydrophobicContact CD1-CG 4.45Å; Y220-F251 HydrophobicContact CD2-CD1 4.38Å; Y220-F251 HydrophobicContact CE1-CB 4.43Å; Y220-F251 AromaticContact CE1-CD1 3.86Å; Y220-F251 HydrophobicContact CE1-CD1 3.86Å; Y220-F251 HydrophobicContact CE1-CG 4.43Å; Y220-F251 AromaticContact CG-CD1 3.86Å; Y220-F251 HydrophobicContact CG-CD1 3.86Å; Y220-F251 AromaticContact CG-CE1 3.89Å; Y220-F251 HydrophobicContact CG-CE1 3.89Å; Y220-D252 PolarHBondContact OH-O 3.32Å; Y220-G256 WeakPolarHBondContact CE1-O 3.38Å; Y220-G256 WeakPolarHBondContact OH-CA 3.32Å
221	D	94.4	Very high	95.6	Very high	119 Å²	119	51.6 Å²	51.6	64%	0.636	26%	0.26	S	S	*	.			trans	-92.5	58.4	171.7	-65.9	-47.5	0	0	0	110.4	T205 H219	T205-D221 WeakPolarHBondContact CG2-OD1 3.27Å; H219-D221 IonicContact CE1-OD1 3.96Å; H219-D221 PolarHBondContact CE1-OD1 3.25Å; H219-D221 IonicContact CE1-OD2 2.71Å; H219-D221 PolarHBondContact CE1-OD2 3.5Å; H219-D221 VanDerWaalsContact CE1-OD2 3.24Å; H219-D221 IonicContact ND1-OD2 3.18Å; H219-D221 IonicContact NE2-OD1 3.08Å; H219-D221 PolarHBondContact NE2-OD1 3.46Å; H219-D221 IonicContact NE2-OD2 2.64Å
222	A	89.4	Confident	95.7	Very high	28 Å²	28	51.3 Å²	51.3	23%	0.231	26%	0.259	C	S	.	.			trans	-102.1	-22.8	-168.4	0	0	0	0	0	114.8	Y220 K249 F251	Y220-A222 VanDerWaalsContact C-N 3.31Å; Y220-A222 PolarHBondContact O-N 3.03Å; A222-K249 HydrophobicContact CB-CD 3.78Å; A222-K249 WeakPolarHBondContact O-CE 3.43Å; A222-K249 PolarHBondContact O-NZ 3.34Å; A222-K249 VanDerWaalsContact O-NZ 3.14Å; A222-F251 HydrophobicContact CB-CE1 3.64Å; A222-F251 HydrophobicContact CB-CZ 3.85Å
223	H	96.2	Very high	95.9	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.06	23%	0.228	C	C	.	.			trans	-97.7	150.7	-178	-79.8	-69.4	0	0	0	111.9	C204 V227 S241 S243 D245 T247 K249	C204-H223 WeakPolarHBondContact CB-O 3.39Å; H223-V227 HydrophobicContact CB-CG2 4.26Å; H223-S241 WeakPolarHBondContact NE2-CB 3.48Å; H223-S241 PolarHBondContact NE2-OG 3.03Å; H223-S243 WeakPolarHBondContact CE1-CB 3.3Å; H223-S243 WeakPolarHBondContact ND1-CB 3.25Å; H223-S243 PolarHBondContact ND1-OG 2.61Å; H223-D245 WeakPolarHBondContact CA-OD2 3.24Å; H223-D245 VanDerWaalsContact CB-OD2 3.32Å; H223-D245 WeakPolarHBondContact CB-OD2 3.2Å; H223-D245 IonicContact CE1-OD1 3.87Å; H223-D245 IonicContact CE1-OD2 3.13Å; H223-D245 IonicContact CG-OD2 3.54Å; H223-D245 IonicContact ND1-OD1 2.8Å; H223-D245 PolarHBondContact ND1-OD1 3.03Å; H223-D245 IonicContact ND1-OD2 3.85Å; H223-D245 PolarHBondContact ND1-OD2 3.22Å; H223-T247 PolarHBondContact CE1-OG1 3.3Å; H223-T247 PolarHBondContact ND1-OG1 2.95Å; H223-K249 VanDerWaalsContact CE1-CD 3.46Å; H223-K249 WeakPolarHBondContact CE1-CD 3.44Å; H223-K249 VanDerWaalsContact CE1-CG 3.49Å; H223-K249 WeakPolarHBondContact CE1-CG 3.3Å; H223-K249 WeakPolarHBondContact ND1-CE 3.25Å
224	T	96.6	Very high	95.9	Very high	129 Å²	129	42 Å²	42	79%	0.791	23%	0.227	S	C	*	.	S	Bend	trans	-97.9	-2	175.5	56.6	0	0	0	0	112.6	D245	T224-D245 PolarHBondContact N-OD2 3.33Å; T224-D245 VanDerWaalsContact OG1-CB 3.27Å; T224-D245 WeakPolarHBondContact OG1-CB 3.46Å
225	G	97	Very high	95.8	Very high	8 Å²	8	41.3 Å²	41.3	8%	0.082	22%	0.223	C	C	.	.	S	Bend	trans	-138.5	168.5	177.3	0	0	0	0	0	112.3	C204 V227 S243	C204-G225 WeakPolarHBondContact CA-O 3.35Å; C204-G225 WeakPolarHBondContact CB-O 3.33Å; C204-G225 VanDerWaalsContact SG-CA 3.58Å; C204-G225 PolarHBondContact SG-O 3.1Å; G225-V227 PolarHBondContact O-N 3.23Å; G225-S243 PolarHBondContact O-OG 3.2Å; G225-S243 VanDerWaalsContact O-OG 3.06Å
226	P	97.3	Very high	95.8	Very high	32 Å²	32	37.5 Å²	37.5	21%	0.208	21%	0.211	C	C	.	.			trans	-50.2	132.4	176	-33.9	39.5	0	0	0	113.6	S243 E244	P226-S243 WeakPolarHBondContact O-CA 3.38Å; P226-S243 PolarHBondContact O-OG 3.07Å; P226-E244 HydrophobicContact CB-CB 4.28Å; P226-E244 WeakPolarHBondContact CB-OE2 3.22Å; P226-E244 WeakPolarHBondContact CD-OE2 3.39Å; P226-E244 HydrophobicContact CG-CB 4.49Å; P226-E244 WeakPolarHBondContact CG-OE2 3.33Å; P226-E244 PolarHBondContact O-N 3.03Å
227	V	97.9	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.3	173.6	-176.5	0	0	0	0	107.9	S186 S201 V206 H223 G225 K229 V230 A242	S186-V227 WeakPolarHBondContact CB-O 3.49Å; S186-V227 PolarHBondContact OG-O 3.07Å; S201-V227 PolarHBondContact O-N 2.85Å; V206-V227 HydrophobicContact CG2-CG1 4.17Å; V206-V227 HydrophobicContact CG2-CG2 3.86Å; H223-V227 HydrophobicContact CB-CG2 4.26Å; G225-V227 PolarHBondContact O-N 3.23Å; V227-K229 WeakPolarHBondContact CG1-O 3.16Å; V227-V230 HydrophobicContact CG1-CG1 4.06Å; V227-A242 CarbonylContact C-O 3.56Å; V227-A242 WeakPolarHBondContact CG1-O 3.39Å
228	H	97.6	Very high	95.7	Very high	42 Å²	42	36.3 Å²	36.3	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-27.5	-178.2	-66	-31.5	0	0	0	113.7	H187 A242 E244 I269	H187-H228 WeakPolarHBondContact CB-O 3.36Å; H228-A242 PolarHBondContact N-O 3.41Å; H228-E244 IonicContact CE1-OE2 3.02Å; H228-E244 IonicContact NE2-OE2 3.77Å; H228-I269 PolarHBondContact CD2-O 2.89Å
229	K	97.8	Very high	95.8	Very high	17 Å²	17	34.2 Å²	34.2	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.3	179	-65.6	-80.2	155.3	-103.5	0	111	W103 H187 V227 S241 A242 T270 A272	W103-K229 HydrophobicContact CH2-CD 3.84Å; W103-K229 HydrophobicContact CZ3-CD 4.39Å; H187-K229 PolarHBondContact CD2-NZ 3.21Å; H187-K229 VanDerWaalsContact CD2-NZ 3.32Å; V227-K229 WeakPolarHBondContact CG1-O 3.16Å; K229-S241 WeakPolarHBondContact O-CA 2.95Å; K229-A242 HydrophobicContact CB-CB 4.09Å; K229-A242 PolarHBondContact N-O 3.48Å; K229-A242 PolarHBondContact O-N 3.26Å; K229-T270 WeakPolarHBondContact CE-O 3.4Å; K229-T270 WeakPolarHBondContact CG-O 3.29Å; K229-A272 HydrophobicContact CB-CB 4.26Å
230	V	97.9	Very high	95.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.2	164.3	-70.7	0	0	0	0	108.7	H187 D189 A198 V206 V227 L239 L240	H187-V230 PolarHBondContact CE1-O 3.14Å; H187-V230 PolarHBondContact ND1-N 3.09Å; H187-V230 VanDerWaalsContact ND1-N 3.17Å; H187-V230 PolarHBondContact ND1-O 3.4Å; H187-V230 VanDerWaalsContact ND1-O 3.17Å; D189-V230 HydrophobicContact CB-CG2 4.23Å; A198-V230 HydrophobicContact CB-CB 4.4Å; A198-V230 HydrophobicContact CB-CG2 4.25Å; V206-V230 HydrophobicContact CG1-CG1 4.07Å; V206-V230 HydrophobicContact CG2-CG1 4.49Å; V227-V230 HydrophobicContact CG1-CG1 4.06Å; V230-L239 HydrophobicContact CB-CD1 4.35Å; V230-L240 CarbonylContact C-O 3.51Å; V230-L240 VanDerWaalsContact CA-O 3.25Å; V230-L240 WeakPolarHBondContact CA-O 3.38Å
231	A	97.8	Very high	96	Very high	7 Å²	7	29.5 Å²	29.5	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	122.8	177	0	0	0	0	0	110.1	D189 L240 F274	D189-A231 WeakPolarHBondContact OD2-CA 3.2Å; A231-L240 HydrophobicContact CB-CB 4.41Å; A231-L240 PolarHBondContact N-O 3.19Å; A231-L240 PolarHBondContact O-N 3.32Å; A231-F274 HydrophobicContact CB-CD2 3.89Å; A231-F274 HydrophobicContact CB-CE2 4.27Å; A231-F274 VanDerWaalsContact O-CE2 3.31Å; A231-F274 WeakPolarHBondContact O-CE2 3.27Å
232	C	97	Very high	96.2	Very high	13 Å²	13	23.8 Å²	23.8	9%	0.088	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.4	172.5	-67.4	0	0	0	0	109.3	D189 F190	D189-C232 PolarHBondContact OD2-N 3.28Å; F190-C232 WeakPolarHBondContact O-CB 3.1Å
233	H	96.7	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.			trans	-71.8	143.5	173.9	-174.9	-85.8	0	0	0	110.1	N235 G236 V238 F274 G278 F297 N298	H233-N235 WeakPolarHBondContact ND1-CB 3.29Å; H233-N235 PolarHBondContact ND1-N 3.12Å; H233-N235 PolarHBondContact ND1-ND2 3.36Å; H233-N235 PolarHBondContact ND1-OD1 2.96Å; H233-N235 PolarHBondContact O-N 3.11Å; H233-G236 PolarHBondContact O-N 3.04Å; H233-V238 HydrophobicContact CB-CB 3.73Å; H233-V238 HydrophobicContact CB-CG1 4.38Å; H233-V238 VanDerWaalsContact CB-O 3.3Å; H233-V238 WeakPolarHBondContact CB-O 3.44Å; H233-V238 PolarHBondContact N-O 3.08Å; H233-F274 HydrophobicContact CB-CD2 4.13Å; H233-F274 HydrophobicContact CB-CE1 4.48Å; H233-F274 HydrophobicContact CB-CE2 3.89Å; H233-F274 HydrophobicContact CB-CG 4.5Å; H233-F274 HydrophobicContact CB-CZ 4.09Å; H233-F274 AromaticContact CD2-CD1 3.59Å; H233-F274 AromaticContact CD2-CE1 3.59Å; H233-G278 WeakPolarHBondContact NE2-CA 3.42Å; H233-G278 PolarHBondContact NE2-O 2.99Å; H233-F297 AromaticContact CD2-CD2 3.79Å; H233-F297 AromaticContact NE2-CD2 3.99Å; H233-N298 PolarHBondContact CE1-OD1 3.02Å
234	P	94.4	Very high	96.7	Very high	56 Å²	56	26.1 Å²	26.1	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.5	-178.5	-28	34.8	0	0	0	115.3	G236 S275	P234-G236 VanDerWaalsContact C-N 3.26Å; P234-G236 PolarHBondContact O-N 3.46Å; P234-S275 WeakPolarHBondContact CG-O 3.32Å
235	N	92.9	Very high	96.7	Very high	48 Å²	48	21.4 Å²	21.4	26%	0.257	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.1	174.9	77.4	-5.9	0	0	0	114.7	H233 H237	H233-N235 WeakPolarHBondContact ND1-CB 3.29Å; H233-N235 PolarHBondContact ND1-N 3.12Å; H233-N235 PolarHBondContact ND1-ND2 3.36Å; H233-N235 PolarHBondContact ND1-OD1 2.96Å; H233-N235 PolarHBondContact O-N 3.11Å; N235-H237 VanDerWaalsContact C-N 3.32Å; N235-H237 PolarHBondContact O-CD2 2.53Å; N235-H237 PolarHBondContact O-N 3Å; N235-H237 PolarHBondContact OD1-N 2.8Å
236	G	93.7	Very high	96.7	Very high	7 Å²	7	22.8 Å²	22.8	7%	0.072	13%	0.125	C	C	.	.	S	Bend	trans	73.3	13.4	-179.5	0	0	0	0	0	116.2	H191 H233 P234	H191-G236 VanDerWaalsContact NE2-C 3.32Å; H191-G236 WeakPolarHBondContact NE2-CA 3.27Å; H191-G236 PolarHBondContact NE2-O 3.1Å; H233-G236 PolarHBondContact O-N 3.04Å; P234-G236 VanDerWaalsContact C-N 3.26Å; P234-G236 PolarHBondContact O-N 3.46Å
237	H	94.2	Very high	96.7	Very high	95 Å²	95	21.9 Å²	21.9	44%	0.44	12%	0.119	S	C	.	.	S	Bend	trans	-113.5	-14	-179.7	-59.5	-47.6	0	0	0	113.2	N235 L253	N235-H237 VanDerWaalsContact C-N 3.32Å; N235-H237 PolarHBondContact O-CD2 2.53Å; N235-H237 PolarHBondContact O-N 3Å; N235-H237 PolarHBondContact OD1-N 2.8Å; H237-L253 PolarHBondContact O-N 3.4Å
238	V	95.7	Very high	96.7	Very high	4 Å²	4	22 Å²	22	2%	0.024	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.2	-172.2	179.2	0	0	0	0	110.4	H233 I250 F251 F274 F297	H233-V238 HydrophobicContact CB-CB 3.73Å; H233-V238 HydrophobicContact CB-CG1 4.38Å; H233-V238 VanDerWaalsContact CB-O 3.3Å; H233-V238 WeakPolarHBondContact CB-O 3.44Å; H233-V238 PolarHBondContact N-O 3.08Å; V238-I250 HydrophobicContact CG1-CG2 3.38Å; V238-F251 WeakPolarHBondContact CA-O 3.5Å; V238-F274 HydrophobicContact CG1-CZ 4.46Å; V238-F297 HydrophobicContact CB-CD2 4.45Å; V238-F297 HydrophobicContact CG1-CD2 4.09Å; V238-F297 HydrophobicContact CG1-CE2 4.07Å; V238-F297 HydrophobicContact CG2-CB 4.28Å; V238-F297 HydrophobicContact CG2-CD2 4.3Å; V238-F297 HydrophobicContact CG2-CG 4.19Å
239	L	97	Very high	96.7	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	-120.9	133.7	172.5	178.7	68.8	0	0	0	109.8	A198 V206 V230 I250 F251 L253	A198-L239 HydrophobicContact CB-CD1 3.58Å; A198-L239 HydrophobicContact CB-CD2 3.98Å; A198-L239 HydrophobicContact CB-CG 4.47Å; V206-L239 HydrophobicContact CG1-CD2 3.51Å; V230-L239 HydrophobicContact CB-CD1 4.35Å; L239-I250 CarbonylContact O-C 3.55Å; L239-I250 WeakPolarHBondContact O-CA 3.36Å; L239-F251 HydrophobicContact CB-CB 4.32Å; L239-F251 HydrophobicContact CB-CD2 4.38Å; L239-F251 HydrophobicContact CD2-CD2 4.29Å; L239-F251 HydrophobicContact CG-CD2 4.33Å; L239-F251 PolarHBondContact N-O 3.45Å; L239-F251 PolarHBondContact O-N 3.39Å; L239-L253 HydrophobicContact CB-CD1 4.25Å; L239-L253 HydrophobicContact CB-CD2 3.75Å; L239-L253 HydrophobicContact CB-CG 4.03Å; L239-L253 HydrophobicContact CD2-CD2 4.18Å
240	L	97.5	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.3	173.5	176.8	66.6	0	0	0	109.4	V230 A231 L248 K249 I250 A272 F274 F281	V230-L240 CarbonylContact C-O 3.51Å; V230-L240 VanDerWaalsContact CA-O 3.25Å; V230-L240 WeakPolarHBondContact CA-O 3.38Å; A231-L240 HydrophobicContact CB-CB 4.41Å; A231-L240 PolarHBondContact N-O 3.19Å; A231-L240 PolarHBondContact O-N 3.32Å; L240-L248 HydrophobicContact CD1-CB 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.27Å; L240-K249 CarbonylContact C-O 3.53Å; L240-K249 WeakPolarHBondContact CA-O 3.37Å; L240-I250 HydrophobicContact CD1-CG1 3.86Å; L240-A272 HydrophobicContact CD2-CB 3.9Å; L240-A272 HydrophobicContact CG-CB 4.41Å; L240-F274 HydrophobicContact CB-CD2 4.44Å; L240-F274 HydrophobicContact CB-CE2 3.42Å; L240-F274 VanDerWaalsContact CB-CE2 3.42Å; L240-F274 HydrophobicContact CB-CZ 3.6Å; L240-F274 HydrophobicContact CD2-CE2 4.17Å; L240-F274 HydrophobicContact CD2-CZ 4.1Å; L240-F274 HydrophobicContact CG-CE2 4.45Å; L240-F274 HydrophobicContact CG-CZ 4.42Å; L240-F281 HydrophobicContact CD2-CB 4.25Å; L240-F281 HydrophobicContact CD2-CD2 3.79Å; L240-F281 HydrophobicContact CD2-CE2 4.46Å; L240-F281 HydrophobicContact CD2-CG 4.16Å
241	S	97.9	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.9	169.4	59.5	0	0	0	0	111.2	H223 K229 L248 K249 F251	H223-S241 WeakPolarHBondContact NE2-CB 3.48Å; H223-S241 PolarHBondContact NE2-OG 3.03Å; K229-S241 WeakPolarHBondContact O-CA 2.95Å; S241-L248 CarbonylContact O-C 3.6Å; S241-L248 VanDerWaalsContact O-CA 3.25Å; S241-L248 WeakPolarHBondContact O-CA 3.27Å; S241-K249 PolarHBondContact N-O 3.42Å; S241-K249 PolarHBondContact O-N 3.2Å; S241-K249 PolarHBondContact OG-O 3.1Å; S241-F251 VanDerWaalsContact OG-CE2 3.24Å; S241-F251 WeakPolarHBondContact OG-CE2 3.4Å
242	A	97.9	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.2	173.7	0	0	0	0	0	110.2	V227 H228 K229 L248 I269 A272	V227-A242 CarbonylContact C-O 3.56Å; V227-A242 WeakPolarHBondContact CG1-O 3.39Å; H228-A242 PolarHBondContact N-O 3.41Å; K229-A242 HydrophobicContact CB-CB 4.09Å; K229-A242 PolarHBondContact N-O 3.48Å; K229-A242 PolarHBondContact O-N 3.26Å; A242-L248 HydrophobicContact CB-CD2 3.53Å; A242-I269 HydrophobicContact CB-CB 4.04Å; A242-I269 HydrophobicContact CB-CG2 3.73Å; A242-A272 HydrophobicContact CB-CB 3.89Å
243	S	98.2	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	158.8	-167.9	175.1	0	0	0	0	113.1	H223 G225 P226 D245 S246 T247 I269	H223-S243 WeakPolarHBondContact CE1-CB 3.3Å; H223-S243 WeakPolarHBondContact ND1-CB 3.25Å; H223-S243 PolarHBondContact ND1-OG 2.61Å; G225-S243 PolarHBondContact O-OG 3.2Å; G225-S243 VanDerWaalsContact O-OG 3.06Å; P226-S243 WeakPolarHBondContact O-CA 3.38Å; P226-S243 PolarHBondContact O-OG 3.07Å; S243-D245 VanDerWaalsContact CB-OD1 3.27Å; S243-D245 WeakPolarHBondContact CB-OD1 3.43Å; S243-D245 PolarHBondContact O-N 2.86Å; S243-D245 PolarHBondContact OG-N 3.32Å; S243-D245 PolarHBondContact OG-OD1 2.74Å; S243-D245 PolarHBondContact OG-OD2 2.96Å; S243-D245 VanDerWaalsContact OG-OD2 3.13Å; S243-S246 PolarHBondContact O-N 2.92Å; S243-T247 PolarHBondContact N-O 3.46Å; S243-I269 PolarHBondContact O-N 3.32Å
244	E	97.6	Very high	96	Very high	89 Å²	89	26.5 Å²	26.5	42%	0.416	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.6	171	-164.2	161.6	-180	0	0	112.6	P226 H228 S246 P268	P226-E244 HydrophobicContact CB-CB 4.28Å; P226-E244 WeakPolarHBondContact CB-OE2 3.22Å; P226-E244 WeakPolarHBondContact CD-OE2 3.39Å; P226-E244 HydrophobicContact CG-CB 4.49Å; P226-E244 WeakPolarHBondContact CG-OE2 3.33Å; P226-E244 PolarHBondContact O-N 3.03Å; H228-E244 IonicContact CE1-OE2 3.02Å; H228-E244 IonicContact NE2-OE2 3.77Å; E244-S246 PolarHBondContact O-N 3.36Å; E244-P268 HydrophobicContact CB-CB 4.48Å; E244-P268 HydrophobicContact CG-CB 4.02Å; E244-P268 HydrophobicContact CG-CG 3.83Å
245	D	97.1	Very high	95.8	Very high	31 Å²	31	29.4 Å²	29.4	17%	0.166	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	10.3	175.5	66.3	23.2	0	0	0	114.8	H223 T224 S243 T247	H223-D245 WeakPolarHBondContact CA-OD2 3.24Å; H223-D245 VanDerWaalsContact CB-OD2 3.32Å; H223-D245 WeakPolarHBondContact CB-OD2 3.2Å; H223-D245 IonicContact CE1-OD1 3.87Å; H223-D245 IonicContact CE1-OD2 3.13Å; H223-D245 IonicContact CG-OD2 3.54Å; H223-D245 IonicContact ND1-OD1 2.8Å; H223-D245 PolarHBondContact ND1-OD1 3.03Å; H223-D245 IonicContact ND1-OD2 3.85Å; H223-D245 PolarHBondContact ND1-OD2 3.22Å; T224-D245 PolarHBondContact N-OD2 3.33Å; T224-D245 VanDerWaalsContact OG1-CB 3.27Å; T224-D245 WeakPolarHBondContact OG1-CB 3.46Å; S243-D245 VanDerWaalsContact CB-OD1 3.27Å; S243-D245 WeakPolarHBondContact CB-OD1 3.43Å; S243-D245 PolarHBondContact O-N 2.86Å; S243-D245 PolarHBondContact OG-N 3.32Å; S243-D245 PolarHBondContact OG-OD1 2.74Å; S243-D245 PolarHBondContact OG-OD2 2.96Å; S243-D245 VanDerWaalsContact OG-OD2 3.13Å; D245-T247 PolarHBondContact O-N 3.17Å; D245-T247 WeakPolarHBondContact OD1-CA 3.5Å; D245-T247 VanDerWaalsContact OD1-CB 3.32Å; D245-T247 WeakPolarHBondContact OD1-CB 3.49Å; D245-T247 PolarHBondContact OD1-N 2.85Å; D245-T247 PolarHBondContact OD1-OG1 3.17Å
246	S	97	Very high	95.8	Very high	36 Å²	36	28.7 Å²	28.7	25%	0.252	15%	0.154	S	C	.	.	S	Bend	trans	65.7	16.7	-179.3	-43.1	0	0	0	0	114.4	S243 E244 G267	S243-S246 PolarHBondContact O-N 2.92Å; E244-S246 PolarHBondContact O-N 3.36Å; S246-G267 WeakPolarHBondContact CA-O 3.3Å; S246-G267 VanDerWaalsContact CB-O 3.27Å; S246-G267 WeakPolarHBondContact CB-O 3.12Å; S246-G267 WeakPolarHBondContact OG-CA 3.32Å; S246-G267 PolarHBondContact OG-N 3.32Å; S246-G267 PolarHBondContact OG-O 3.34Å; S246-G267 VanDerWaalsContact OG-O 3.1Å
247	T	97.6	Very high	95.8	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.3	177.8	76	0	0	0	0	112.9	H223 S243 D245 T261 L262 Q263	H223-T247 PolarHBondContact CE1-OG1 3.3Å; H223-T247 PolarHBondContact ND1-OG1 2.95Å; S243-T247 PolarHBondContact N-O 3.46Å; D245-T247 PolarHBondContact O-N 3.17Å; D245-T247 WeakPolarHBondContact OD1-CA 3.5Å; D245-T247 VanDerWaalsContact OD1-CB 3.32Å; D245-T247 WeakPolarHBondContact OD1-CB 3.49Å; D245-T247 PolarHBondContact OD1-N 2.85Å; D245-T247 PolarHBondContact OD1-OG1 3.17Å; T247-T261 HydrophobicContact CG2-CG2 4.08Å; T247-L262 WeakPolarHBondContact CA-O 3.4Å; T247-Q263 HydrophobicContact CG2-CG 4.19Å
248	L	97.3	Very high	95.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138	161.3	-63.3	166	0	0	0	108.1	L240 S241 A242 T261 L262 I269 A272 F281 W293	L240-L248 HydrophobicContact CD1-CB 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.27Å; S241-L248 CarbonylContact O-C 3.6Å; S241-L248 VanDerWaalsContact O-CA 3.25Å; S241-L248 WeakPolarHBondContact O-CA 3.27Å; A242-L248 HydrophobicContact CB-CD2 3.53Å; L248-T261 CarbonylContact O-C 3.55Å; L248-T261 WeakPolarHBondContact O-CA 3.32Å; L248-L262 HydrophobicContact CB-CB 4.13Å; L248-L262 HydrophobicContact CB-CD1 4.42Å; L248-L262 HydrophobicContact CD1-CD1 4.47Å; L248-L262 PolarHBondContact N-O 2.8Å; L248-L262 PolarHBondContact O-N 2.93Å; L248-I269 HydrophobicContact CD2-CD1 4.02Å; L248-I269 HydrophobicContact CD2-CG2 3.91Å; L248-I269 HydrophobicContact CG-CD1 3.69Å; L248-A272 HydrophobicContact CD2-CB 4.3Å; L248-F281 HydrophobicContact CD1-CE2 3.92Å; L248-W293 HydrophobicContact CD1-CZ2 4.16Å
249	K	96.8	Very high	95.6	Very high	30 Å²	30	35.1 Å²	35.1	13%	0.13	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.2	171.3	-67.4	176.4	-171.7	-91.1	0	110.4	A222 H223 L240 S241 F251 F260 T261	A222-K249 HydrophobicContact CB-CD 3.78Å; A222-K249 WeakPolarHBondContact O-CE 3.43Å; A222-K249 PolarHBondContact O-NZ 3.34Å; A222-K249 VanDerWaalsContact O-NZ 3.14Å; H223-K249 VanDerWaalsContact CE1-CD 3.46Å; H223-K249 WeakPolarHBondContact CE1-CD 3.44Å; H223-K249 VanDerWaalsContact CE1-CG 3.49Å; H223-K249 WeakPolarHBondContact CE1-CG 3.3Å; H223-K249 WeakPolarHBondContact ND1-CE 3.25Å; L240-K249 CarbonylContact C-O 3.53Å; L240-K249 WeakPolarHBondContact CA-O 3.37Å; S241-K249 PolarHBondContact N-O 3.42Å; S241-K249 PolarHBondContact O-N 3.2Å; S241-K249 PolarHBondContact OG-O 3.1Å; K249-F251 HydrophobicContact CB-CE2 3.98Å; K249-F251 HydrophobicContact CB-CZ 3.81Å; K249-F251 HydrophobicContact CD-CZ 4.47Å; K249-F260 WeakPolarHBondContact CA-O 3.4Å; K249-T261 HydrophobicContact CG-CG2 4.29Å; K249-T261 PolarHBondContact NZ-OG1 3.15Å; K249-T261 VanDerWaalsContact NZ-OG1 3.07Å
250	I	96.2	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.8	177.8	-65.8	160.9	0	0	0	107.2	P4 V238 L239 L240 L259 F260 L262 F297	P4-I250 HydrophobicContact CG-CD1 3.81Å; V238-I250 HydrophobicContact CG1-CG2 3.38Å; L239-I250 CarbonylContact O-C 3.55Å; L239-I250 WeakPolarHBondContact O-CA 3.36Å; L240-I250 HydrophobicContact CD1-CG1 3.86Å; I250-L259 HydrophobicContact CG2-CB 4.39Å; I250-L259 HydrophobicContact CG2-CD1 4.38Å; I250-L259 PolarHBondContact O-N 3.01Å; I250-F260 HydrophobicContact CB-CB 4.21Å; I250-F260 HydrophobicContact CB-CD2 4.19Å; I250-F260 HydrophobicContact CD1-CB 4.05Å; I250-F260 HydrophobicContact CD1-CD2 3.98Å; I250-F260 HydrophobicContact CD1-CG 4.44Å; I250-F260 HydrophobicContact CG2-CD2 4.22Å; I250-F260 PolarHBondContact N-O 2.93Å; I250-F260 PolarHBondContact O-N 2.99Å; I250-L262 HydrophobicContact CD1-CD1 3.74Å; I250-L262 HydrophobicContact CD1-CG 4.2Å; I250-F297 HydrophobicContact CD1-CE1 4.48Å; I250-F297 HydrophobicContact CD1-CZ 3.69Å; I250-F297 HydrophobicContact CG1-CZ 4.49Å; I250-F297 HydrophobicContact CG2-CZ 4.15Å
251	F	96	Very high	95.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144	179.6	-51.6	-89.1	0	0	0	110.8	V206 Y220 A222 V238 L239 S241 K249 R257 P258	V206-F251 HydrophobicContact CB-CE2 4.47Å; V206-F251 HydrophobicContact CG1-CE2 4.48Å; V206-F251 HydrophobicContact CG2-CE2 4.22Å; V206-F251 HydrophobicContact CG2-CZ 4.35Å; Y220-F251 AromaticContact CD1-CD1 3.6Å; Y220-F251 HydrophobicContact CD1-CD1 3.6Å; Y220-F251 AromaticContact CD1-CE1 3.9Å; Y220-F251 HydrophobicContact CD1-CE1 3.9Å; Y220-F251 HydrophobicContact CD1-CG 4.45Å; Y220-F251 HydrophobicContact CD2-CD1 4.38Å; Y220-F251 HydrophobicContact CE1-CB 4.43Å; Y220-F251 AromaticContact CE1-CD1 3.86Å; Y220-F251 HydrophobicContact CE1-CD1 3.86Å; Y220-F251 HydrophobicContact CE1-CG 4.43Å; Y220-F251 AromaticContact CG-CD1 3.86Å; Y220-F251 HydrophobicContact CG-CD1 3.86Å; Y220-F251 AromaticContact CG-CE1 3.89Å; Y220-F251 HydrophobicContact CG-CE1 3.89Å; A222-F251 HydrophobicContact CB-CE1 3.64Å; A222-F251 HydrophobicContact CB-CZ 3.85Å; V238-F251 WeakPolarHBondContact CA-O 3.5Å; L239-F251 HydrophobicContact CB-CB 4.32Å; L239-F251 HydrophobicContact CB-CD2 4.38Å; L239-F251 HydrophobicContact CD2-CD2 4.29Å; L239-F251 HydrophobicContact CG-CD2 4.33Å; L239-F251 PolarHBondContact N-O 3.45Å; L239-F251 PolarHBondContact O-N 3.39Å; S241-F251 VanDerWaalsContact OG-CE2 3.24Å; S241-F251 WeakPolarHBondContact OG-CE2 3.4Å; K249-F251 HydrophobicContact CB-CE2 3.98Å; K249-F251 HydrophobicContact CB-CZ 3.81Å; K249-F251 HydrophobicContact CD-CZ 4.47Å; F251-R257 WeakPolarHBondContact CA-O 3.37Å; F251-P258 HydrophobicContact CD1-CB 3.85Å; F251-P258 HydrophobicContact CE1-CB 3.95Å
252	D	94.8	Very high	95.2	Very high	21 Å²	21	40.6 Å²	40.6	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.2	165.6	-167.2	-28	0	0	0	109	Y220 L254 E255 G256 R257 L259	Y220-D252 PolarHBondContact OH-O 3.32Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 WeakPolarHBondContact OD1-CA 3.47Å; D252-L254 WeakPolarHBondContact OD1-CB 3.41Å; D252-L254 PolarHBondContact OD1-N 3.26Å; D252-E255 HydrophobicContact CB-CB 4.29Å; D252-E255 PolarHBondContact OD1-N 3.14Å; D252-G256 VanDerWaalsContact O-CA 3.3Å; D252-G256 WeakPolarHBondContact O-CA 3.25Å; D252-G256 PolarHBondContact O-N 3.05Å; D252-R257 HydrophobicContact CB-CG 4.49Å; D252-R257 PolarHBondContact N-O 2.95Å; D252-R257 PolarHBondContact O-N 2.95Å; D252-L259 HydrophobicContact CB-CD1 3.83Å; D252-L259 HydrophobicContact CB-CD2 3.97Å; D252-L259 HydrophobicContact CB-CG 3.79Å
253	L	94.5	Very high	95	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.084	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.5	178.6	-65.4	-177.9	0	0	0	112.8	L208 Q218 H237 L239	L208-L253 HydrophobicContact CD2-CD2 4.28Å; Q218-L253 PolarHBondContact NE2-O 3.46Å; H237-L253 PolarHBondContact O-N 3.4Å; L239-L253 HydrophobicContact CB-CD1 4.25Å; L239-L253 HydrophobicContact CB-CD2 3.75Å; L239-L253 HydrophobicContact CB-CG 4.03Å; L239-L253 HydrophobicContact CD2-CD2 4.18Å
254	L	91.5	Very high	94.6	Very high	108 Å²	108	49.5 Å²	49.5	57%	0.565	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-49	178.4	-176.9	65.3	0	0	0	110.8	D252	D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 WeakPolarHBondContact OD1-CA 3.47Å; D252-L254 WeakPolarHBondContact OD1-CB 3.41Å; D252-L254 PolarHBondContact OD1-N 3.26Å
255	E	91.1	Very high	94.5	Very high	118 Å²	118	45.7 Å²	45.7	55%	0.551	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.8	-179.8	-66	-175.3	171.4	0	0	113	D252 R257	D252-E255 HydrophobicContact CB-CB 4.29Å; D252-E255 PolarHBondContact OD1-N 3.14Å; E255-R257 HydrophobicContact CB-CG 4.1Å; E255-R257 IonicContact OE2-CZ 3.94Å; E255-R257 IonicContact OE2-NE 2.79Å; E255-R257 PolarHBondContact OE2-NE 3.5Å; E255-R257 IonicContact OE2-NH2 3.94Å; E255-R257 PolarHBondContact OE2-NH2 2.9Å
256	G	92.6	Very high	94.3	Very high	33 Å²	33	51.6 Å²	51.6	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	33.1	178.3	0	0	0	0	0	113.5	Y220 D252	Y220-G256 WeakPolarHBondContact CE1-O 3.38Å; Y220-G256 WeakPolarHBondContact OH-CA 3.32Å; D252-G256 VanDerWaalsContact O-CA 3.3Å; D252-G256 WeakPolarHBondContact O-CA 3.25Å; D252-G256 PolarHBondContact O-N 3.05Å
257	R	92.7	Very high	94.3	Very high	130 Å²	130	50.6 Å²	50.6	49%	0.491	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.6	-176.3	67.2	169.7	175.7	145.5	-5.7	113.5	F251 D252 E255	F251-R257 WeakPolarHBondContact CA-O 3.37Å; D252-R257 HydrophobicContact CB-CG 4.49Å; D252-R257 PolarHBondContact N-O 2.95Å; D252-R257 PolarHBondContact O-N 2.95Å; E255-R257 HydrophobicContact CB-CG 4.1Å; E255-R257 IonicContact OE2-CZ 3.94Å; E255-R257 IonicContact OE2-NE 2.79Å; E255-R257 PolarHBondContact OE2-NE 3.5Å; E255-R257 IonicContact OE2-NH2 3.94Å; E255-R257 PolarHBondContact OE2-NH2 2.9Å
258	P	93.8	Very high	94.2	Very high	70 Å²	70	51.3 Å²	51.3	46%	0.455	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.9	168.4	28.3	-33.7	0	0	0	111	F251	F251-P258 HydrophobicContact CD1-CB 3.85Å; F251-P258 HydrophobicContact CE1-CB 3.95Å
259	L	92.7	Very high	94.3	Very high	41 Å²	41	51.3 Å²	51.3	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-50.4	176.7	-68.3	176.4	0	0	0	112.2	M1 I250 D252	M1-L259 HydrophobicContact CE-CD1 4.07Å; M1-L259 HydrophobicContact SD-CD1 3.96Å; I250-L259 HydrophobicContact CG2-CB 4.39Å; I250-L259 HydrophobicContact CG2-CD1 4.38Å; I250-L259 PolarHBondContact O-N 3.01Å; D252-L259 HydrophobicContact CB-CD1 3.83Å; D252-L259 HydrophobicContact CB-CD2 3.97Å; D252-L259 HydrophobicContact CB-CG 3.79Å
260	F	93.9	Very high	94.3	Very high	29 Å²	29	50.8 Å²	50.8	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.9	-174.2	-55.7	-71.7	0	0	0	111.3	M1 D3 K249 I250 L262 F297	M1-F260 HydrophobicContact CB-CE2 4.48Å; M1-F260 HydrophobicContact CB-CZ 4.02Å; M1-F260 HydrophobicContact CG-CE2 4.12Å; M1-F260 HydrophobicContact CG-CZ 4.06Å; M1-F260 HydrophobicContact SD-CE2 3.68Å; M1-F260 HydrophobicContact SD-CZ 4.17Å; D3-F260 WeakPolarHBondContact OD1-CE1 3.44Å; K249-F260 WeakPolarHBondContact CA-O 3.4Å; I250-F260 HydrophobicContact CB-CB 4.21Å; I250-F260 HydrophobicContact CB-CD2 4.19Å; I250-F260 HydrophobicContact CD1-CB 4.05Å; I250-F260 HydrophobicContact CD1-CD2 3.98Å; I250-F260 HydrophobicContact CD1-CG 4.44Å; I250-F260 HydrophobicContact CG2-CD2 4.22Å; I250-F260 PolarHBondContact N-O 2.93Å; I250-F260 PolarHBondContact O-N 2.99Å; F260-L262 HydrophobicContact CB-CD2 3.97Å; F260-F297 HydrophobicContact CD2-CE1 4.36Å; F260-F297 AromaticContact CE2-CE1 3.99Å; F260-F297 HydrophobicContact CE2-CE1 3.99Å
261	T	95.5	Very high	94.4	Very high	69 Å²	69	50.8 Å²	50.8	42%	0.423	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.6	162.7	-62.6	0	0	0	0	107.1	T247 L248 K249	T247-T261 HydrophobicContact CG2-CG2 4.08Å; L248-T261 CarbonylContact O-C 3.55Å; L248-T261 WeakPolarHBondContact O-CA 3.32Å; K249-T261 HydrophobicContact CG-CG2 4.29Å; K249-T261 PolarHBondContact NZ-OG1 3.15Å; K249-T261 VanDerWaalsContact NZ-OG1 3.07Å
262	L	94.8	Very high	94.4	Very high	17 Å²	17	51 Å²	51	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.2	-179.1	-43.4	176.6	0	0	0	109.6	P4 T247 L248 I250 F260 F281 W293	P4-L262 HydrophobicContact CB-CD1 4.4Å; P4-L262 HydrophobicContact CG-CD1 3.63Å; P4-L262 HydrophobicContact CG-CD2 3.47Å; P4-L262 VanDerWaalsContact CG-CD2 3.47Å; P4-L262 HydrophobicContact CG-CG 4.15Å; T247-L262 WeakPolarHBondContact CA-O 3.4Å; L248-L262 HydrophobicContact CB-CB 4.13Å; L248-L262 HydrophobicContact CB-CD1 4.42Å; L248-L262 HydrophobicContact CD1-CD1 4.47Å; L248-L262 PolarHBondContact N-O 2.8Å; L248-L262 PolarHBondContact O-N 2.93Å; I250-L262 HydrophobicContact CD1-CD1 3.74Å; I250-L262 HydrophobicContact CD1-CG 4.2Å; F260-L262 HydrophobicContact CB-CD2 3.97Å; L262-F281 HydrophobicContact CD1-CE2 4Å; L262-F281 HydrophobicContact CD1-CZ 3.47Å; L262-F281 VanDerWaalsContact CD1-CZ 3.47Å; L262-W293 HydrophobicContact CB-CH2 4.23Å; L262-W293 HydrophobicContact CB-CZ3 4.45Å; L262-W293 HydrophobicContact CD1-CE3 4.36Å; L262-W293 HydrophobicContact CD1-CZ3 4.41Å
263	Q	93.5	Very high	94.6	Very high	152 Å²	152	50.3 Å²	50.3	71%	0.71	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.6	178.1	-65.2	-179.1	-19.5	0	0	109.1	T247	T247-Q263 HydrophobicContact CG2-CG 4.19Å
264	G	90.3	Very high	94.7	Very high	35 Å²	35	50.5 Å²	50.5	36%	0.361	27%	0.273	S	S	.	.			trans	163.9	-36.5	174.1	0	0	0	0	0	113	F291	G264-F291 VanDerWaalsContact C-CE2 3.49Å
265	H	94.2	Very high	94.9	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.037	25%	0.246	C	C	.	.			trans	-66.8	142.1	174.9	-79.5	-74	0	0	0	111.1	G267 I269 S283 D287 Q289 F291	H265-G267 PolarHBondContact O-N 3.02Å; H265-I269 HydrophobicContact CB-CD1 4.06Å; H265-I269 HydrophobicContact CB-CG1 3.84Å; H265-S283 WeakPolarHBondContact NE2-CB 3.46Å; H265-S283 PolarHBondContact NE2-OG 3.07Å; H265-D287 VanDerWaalsContact CA-OD2 3.27Å; H265-D287 WeakPolarHBondContact CA-OD2 3.17Å; H265-D287 IonicContact CE1-OD1 3.8Å; H265-D287 IonicContact CG-OD2 3.12Å; H265-D287 VanDerWaalsContact ND1-CG 3.34Å; H265-D287 IonicContact ND1-OD1 3.79Å; H265-D287 PolarHBondContact ND1-OD1 3.04Å; H265-D287 IonicContact ND1-OD2 3.35Å; H265-D287 PolarHBondContact ND1-OD2 2.81Å; H265-Q289 PolarHBondContact CE1-O 3.24Å; H265-Q289 VanDerWaalsContact CE1-O 3.3Å; H265-F291 AromaticContact CD2-CD2 3.85Å; H265-F291 AromaticContact CD2-CE2 3.94Å; H265-F291 AromaticContact CE1-CD1 3.88Å; H265-F291 AromaticContact CE1-CD2 3.85Å; H265-F291 AromaticContact CE1-CE1 3.98Å; H265-F291 AromaticContact CE1-CG 3.78Å; H265-F291 AromaticContact ND1-CZ 3.97Å; H265-F291 AromaticContact NE2-CD2 3.54Å; H265-F291 AromaticContact NE2-CE2 3.98Å; H265-F291 AromaticContact NE2-CG 3.7Å
266	Q	94.3	Very high	95	Very high	156 Å²	156	42.9 Å²	42.9	73%	0.729	25%	0.246	S	C	*	.	S	Bend	trans	-96.7	71.7	176.9	-62.6	-61.6	-47	0	0	109.9	D287	Q266-D287 HydrophobicContact CB-CB 4.1Å; Q266-D287 PolarHBondContact N-OD2 2.79Å
267	G	95.4	Very high	95	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	25%	0.251	C	S	.	.	S	Bend	trans	127.2	-174.3	-179.4	0	0	0	0	0	113.4	S246 H265 I269	S246-G267 WeakPolarHBondContact CA-O 3.3Å; S246-G267 VanDerWaalsContact CB-O 3.27Å; S246-G267 WeakPolarHBondContact CB-O 3.12Å; S246-G267 WeakPolarHBondContact OG-CA 3.32Å; S246-G267 PolarHBondContact OG-N 3.32Å; S246-G267 PolarHBondContact OG-O 3.34Å; S246-G267 VanDerWaalsContact OG-O 3.1Å; H265-G267 PolarHBondContact O-N 3.02Å; G267-I269 PolarHBondContact O-N 2.8Å
268	P	97.2	Very high	95	Very high	28 Å²	28	38.1 Å²	38.1	18%	0.182	23%	0.227	C	C	.	.			trans	-51.3	133.6	-175.8	-32	37.7	0	0	0	113.5	E244 G285 N286	E244-P268 HydrophobicContact CB-CB 4.48Å; E244-P268 HydrophobicContact CG-CB 4.02Å; E244-P268 HydrophobicContact CG-CG 3.83Å; P268-G285 CarbonylContact O-C 3.46Å; P268-G285 VanDerWaalsContact O-CA 3.27Å; P268-G285 WeakPolarHBondContact O-CA 3.29Å; P268-N286 HydrophobicContact CB-CB 4.46Å; P268-N286 PolarHBondContact O-N 2.81Å
269	I	98	Very high	95	Very high	2 Å²	2	38 Å²	38	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.7	176.5	-48	-179.3	0	0	0	108.9	H228 A242 S243 L248 H265 G267 G284	H228-I269 PolarHBondContact CD2-O 2.89Å; A242-I269 HydrophobicContact CB-CB 4.04Å; A242-I269 HydrophobicContact CB-CG2 3.73Å; S243-I269 PolarHBondContact O-N 3.32Å; L248-I269 HydrophobicContact CD2-CD1 4.02Å; L248-I269 HydrophobicContact CD2-CG2 3.91Å; L248-I269 HydrophobicContact CG-CD1 3.69Å; H265-I269 HydrophobicContact CB-CD1 4.06Å; H265-I269 HydrophobicContact CB-CG1 3.84Å; G267-I269 PolarHBondContact O-N 2.8Å; I269-G284 WeakPolarHBondContact CG2-O 3.47Å
270	T	97.2	Very high	95.1	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-18.8	-168.4	35.4	0	0	0	0	112.8	I17 K229 G284	I17-T270 VanDerWaalsContact O-CB 3.27Å; I17-T270 WeakPolarHBondContact O-CB 3.22Å; I17-T270 PolarHBondContact O-OG1 2.74Å; K229-T270 WeakPolarHBondContact CE-O 3.4Å; K229-T270 WeakPolarHBondContact CG-O 3.29Å; T270-G284 PolarHBondContact N-O 2.68Å; T270-G284 PolarHBondContact OG1-O 3.42Å
271	A	97.3	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.8	-177.6	0	0	0	0	0	111.4	I17 V20 S283 G284	I17-A271 HydrophobicContact CG2-CB 3.99Å; V20-A271 HydrophobicContact CG1-CB 4.04Å; V20-A271 HydrophobicContact CG2-CB 4.1Å; A271-S283 CarbonylContact O-C 3.55Å; A271-S283 VanDerWaalsContact O-CA 3.25Å; A271-S283 WeakPolarHBondContact O-CA 3.47Å; A271-G284 PolarHBondContact N-O 2.9Å; A271-G284 PolarHBondContact O-N 3.13Å
272	A	97.7	Very high	95.3	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	141.8	169.6	0	0	0	0	0	110.2	K229 L240 A242 L248 A282	K229-A272 HydrophobicContact CB-CB 4.26Å; L240-A272 HydrophobicContact CD2-CB 3.9Å; L240-A272 HydrophobicContact CG-CB 4.41Å; A242-A272 HydrophobicContact CB-CB 3.89Å; L248-A272 HydrophobicContact CD2-CB 4.3Å; A272-A282 VanDerWaalsContact CA-O 3.26Å; A272-A282 WeakPolarHBondContact CA-O 3.4Å
273	A	97.6	Very high	95.5	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.9	175.1	0	0	0	0	0	111.4	V20 F22 F281 A282	V20-A273 HydrophobicContact CG2-CB 4.04Å; F22-A273 WeakPolarHBondContact CE2-O 3.42Å; A273-F281 CarbonylContact O-C 3.49Å; A273-F281 WeakPolarHBondContact O-CA 3.36Å; A273-F281 VanDerWaalsContact O-CB 3.24Å; A273-F281 WeakPolarHBondContact O-CB 3.05Å; A273-A282 PolarHBondContact N-O 3.33Å; A273-A282 PolarHBondContact O-N 2.79Å
274	F	97	Very high	95.6	Very high	20 Å²	20	25.6 Å²	25.6	9%	0.088	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	150.4	167.8	-76.3	-70.7	0	0	0	111.2	F22 A231 H233 V238 L240 F281 T295 F297	F22-F274 WeakPolarHBondContact CD2-O 3.17Å; A231-F274 HydrophobicContact CB-CD2 3.89Å; A231-F274 HydrophobicContact CB-CE2 4.27Å; A231-F274 VanDerWaalsContact O-CE2 3.31Å; A231-F274 WeakPolarHBondContact O-CE2 3.27Å; H233-F274 HydrophobicContact CB-CD2 4.13Å; H233-F274 HydrophobicContact CB-CE1 4.48Å; H233-F274 HydrophobicContact CB-CE2 3.89Å; H233-F274 HydrophobicContact CB-CG 4.5Å; H233-F274 HydrophobicContact CB-CZ 4.09Å; H233-F274 AromaticContact CD2-CD1 3.59Å; H233-F274 AromaticContact CD2-CE1 3.59Å; V238-F274 HydrophobicContact CG1-CZ 4.46Å; L240-F274 HydrophobicContact CB-CD2 4.44Å; L240-F274 HydrophobicContact CB-CE2 3.42Å; L240-F274 VanDerWaalsContact CB-CE2 3.42Å; L240-F274 HydrophobicContact CB-CZ 3.6Å; L240-F274 HydrophobicContact CD2-CE2 4.17Å; L240-F274 HydrophobicContact CD2-CZ 4.1Å; L240-F274 HydrophobicContact CG-CE2 4.45Å; L240-F274 HydrophobicContact CG-CZ 4.42Å; F274-F281 HydrophobicContact CD1-CB 3.58Å; F274-F281 HydrophobicContact CD1-CG 4.41Å; F274-F281 HydrophobicContact CE1-CB 3.78Å; F274-F281 HydrophobicContact CE1-CD1 4.04Å; F274-F281 HydrophobicContact CE1-CG 4.13Å; F274-F281 HydrophobicContact CG-CB 4.31Å; F274-T295 HydrophobicContact CD1-CG2 4.35Å; F274-T295 HydrophobicContact CE1-CG2 3.99Å; F274-F297 HydrophobicContact CE1-CD2 4.47Å; F274-F297 HydrophobicContact CE1-CE2 4.02Å; F274-F297 HydrophobicContact CZ-CE2 4.32Å
275	S	96.1	Very high	95.9	Very high	2 Å²	2	24 Å²	24	1%	0.014	14%	0.142	C	C	.	.			trans	-72.1	154.6	164.1	59.6	0	0	0	0	110.6	P234 S277 G278 H280	P234-S275 WeakPolarHBondContact CG-O 3.32Å; S275-S277 PolarHBondContact O-N 2.96Å; S275-G278 WeakPolarHBondContact O-CA 3.34Å; S275-G278 PolarHBondContact O-N 2.87Å; S275-H280 WeakPolarHBondContact CB-O 3.28Å; S275-H280 PolarHBondContact N-O 2.84Å; S275-H280 PolarHBondContact OG-N 2.71Å; S275-H280 VanDerWaalsContact OG-N 3.1Å; S275-H280 PolarHBondContact OG-O 2.92Å
276	A	93	Very high	96	Very high	65 Å²	65	26.7 Å²	26.7	54%	0.537	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-31	-179.5	0	0	0	0	0	113.6	G278	A276-G278 VanDerWaalsContact C-N 3.27Å
277	S	92.9	Very high	96.1	Very high	63 Å²	63	20.1 Å²	20.1	44%	0.441	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.5	174.1	76	0	0	0	0	113.4	S275 D279 N298	S275-S277 PolarHBondContact O-N 2.96Å; S277-D279 WeakPolarHBondContact CB-OD2 3.47Å; S277-D279 PolarHBondContact O-N 2.86Å; S277-D279 PolarHBondContact OG-N 2.97Å; S277-D279 PolarHBondContact OG-OD2 2.98Å; S277-N298 PolarHBondContact O-ND2 2.81Å
278	G	93.2	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	77.6	-11.2	-174.4	0	0	0	0	0	114.5	H233 S275 A276 H280 T295	H233-G278 WeakPolarHBondContact NE2-CA 3.42Å; H233-G278 PolarHBondContact NE2-O 2.99Å; S275-G278 WeakPolarHBondContact O-CA 3.34Å; S275-G278 PolarHBondContact O-N 2.87Å; A276-G278 VanDerWaalsContact C-N 3.27Å; G278-H280 PolarHBondContact O-N 2.99Å; G278-T295 WeakPolarHBondContact O-CB 3.32Å; G278-T295 WeakPolarHBondContact O-CG2 3.49Å; G278-T295 PolarHBondContact O-OG1 3.16Å
279	D	92.9	Very high	96.1	Very high	68 Å²	68	24.1 Å²	24.1	36%	0.364	14%	0.138	S	C	.	.	S	Bend	trans	-70.5	-16.4	-174.4	-57.8	-49.5	0	0	0	113.9	S277 T295 N298	S277-D279 WeakPolarHBondContact CB-OD2 3.47Å; S277-D279 PolarHBondContact O-N 2.86Å; S277-D279 PolarHBondContact OG-N 2.97Å; S277-D279 PolarHBondContact OG-OD2 2.98Å; D279-T295 WeakPolarHBondContact CA-OG1 3.27Å; D279-T295 PolarHBondContact O-N 2.94Å; D279-T295 PolarHBondContact O-OG1 3.15Å; D279-N298 PolarHBondContact OD1-ND2 3.06Å
280	H	95.1	Very high	96	Very high	47 Å²	47	24 Å²	24	22%	0.218	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.1	178	-55.8	84.6	0	0	0	111.2	Q7 F22 S275 G278 L292 W293	Q7-H280 PolarHBondContact NE2-NE2 3.09Å; Q7-H280 VanDerWaalsContact NE2-NE2 3.13Å; Q7-H280 PolarHBondContact OE1-CD2 3.46Å; Q7-H280 VanDerWaalsContact OE1-CD2 3.32Å; Q7-H280 PolarHBondContact OE1-NE2 3.39Å; F22-H280 HydrophobicContact CZ-CB 4.45Å; S275-H280 WeakPolarHBondContact CB-O 3.28Å; S275-H280 PolarHBondContact N-O 2.84Å; S275-H280 PolarHBondContact OG-N 2.71Å; S275-H280 VanDerWaalsContact OG-N 3.1Å; S275-H280 PolarHBondContact OG-O 2.92Å; G278-H280 PolarHBondContact O-N 2.99Å; H280-L292 HydrophobicContact CB-CD1 4.1Å; H280-W293 CarbonylContact C-O 3.53Å; H280-W293 WeakPolarHBondContact CA-O 3.18Å; H280-W293 WeakPolarHBondContact CB-O 3.42Å
281	F	96.6	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.3	162	64.1	-81.7	0	0	0	109.9	P4 L240 L248 L262 A273 F274 W293 T295	P4-F281 HydrophobicContact CB-CE1 3.81Å; P4-F281 HydrophobicContact CB-CZ 4.09Å; P4-F281 HydrophobicContact CG-CZ 4.5Å; L240-F281 HydrophobicContact CD2-CB 4.25Å; L240-F281 HydrophobicContact CD2-CD2 3.79Å; L240-F281 HydrophobicContact CD2-CE2 4.46Å; L240-F281 HydrophobicContact CD2-CG 4.16Å; L248-F281 HydrophobicContact CD1-CE2 3.92Å; L262-F281 HydrophobicContact CD1-CE2 4Å; L262-F281 HydrophobicContact CD1-CZ 3.47Å; L262-F281 VanDerWaalsContact CD1-CZ 3.47Å; A273-F281 CarbonylContact O-C 3.49Å; A273-F281 WeakPolarHBondContact O-CA 3.36Å; A273-F281 VanDerWaalsContact O-CB 3.24Å; A273-F281 WeakPolarHBondContact O-CB 3.05Å; F274-F281 HydrophobicContact CD1-CB 3.58Å; F274-F281 HydrophobicContact CD1-CG 4.41Å; F274-F281 HydrophobicContact CE1-CB 3.78Å; F274-F281 HydrophobicContact CE1-CD1 4.04Å; F274-F281 HydrophobicContact CE1-CG 4.13Å; F274-F281 HydrophobicContact CG-CB 4.31Å; F281-W293 HydrophobicContact CD1-CB 3.7Å; F281-W293 HydrophobicContact CD1-CG 4.49Å; F281-W293 HydrophobicContact CD2-CB 3.89Å; F281-W293 AromaticContact CD2-CD1 3.53Å; F281-W293 AromaticContact CD2-CG 3.85Å; F281-W293 HydrophobicContact CD2-CG 3.85Å; F281-W293 HydrophobicContact CE1-CB 3.3Å; F281-W293 AromaticContact CE1-CG 4Å; F281-W293 HydrophobicContact CE1-CG 4Å; F281-W293 HydrophobicContact CE2-CB 3.48Å; F281-W293 VanDerWaalsContact CE2-CB 3.48Å; F281-W293 AromaticContact CE2-CD1 3.2Å; F281-W293 AromaticContact CE2-CD2 3.81Å; F281-W293 HydrophobicContact CE2-CD2 3.81Å; F281-W293 AromaticContact CE2-CG 3.22Å; F281-W293 HydrophobicContact CE2-CG 3.22Å; F281-W293 AromaticContact CE2-NE1 3.72Å; F281-W293 HydrophobicContact CG-CB 3.99Å; F281-W293 HydrophobicContact CG-CG 4.44Å; F281-W293 HydrophobicContact CZ-CB 3.17Å; F281-W293 AromaticContact CZ-CD1 3.83Å; F281-W293 AromaticContact CZ-CD2 3.78Å; F281-W293 HydrophobicContact CZ-CD2 3.78Å; F281-W293 HydrophobicContact CZ-CE3 4.27Å; F281-W293 AromaticContact CZ-CG 3.31Å; F281-W293 HydrophobicContact CZ-CG 3.31Å; F281-W293 PolarHBondContact N-O 3.46Å; F281-W293 PolarHBondContact O-N 2.63Å; F281-T295 HydrophobicContact CD1-CG2 3.46Å; F281-T295 VanDerWaalsContact CD1-CG2 3.46Å; F281-T295 HydrophobicContact CE1-CG2 3.96Å
282	A	97.5	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150	174.8	0	0	0	0	0	109.8	V20 F22 L29 A272 A273 F291	V20-A282 HydrophobicContact CG2-CB 4.05Å; F22-A282 HydrophobicContact CE2-CB 3.63Å; F22-A282 HydrophobicContact CZ-CB 3.58Å; L29-A282 HydrophobicContact CD1-CB 3.61Å; L29-A282 HydrophobicContact CD2-CB 3.78Å; L29-A282 HydrophobicContact CG-CB 4.37Å; A272-A282 VanDerWaalsContact CA-O 3.26Å; A272-A282 WeakPolarHBondContact CA-O 3.4Å; A273-A282 PolarHBondContact N-O 3.33Å; A273-A282 PolarHBondContact O-N 2.79Å; A282-F291 CarbonylContact C-O 3.52Å; A282-F291 WeakPolarHBondContact CA-O 2.98Å
283	S	97.7	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.8	170.3	59.7	0	0	0	0	110.6	H265 A271 V290 F291 W293	H265-S283 WeakPolarHBondContact NE2-CB 3.46Å; H265-S283 PolarHBondContact NE2-OG 3.07Å; A271-S283 CarbonylContact O-C 3.55Å; A271-S283 VanDerWaalsContact O-CA 3.25Å; A271-S283 WeakPolarHBondContact O-CA 3.47Å; S283-V290 CarbonylContact O-C 3.49Å; S283-V290 VanDerWaalsContact O-CA 3.29Å; S283-V290 WeakPolarHBondContact O-CA 3.46Å; S283-F291 PolarHBondContact N-O 3.31Å; S283-F291 PolarHBondContact O-N 3.14Å; S283-W293 PolarHBondContact OG-NE1 3.16Å
284	G	97.4	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.5	175.2	0	0	0	0	0	110.2	I269 T270 A271 Q289	I269-G284 WeakPolarHBondContact CG2-O 3.47Å; T270-G284 PolarHBondContact N-O 2.68Å; T270-G284 PolarHBondContact OG1-O 3.42Å; A271-G284 PolarHBondContact N-O 2.9Å; A271-G284 PolarHBondContact O-N 3.13Å; G284-Q289 WeakPolarHBondContact CA-O 3.48Å
285	G	96.2	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-178.2	-175.6	0	0	0	0	0	114.4	I17 P268 D287 E288 Q289	I17-G285 PolarHBondContact N-O 3.38Å; I17-G285 VanDerWaalsContact N-O 3.1Å; P268-G285 CarbonylContact O-C 3.46Å; P268-G285 VanDerWaalsContact O-CA 3.27Å; P268-G285 WeakPolarHBondContact O-CA 3.29Å; G285-D287 WeakPolarHBondContact CA-OD1 3.42Å; G285-D287 PolarHBondContact O-N 3.4Å; G285-E288 PolarHBondContact O-N 3.42Å; G285-Q289 PolarHBondContact N-O 2.77Å
286	N	96.4	Very high	94.7	Very high	66 Å²	66	30.1 Å²	30.1	35%	0.353	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.7	169	-77.9	2.1	0	0	0	113.2	S16 P268 E288	S16-N286 VanDerWaalsContact CB-OD1 3.31Å; S16-N286 WeakPolarHBondContact CB-OD1 3.46Å; S16-N286 PolarHBondContact OG-OD1 3.06Å; P268-N286 HydrophobicContact CB-CB 4.46Å; P268-N286 PolarHBondContact O-N 2.81Å; N286-E288 PolarHBondContact O-N 3.32Å
287	D	96	Very high	94	Very high	18 Å²	18	27.1 Å²	27.1	10%	0.096	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	11.5	175.7	62.9	-8.8	0	0	0	113.8	H265 Q266 G285 Q289	H265-D287 VanDerWaalsContact CA-OD2 3.27Å; H265-D287 WeakPolarHBondContact CA-OD2 3.17Å; H265-D287 IonicContact CE1-OD1 3.8Å; H265-D287 IonicContact CG-OD2 3.12Å; H265-D287 VanDerWaalsContact ND1-CG 3.34Å; H265-D287 IonicContact ND1-OD1 3.79Å; H265-D287 PolarHBondContact ND1-OD1 3.04Å; H265-D287 IonicContact ND1-OD2 3.35Å; H265-D287 PolarHBondContact ND1-OD2 2.81Å; Q266-D287 HydrophobicContact CB-CB 4.1Å; Q266-D287 PolarHBondContact N-OD2 2.79Å; G285-D287 WeakPolarHBondContact CA-OD1 3.42Å; G285-D287 PolarHBondContact O-N 3.4Å; D287-Q289 VanDerWaalsContact O-CG 3.26Å; D287-Q289 WeakPolarHBondContact O-CG 3.45Å; D287-Q289 PolarHBondContact O-N 3.13Å; D287-Q289 VanDerWaalsContact O-N 3.13Å; D287-Q289 PolarHBondContact O-NE2 3.42Å; D287-Q289 PolarHBondContact OD1-N 3.21Å
288	E	96.3	Very high	92.4	Very high	88 Å²	88	27.4 Å²	27.4	41%	0.411	13%	0.13	S	C	.	.	S	Bend	trans	63.2	14.7	178	-48.3	174	-174.5	0	0	113.7	I17 G285 N286	I17-E288 VanDerWaalsContact CD1-C 3.45Å; G285-E288 PolarHBondContact O-N 3.42Å; N286-E288 PolarHBondContact O-N 3.32Å
289	Q	95.5	Very high	90.3	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.3	-172.4	-68.9	161.1	64.3	0	0	112.1	H9 K11 I17 H265 G284 G285 D287 F291	H9-Q289 PolarHBondContact CE1-OE1 2.86Å; H9-Q289 VanDerWaalsContact NE2-CD 3.34Å; H9-Q289 WeakPolarHBondContact NE2-CG 3.41Å; H9-Q289 PolarHBondContact NE2-OE1 2.77Å; K11-Q289 HydrophobicContact CG-CG 4.15Å; I17-Q289 VanDerWaalsContact CD1-N 3.29Å; I17-Q289 WeakPolarHBondContact CD1-O 3.22Å; H265-Q289 PolarHBondContact CE1-O 3.24Å; H265-Q289 VanDerWaalsContact CE1-O 3.3Å; G284-Q289 WeakPolarHBondContact CA-O 3.48Å; G285-Q289 PolarHBondContact N-O 2.77Å; D287-Q289 VanDerWaalsContact O-CG 3.26Å; D287-Q289 WeakPolarHBondContact O-CG 3.45Å; D287-Q289 PolarHBondContact O-N 3.13Å; D287-Q289 VanDerWaalsContact O-N 3.13Å; D287-Q289 PolarHBondContact O-NE2 3.42Å; D287-Q289 PolarHBondContact OD1-N 3.21Å; Q289-F291 HydrophobicContact CB-CD1 4.21Å; Q289-F291 HydrophobicContact CB-CE1 3.69Å; Q289-F291 HydrophobicContact CG-CE1 4.49Å
290	V	96.6	Very high	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.9	170.2	-176	0	0	0	0	108.3	F10 I17 V20 L29 S283	F10-V290 HydrophobicContact CB-CB 4.11Å; F10-V290 HydrophobicContact CD2-CB 4.23Å; F10-V290 HydrophobicContact CD2-CG1 4.19Å; F10-V290 PolarHBondContact N-O 2.98Å; F10-V290 PolarHBondContact O-N 3Å; F10-V290 VanDerWaalsContact O-N 3.12Å; I17-V290 HydrophobicContact CD1-CB 4.37Å; I17-V290 HydrophobicContact CD1-CG2 3.39Å; I17-V290 HydrophobicContact CG1-CG2 3.99Å; I17-V290 HydrophobicContact CG2-CG2 4.26Å; V20-V290 HydrophobicContact CG1-CG1 4.08Å; V20-V290 HydrophobicContact CG1-CG2 4.41Å; L29-V290 HydrophobicContact CD2-CG1 3.59Å; S283-V290 CarbonylContact O-C 3.49Å; S283-V290 VanDerWaalsContact O-CA 3.29Å; S283-V290 WeakPolarHBondContact O-CA 3.46Å
291	F	96.7	Very high	85.1	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.3	176.4	-69.4	5.5	0	0	0	109.6	L6 H9 G264 H265 A282 S283 Q289 W293	L6-F291 HydrophobicContact CD1-CB 3.55Å; L6-F291 HydrophobicContact CD1-CD2 3.9Å; L6-F291 HydrophobicContact CD1-CG 3.76Å; L6-F291 HydrophobicContact CD2-CD2 4.44Å; H9-F291 AromaticContact CD2-CD1 3.42Å; H9-F291 VanDerWaalsContact CD2-CD1 3.42Å; H9-F291 WeakPolarHBondContact CD2-CD1 3.16Å; H9-F291 AromaticContact CD2-CE1 3.1Å; H9-F291 WeakPolarHBondContact CD2-CE1 3.45Å; H9-F291 AromaticContact NE2-CD1 3.87Å; H9-F291 AromaticContact NE2-CE1 3.25Å; H9-F291 VanDerWaalsContact NE2-CE1 3.25Å; H9-F291 WeakPolarHBondContact NE2-CE1 3.37Å; G264-F291 VanDerWaalsContact C-CE2 3.49Å; H265-F291 AromaticContact CD2-CD2 3.85Å; H265-F291 AromaticContact CD2-CE2 3.94Å; H265-F291 AromaticContact CE1-CD1 3.88Å; H265-F291 AromaticContact CE1-CD2 3.85Å; H265-F291 AromaticContact CE1-CE1 3.98Å; H265-F291 AromaticContact CE1-CG 3.78Å; H265-F291 AromaticContact ND1-CZ 3.97Å; H265-F291 AromaticContact NE2-CD2 3.54Å; H265-F291 AromaticContact NE2-CE2 3.98Å; H265-F291 AromaticContact NE2-CG 3.7Å; A282-F291 CarbonylContact C-O 3.52Å; A282-F291 WeakPolarHBondContact CA-O 2.98Å; S283-F291 PolarHBondContact N-O 3.31Å; S283-F291 PolarHBondContact O-N 3.14Å; Q289-F291 HydrophobicContact CB-CD1 4.21Å; Q289-F291 HydrophobicContact CB-CE1 3.69Å; Q289-F291 HydrophobicContact CG-CE1 4.49Å; F291-W293 HydrophobicContact CB-CZ2 4.38Å; F291-W293 HydrophobicContact CD2-CH2 4.43Å; F291-W293 AromaticContact CD2-CZ2 3.65Å; F291-W293 HydrophobicContact CD2-CZ2 3.65Å; F291-W293 HydrophobicContact CE2-CZ2 4.47Å
292	L	95.9	Very high	82.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	170.2	-177.6	70.1	0	0	0	109.3	Q7 I8 F10 F22 I43 H280	Q7-L292 PolarHBondContact N-O 3.24Å; I8-L292 HydrophobicContact CB-CB 4.04Å; I8-L292 HydrophobicContact CB-CD2 4.3Å; I8-L292 HydrophobicContact CD1-CD2 3.85Å; I8-L292 HydrophobicContact CG1-CD2 4.13Å; I8-L292 PolarHBondContact N-O 2.78Å; I8-L292 PolarHBondContact O-N 3.32Å; F10-L292 HydrophobicContact CE2-CB 4.06Å; F22-L292 HydrophobicContact CE1-CD1 3.61Å; F22-L292 HydrophobicContact CZ-CD1 3.53Å; I43-L292 HydrophobicContact CD1-CD2 4.34Å; I43-L292 HydrophobicContact CG1-CD2 4.23Å; I43-L292 HydrophobicContact CG2-CD2 3.69Å; H280-L292 HydrophobicContact CB-CD1 4.1Å
293	W	95.6	Very high	79.1	Confident	14 Å²	14	51.1 Å²	51.1	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.9	-176.1	-53.8	83.5	0	0	0	110.4	S5 L6 L248 L262 H280 F281 S283 F291	S5-W293 CarbonylContact O-C 3.53Å; S5-W293 WeakPolarHBondContact O-CA 3.45Å; L6-W293 HydrophobicContact CB-CD2 4.48Å; L6-W293 HydrophobicContact CB-CE3 3.9Å; L6-W293 HydrophobicContact CB-CZ3 3.9Å; L6-W293 HydrophobicContact CD1-CD2 4.07Å; L6-W293 HydrophobicContact CD1-CE3 4.32Å; L6-W293 HydrophobicContact CD1-CZ2 4.36Å; L248-W293 HydrophobicContact CD1-CZ2 4.16Å; L262-W293 HydrophobicContact CB-CH2 4.23Å; L262-W293 HydrophobicContact CB-CZ3 4.45Å; L262-W293 HydrophobicContact CD1-CE3 4.36Å; L262-W293 HydrophobicContact CD1-CZ3 4.41Å; H280-W293 CarbonylContact C-O 3.53Å; H280-W293 WeakPolarHBondContact CA-O 3.18Å; H280-W293 WeakPolarHBondContact CB-O 3.42Å; F281-W293 HydrophobicContact CD1-CB 3.7Å; F281-W293 HydrophobicContact CD1-CG 4.49Å; F281-W293 HydrophobicContact CD2-CB 3.89Å; F281-W293 AromaticContact CD2-CD1 3.53Å; F281-W293 AromaticContact CD2-CG 3.85Å; F281-W293 HydrophobicContact CD2-CG 3.85Å; F281-W293 HydrophobicContact CE1-CB 3.3Å; F281-W293 AromaticContact CE1-CG 4Å; F281-W293 HydrophobicContact CE1-CG 4Å; F281-W293 HydrophobicContact CE2-CB 3.48Å; F281-W293 VanDerWaalsContact CE2-CB 3.48Å; F281-W293 AromaticContact CE2-CD1 3.2Å; F281-W293 AromaticContact CE2-CD2 3.81Å; F281-W293 HydrophobicContact CE2-CD2 3.81Å; F281-W293 AromaticContact CE2-CG 3.22Å; F281-W293 HydrophobicContact CE2-CG 3.22Å; F281-W293 AromaticContact CE2-NE1 3.72Å; F281-W293 HydrophobicContact CG-CB 3.99Å; F281-W293 HydrophobicContact CG-CG 4.44Å; F281-W293 HydrophobicContact CZ-CB 3.17Å; F281-W293 AromaticContact CZ-CD1 3.83Å; F281-W293 AromaticContact CZ-CD2 3.78Å; F281-W293 HydrophobicContact CZ-CD2 3.78Å; F281-W293 HydrophobicContact CZ-CE3 4.27Å; F281-W293 AromaticContact CZ-CG 3.31Å; F281-W293 HydrophobicContact CZ-CG 3.31Å; F281-W293 PolarHBondContact N-O 3.46Å; F281-W293 PolarHBondContact O-N 2.63Å; S283-W293 PolarHBondContact OG-NE1 3.16Å; F291-W293 HydrophobicContact CB-CZ2 4.38Å; F291-W293 HydrophobicContact CD2-CH2 4.43Å; F291-W293 AromaticContact CD2-CZ2 3.65Å; F291-W293 HydrophobicContact CD2-CZ2 3.65Å; F291-W293 HydrophobicContact CE2-CZ2 4.47Å
294	R	93.8	Very high	76.1	Confident	127 Å²	127	59.2 Å²	59.2	48%	0.479	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.6	168.1	-159.1	179.7	-178.9	159	-0.9	109.7	P4 S5 Q7	P4-R294 WeakPolarHBondContact CA-O 3.41Å; P4-R294 VanDerWaalsContact CB-O 3.27Å; P4-R294 WeakPolarHBondContact CB-O 3.31Å; S5-R294 PolarHBondContact N-O 3.48Å; S5-R294 PolarHBondContact O-N 2.88Å; Q7-R294 HydrophobicContact CG-CB 3.93Å; Q7-R294 VanDerWaalsContact NE2-CB 3.3Å; Q7-R294 VanDerWaalsContact NE2-CG 3.3Å
295	T	89.4	Confident	73.1	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.037	33%	0.334	C	S	.	.			trans	-91.5	154.7	165.7	73.7	0	0	0	0	110.6	F274 G278 D279 F281 F297	F274-T295 HydrophobicContact CD1-CG2 4.35Å; F274-T295 HydrophobicContact CE1-CG2 3.99Å; G278-T295 WeakPolarHBondContact O-CB 3.32Å; G278-T295 WeakPolarHBondContact O-CG2 3.49Å; G278-T295 PolarHBondContact O-OG1 3.16Å; D279-T295 WeakPolarHBondContact CA-OG1 3.27Å; D279-T295 PolarHBondContact O-N 2.94Å; D279-T295 PolarHBondContact O-OG1 3.15Å; F281-T295 HydrophobicContact CD1-CG2 3.46Å; F281-T295 VanDerWaalsContact CD1-CG2 3.46Å; F281-T295 HydrophobicContact CE1-CG2 3.96Å; T295-F297 HydrophobicContact CG2-CD2 3.68Å; T295-F297 HydrophobicContact CG2-CE2 3.44Å; T295-F297 VanDerWaalsContact CG2-CE2 3.44Å; T295-F297 HydrophobicContact CG2-CZ 4.19Å
296	N	83.5	Confident	70	Confident	25 Å²	25	69.9 Å²	69.9	13%	0.134	36%	0.364	C	S	.	.			trans	-121.2	19.4	169.8	-65.7	-46.9	0	0	0	111.5	E2 D3 N298	E2-N296 HydrophobicContact CB-CB 4.02Å; E2-N296 WeakPolarHBondContact CB-ND2 3.38Å; D3-N296 PolarHBondContact O-ND2 3.4Å; D3-N296 VanDerWaalsContact O-ND2 3.14Å; N296-N298 PolarHBondContact O-N 3.44Å
297	F	78.6	Confident	66.8	Low	2 Å²	2	73.9 Å²	73.9	1%	0.009	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-74.3	-27.8	-169.6	-49.9	-33.7	0	0	0	112.9	M1 P4 H233 V238 I250 F260 F274 T295 R299 C300	M1-F297 HydrophobicContact CG-CD1 4.23Å; M1-F297 HydrophobicContact SD-CD1 3.43Å; M1-F297 WeakPolarHBondContact SD-CD1 3.33Å; M1-F297 HydrophobicContact SD-CE1 3.9Å; M1-F297 HydrophobicContact SD-CG 4.49Å; P4-F297 HydrophobicContact CB-CZ 4.45Å; H233-F297 AromaticContact CD2-CD2 3.79Å; H233-F297 AromaticContact NE2-CD2 3.99Å; V238-F297 HydrophobicContact CB-CD2 4.45Å; V238-F297 HydrophobicContact CG1-CD2 4.09Å; V238-F297 HydrophobicContact CG1-CE2 4.07Å; V238-F297 HydrophobicContact CG2-CB 4.28Å; V238-F297 HydrophobicContact CG2-CD2 4.3Å; V238-F297 HydrophobicContact CG2-CG 4.19Å; I250-F297 HydrophobicContact CD1-CE1 4.48Å; I250-F297 HydrophobicContact CD1-CZ 3.69Å; I250-F297 HydrophobicContact CG1-CZ 4.49Å; I250-F297 HydrophobicContact CG2-CZ 4.15Å; F260-F297 HydrophobicContact CD2-CE1 4.36Å; F260-F297 AromaticContact CE2-CE1 3.99Å; F260-F297 HydrophobicContact CE2-CE1 3.99Å; F274-F297 HydrophobicContact CE1-CD2 4.47Å; F274-F297 HydrophobicContact CE1-CE2 4.02Å; F274-F297 HydrophobicContact CZ-CE2 4.32Å; T295-F297 HydrophobicContact CG2-CD2 3.68Å; T295-F297 HydrophobicContact CG2-CE2 3.44Å; T295-F297 VanDerWaalsContact CG2-CE2 3.44Å; T295-F297 HydrophobicContact CG2-CZ 4.19Å; F297-R299 PolarHBondContact O-N 2.55Å; F297-R299 VanDerWaalsContact O-N 3.1Å; F297-C300 PolarHBondContact O-N 2.88Å
298	N	60.4	Low	63.7	Low	69 Å²	69	78.6 Å²	78.6	37%	0.369	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-66.9	-11.1	-177.9	-72.7	-22	0	0	0	114	H233 S277 D279 N296 C300	H233-N298 PolarHBondContact CE1-OD1 3.02Å; S277-N298 PolarHBondContact O-ND2 2.81Å; D279-N298 PolarHBondContact OD1-ND2 3.06Å; N296-N298 PolarHBondContact O-N 3.44Å; N298-C300 VanDerWaalsContact C-N 3.34Å; N298-C300 PolarHBondContact O-N 3.26Å
299	R	49.2	Very low	60.7	Low	184 Å²	184	80.4 Å²	80.4	69%	0.694	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-77.5	-12.1	177.2	-68.5	-170.2	-179.7	-160.2	0.6	114.7	F297	F297-R299 PolarHBondContact O-N 2.55Å; F297-R299 VanDerWaalsContact O-N 3.1Å
300	C	41.3	Very low	57.8	Low	84 Å²	84	85.2 Å²	85.2	57%	0.568	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-82.8	-13	-174.9	-94.6	0	0	0	0	115.8	F297 N298	F297-C300 PolarHBondContact O-N 2.88Å; N298-C300 VanDerWaalsContact C-N 3.34Å; N298-C300 PolarHBondContact O-N 3.26Å
301	G	36.7	Very low	54.6	Low	55 Å²	55	92.6 Å²	92.6	57%	0.567	50%	0.501	S	S	*	.	S	Bend	trans	-81	-25.6	-175.3	0	0	0	0	0	116.2
302	V	37	Very low	51.4	Low	112 Å²	112	98.5 Å²	98.5	68%	0.679	54%	0.542	S	S	*	.	S	Bend	trans	-91.4	-18.3	-166.7	-178.1	0	0	0	0	113.4
303	K	30.7	Very low	48	Very low	177 Å²	177	103.1 Å²	103.1	77%	0.77	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-9.7	-175.8	-79.4	-171.3	174.7	-174.2	0	115.4
304	M	34.1	Very low	44.9	Very low	170 Å²	170	111.1 Å²	111.1	84%	0.837	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-6.1	-173.8	-70.4	-70.9	-88.6	0	0	114.4
305	T	35.3	Very low	41.9	Very low	120 Å²	120	110 Å²	110	74%	0.736	62%	0.62	S	S	*	*	S	Bend	trans	-111.8	1.5	-176.2	39	0	0	0	0	114.8
306	T	30.2	Very low	38.9	Very low	104 Å²	104	116.8 Å²	116.8	64%	0.638	66%	0.655	S	S	*	*			trans	-126	57	178.2	64.6	0	0	0	0	111.9
307	N	30.5	Very low	36.2	Very low	150 Å²	150	125.8 Å²	125.8	80%	0.802	69%	0.689	S	S	*	*			trans	-114.9	97.6	157.1	-79.7	-10.7	0	0	0	107.5
308	T	30.3	Very low	33.6	Very low	117 Å²	117	131.7 Å²	131.7	72%	0.718	73%	0.725	S	S	*	*			trans	-55.2	133.6	160.5	40.6	0	0	0	0	108.9	D310	T308-D310 PolarHBondContact O-N 3.23Å; T308-D310 VanDerWaalsContact O-N 3.08Å
309	P	34.3	Very low	32.1	Very low	127 Å²	127	135.1 Å²	135.1	83%	0.825	75%	0.749	S	S	*	*			trans	-83	91.4	-176.9	33.3	-30.1	0	0	0	108.9
310	D	33.1	Very low	31.4	Very low	139 Å²	139	131.8 Å²	131.8	74%	0.743	75%	0.754	S	S	*	*			trans	-110.3	107.9	166.8	-81.8	-33	0	0	0	110.3	T308	T308-D310 PolarHBondContact O-N 3.23Å; T308-D310 VanDerWaalsContact O-N 3.08Å
311	N	29.3	Very low	30.9	Very low	155 Å²	155	135 Å²	135	83%	0.829	77%	0.765	S	S	*	*			trans	20.4	101.4	148.5	-77.9	-26	0	0	0	117.5
312	C	29.6	Very low	30.7	Very low	132 Å²	132	137.6 Å²	137.6	89%	0.892	77%	0.772	S	S	*	*			trans	-149.4	108.8	138.5	-95	0	0	0	0	109.4
313	S	25.5	Very low	30.6	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	78%	0.782	S	S	*	*			trans	-55.4	135.5	163.9	48.5	0	0	0	0	111.1
314	H	30.5	Very low	30.7	Very low	182 Å²	182	135 Å²	135	84%	0.843	78%	0.78	S	S	*	*				-176.2	144.4	127.8	-81.4	-49.4	0	0	0	110.1
315	P	30.7	Very low	30.6	Very low	103 Å²	103	132.6 Å²	132.6	67%	0.669	78%	0.779	S	S	*	*			trans	-88.3	159.1	-155.6	34.8	-36	0	0	0	115.7
316	I	25.7	Very low	30.3	Very low	150 Å²	150	134.9 Å²	134.9	77%	0.769	79%	0.786	S	S	*	*			trans	-68.6	139.4	175.4	-63	164.4	0	0	0	111.2	T318	I316-T318 HydrophobicContact CG2-CG2 4.24Å
317	Y	27.4	Very low	30.3	Very low	213 Å²	213	135.2 Å²	135.2	84%	0.835	79%	0.792	S	S	*	*			trans	-115.7	118.2	157.4	-76	-80.9	0	0	0	110
318	T	23.4	Very low	30.2	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	80%	0.796	S	S	*	*			trans	-90.7	139.6	163	43.4	0	0	0	0	108.7	I316	I316-T318 HydrophobicContact CG2-CG2 4.24Å
319	T	30.1	Very low	30.1	Very low	141 Å²	141	141 Å²	141	87%	0.865	80%	0.801	S	S	*	*			trans	-132.1	136.3	160	57.3	0	0	0	0	109.8
320	S	33.5	Very low	29.9	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	81%	0.805	S	S	*	*			trans	-83.6	151	-168.3	46	0	0	0	0	113.6
321	N	30.6	Very low	29.7	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	81%	0.807	S	S	*	*			trans	-54.7	165.4	166.6	-62.2	-15.2	0	0	0	112.5
322	P	33.7	Very low	29.7	Very low	109 Å²	109	142 Å²	142	71%	0.708	80%	0.797	S	S	*	*				-146.3	169.6	99.5	36.1	-18.3	0	0	0	115.4
323	D	34	Very low	29.7	Very low	165 Å²	165	144.4 Å²	144.4	88%	0.882	80%	0.795	S	S	*	*			trans	91.5	118.1	161.9	-57.7	-19.6	0	0	0	120
324	G	32.4	Very low	29.9	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	79%	0.787	S	S	*	*			trans	129.8	86.4	148.9	0	0	0	0	0	117.5
325	S	32.6	Very low	29.8	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	78%	0.779	S	S	*	*			trans	59.4	99.1	150.9	62.7	0	0	0	0	120.8
326	I	29.4	Very low	29.9	Very low	169 Å²	169	140.5 Å²	140.5	87%	0.867	77%	0.772	S	S	*	*			trans	5.1	111.5	139.5	-55.3	159	0	0	0	117.4
327	S	30.4	Very low	30.2	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	77%	0.773	S	S	*	*			trans	-142.6	127.4	133.2	60.4	0	0	0	0	108.9	D329	S327-D329 PolarHBondContact O-N 3.2Å
328	R	26.7	Very low	30.4	Very low	235 Å²	235	137.7 Å²	137.7	89%	0.887	77%	0.767	S	S	*	*			trans	-85.8	103.6	-178.2	-78.6	176.5	171.5	156.4	-2.4	108.9
329	D	29.5	Very low	31	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	75%	0.753	S	S	*	*			trans	-118.6	111.5	156.2	-83.1	-35.9	0	0	0	109.2	S327 S331	S327-D329 PolarHBondContact O-N 3.2Å; D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.08Å
330	K	29.1	Very low	30.8	Very low	209 Å²	209	134.1 Å²	134.1	91%	0.909	74%	0.744	S	S	*	*			trans	-73.3	93.6	173.4	-74.8	-179.8	175.3	178.9	0	108.2	I332	K330-I332 PolarHBondContact O-N 2.9Å
331	S	30.2	Very low	30.7	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	75%	0.746	S	S	*	*			trans	-72.4	114.5	163.4	51.4	0	0	0	0	109.1	D329 Q333	D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.08Å; S331-Q333 PolarHBondContact O-N 2.99Å
332	I	29.5	Very low	30.6	Very low	122 Å²	122	138.9 Å²	138.9	63%	0.626	75%	0.75	S	S	*	*			trans	-80.8	111.3	173	-64.2	172	0	0	0	106.9	K330 I334	K330-I332 PolarHBondContact O-N 2.9Å; I332-I334 HydrophobicContact CG2-CG1 4.35Å; I332-I334 PolarHBondContact O-N 3.2Å
333	Q	28	Very low	30.5	Very low	182 Å²	182	139 Å²	139	85%	0.85	75%	0.753	S	S	*	*			trans	-65.9	114.5	165.7	-75.5	-179.1	-19	0	0	108.7	S331	S331-Q333 PolarHBondContact O-N 2.99Å
334	I	30.7	Very low	30.2	Very low	96 Å²	96	138.6 Å²	138.6	49%	0.492	75%	0.751	S	S	.	*			trans	-90	114.9	169.5	-60.9	177.2	0	0	0	107	L217 I332 S336	L217-I334 HydrophobicContact CD2-CD1 3.79Å; I332-I334 HydrophobicContact CG2-CG1 4.35Å; I332-I334 PolarHBondContact O-N 3.2Å; I334-S336 PolarHBondContact O-N 2.75Å; I334-S336 VanDerWaalsContact O-N 3.15Å
335	N	27.3	Very low	30.3	Very low	126 Å²	126	140.9 Å²	140.9	67%	0.674	75%	0.753	S	S	*	*			trans	-56.8	118.4	170.3	-83.1	-9.7	0	0	0	109.6	H337	N335-H337 PolarHBondContact O-N 2.87Å
336	S	33.4	Very low	30.2	Very low	76 Å²	76	144.5 Å²	144.5	53%	0.531	76%	0.757	S	S	.	*	G	3₁₀ helix	trans	-68.8	10.1	-173.4	47	0	0	0	0	115.6	I334 L338	I334-S336 PolarHBondContact O-N 2.75Å; I334-S336 VanDerWaalsContact O-N 3.15Å; S336-L338 PolarHBondContact O-N 2.93Å
337	H	32.2	Very low	30	Very low	170 Å²	170	143 Å²	143	79%	0.787	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-84.5	-4.1	-178.1	-79.6	-67.1	0	0	0	115.3	N335	N335-H337 PolarHBondContact O-N 2.87Å
338	L	32.7	Very low	29.8	Very low	134 Å²	134	144.4 Å²	144.4	70%	0.702	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-95.7	5.3	-176.3	-78.1	155.3	0	0	0	114.5	S336	S336-L338 PolarHBondContact O-N 2.93Å
339	L	34.2	Very low	29.6	Very low	93 Å²	93	138.7 Å²	138.7	49%	0.487	76%	0.756	S	S	.	*	S	Bend	trans	-95.5	5.9	-176.9	-82.4	147.2	0	0	0	114.6
340	C	26.6	Very low	29.5	Very low	100 Å²	100	137 Å²	137	68%	0.676	76%	0.756	S	S	*	*	S	Bend	trans	-118.2	132.9	176.7	-61.6	0	0	0	0	111	R342	C340-R342 PolarHBondContact O-N 2.8Å
341	P	30.8	Very low	29.3	Very low	131 Å²	131	136.1 Å²	136.1	85%	0.851	76%	0.755	S	S	*	*			trans	-69.4	112.9	162.7	28.9	-28	0	0	0	107.7	S343	P341-S343 PolarHBondContact O-N 3.01Å
342	R	28.8	Very low	29.2	Very low	235 Å²	235	140 Å²	140	89%	0.887	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-73.9	120.7	162.7	-89.6	-177.4	170.2	169.6	-2.8	107.6	C340	C340-R342 PolarHBondContact O-N 2.8Å
343	S	31.5	Very low	29	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.1	122	161.9	52.8	0	0	0	0	109.2	P341	P341-S343 PolarHBondContact O-N 3.01Å
344	D	29	Very low	29.1	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-63.9	138	172	-76.5	-36.5	0	0	0	111.2
345	P	34	Very low	29	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.6	146	174.1	32.4	-31.2	0	0	0	111.4
346	Q	29.2	Very low	28.9	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-55.7	140.2	179.5	-77.3	-175.8	-28.9	0	0	114
347	V	25.7	Very low	28.5	Very low	136 Å²	136	150.6 Å²	150.6	82%	0.824	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.7	131.3	172.4	176.6	0	0	0	0	111.5
348	T	26.7	Very low	28	Very low	141 Å²	141	151.4 Å²	151.4	87%	0.865	81%	0.809	S	S	*	*			trans	-122.8	128.1	153.2	37.4	0	0	0	0	108.4
349	S	22.9	Very low	27.9	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	82%	0.815	S	S	*	*			trans	-76.8	133.6	-176	48.1	0	0	0	0	112.5
350	S	27.5	Very low	27.3	Very low	119 Å²	119	153.7 Å²	153.7	83%	0.832	83%	0.829	S	S	*	*			trans	-156.6	131.8	143	66.6	0	0	0	0	110.6
351	E	24.1	Very low	27.4	Very low	189 Å²	189	158.8 Å²	158.8	88%	0.883	84%	0.84	S	S	*	*			trans	-60.7	146.9	-175	-59.4	165.1	138.7	0	0	114
352	M	27.7	Very low	27.2	Very low	194 Å²	194	157.1 Å²	157.1	96%	0.956	84%	0.837	S	S	*	*			trans	-169.3	135.5	132.1	-105.6	-177	159.5	0	0	112.2
353	H	27	Very low	27	Very low	187 Å²	187	152.6 Å²	152.6	87%	0.866	84%	0.836	S	S	*	*			trans	-61.5	145.5	-178.7	-83.4	-95.6	0	0	0	115.1
354	E	30	Very low	26.8	Very low	165 Å²	165	153 Å²	153	77%	0.771	84%	0.839	S	S	*	*				178.8	139.1	107.9	-116.4	-174.4	140.4	0	0	115.8
355	K	28.4	Very low	26.6	Very low	179 Å²	179	154.7 Å²	154.7	78%	0.778	84%	0.841	S	S	*	*			trans	15.3	119.5	156.1	-74.5	168	178.9	162.4	0	124.3
356	A	23.7	Very low	26.3	Very low	92 Å²	92	155.5 Å²	155.5	76%	0.76	85%	0.845	S	S	*	*				31.4	125.9	121.9	0	0	0	0	0	122.6
357	E	26.2	Very low	26.1	Very low	201 Å²	201	150.9 Å²	150.9	94%	0.939	84%	0.839	S	S	*	*				-173.5	142.2	122.4	-102	173.1	-169.1	0	0	112
358	K	22.1	Very low	26.3	Very low	187 Å²	187	150.1 Å²	150.1	81%	0.813	84%	0.835	S	S	*	*			trans	-106.7	154.6	171.4	-94.3	-178.6	176	178.3	0	108.5
359	P	29.5	Very low	26.1	Very low	128 Å²	128	150.2 Å²	150.2	83%	0.831	83%	0.83	S	S	*	*				-147.6	158.3	113.8	29.5	-9.5	0	0	0	116.5
360	L	21.3	Very low	26.3	Very low	148 Å²	148	154.3 Å²	154.3	78%	0.775	83%	0.834	S	S	*	*			trans	-83.5	150.6	166.5	-78.6	90.7	0	0	0	111.4
361	F	29.1	Very low	26.2	Very low	207 Å²	207	156.4 Å²	156.4	91%	0.908	83%	0.83	S	S	*	*			trans	-163.4	115.9	142.8	-92.5	-78.1	0	0	0	107.2
362	A	26.9	Very low	26.4	Very low	95 Å²	95	155.1 Å²	155.1	79%	0.785	82%	0.824	S	S	*	*				82.8	139.6	80.4	0	0	0	0	0	115
363	T	24.2	Very low	26.5	Very low	141 Å²	141	151.8 Å²	151.8	87%	0.865	82%	0.815	S	S	*	*			trans	-81.9	156.5	-160.5	45.6	0	0	0	0	116.8
364	S	28.1	Very low	26.4	Very low	121 Å²	121	148.7 Å²	148.7	85%	0.846	81%	0.809	S	S	*	*			trans	-155.6	128.4	145	67.7	0	0	0	0	112.9
365	E	24.9	Very low	26.4	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	81%	0.811	S	S	*	*			trans	-73.2	148.9	170.5	-58.6	171	147.4	0	0	111.8
366	T	28.3	Very low	26.4	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	81%	0.81	S	S	*	*			trans	-156.7	118.2	144.9	47.6	0	0	0	0	110.1
367	A	24.9	Very low	26.5	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	81%	0.81	S	S	*	*			trans	-80	152.1	167	0	0	0	0	0	111.1
368	V	29.1	Very low	26.7	Very low	120 Å²	120	141.1 Å²	141.1	73%	0.727	81%	0.807	S	S	*	*			trans	-137.4	112.2	163.9	-170.9	0	0	0	0	108.4	F370	V368-F370 HydrophobicContact CG1-CD2 4.2Å; V368-F370 HydrophobicContact CG1-CE2 4.04Å
369	D	22.7	Very low	26.9	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	81%	0.807	S	S	*	*			trans	-79.6	144	167.4	-77.8	-40.3	0	0	0	110.5
370	F	27.7	Very low	26.8	Very low	202 Å²	202	142.1 Å²	142.1	89%	0.886	81%	0.808	S	S	*	*			trans	-129.3	122.6	157.3	-94.2	-82.8	0	0	0	109.7	V368	V368-F370 HydrophobicContact CG1-CD2 4.2Å; V368-F370 HydrophobicContact CG1-CE2 4.04Å
371	H	25.1	Very low	27	Very low	162 Å²	162	140 Å²	140	75%	0.75	80%	0.803	S	S	*	*			trans	-107.5	159.1	-176.2	-121.7	-82.5	0	0	0	110.4
372	E	28.1	Very low	26.8	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	80%	0.799	S	S	*	*			trans	77.3	143.9	157.1	-68.6	-175.4	160.5	0	0	118.5
373	T	29.3	Very low	26.7	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	80%	0.8	S	S	*	*			cis	-159.4	157.2	9.5	10.2	0	0	0	0	110.1
374	T	24.9	Very low	26.8	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	79%	0.791	S	S	*	*			trans	-68.3	147.7	-177.4	47.6	0	0	0	0	115.3
375	N	29.5	Very low	26.6	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	79%	0.786	S	S	*	*			trans	-159.9	120.7	132.7	-109.1	-14.4	0	0	0	115.1
376	S	29.3	Very low	26.5	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	77%	0.774	S	S	*	*			trans	44	120.5	139.6	65.5	0	0	0	0	122
377	G	26.3	Very low	26.4	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	76%	0.756	S	S	*	*				101.6	101.2	121.2	0	0	0	0	0	117
378	V	29.6	Very low	26.5	Very low	145 Å²	145	131.1 Å²	131.1	88%	0.879	75%	0.748	S	S	*	*				156	122	126.2	165.7	0	0	0	0	109
379	Q	26.1	Very low	26.7	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	73%	0.732	S	S	*	*			trans	-62.6	139.1	172.3	-64.9	169	-17.1	0	0	110.6
380	N	26.6	Very low	26.8	Very low	158 Å²	158	128 Å²	128	85%	0.845	73%	0.73	S	S	*	*			trans	-174.2	153.7	139.1	-94.5	-20.3	0	0	0	112.6
381	P	25.8	Very low	27	Very low	103 Å²	103	123.2 Å²	123.2	67%	0.669	72%	0.719	S	S	*	*			trans	-95.6	162.2	-134	35.4	-35.7	0	0	0	114.9	T383	P381-T383 PolarHBondContact O-N 2.73Å
382	A	24.5	Very low	27.2	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	72%	0.722	S	S	*	*			trans	-51.4	104.1	170.2	0	0	0	0	0	112.4	S384	A382-S384 PolarHBondContact O-N 3.32Å
383	T	25.5	Very low	27.1	Very low	130 Å²	130	122.5 Å²	122.5	80%	0.798	72%	0.723	S	S	*	*			trans	-85.1	87.4	163.9	42.5	0	0	0	0	108.9	P381 V385	P381-T383 PolarHBondContact O-N 2.73Å; T383-V385 PolarHBondContact O-N 3.31Å
384	S	25.5	Very low	27.1	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	73%	0.731	S	S	*	*			trans	-68	113.3	159.2	58	0	0	0	0	108.3	A382 K386	A382-S384 PolarHBondContact O-N 3.32Å; S384-K386 VanDerWaalsContact C-N 3.28Å; S384-K386 PolarHBondContact O-N 2.88Å
385	V	25.1	Very low	27	Very low	120 Å²	120	128 Å²	128	73%	0.727	73%	0.729	S	S	*	*			trans	-71.5	92	169.4	179.4	0	0	0	0	107	T383 C387	T383-V385 PolarHBondContact O-N 3.31Å; V385-C387 PolarHBondContact O-N 3.4Å; V385-C387 VanDerWaalsContact O-N 3.09Å
386	K	23.6	Very low	27	Very low	148 Å²	148	129.6 Å²	129.6	64%	0.643	73%	0.731	S	S	*	*			trans	-61.7	106.1	165.8	-95.4	159.3	138.9	-167.5	0	108.2	S384 H388	S384-K386 VanDerWaalsContact C-N 3.28Å; S384-K386 PolarHBondContact O-N 2.88Å; K386-H388 VanDerWaalsContact CB-CD2 3.42Å; K386-H388 WeakPolarHBondContact CB-CD2 3.47Å; K386-H388 WeakPolarHBondContact CD-NE2 3.36Å; K386-H388 VanDerWaalsContact CE-NE2 3.34Å; K386-H388 WeakPolarHBondContact CE-NE2 3.27Å; K386-H388 PolarHBondContact NZ-NE2 3.29Å; K386-H388 PolarHBondContact O-N 3.47Å
387	C	26.1	Very low	26.8	Very low	70 Å²	70	130.3 Å²	130.3	47%	0.473	74%	0.736	S	S	.	*			trans	-69.4	82.2	161.4	-34.3	0	0	0	0	107.1	V385 F389	V385-C387 PolarHBondContact O-N 3.4Å; V385-C387 VanDerWaalsContact O-N 3.09Å; C387-F389 PolarHBondContact O-N 2.57Å
388	H	26.2	Very low	26.9	Very low	135 Å²	135	130.6 Å²	130.6	63%	0.625	74%	0.739	S	S	*	*			trans	-75.7	98.9	176	-88.6	-68.6	0	0	0	109.1	K386	K386-H388 VanDerWaalsContact CB-CD2 3.42Å; K386-H388 WeakPolarHBondContact CB-CD2 3.47Å; K386-H388 WeakPolarHBondContact CD-NE2 3.36Å; K386-H388 VanDerWaalsContact CE-NE2 3.34Å; K386-H388 WeakPolarHBondContact CE-NE2 3.27Å; K386-H388 PolarHBondContact NZ-NE2 3.29Å; K386-H388 PolarHBondContact O-N 3.47Å
389	F	33.5	Very low	26.7	Very low	87 Å²	87	129.5 Å²	129.5	38%	0.382	73%	0.733	S	S	.	*			trans	-73.1	120	153.8	-63.5	-83.1	0	0	0	107.2	M34 C387	M34-F389 HydrophobicContact CE-CB 4.46Å; M34-F389 HydrophobicContact CE-CG 4.44Å; C387-F389 PolarHBondContact O-N 2.57Å
390	P	25.2	Very low	26.8	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	73%	0.732	S	S	*	*			trans	-70.6	133.2	-178.8	28.1	-31.7	0	0	0	110.2
391	P	30.4	Very low	26.8	Very low	101 Å²	101	126 Å²	126	66%	0.656	73%	0.726	S	S	*	*			trans	-86.1	114.7	171.3	31.7	-27.4	0	0	0	109.9	F393	P391-F393 HydrophobicContact CB-CD2 4.22Å; P391-F393 HydrophobicContact CB-CE2 4.07Å; P391-F393 HydrophobicContact CG-CD2 4.5Å; P391-F393 HydrophobicContact CG-CE2 4.26Å; P391-F393 PolarHBondContact O-N 3.31Å
392	T	30.3	Very low	26.8	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	73%	0.731	S	S	*	*			trans	-79.8	100.4	162.5	31.2	0	0	0	0	108.9
393	F	26.3	Very low	26.9	Very low	177 Å²	177	130.6 Å²	130.6	78%	0.776	74%	0.736	S	S	*	*			trans	-77	125.3	169.2	-84.5	-89.5	0	0	0	110.3	P391	P391-F393 HydrophobicContact CB-CD2 4.22Å; P391-F393 HydrophobicContact CB-CE2 4.07Å; P391-F393 HydrophobicContact CG-CD2 4.5Å; P391-F393 HydrophobicContact CG-CE2 4.26Å; P391-F393 PolarHBondContact O-N 3.31Å
394	R	27.9	Very low	26.8	Very low	244 Å²	244	130.8 Å²	130.8	92%	0.921	74%	0.737	S	S	*	*			trans	-123.4	112.9	149.8	-84.8	-171.2	178.3	-179.9	1.1	109
395	T	23.3	Very low	26.9	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.724	75%	0.745	S	S	*	*			trans	-73.3	126.9	174.2	48.4	0	0	0	0	110.3
396	H	30.9	Very low	27	Very low	186 Å²	186	133.1 Å²	133.1	86%	0.861	74%	0.743	S	S	*	*			trans	-137.9	121.6	150.1	-87.7	-72.1	0	0	0	110.1
397	S	24.2	Very low	27.3	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	76%	0.756	S	S	*	*			trans	-65.4	135.8	172.8	53.2	0	0	0	0	111.6
398	G	28.9	Very low	27.6	Very low	79 Å²	79	137 Å²	137	81%	0.814	77%	0.77	S	S	*	*			trans	-162.5	112.7	173.5	0	0	0	0	0	110.9
399	V	25.2	Very low	27.5	Very low	123 Å²	123	135.7 Å²	135.7	75%	0.745	78%	0.776	S	S	*	*			trans	-87.9	134.6	-166.7	161.8	0	0	0	0	111.5
400	I	27.4	Very low	27.5	Very low	157 Å²	157	138.6 Å²	138.6	81%	0.805	80%	0.795	S	S	*	*			trans	67.6	137.8	150.9	-62.3	168.7	0	0	0	116.1
401	S	27.1	Very low	27.7	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	80%	0.802	S	S	*	*			cis	-152.7	147	41.3	38.4	0	0	0	0	113.3
402	S	24.6	Very low	27.7	Very low	111 Å²	111	142.1 Å²	142.1	78%	0.776	81%	0.807	S	S	*	*			trans	-79.4	132	169.1	52.1	0	0	0	0	111.5
403	M	26.6	Very low	27.5	Very low	188 Å²	188	144.5 Å²	144.5	93%	0.926	81%	0.807	S	S	*	*			trans	-124.5	109.8	154.3	-73.8	-150.9	169.8	0	0	109.4
404	T	24.8	Very low	27.6	Very low	134 Å²	134	142.7 Å²	142.7	82%	0.822	80%	0.804	S	S	*	*			trans	-82.4	128.5	166.5	33.9	0	0	0	0	109.1
405	L	28.1	Very low	27.7	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	80%	0.799	S	S	*	*			trans	-117.5	129.4	161.7	-78.7	168.7	0	0	0	108.7
406	P	25.7	Very low	27.9	Very low	104 Å²	104	137.6 Å²	137.6	68%	0.675	80%	0.797	S	S	*	*			trans	-89.7	134	172.7	34.5	-26.9	0	0	0	108.9
407	L	30	Very low	27.9	Very low	176 Å²	176	135.8 Å²	135.8	92%	0.921	79%	0.794	S	S	*	*			trans	-136.5	101.2	152.4	-96	110	0	0	0	109.3
408	T	32.3	Very low	28.2	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	78%	0.783	S	S	*	*			trans	-69.4	131.3	171.5	45.3	0	0	0	0	110.5
409	S	25.5	Very low	28.4	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	79%	0.785	S	S	*	*			trans	-54.6	133.5	156.4	52.7	0	0	0	0	110.9
410	N	32.1	Very low	28.7	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	79%	0.786	S	S	*	*			trans	-161	110.3	152.9	-97.5	-20.6	0	0	0	110.1
411	V	29	Very low	28.9	Very low	145 Å²	145	137.3 Å²	137.3	88%	0.879	79%	0.788	S	S	*	*			trans	-120	102.8	154.3	-175.1	0	0	0	0	105.1
412	N	31.3	Very low	29.1	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	80%	0.797	S	S	*	*			trans	-151.6	111	162.4	-93.9	-22.2	0	0	0	108.7
413	F	26.5	Very low	29.3	Very low	183 Å²	183	134.5 Å²	134.5	80%	0.803	79%	0.793	S	S	*	*			trans	34.3	130.5	138.1	-82.4	-85	0	0	0	121.6
414	L	28.5	Very low	29.7	Very low	139 Å²	139	134.2 Å²	134.2	73%	0.728	79%	0.794	S	S	*	*			trans	94.7	106.4	142.6	-65.4	159.1	0	0	0	119.6
415	Q	28.8	Very low	29.9	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	80%	0.797	S	S	*	*				80.1	107.5	115.9	-149.9	165.9	12.4	0	0	119.5
416	A	27.9	Very low	30.1	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	79%	0.793	S	S	*	*			trans	76.4	128.3	136.5	0	0	0	0	0	121.5
417	N	31.2	Very low	30.3	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	80%	0.798	S	S	*	*			trans	89.2	93.7	143.6	-73.7	-7.8	0	0	0	121.3
418	S	31.1	Very low	30.4	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	79%	0.794	S	S	*	*				80.1	124.2	108.9	76.8	0	0	0	0	120.9
419	K	32.2	Very low	30.7	Very low	194 Å²	194	142 Å²	142	84%	0.843	80%	0.797	S	S	*	*			trans	71.5	133.5	147.3	-67	175.9	179.7	-178.9	0	115.3
420	T	32.7	Very low	31.3	Very low	125 Å²	125	145 Å²	145	77%	0.767	81%	0.805	S	S	*	*			cis	-173.2	127	16.3	12.1	0	0	0	0	105.1
421	A	30.5	Very low	32.2	Very low	103 Å²	103	142.2 Å²	142.2	85%	0.851	79%	0.793	S	S	*	*				87.4	127.5	104	0	0	0	0	0	116.9
422	G	31.9	Very low	33.4	Very low	88 Å²	88	138.3 Å²	138.3	91%	0.907	77%	0.771	S	S	*	*			trans	102.9	114.3	164.1	0	0	0	0	0	113.2
423	G	27.8	Very low	34.7	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	77%	0.766	S	S	*	*			cis	149.1	128.9	10.5	0	0	0	0	0	106.4
424	L	35.6	Very low	36.6	Very low	182 Å²	182	131.6 Å²	131.6	95%	0.953	75%	0.753	S	S	*	*			trans	171.9	106.3	152.2	-94.4	154.6	0	0	0	108.9
425	E	29.8	Very low	37.9	Very low	188 Å²	188	128.2 Å²	128.2	88%	0.879	74%	0.735	S	S	*	*			trans	-74.8	145.7	173.4	-62.9	174.3	146.9	0	0	111.2
426	S	32.2	Very low	39.8	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	71%	0.713	S	S	*	*				-172.3	126	125.1	42	0	0	0	0	112.5
427	E	28.5	Very low	42	Very low	166 Å²	166	122.3 Å²	122.3	78%	0.776	70%	0.704	S	S	*	*			trans	65.1	101.1	148.8	-66.9	-165.3	151.7	0	0	121
428	R	32.3	Very low	44	Very low	225 Å²	225	118.9 Å²	118.9	85%	0.849	69%	0.689	S	S	*	*				170.4	130.5	102	-92	171	-169	-151.7	1.1	114.1
429	Q	39.5	Very low	45.8	Very low	175 Å²	175	117.9 Å²	117.9	82%	0.818	68%	0.676	S	S	*	*			trans	75.1	88.8	156.6	-69.9	176	-18.5	0	0	119	V431	Q429-V431 PolarHBondContact O-N 3.39Å
430	N	38.1	Very low	47.7	Very low	171 Å²	171	115.5 Å²	115.5	91%	0.914	67%	0.668	S	S	*	*			trans	-61.7	105.8	165.1	-85.9	-31.4	0	0	0	111.9
431	V	50.1	Low	49.7	Very low	89 Å²	89	114.8 Å²	114.8	54%	0.539	66%	0.656	S	S	.	*			trans	-83.3	132.6	153.9	178.9	0	0	0	0	107.3	Q429 L435	Q429-V431 PolarHBondContact O-N 3.39Å; V431-L435 HydrophobicContact CG1-CB 3.8Å
432	P	55.2	Low	51.8	Low	63 Å²	63	113.5 Å²	113.5	41%	0.409	63%	0.634	S	S	.	*			trans	-56.9	137.1	179.2	-24.3	33.1	0	0	0	111.4	P434 L435 S436	P432-P434 VanDerWaalsContact C-N 3.3Å; P432-P434 HydrophobicContact CB-CG 4.23Å; P432-P434 VanDerWaalsContact O-N 3.16Å; P432-L435 HydrophobicContact CB-CD1 4.08Å; P432-L435 HydrophobicContact CG-CD1 3.76Å; P432-L435 WeakPolarHBondContact O-CB 3.48Å; P432-L435 PolarHBondContact O-N 2.82Å; P432-S436 PolarHBondContact O-N 2.87Å
433	P	58	Low	53.8	Low	101 Å²	101	113.3 Å²	113.3	66%	0.656	62%	0.615	S	S	*	*	H	α-helix	trans	-55.4	-29.2	-179.3	18.5	-28.2	0	0	0	115.9	L435 S436 T437	P433-L435 VanDerWaalsContact C-N 3.28Å; P433-L435 PolarHBondContact O-N 3.26Å; P433-S436 PolarHBondContact O-OG 2.83Å; P433-S436 VanDerWaalsContact O-OG 3.09Å; P433-T437 WeakPolarHBondContact O-CG2 3.36Å; P433-T437 PolarHBondContact O-OG1 3.5Å
434	P	65.8	Low	55.9	Low	83 Å²	83	112.6 Å²	112.6	54%	0.539	60%	0.599	S	S	.	*	H	α-helix	trans	-71.3	-20.8	172.4	26.2	-34.2	0	0	0	113.6	P432 T437 T438	P432-P434 VanDerWaalsContact C-N 3.3Å; P432-P434 HydrophobicContact CB-CG 4.23Å; P432-P434 VanDerWaalsContact O-N 3.16Å; P434-T437 PolarHBondContact O-OG1 2.81Å; P434-T438 WeakPolarHBondContact O-CB 3.27Å; P434-T438 PolarHBondContact O-N 2.76Å; P434-T438 PolarHBondContact O-OG1 2.93Å
435	L	57.6	Low	57.5	Low	68 Å²	68	108.5 Å²	108.5	36%	0.356	58%	0.575	S	S	.	*	H	α-helix	trans	-82.8	-34.6	179.3	-85.1	155.6	0	0	0	112.4	V431 P432 P433 T438 L439 M478	V431-L435 HydrophobicContact CG1-CB 3.8Å; P432-L435 HydrophobicContact CB-CD1 4.08Å; P432-L435 HydrophobicContact CG-CD1 3.76Å; P432-L435 WeakPolarHBondContact O-CB 3.48Å; P432-L435 PolarHBondContact O-N 2.82Å; P433-L435 VanDerWaalsContact C-N 3.28Å; P433-L435 PolarHBondContact O-N 3.26Å; L435-T438 PolarHBondContact O-N 2.91Å; L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 WeakPolarHBondContact O-CG 3.34Å; L435-L439 PolarHBondContact O-N 2.91Å; L435-M478 HydrophobicContact CD1-CE 3.95Å
436	S	68.4	Low	59.3	Low	48 Å²	48	102 Å²	102	34%	0.336	55%	0.546	S	S	.	.	H	α-helix	trans	-66.5	-41.8	174.9	60.4	0	0	0	0	111.5	P432 P433 T438 L439 E440	P432-S436 PolarHBondContact O-N 2.87Å; P433-S436 PolarHBondContact O-OG 2.83Å; P433-S436 VanDerWaalsContact O-OG 3.09Å; S436-T438 VanDerWaalsContact C-N 3.34Å; S436-T438 PolarHBondContact O-N 2.85Å; S436-L439 PolarHBondContact O-N 3.39Å; S436-E440 WeakPolarHBondContact O-CG 3.22Å; S436-E440 PolarHBondContact O-N 3.48Å
437	T	72.8	Confident	60.9	Low	82 Å²	82	101.5 Å²	101.5	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-36.8	176.2	55.4	0	0	0	0	112.1	P433 P434 H441	P433-T437 WeakPolarHBondContact O-CG2 3.36Å; P433-T437 PolarHBondContact O-OG1 3.5Å; P434-T437 PolarHBondContact O-OG1 2.81Å; T437-H441 WeakPolarHBondContact O-CB 3.46Å; T437-H441 PolarHBondContact O-N 3.44Å
438	T	73.5	Confident	62.6	Low	77 Å²	77	98 Å²	98	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-41.5	175.4	-51.7	0	0	0	0	111.3	P434 L435 S436 H441 I442	P434-T438 WeakPolarHBondContact O-CB 3.27Å; P434-T438 PolarHBondContact O-N 2.76Å; P434-T438 PolarHBondContact O-OG1 2.93Å; L435-T438 PolarHBondContact O-N 2.91Å; S436-T438 VanDerWaalsContact C-N 3.34Å; S436-T438 PolarHBondContact O-N 2.85Å; T438-H441 PolarHBondContact O-N 2.77Å; T438-I442 HydrophobicContact CG2-CD1 4.09Å; T438-I442 WeakPolarHBondContact O-CD1 3.1Å; T438-I442 VanDerWaalsContact O-CG1 3.25Å; T438-I442 WeakPolarHBondContact O-CG1 3.25Å; T438-I442 PolarHBondContact O-N 3.02Å
439	L	69.5	Low	63.6	Low	70 Å²	70	92.5 Å²	92.5	37%	0.366	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-44	176.4	-83.7	163.3	0	0	0	112.3	L435 S436 H441 I442 V443	L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 WeakPolarHBondContact O-CG 3.34Å; L435-L439 PolarHBondContact O-N 2.91Å; S436-L439 PolarHBondContact O-N 3.39Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 2.86Å; L439-I442 PolarHBondContact O-N 3.1Å; L439-V443 VanDerWaalsContact O-CG2 3.31Å; L439-V443 WeakPolarHBondContact O-CG2 3.42Å; L439-V443 PolarHBondContact O-N 3.43Å
440	E	72.3	Confident	64.5	Low	144 Å²	144	87.8 Å²	87.8	67%	0.673	49%	0.491	S	S	*	.	H	α-helix	trans	-62.8	-37.7	175.4	-75.4	-177.2	-175.7	0	0	112	S436 V443 S444	S436-E440 WeakPolarHBondContact O-CG 3.22Å; S436-E440 PolarHBondContact O-N 3.48Å; E440-V443 PolarHBondContact O-N 3.03Å; E440-S444 PolarHBondContact O-N 3.26Å
441	H	74.7	Confident	65.4	Low	109 Å²	109	87.1 Å²	87.1	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-67.3	-38.4	175.3	-164.4	69.1	0	0	0	112.4	T437 T438 L439 S444 Q445	T437-H441 WeakPolarHBondContact O-CB 3.46Å; T437-H441 PolarHBondContact O-N 3.44Å; T438-H441 PolarHBondContact O-N 2.77Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 2.86Å; H441-S444 PolarHBondContact O-N 3.3Å; H441-S444 PolarHBondContact O-OG 2.93Å; H441-Q445 PolarHBondContact NE2-NE2 2.59Å; H441-Q445 WeakPolarHBondContact O-CB 3.41Å; H441-Q445 WeakPolarHBondContact O-CG 2.95Å; H441-Q445 PolarHBondContact O-N 3.09Å
442	I	74.4	Confident	65.7	Low	77 Å²	77	90.5 Å²	90.5	40%	0.395	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.4	-69.6	164.2	0	0	0	110.7	T438 L439 Q445 L446	T438-I442 HydrophobicContact CG2-CD1 4.09Å; T438-I442 WeakPolarHBondContact O-CD1 3.1Å; T438-I442 VanDerWaalsContact O-CG1 3.25Å; T438-I442 WeakPolarHBondContact O-CG1 3.25Å; T438-I442 PolarHBondContact O-N 3.02Å; L439-I442 PolarHBondContact O-N 3.1Å; I442-Q445 PolarHBondContact O-N 2.94Å; I442-L446 HydrophobicContact CG2-CD1 3.91Å; I442-L446 VanDerWaalsContact O-CG 3.29Å; I442-L446 WeakPolarHBondContact O-CG 3.46Å; I442-L446 PolarHBondContact O-N 3.31Å
443	V	74.3	Confident	65.3	Low	84 Å²	84	90 Å²	90	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.7	172.6	0	0	0	0	111	L439 E440 L446 D447	L439-V443 VanDerWaalsContact O-CG2 3.31Å; L439-V443 WeakPolarHBondContact O-CG2 3.42Å; L439-V443 PolarHBondContact O-N 3.43Å; E440-V443 PolarHBondContact O-N 3.03Å; V443-L446 PolarHBondContact O-N 3.02Å; V443-D447 PolarHBondContact O-N 3.2Å
444	S	71.9	Confident	64.7	Low	52 Å²	52	94.6 Å²	94.6	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-68.3	-36	178.3	82.7	0	0	0	0	113.2	E440 H441 L446 D447 I448	E440-S444 PolarHBondContact O-N 3.26Å; H441-S444 PolarHBondContact O-N 3.3Å; H441-S444 PolarHBondContact O-OG 2.93Å; S444-L446 VanDerWaalsContact C-N 3.33Å; S444-D447 PolarHBondContact O-N 3.29Å; S444-I448 WeakPolarHBondContact O-CG1 3.25Å; S444-I448 PolarHBondContact O-N 3.37Å
445	Q	69.2	Low	63.7	Low	96 Å²	96	98 Å²	98	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-36.4	173.9	-70	-84.5	-10.7	0	0	111.7	H441 I442 I448 L449	H441-Q445 PolarHBondContact NE2-NE2 2.59Å; H441-Q445 WeakPolarHBondContact O-CB 3.41Å; H441-Q445 WeakPolarHBondContact O-CG 2.95Å; H441-Q445 PolarHBondContact O-N 3.09Å; I442-Q445 PolarHBondContact O-N 2.94Å; Q445-I448 PolarHBondContact O-N 2.96Å; Q445-L449 PolarHBondContact O-N 2.91Å
446	L	66.4	Low	63.5	Low	53 Å²	53	99.7 Å²	99.7	28%	0.277	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-37.4	175.7	-73.8	166.5	0	0	0	112.5	I442 V443 S444 I448 L449 T450 I467	I442-L446 HydrophobicContact CG2-CD1 3.91Å; I442-L446 VanDerWaalsContact O-CG 3.29Å; I442-L446 WeakPolarHBondContact O-CG 3.46Å; I442-L446 PolarHBondContact O-N 3.31Å; V443-L446 PolarHBondContact O-N 3.02Å; S444-L446 VanDerWaalsContact C-N 3.33Å; L446-I448 VanDerWaalsContact C-N 3.33Å; L446-I448 PolarHBondContact O-N 3.43Å; L446-L449 PolarHBondContact O-N 3.39Å; L446-T450 WeakPolarHBondContact O-CG2 3.18Å; L446-T450 PolarHBondContact O-N 3.36Å; L446-T450 VanDerWaalsContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 3.02Å; L446-I467 HydrophobicContact CD1-CG2 4.35Å; L446-I467 HydrophobicContact CD2-CD1 3.71Å
447	D	65.6	Low	63.1	Low	99 Å²	99	105.4 Å²	105.4	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-35	174.3	-86.3	-12.7	0	0	0	112.4	V443 S444 T450 Q451	V443-D447 PolarHBondContact O-N 3.2Å; S444-D447 PolarHBondContact O-N 3.29Å; D447-T450 PolarHBondContact O-OG1 2.93Å; D447-Q451 PolarHBondContact O-N 3.02Å
448	I	64.2	Low	62.3	Low	91 Å²	91	108.1 Å²	108.1	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-68.3	-38	175.7	-65.7	164.3	0	0	0	111.1	S444 Q445 L446 Q451 H452	S444-I448 WeakPolarHBondContact O-CG1 3.25Å; S444-I448 PolarHBondContact O-N 3.37Å; Q445-I448 PolarHBondContact O-N 2.96Å; L446-I448 VanDerWaalsContact C-N 3.33Å; L446-I448 PolarHBondContact O-N 3.43Å; I448-Q451 PolarHBondContact O-N 3.46Å; I448-H452 PolarHBondContact O-N 3.1Å
449	L	53.9	Low	62	Low	111 Å²	111	108.8 Å²	108.8	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-71.1	-31	179.1	-76.5	164.9	0	0	0	113.2	Q445 L446 S453	Q445-L449 PolarHBondContact O-N 2.91Å; L446-L449 PolarHBondContact O-N 3.39Å; L449-S453 PolarHBondContact O-OG 3.31Å
450	T	59.1	Low	61.9	Low	76 Å²	76	107.5 Å²	107.5	47%	0.466	55%	0.548	S	S	.	.	H	α-helix	trans	-75.1	-26.4	176.2	55.1	0	0	0	0	112.7	L446 D447	L446-T450 WeakPolarHBondContact O-CG2 3.18Å; L446-T450 PolarHBondContact O-N 3.36Å; L446-T450 VanDerWaalsContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 3.02Å; D447-T450 PolarHBondContact O-OG1 2.93Å
451	Q	56.7	Low	61.7	Low	156 Å²	156	106 Å²	106	73%	0.729	54%	0.541	S	S	*	.	H	α-helix	trans	-79.3	-25.7	176.1	-73.7	-173.5	-6	0	0	114.5	D447 I448	D447-Q451 PolarHBondContact O-N 3.02Å; I448-Q451 PolarHBondContact O-N 3.46Å
452	H	55.9	Low	61.5	Low	160 Å²	160	105.9 Å²	105.9	74%	0.741	54%	0.544	S	S	*	.	H	α-helix	trans	-98.6	-7.5	-173.2	-95.7	-75.4	0	0	0	116.1	I448 F454	I448-H452 PolarHBondContact O-N 3.1Å; H452-F454 PolarHBondContact O-N 2.52Å
453	S	46.4	Very low	61.5	Low	52 Å²	52	109.6 Å²	109.6	36%	0.364	55%	0.554	S	S	.	*			trans	-102.4	70.2	-170.8	56.9	0	0	0	0	114.1	L449 L455	L449-S453 PolarHBondContact O-OG 3.31Å; S453-L455 PolarHBondContact O-N 2.86Å
454	F	45.6	Very low	61.5	Low	198 Å²	198	109.5 Å²	109.5	87%	0.868	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	10.8	177.3	-113.2	-86.9	0	0	0	115.7	H452	H452-F454 PolarHBondContact O-N 2.52Å
455	L	46.4	Very low	61.8	Low	154 Å²	154	111.2 Å²	111.2	81%	0.806	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	-2.6	-165.9	-100.3	134.8	0	0	0	118.6	S453	S453-L455 PolarHBondContact O-N 2.86Å
456	N	53.4	Low	62.2	Low	104 Å²	104	112.7 Å²	112.7	56%	0.556	56%	0.561	S	S	*	*			trans	-154.2	76.1	176.3	-86	-45.8	0	0	0	112.5	L458 I459 V460	N456-L458 PolarHBondContact O-N 2.96Å; N456-L458 VanDerWaalsContact O-N 3.09Å; N456-I459 HydrophobicContact CB-CB 4.41Å; N456-I459 HydrophobicContact CB-CD1 4.11Å; N456-I459 HydrophobicContact CB-CG1 4.39Å; N456-I459 PolarHBondContact O-N 2.93Å; N456-V460 PolarHBondContact O-N 2.94Å
457	H	58.9	Low	62.8	Low	168 Å²	168	113 Å²	113	78%	0.778	56%	0.562	S	S	*	*	H	α-helix	trans	-59.3	-23.7	-175.1	-145.9	-69.2	0	0	0	114
458	L	56.4	Low	63.5	Low	139 Å²	139	116 Å²	116	73%	0.728	57%	0.567	S	S	*	*	H	α-helix	trans	-79.3	-37.6	-179.1	-156	77.3	0	0	0	112.9	N456 L462	N456-L458 PolarHBondContact O-N 2.96Å; N456-L458 VanDerWaalsContact O-N 3.09Å; L458-L462 PolarHBondContact O-N 3.1Å
459	I	67.5	Low	64.2	Low	91 Å²	91	118.9 Å²	118.9	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-72	-41.2	-177.8	-64.5	174.4	0	0	0	110.1	N456 H461 L462 Y463	N456-I459 HydrophobicContact CB-CB 4.41Å; N456-I459 HydrophobicContact CB-CD1 4.11Å; N456-I459 HydrophobicContact CB-CG1 4.39Å; N456-I459 PolarHBondContact O-N 2.93Å; I459-H461 VanDerWaalsContact C-N 3.3Å; I459-H461 PolarHBondContact O-N 3.3Å; I459-L462 PolarHBondContact O-N 3.37Å; I459-Y463 HydrophobicContact CG2-CD2 3.86Å; I459-Y463 HydrophobicContact CG2-CE2 3.98Å; I459-Y463 WeakPolarHBondContact O-CD2 3.4Å; I459-Y463 PolarHBondContact O-N 3.25Å; I459-Y463 VanDerWaalsContact O-N 3.07Å
460	V	66.4	Low	65.6	Low	44 Å²	44	117.5 Å²	117.5	27%	0.267	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-40.6	178.3	179	0	0	0	0	111	N456 L462 Y463 I464	N456-V460 PolarHBondContact O-N 2.94Å; V460-L462 PolarHBondContact O-N 3.13Å; V460-Y463 PolarHBondContact O-N 2.93Å; V460-I464 HydrophobicContact CG1-CD1 3.81Å; V460-I464 HydrophobicContact CG1-CG1 4.43Å; V460-I464 VanDerWaalsContact O-CG1 3.31Å; V460-I464 WeakPolarHBondContact O-CG1 3.34Å; V460-I464 PolarHBondContact O-N 3.12Å
461	H	68.2	Low	66.6	Low	112 Å²	112	116.7 Å²	116.7	52%	0.519	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-39.5	179.5	-135.4	-73.9	0	0	0	112.8	I459 I465	I459-H461 VanDerWaalsContact C-N 3.3Å; I459-H461 PolarHBondContact O-N 3.3Å; H461-I465 WeakPolarHBondContact O-CD1 3.22Å; H461-I465 VanDerWaalsContact O-CG1 3.27Å; H461-I465 WeakPolarHBondContact O-CG1 3.34Å; H461-I465 PolarHBondContact O-N 3.47Å; H461-I465 VanDerWaalsContact O-N 3.16Å
462	L	71.8	Confident	67.5	Low	107 Å²	107	112.6 Å²	112.6	56%	0.56	55%	0.55	S	S	*	*	H	α-helix	trans	-64.4	-43.1	174.6	-90.5	146.2	0	0	0	111.9	L458 I459 V460 I465 Q466	L458-L462 PolarHBondContact O-N 3.1Å; I459-L462 PolarHBondContact O-N 3.37Å; V460-L462 PolarHBondContact O-N 3.13Å; L462-I465 PolarHBondContact O-N 3.42Å; L462-Q466 WeakPolarHBondContact O-CB 3.46Å; L462-Q466 PolarHBondContact O-N 3.38Å
463	Y	72.7	Confident	68.5	Low	155 Å²	155	110.2 Å²	110.2	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-65.1	-41.4	177.4	-93.6	-92.1	0	0	0	112.5	I459 V460 I465 Q466 I467	I459-Y463 HydrophobicContact CG2-CD2 3.86Å; I459-Y463 HydrophobicContact CG2-CE2 3.98Å; I459-Y463 WeakPolarHBondContact O-CD2 3.4Å; I459-Y463 PolarHBondContact O-N 3.25Å; I459-Y463 VanDerWaalsContact O-N 3.07Å; V460-Y463 PolarHBondContact O-N 2.93Å; Y463-I465 PolarHBondContact O-N 3.38Å; Y463-Q466 PolarHBondContact O-N 2.99Å; Y463-I467 VanDerWaalsContact O-CG1 3.28Å; Y463-I467 WeakPolarHBondContact O-CG1 3.31Å; Y463-I467 PolarHBondContact O-N 3.44Å
464	I	75.5	Confident	70	Confident	81 Å²	81	112.2 Å²	112.2	42%	0.415	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-44.1	177.2	-69.3	168.3	0	0	0	111	V460 Q466 I467 Y468	V460-I464 HydrophobicContact CG1-CD1 3.81Å; V460-I464 HydrophobicContact CG1-CG1 4.43Å; V460-I464 VanDerWaalsContact O-CG1 3.31Å; V460-I464 WeakPolarHBondContact O-CG1 3.34Å; V460-I464 PolarHBondContact O-N 3.12Å; I464-Q466 VanDerWaalsContact C-N 3.33Å; I464-Q466 PolarHBondContact O-N 3Å; I464-I467 PolarHBondContact O-N 2.82Å; I464-Y468 WeakPolarHBondContact O-CB 3.25Å; I464-Y468 PolarHBondContact O-N 2.76Å
465	I	77.6	Confident	71.3	Confident	88 Å²	88	107.2 Å²	107.2	45%	0.451	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.4	-68.1	165.9	0	0	0	110.7	H461 L462 Y463 Y468 F469	H461-I465 WeakPolarHBondContact O-CD1 3.22Å; H461-I465 VanDerWaalsContact O-CG1 3.27Å; H461-I465 WeakPolarHBondContact O-CG1 3.34Å; H461-I465 PolarHBondContact O-N 3.47Å; H461-I465 VanDerWaalsContact O-N 3.16Å; L462-I465 PolarHBondContact O-N 3.42Å; Y463-I465 PolarHBondContact O-N 3.38Å; I465-Y468 PolarHBondContact O-N 2.73Å; I465-F469 HydrophobicContact CG2-CD2 4.09Å; I465-F469 HydrophobicContact CG2-CE2 4.34Å; I465-F469 PolarHBondContact O-N 3.02Å
466	Q	77.2	Confident	72.6	Confident	127 Å²	127	105.1 Å²	105.1	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-66.2	-39.5	-179.3	-164.9	161.4	-15.3	0	0	112	L462 Y463 I464 F469 V470	L462-Q466 WeakPolarHBondContact O-CB 3.46Å; L462-Q466 PolarHBondContact O-N 3.38Å; Y463-Q466 PolarHBondContact O-N 2.99Å; I464-Q466 VanDerWaalsContact C-N 3.33Å; I464-Q466 PolarHBondContact O-N 3Å; Q466-F469 PolarHBondContact O-N 2.8Å; Q466-V470 WeakPolarHBondContact O-CG2 3.22Å; Q466-V470 PolarHBondContact O-N 3.12Å; Q466-V470 VanDerWaalsContact O-N 3.1Å
467	I	80	Confident	73.6	Confident	60 Å²	60	106.5 Å²	106.5	31%	0.308	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-42.2	175.2	-67.6	172.2	0	0	0	110.8	L446 Y463 I464 F469 V470 V471	L446-I467 HydrophobicContact CD1-CG2 4.35Å; L446-I467 HydrophobicContact CD2-CD1 3.71Å; Y463-I467 VanDerWaalsContact O-CG1 3.28Å; Y463-I467 WeakPolarHBondContact O-CG1 3.31Å; Y463-I467 PolarHBondContact O-N 3.44Å; I464-I467 PolarHBondContact O-N 2.82Å; I467-F469 VanDerWaalsContact C-N 3.3Å; I467-F469 PolarHBondContact O-N 3.38Å; I467-V470 PolarHBondContact O-N 2.99Å; I467-V471 HydrophobicContact CG2-CG2 4.27Å; I467-V471 WeakPolarHBondContact O-CG2 3.27Å; I467-V471 PolarHBondContact O-N 2.87Å
468	Y	80.1	Confident	74.1	Confident	162 Å²	162	104.1 Å²	104.1	64%	0.635	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-37.8	178	-161.2	-96.2	0	0	0	112.4	I464 I465 N472	I464-Y468 WeakPolarHBondContact O-CB 3.25Å; I464-Y468 PolarHBondContact O-N 2.76Å; I465-Y468 PolarHBondContact O-N 2.73Å; Y468-N472 VanDerWaalsContact CD1-ND2 3.3Å; Y468-N472 WeakPolarHBondContact CD1-ND2 3.26Å; Y468-N472 WeakPolarHBondContact CE1-ND2 3.41Å; Y468-N472 WeakPolarHBondContact O-CB 3.27Å; Y468-N472 PolarHBondContact O-N 3.1Å; Y468-N472 VanDerWaalsContact O-N 3.07Å; Y468-N472 PolarHBondContact O-ND2 3.49Å
469	F	79.3	Confident	74.6	Confident	152 Å²	152	104 Å²	104	67%	0.667	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-42.8	173.5	-100.4	-79.4	0	0	0	112.8	I465 Q466 I467 H473	I465-F469 HydrophobicContact CG2-CD2 4.09Å; I465-F469 HydrophobicContact CG2-CE2 4.34Å; I465-F469 PolarHBondContact O-N 3.02Å; Q466-F469 PolarHBondContact O-N 2.8Å; I467-F469 VanDerWaalsContact C-N 3.3Å; I467-F469 PolarHBondContact O-N 3.38Å; F469-H473 VanDerWaalsContact O-CB 3.32Å; F469-H473 WeakPolarHBondContact O-CB 3.15Å; F469-H473 PolarHBondContact O-N 2.6Å
470	V	82.1	Confident	74.3	Confident	82 Å²	82	109.6 Å²	109.6	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-44.9	178.8	171.9	0	0	0	0	110.9	Q466 I467 H473 I474	Q466-V470 WeakPolarHBondContact O-CG2 3.22Å; Q466-V470 PolarHBondContact O-N 3.12Å; Q466-V470 VanDerWaalsContact O-N 3.1Å; I467-V470 PolarHBondContact O-N 2.99Å; V470-H473 PolarHBondContact O-N 3.37Å; V470-I474 HydrophobicContact CG1-CD1 3.73Å; V470-I474 HydrophobicContact CG1-CG1 4.45Å; V470-I474 VanDerWaalsContact O-CG1 3.28Å; V470-I474 WeakPolarHBondContact O-CG1 3.43Å; V470-I474 PolarHBondContact O-N 3.29Å
471	V	80.2	Confident	74.7	Confident	58 Å²	58	112.9 Å²	112.9	35%	0.352	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-44.8	178.7	174	0	0	0	0	111.2	I467 H473 I474 Q475	I467-V471 HydrophobicContact CG2-CG2 4.27Å; I467-V471 WeakPolarHBondContact O-CG2 3.27Å; I467-V471 PolarHBondContact O-N 2.87Å; V471-H473 VanDerWaalsContact C-N 3.33Å; V471-H473 PolarHBondContact O-N 3.38Å; V471-I474 PolarHBondContact O-N 3.36Å; V471-Q475 WeakPolarHBondContact O-CB 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.35Å; V471-Q475 PolarHBondContact O-N 2.79Å
472	N	76	Confident	75.1	Confident	71 Å²	71	112.9 Å²	112.9	38%	0.38	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-37.3	175.6	-90.3	-52.9	0	0	0	112.6	Y468 Q475 L476	Y468-N472 VanDerWaalsContact CD1-ND2 3.3Å; Y468-N472 WeakPolarHBondContact CD1-ND2 3.26Å; Y468-N472 WeakPolarHBondContact CE1-ND2 3.41Å; Y468-N472 WeakPolarHBondContact O-CB 3.27Å; Y468-N472 PolarHBondContact O-N 3.1Å; Y468-N472 VanDerWaalsContact O-N 3.07Å; Y468-N472 PolarHBondContact O-ND2 3.49Å; N472-Q475 PolarHBondContact O-N 3.1Å; N472-L476 WeakPolarHBondContact O-CB 3.13Å; N472-L476 PolarHBondContact O-N 2.63Å
473	H	77.5	Confident	75.2	Confident	109 Å²	109	113.3 Å²	113.3	51%	0.505	54%	0.542	S	S	.	.	H	α-helix	trans	-68.5	-37.1	178	-166.4	48.8	0	0	0	112.4	F469 V470 V471 L476 K477	F469-H473 VanDerWaalsContact O-CB 3.32Å; F469-H473 WeakPolarHBondContact O-CB 3.15Å; F469-H473 PolarHBondContact O-N 2.6Å; V470-H473 PolarHBondContact O-N 3.37Å; V471-H473 VanDerWaalsContact C-N 3.33Å; V471-H473 PolarHBondContact O-N 3.38Å; H473-L476 PolarHBondContact O-N 2.93Å; H473-K477 WeakPolarHBondContact NE2-CE 3.14Å; H473-K477 PolarHBondContact O-N 3.13Å; H473-K477 VanDerWaalsContact O-N 3.09Å
474	I	77.5	Confident	75.4	Confident	95 Å²	95	110.8 Å²	110.8	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-44.2	174.1	-67	166.3	0	0	0	110.6	V470 V471 L476 K477 M478	V470-I474 HydrophobicContact CG1-CD1 3.73Å; V470-I474 HydrophobicContact CG1-CG1 4.45Å; V470-I474 VanDerWaalsContact O-CG1 3.28Å; V470-I474 WeakPolarHBondContact O-CG1 3.43Å; V470-I474 PolarHBondContact O-N 3.29Å; V471-I474 PolarHBondContact O-N 3.36Å; I474-L476 VanDerWaalsContact C-N 3.34Å; I474-L476 PolarHBondContact O-N 3.08Å; I474-K477 PolarHBondContact O-N 3.41Å; I474-M478 HydrophobicContact CG2-CG 4.31Å; I474-M478 WeakPolarHBondContact O-CG 3.49Å; I474-M478 PolarHBondContact O-N 2.88Å
475	Q	72.5	Confident	75.4	Confident	92 Å²	92	112.7 Å²	112.7	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-59.3	-43.5	175.1	-76.8	-76.8	-27.9	0	0	111.8	V471 N472 K477 M478 L479	V471-Q475 WeakPolarHBondContact O-CB 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.35Å; V471-Q475 PolarHBondContact O-N 2.79Å; N472-Q475 PolarHBondContact O-N 3.1Å; Q475-K477 PolarHBondContact O-N 3.02Å; Q475-M478 PolarHBondContact O-N 3.21Å; Q475-L479 PolarHBondContact O-N 3.18Å
476	L	73.3	Confident	75.2	Confident	111 Å²	111	114.3 Å²	114.3	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-63.8	-39	177.3	-124.6	93.3	0	0	0	112.7	N472 H473 I474 M478 L479 Q480	N472-L476 WeakPolarHBondContact O-CB 3.13Å; N472-L476 PolarHBondContact O-N 2.63Å; H473-L476 PolarHBondContact O-N 2.93Å; I474-L476 VanDerWaalsContact C-N 3.34Å; I474-L476 PolarHBondContact O-N 3.08Å; L476-M478 VanDerWaalsContact C-N 3.32Å; L476-L479 PolarHBondContact O-N 3.49Å; L476-Q480 PolarHBondContact O-N 3.35Å
477	K	74.6	Confident	75.1	Confident	133 Å²	133	113.4 Å²	113.4	58%	0.578	55%	0.549	S	S	*	.	H	α-helix	trans	-73	-21.9	177.2	-83.5	-174.2	173.2	177.3	0	113.9	H473 I474 Q475	H473-K477 WeakPolarHBondContact NE2-CE 3.14Å; H473-K477 PolarHBondContact O-N 3.13Å; H473-K477 VanDerWaalsContact O-N 3.09Å; I474-K477 PolarHBondContact O-N 3.41Å; Q475-K477 PolarHBondContact O-N 3.02Å
478	M	69.4	Low	74.7	Confident	118 Å²	118	117.5 Å²	117.5	58%	0.581	57%	0.568	S	S	*	*	H	α-helix	trans	-85.5	-17.5	176.1	-69.5	-99.6	-69.5	0	0	112.7	L435 I474 Q475 L476	L435-M478 HydrophobicContact CD1-CE 3.95Å; I474-M478 HydrophobicContact CG2-CG 4.31Å; I474-M478 WeakPolarHBondContact O-CG 3.49Å; I474-M478 PolarHBondContact O-N 2.88Å; Q475-M478 PolarHBondContact O-N 3.21Å; L476-M478 VanDerWaalsContact C-N 3.32Å
479	L	67.9	Low	74.3	Confident	135 Å²	135	113.8 Å²	113.8	71%	0.707	56%	0.562	S	S	*	*			trans	-92	-10.4	176.9	-78.9	159.8	0	0	0	113.4	Q475 L476	Q475-L479 PolarHBondContact O-N 3.18Å; L476-L479 PolarHBondContact O-N 3.49Å
480	Q	60.8	Low	73.8	Confident	210 Å²	210	110.4 Å²	110.4	98%	0.981	55%	0.553	S	S	*	*			trans	-94.4	0	167.9	-70.9	-176.6	-27.9	0	0	109.6	L476	L476-Q480 PolarHBondContact O-N 3.35Å

Retrieved 480 of 480 residues in 351 ms (Link to these results)

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