G4LZ80_SCHMA Loading...

Splicing factor 3B subunit 4

AlphaFold DB , UniProt , Accession G4LZ80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 344 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	54	Low	237 Å²	237	147 Å²	147	100%	1.167	76%	0.764	S	S	*	*				0	93.7	0	-65.3	-176.3	-165.2	0	0	106.6	I3	M1-I3 PolarHBondContact O-N 2.96Å
2	T	38.2	Very low	57	Low	146 Å²	146	140.8 Å²	140.8	90%	0.896	73%	0.732	S	S	*	*			trans	-87.1	104	-179.7	-57.6	0	0	0	0	107.4	G4	T2-G4 PolarHBondContact O-N 3.1Å
3	I	42.1	Very low	59.9	Low	160 Å²	160	130 Å²	130	82%	0.821	68%	0.676	S	S	*	*			trans	-65.3	112.2	167.3	-64	179.1	0	0	0	105.4	M1 V5	M1-I3 PolarHBondContact O-N 2.96Å; I3-V5 PolarHBondContact O-N 3.14Å; I3-V5 VanDerWaalsContact O-N 3.16Å
4	G	40.6	Very low	62.4	Low	60 Å²	60	121.2 Å²	121.2	62%	0.619	63%	0.631	S	S	*	*			trans	-57.6	118.4	176.5	0	0	0	0	0	109.2	T2 M6	T2-G4 PolarHBondContact O-N 3.1Å; G4-M6 PolarHBondContact O-N 2.73Å; G4-M6 VanDerWaalsContact O-N 3.09Å
5	V	40.1	Very low	64.7	Low	132 Å²	132	113.3 Å²	113.3	80%	0.8	59%	0.59	S	S	*	*			trans	-47.4	115.1	159.8	-105.4	0	0	0	0	106.6	I3 E7	I3-V5 PolarHBondContact O-N 3.14Å; I3-V5 VanDerWaalsContact O-N 3.16Å; V5-E7 PolarHBondContact O-N 2.97Å
6	M	42.2	Very low	66.6	Low	190 Å²	190	111 Å²	111	94%	0.936	57%	0.572	S	S	*	*			trans	-62.8	95.1	158.9	-78.2	-176.4	172	0	0	104.9	G4 E8	G4-M6 PolarHBondContact O-N 2.73Å; G4-M6 VanDerWaalsContact O-N 3.09Å; M6-E8 PolarHBondContact O-N 3.18Å
7	E	51.8	Low	68.3	Low	176 Å²	176	104.5 Å²	104.5	82%	0.822	54%	0.538	S	S	*	.			trans	-50.1	116.5	168	-102.7	163.1	138.9	0	0	107	V5 R9	V5-E7 PolarHBondContact O-N 2.97Å; E7-R9 VanDerWaalsContact C-N 3.27Å; E7-R9 PolarHBondContact O-N 3.01Å
8	E	62.3	Low	69.7	Low	188 Å²	188	98.7 Å²	98.7	88%	0.879	51%	0.508	S	S	*	.			trans	-62	95.9	174.7	-174.9	165.9	-166.7	0	0	106.3	M6 N10	M6-E8 PolarHBondContact O-N 3.18Å; E8-N10 PolarHBondContact O-N 2.89Å
9	R	68.7	Low	70.9	Confident	135 Å²	135	95.2 Å²	95.2	51%	0.509	50%	0.499	S	S	.	.			trans	-47	126.8	-178.7	-82.4	-173.9	-80.1	179.5	-5.5	108.9	E7 Q11	E7-R9 VanDerWaalsContact C-N 3.27Å; E7-R9 PolarHBondContact O-N 3.01Å; R9-Q11 VanDerWaalsContact C-N 3.28Å; R9-Q11 WeakPolarHBondContact O-CG 3.17Å; R9-Q11 PolarHBondContact O-N 3.07Å
10	N	83.8	Confident	72.2	Confident	72 Å²	72	90.6 Å²	90.6	39%	0.385	48%	0.475	S	S	.	.			trans	-71.3	89	-179.7	-173.7	-4.9	0	0	0	108.8	E8 D12 A13 T14 E60	E8-N10 PolarHBondContact O-N 2.89Å; N10-D12 PolarHBondContact O-N 3.15Å; N10-D12 PolarHBondContact OD1-N 3.43Å; N10-A13 HydrophobicContact CB-CB 4.2Å; N10-A13 WeakPolarHBondContact ND2-CB 3.48Å; N10-A13 CarbonylContact O-C 3.53Å; N10-A13 PolarHBondContact O-N 3.29Å; N10-A13 VanDerWaalsContact O-N 3.13Å; N10-A13 PolarHBondContact OD1-N 2.93Å; N10-T14 WeakPolarHBondContact O-CB 3.42Å; N10-T14 PolarHBondContact O-N 2.94Å; N10-T14 PolarHBondContact O-OG1 2.76Å; N10-E60 WeakPolarHBondContact CB-OE1 3.33Å; N10-E60 PolarHBondContact N-OE1 3.49Å; N10-E60 VanDerWaalsContact N-OE1 3.16Å
11	Q	85.3	Confident	73.3	Confident	121 Å²	121	87.5 Å²	87.5	57%	0.565	46%	0.459	S	S	*	.	S	Bend	trans	-61	-28.7	-173.5	-61.4	-174.2	13.4	0	0	111.9	R9 T14	R9-Q11 VanDerWaalsContact C-N 3.28Å; R9-Q11 WeakPolarHBondContact O-CG 3.17Å; R9-Q11 PolarHBondContact O-N 3.07Å; Q11-T14 PolarHBondContact O-N 3.06Å
12	D	89.5	Confident	76	Confident	73 Å²	73	82.6 Å²	82.6	39%	0.39	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-35.5	178.7	-69	-61.1	0	0	0	112.8	N10 T14 E64 K88	N10-D12 PolarHBondContact O-N 3.15Å; N10-D12 PolarHBondContact OD1-N 3.43Å; D12-T14 VanDerWaalsContact C-N 3.32Å; D12-E64 HydrophobicContact CB-CG 4.39Å; D12-K88 VanDerWaalsContact O-CE 3.25Å; D12-K88 WeakPolarHBondContact O-CE 3.37Å; D12-K88 WeakPolarHBondContact OD1-CE 3.42Å; D12-K88 IonicContact OD1-NZ 3.9Å; D12-K88 PolarHBondContact OD1-NZ 2.96Å
13	A	94.7	Very high	78.6	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7	172.1	0	0	0	0	0	113.7	N10 F61	N10-A13 HydrophobicContact CB-CB 4.2Å; N10-A13 WeakPolarHBondContact ND2-CB 3.48Å; N10-A13 CarbonylContact O-C 3.53Å; N10-A13 PolarHBondContact O-N 3.29Å; N10-A13 VanDerWaalsContact O-N 3.13Å; N10-A13 PolarHBondContact OD1-N 2.93Å; A13-F61 WeakPolarHBondContact CB-O 3.3Å; A13-F61 PolarHBondContact O-N 3.36Å
14	T	95.6	Very high	81.2	Confident	7 Å²	7	74 Å²	74	4%	0.043	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.9	179.9	-56.7	0	0	0	0	111.1	N10 Q11 D12 F58 V59 A89	N10-T14 WeakPolarHBondContact O-CB 3.42Å; N10-T14 PolarHBondContact O-N 2.94Å; N10-T14 PolarHBondContact O-OG1 2.76Å; Q11-T14 PolarHBondContact O-N 3.06Å; D12-T14 VanDerWaalsContact C-N 3.32Å; T14-F58 HydrophobicContact CG2-CB 3.97Å; T14-F58 HydrophobicContact CG2-CD1 4.31Å; T14-V59 CarbonylContact C-O 3.4Å; T14-V59 WeakPolarHBondContact CA-O 3.44Å; T14-A89 HydrophobicContact CG2-CB 3.8Å; T14-A89 WeakPolarHBondContact O-CB 3.25Å; T14-A89 PolarHBondContact O-N 3.06Å
15	I	96.2	Very high	83.8	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.5	170.8	61.1	166.9	0	0	0	111.2	V17 F33 F58 V59 F61 A67 A70 V86 N87	I15-V17 HydrophobicContact CD1-CG2 3.9Å; I15-V17 HydrophobicContact CG1-CG2 4.17Å; I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CE1 3.25Å; I15-F33 HydrophobicContact CD1-CG 4.45Å; I15-F33 HydrophobicContact CD1-CZ 3.81Å; I15-F58 VanDerWaalsContact O-CA 3.29Å; I15-F58 WeakPolarHBondContact O-CA 3.49Å; I15-V59 HydrophobicContact CD1-CB 4.06Å; I15-V59 HydrophobicContact CG1-CB 3.73Å; I15-V59 WeakPolarHBondContact CG1-O 3.39Å; I15-V59 PolarHBondContact N-O 3.01Å; I15-V59 PolarHBondContact O-N 3.1Å; I15-F61 HydrophobicContact CD1-CE2 3.66Å; I15-F61 HydrophobicContact CD1-CZ 4.39Å; I15-F61 HydrophobicContact CG1-CD2 4.49Å; I15-F61 HydrophobicContact CG1-CE2 3.92Å; I15-A67 HydrophobicContact CG2-CB 3.96Å; I15-A67 WeakPolarHBondContact CG2-O 3.41Å; I15-A70 HydrophobicContact CD1-CB 4.32Å; I15-V86 HydrophobicContact CB-CG1 4.01Å; I15-V86 HydrophobicContact CD1-CG1 3.54Å; I15-V86 HydrophobicContact CG1-CG1 4.3Å; I15-V86 HydrophobicContact CG2-CG1 4.38Å; I15-N87 CarbonylContact C-O 3.53Å; I15-N87 WeakPolarHBondContact CA-O 3.33Å
16	Y	95.3	Very high	86.5	Confident	77 Å²	77	72 Å²	72	30%	0.302	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.9	162.8	169.8	-90	0	0	0	109.4	Y56 F58 V86 N87	Y16-Y56 HydrophobicContact CD2-CD2 4.08Å; Y16-Y56 AromaticContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CD2 3.49Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CE2 4.36Å; Y16-Y56 AromaticContact CE2-CG 3.71Å; Y16-Y56 HydrophobicContact CE2-CG 3.71Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.46Å; Y16-F58 AromaticContact CD2-CE1 3.94Å; Y16-F58 HydrophobicContact CD2-CE1 3.94Å; Y16-F58 HydrophobicContact CD2-CZ 4.27Å; Y16-V86 WeakPolarHBondContact O-CA 3.08Å; Y16-N87 PolarHBondContact N-O 3.09Å; Y16-N87 PolarHBondContact O-N 3.31Å
17	V	95.8	Very high	89	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.2	175.4	-169.7	0	0	0	0	108.6	I15 L20 L29 F33 Y56 G57 V59 I84 R85 V86	I15-V17 HydrophobicContact CD1-CG2 3.9Å; I15-V17 HydrophobicContact CG1-CG2 4.17Å; V17-L20 HydrophobicContact CG1-CD2 3.82Å; V17-L20 HydrophobicContact CG1-CG 4.45Å; V17-L29 HydrophobicContact CG1-CD2 4.36Å; V17-F33 HydrophobicContact CB-CE2 4.43Å; V17-F33 HydrophobicContact CB-CZ 4.43Å; V17-F33 HydrophobicContact CG1-CE2 3.98Å; V17-F33 HydrophobicContact CG1-CZ 4.01Å; V17-F33 HydrophobicContact CG2-CE1 4.39Å; V17-F33 HydrophobicContact CG2-CE2 3.64Å; V17-F33 HydrophobicContact CG2-CZ 3.51Å; V17-Y56 CarbonylContact O-C 3.55Å; V17-Y56 WeakPolarHBondContact O-CA 3.19Å; V17-Y56 WeakPolarHBondContact O-CB 3.43Å; V17-G57 PolarHBondContact N-O 2.95Å; V17-G57 PolarHBondContact O-N 3.14Å; V17-V59 HydrophobicContact CG2-CG2 3.88Å; V17-I84 HydrophobicContact CG1-CB 4.38Å; V17-I84 HydrophobicContact CG1-CD1 4.39Å; V17-R85 CarbonylContact C-O 3.44Å; V17-R85 WeakPolarHBondContact CA-O 3.38Å; V17-V86 HydrophobicContact CG1-CG2 4.47Å
18	G	94.3	Very high	91.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	174.5	179	0	0	0	0	0	113.2	L20 I84 R85	G18-L20 VanDerWaalsContact C-N 3.32Å; G18-I84 WeakPolarHBondContact O-CA 3.48Å; G18-R85 PolarHBondContact N-O 2.91Å; G18-R85 PolarHBondContact O-N 3.41Å
19	G	92.4	Very high	92.8	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	26%	0.262	S	S	.	.	S	Bend	trans	78.8	15.5	178.6	0	0	0	0	0	114	G55 K82	G19-G55 PolarHBondContact N-O 2.65Å; G19-K82 WeakPolarHBondContact O-CE 3.45Å
20	L	96.1	Very high	94.1	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.255	C	S	.	.			trans	-68.2	143.4	-175.6	-56.3	178.1	0	0	0	111.4	V17 G18 V24 L29 M44 G55 L79 K82 I84	V17-L20 HydrophobicContact CG1-CD2 3.82Å; V17-L20 HydrophobicContact CG1-CG 4.45Å; G18-L20 VanDerWaalsContact C-N 3.32Å; L20-V24 HydrophobicContact CB-CB 4.41Å; L20-V24 HydrophobicContact CD2-CG1 4.41Å; L20-L29 HydrophobicContact CD1-CD1 3.82Å; L20-L29 HydrophobicContact CD1-CD2 4.16Å; L20-L29 HydrophobicContact CD1-CG 4.5Å; L20-L29 HydrophobicContact CD2-CD2 3.87Å; L20-M44 HydrophobicContact CB-CE 4.34Å; L20-M44 HydrophobicContact CD1-CE 3.56Å; L20-G55 WeakPolarHBondContact CB-O 3.49Å; L20-G55 PolarHBondContact N-O 3.44Å; L20-L79 HydrophobicContact CD2-CD1 4.36Å; L20-K82 PolarHBondContact O-NZ 3.42Å; L20-I84 HydrophobicContact CD2-CB 4.48Å; L20-I84 HydrophobicContact CD2-CG2 3.82Å
21	D	96.1	Very high	94.8	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.144	26%	0.263	C	S	.	.			trans	-77.2	149	171.3	-167.7	-96.6	0	0	0	110.7	K23 V24 H53 Y80 K82	D21-K23 PolarHBondContact O-N 3.43Å; D21-K23 WeakPolarHBondContact OD1-CB 3.22Å; D21-K23 WeakPolarHBondContact OD1-CG 3.42Å; D21-K23 PolarHBondContact OD1-N 2.88Å; D21-K23 VanDerWaalsContact OD1-N 3.12Å; D21-V24 HydrophobicContact CB-CG2 4.13Å; D21-V24 WeakPolarHBondContact O-CB 3.36Å; D21-V24 WeakPolarHBondContact O-CG2 3.44Å; D21-V24 PolarHBondContact O-N 3.01Å; D21-H53 VanDerWaalsContact C-CE1 3.49Å; D21-H53 PolarHBondContact O-CE1 3.3Å; D21-H53 PolarHBondContact O-NE2 3.02Å; D21-Y80 HydrophobicContact CB-CD2 3.95Å; D21-Y80 HydrophobicContact CB-CG 4.25Å; D21-K82 HydrophobicContact CB-CD 3.97Å; D21-K82 WeakPolarHBondContact OD2-CD 3.15Å
22	E	94.3	Very high	95.3	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.621	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.5	179.7	63.1	-176.9	-171.9	0	0	114.6	H53	E22-H53 VanDerWaalsContact C-NE2 3.25Å; E22-H53 WeakPolarHBondContact CA-CE1 3.36Å; E22-H53 VanDerWaalsContact CA-NE2 3.28Å; E22-H53 WeakPolarHBondContact CA-NE2 3.37Å; E22-H53 PolarHBondContact O-NE2 3.38Å
23	K	94.6	Very high	95.7	Very high	125 Å²	125	44.9 Å²	44.9	54%	0.543	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.7	177	-62.4	173.5	-175.3	172.6	0	113.6	D21 Y80	D21-K23 PolarHBondContact O-N 3.43Å; D21-K23 WeakPolarHBondContact OD1-CB 3.22Å; D21-K23 WeakPolarHBondContact OD1-CG 3.42Å; D21-K23 PolarHBondContact OD1-N 2.88Å; D21-K23 VanDerWaalsContact OD1-N 3.12Å; K23-Y80 HydrophobicContact CB-CD1 4.43Å; K23-Y80 HydrophobicContact CB-CD2 4.08Å; K23-Y80 HydrophobicContact CB-CE1 4.16Å; K23-Y80 HydrophobicContact CB-CE2 3.76Å; K23-Y80 HydrophobicContact CB-CG 4.38Å; K23-Y80 HydrophobicContact CD-CD1 4.24Å; K23-Y80 HydrophobicContact CD-CE1 4.32Å
24	V	96.4	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.			trans	-80	127.2	-177.7	178.2	0	0	0	0	109.9	L20 D21 I28 L29 M44 H53 L79 Y80	L20-V24 HydrophobicContact CB-CB 4.41Å; L20-V24 HydrophobicContact CD2-CG1 4.41Å; D21-V24 HydrophobicContact CB-CG2 4.13Å; D21-V24 WeakPolarHBondContact O-CB 3.36Å; D21-V24 WeakPolarHBondContact O-CG2 3.44Å; D21-V24 PolarHBondContact O-N 3.01Å; V24-I28 HydrophobicContact CG1-CB 4.39Å; V24-I28 HydrophobicContact CG1-CG2 4.36Å; V24-L29 HydrophobicContact CG1-CD2 3.93Å; V24-L29 HydrophobicContact CG1-CG 3.86Å; V24-M44 HydrophobicContact CB-CE 4.43Å; V24-M44 HydrophobicContact CG1-CE 4.35Å; V24-M44 WeakPolarHBondContact O-CE 3.44Å; V24-H53 PolarHBondContact O-CD2 3.07Å; V24-H53 PolarHBondContact O-NE2 2.93Å; V24-L79 HydrophobicContact CG1-CD1 4.46Å; V24-L79 HydrophobicContact CG2-CB 4.31Å; V24-L79 HydrophobicContact CG2-CD1 4.18Å; V24-Y80 HydrophobicContact CG2-CD2 3.64Å; V24-Y80 HydrophobicContact CG2-CE2 3.72Å
25	N	95.1	Very high	95.8	Very high	88 Å²	88	55.2 Å²	55.2	47%	0.471	28%	0.275	S	S	.	.			trans	-112.3	166.3	174.8	-67.1	-27.5	0	0	0	111.2	S27 I28 L29	N25-S27 PolarHBondContact O-N 3.4Å; N25-I28 WeakPolarHBondContact O-CB 3.35Å; N25-I28 PolarHBondContact O-N 3.17Å; N25-L29 PolarHBondContact O-N 2.85Å
26	E	95.4	Very high	95.7	Very high	62 Å²	62	55.5 Å²	55.5	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-53.2	-40	178.8	-71.9	162.5	118.8	0	0	112.5	I28 L29 W30 V42 M44 K46	E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.88Å; E26-L29 PolarHBondContact O-N 2.96Å; E26-W30 WeakPolarHBondContact O-CB 3.48Å; E26-W30 PolarHBondContact O-N 2.77Å; E26-V42 HydrophobicContact CB-CG1 4.25Å; E26-V42 HydrophobicContact CG-CG1 4.35Å; E26-M44 HydrophobicContact CG-CB 3.42Å; E26-M44 VanDerWaalsContact CG-CB 3.42Å; E26-M44 HydrophobicContact CG-SD 4.45Å; E26-M44 PolarHBondContact OE1-N 2.97Å; E26-K46 IonicContact OE2-NZ 2.96Å; E26-K46 PolarHBondContact OE2-NZ 2.75Å
27	S	96.3	Very high	95.8	Very high	87 Å²	87	52.4 Å²	52.4	61%	0.608	27%	0.27	S	S	*	.	H	α-helix	trans	-62	-37.3	175.8	-49.7	0	0	0	0	113	N25 W30 E31	N25-S27 PolarHBondContact O-N 3.4Å; S27-W30 PolarHBondContact O-N 2.97Å; S27-E31 VanDerWaalsContact O-CG 3.29Å; S27-E31 WeakPolarHBondContact O-CG 3.44Å; S27-E31 PolarHBondContact O-N 3.32Å
28	I	96.3	Very high	95.8	Very high	54 Å²	54	55.7 Å²	55.7	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-41.9	178.8	-65.1	175.8	0	0	0	110	V24 N25 E26 L32 Y80	V24-I28 HydrophobicContact CG1-CB 4.39Å; V24-I28 HydrophobicContact CG1-CG2 4.36Å; N25-I28 WeakPolarHBondContact O-CB 3.35Å; N25-I28 PolarHBondContact O-N 3.17Å; E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.88Å; I28-L32 VanDerWaalsContact O-CB 3.24Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 PolarHBondContact O-N 3.44Å; I28-Y80 HydrophobicContact CD1-CE2 4.26Å; I28-Y80 WeakPolarHBondContact CD1-OH 3.44Å
29	L	96.3	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-43.4	175.1	-68.4	179.3	0	0	0	111.4	V17 L20 V24 N25 E26 L32 F33 V42 L79	V17-L29 HydrophobicContact CG1-CD2 4.36Å; L20-L29 HydrophobicContact CD1-CD1 3.82Å; L20-L29 HydrophobicContact CD1-CD2 4.16Å; L20-L29 HydrophobicContact CD1-CG 4.5Å; L20-L29 HydrophobicContact CD2-CD2 3.87Å; V24-L29 HydrophobicContact CG1-CD2 3.93Å; V24-L29 HydrophobicContact CG1-CG 3.86Å; N25-L29 PolarHBondContact O-N 2.85Å; E26-L29 PolarHBondContact O-N 2.96Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-F33 HydrophobicContact CD2-CE2 4.21Å; L29-F33 WeakPolarHBondContact O-CB 2.98Å; L29-F33 WeakPolarHBondContact O-CD2 3.28Å; L29-F33 PolarHBondContact O-N 3.13Å; L29-V42 HydrophobicContact CB-CG1 3.97Å; L29-V42 HydrophobicContact CD1-CG1 4.22Å; L29-L79 HydrophobicContact CD2-CD1 4.44Å
30	W	97.4	Very high	96.1	Very high	95 Å²	95	58 Å²	58	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-54.7	-56.2	175.9	-179	-80.2	0	0	0	111.4	E26 S27 L32 F33 L34 V39 V42	E26-W30 WeakPolarHBondContact O-CB 3.48Å; E26-W30 PolarHBondContact O-N 2.77Å; S27-W30 PolarHBondContact O-N 2.97Å; W30-L32 VanDerWaalsContact C-N 3.3Å; W30-L32 PolarHBondContact O-N 2.81Å; W30-F33 PolarHBondContact O-N 2.82Å; W30-L34 WeakPolarHBondContact O-CB 3.4Å; W30-L34 PolarHBondContact O-N 3Å; W30-V39 HydrophobicContact CD2-CG1 4.33Å; W30-V39 HydrophobicContact CE3-CB 4.34Å; W30-V39 HydrophobicContact CE3-CG1 3.75Å; W30-V39 HydrophobicContact CH2-CB 4.25Å; W30-V39 HydrophobicContact CH2-CG1 4.21Å; W30-V39 WeakPolarHBondContact CH2-O 3.37Å; W30-V39 HydrophobicContact CZ2-CB 4.45Å; W30-V39 HydrophobicContact CZ3-CB 4.2Å; W30-V39 HydrophobicContact CZ3-CG1 3.68Å; W30-V42 HydrophobicContact CB-CG2 4.17Å; W30-V42 HydrophobicContact CD2-CG2 4.49Å; W30-V42 HydrophobicContact CE3-CB 4.38Å; W30-V42 HydrophobicContact CE3-CG2 3.71Å
31	E	96.9	Very high	96.1	Very high	116 Å²	116	61.4 Å²	61.4	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-38.3	-178.6	-67.2	-60.8	155.7	0	0	112.6	S27	S27-E31 VanDerWaalsContact O-CG 3.29Å; S27-E31 WeakPolarHBondContact O-CG 3.44Å; S27-E31 PolarHBondContact O-N 3.32Å
32	L	96.5	Very high	96.1	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-51	178.3	177.6	65.3	0	0	0	111.5	I28 L29 W30 L34 Q35 M74 L79 I84	I28-L32 VanDerWaalsContact O-CB 3.24Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 PolarHBondContact O-N 3.44Å; L29-L32 PolarHBondContact O-N 3.49Å; W30-L32 VanDerWaalsContact C-N 3.3Å; W30-L32 PolarHBondContact O-N 2.81Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-Q35 WeakPolarHBondContact O-CB 3.23Å; L32-Q35 WeakPolarHBondContact O-CG 3.38Å; L32-Q35 PolarHBondContact O-N 3.46Å; L32-M74 HydrophobicContact CD1-CE 3.51Å; L32-M74 HydrophobicContact CD2-CE 4.36Å; L32-M74 HydrophobicContact CG-CE 3.5Å; L32-M74 VanDerWaalsContact CG-CE 3.5Å; L32-M74 WeakPolarHBondContact O-CE 3.47Å; L32-L79 HydrophobicContact CD2-CD1 3.81Å; L32-L79 HydrophobicContact CD2-CD2 4.09Å; L32-L79 HydrophobicContact CD2-CG 4.21Å; L32-I84 HydrophobicContact CD2-CD1 3.97Å
33	F	97.2	Very high	96.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-78.7	-17.6	-174.4	-80	-78.8	0	0	0	113.7	I15 V17 L29 W30 Q35 A36 G37 V39 V59 F61 A70 M74 I84 V86	I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CE1 3.25Å; I15-F33 HydrophobicContact CD1-CG 4.45Å; I15-F33 HydrophobicContact CD1-CZ 3.81Å; V17-F33 HydrophobicContact CB-CE2 4.43Å; V17-F33 HydrophobicContact CB-CZ 4.43Å; V17-F33 HydrophobicContact CG1-CE2 3.98Å; V17-F33 HydrophobicContact CG1-CZ 4.01Å; V17-F33 HydrophobicContact CG2-CE1 4.39Å; V17-F33 HydrophobicContact CG2-CE2 3.64Å; V17-F33 HydrophobicContact CG2-CZ 3.51Å; L29-F33 HydrophobicContact CD2-CE2 4.21Å; L29-F33 WeakPolarHBondContact O-CB 2.98Å; L29-F33 WeakPolarHBondContact O-CD2 3.28Å; L29-F33 PolarHBondContact O-N 3.13Å; W30-F33 PolarHBondContact O-N 2.82Å; F33-Q35 PolarHBondContact O-N 3.2Å; F33-Q35 VanDerWaalsContact O-N 3.13Å; F33-A36 PolarHBondContact O-N 3.15Å; F33-G37 PolarHBondContact O-N 3.04Å; F33-V39 HydrophobicContact CB-CG2 4.1Å; F33-V59 HydrophobicContact CB-CG1 3.96Å; F33-V59 HydrophobicContact CD2-CG2 3.89Å; F33-V59 HydrophobicContact CE2-CG2 4.24Å; F33-V59 HydrophobicContact CG-CG1 4.19Å; F33-V59 HydrophobicContact CG-CG2 4.29Å; F33-F61 HydrophobicContact CB-CZ 4Å; F33-F61 HydrophobicContact CD1-CE2 4.4Å; F33-F61 AromaticContact CD1-CZ 3.9Å; F33-F61 HydrophobicContact CD1-CZ 3.9Å; F33-F61 HydrophobicContact CG-CZ 4.36Å; F33-A70 HydrophobicContact CD1-CB 4.23Å; F33-A70 HydrophobicContact CE1-CB 4.46Å; F33-M74 HydrophobicContact CD1-CB 4.38Å; F33-M74 HydrophobicContact CD1-CE 4.46Å; F33-M74 HydrophobicContact CD1-CG 4.03Å; F33-M74 HydrophobicContact CE1-CB 3.66Å; F33-M74 HydrophobicContact CE1-CG 3.82Å; F33-M74 HydrophobicContact CZ-CB 4.23Å; F33-I84 HydrophobicContact CZ-CD1 4.26Å; F33-V86 HydrophobicContact CE1-CG1 4.41Å; F33-V86 HydrophobicContact CE1-CG2 4.25Å; F33-V86 HydrophobicContact CZ-CG2 3.9Å
34	L	96.8	Very high	96.1	Very high	75 Å²	75	52.5 Å²	52.5	39%	0.393	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.2	169.1	-166.6	69.5	0	0	0	112.5	W30 L32 A36	W30-L34 WeakPolarHBondContact O-CB 3.4Å; W30-L34 PolarHBondContact O-N 3Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 2.99Å
35	Q	95.3	Very high	96	Very high	149 Å²	149	53.4 Å²	53.4	70%	0.696	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.9	175.7	-56.9	-57.8	-57.8	0	0	113.5	L32 F33	L32-Q35 WeakPolarHBondContact O-CB 3.23Å; L32-Q35 WeakPolarHBondContact O-CG 3.38Å; L32-Q35 PolarHBondContact O-N 3.46Å; F33-Q35 PolarHBondContact O-N 3.2Å; F33-Q35 VanDerWaalsContact O-N 3.13Å
36	A	95.2	Very high	95.9	Very high	9 Å²	9	53 Å²	53	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-32.9	-179.6	0	0	0	0	0	112.6	F33 L34 F61 Y69 A70 I73 M74	F33-A36 PolarHBondContact O-N 3.15Å; L34-A36 PolarHBondContact O-N 2.99Å; A36-F61 HydrophobicContact CB-CE1 4.35Å; A36-F61 HydrophobicContact CB-CZ 4.35Å; A36-Y69 HydrophobicContact CB-CD1 4.28Å; A36-Y69 HydrophobicContact CB-CE1 4.49Å; A36-Y69 WeakPolarHBondContact O-CD1 3.5Å; A36-A70 HydrophobicContact CB-CB 3.58Å; A36-I73 HydrophobicContact CB-CD1 4.05Å; A36-M74 HydrophobicContact CB-CG 4.22Å
37	G	96.4	Very high	95.8	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	175.1	176	179.6	0	0	0	0	0	112.8	F33 V39	F33-G37 PolarHBondContact O-N 3.04Å; G37-V39 PolarHBondContact O-N 2.95Å
38	P	97.2	Very high	95.5	Very high	69 Å²	69	59.6 Å²	59.6	45%	0.448	29%	0.29	S	S	.	.			trans	-64.5	116.3	178.9	-19.1	32.5	0	0	0	111.9	M62	P38-M62 HydrophobicContact CB-CB 4.17Å; P38-M62 PolarHBondContact O-N 2.87Å
39	V	96.9	Very high	95.2	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.6	178.5	-177.9	0	0	0	0	110	W30 F33 G37 V42 V59 F61	W30-V39 HydrophobicContact CD2-CG1 4.33Å; W30-V39 HydrophobicContact CE3-CB 4.34Å; W30-V39 HydrophobicContact CE3-CG1 3.75Å; W30-V39 HydrophobicContact CH2-CB 4.25Å; W30-V39 HydrophobicContact CH2-CG1 4.21Å; W30-V39 WeakPolarHBondContact CH2-O 3.37Å; W30-V39 HydrophobicContact CZ2-CB 4.45Å; W30-V39 HydrophobicContact CZ3-CB 4.2Å; W30-V39 HydrophobicContact CZ3-CG1 3.68Å; F33-V39 HydrophobicContact CB-CG2 4.1Å; G37-V39 PolarHBondContact O-N 2.95Å; V39-V42 HydrophobicContact CG1-CG2 3.76Å; V39-V59 HydrophobicContact CG1-CG1 3.77Å; V39-V59 HydrophobicContact CG2-CG1 4.16Å; V39-F61 HydrophobicContact CG2-CD1 4.34Å; V39-F61 HydrophobicContact CG2-CE1 3.94Å; V39-F61 HydrophobicContact CG2-CZ 4.47Å
40	V	95.9	Very high	95	Very high	66 Å²	66	68.5 Å²	68.5	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-46.7	176.5	175.6	0	0	0	0	110.3	E60 M62	V40-E60 HydrophobicContact CB-CG 4.25Å; V40-E60 PolarHBondContact N-O 2.88Å; V40-M62 HydrophobicContact CG2-CB 4.14Å; V40-M62 HydrophobicContact CG2-CE 3.87Å; V40-M62 HydrophobicContact CG2-SD 3.82Å
41	N	95.2	Very high	94.6	Very high	75 Å²	75	69.9 Å²	69.9	40%	0.401	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.9	-174.7	-171.3	23.3	0	0	0	111.6	E60	N41-E60 HydrophobicContact CB-CB 4.17Å; N41-E60 PolarHBondContact N-O 3.35Å; N41-E60 PolarHBondContact O-N 2.77Å
42	V	96.3	Very high	94.3	Very high	14 Å²	14	68.8 Å²	68.8	9%	0.085	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.7	170.3	176.1	0	0	0	0	107.6	E26 L29 W30 V39 F58 V59	E26-V42 HydrophobicContact CB-CG1 4.25Å; E26-V42 HydrophobicContact CG-CG1 4.35Å; L29-V42 HydrophobicContact CB-CG1 3.97Å; L29-V42 HydrophobicContact CD1-CG1 4.22Å; W30-V42 HydrophobicContact CB-CG2 4.17Å; W30-V42 HydrophobicContact CD2-CG2 4.49Å; W30-V42 HydrophobicContact CE3-CB 4.38Å; W30-V42 HydrophobicContact CE3-CG2 3.71Å; V39-V42 HydrophobicContact CG1-CG2 3.76Å; V42-F58 WeakPolarHBondContact CA-O 3.33Å; V42-V59 HydrophobicContact CG2-CG1 4.16Å; V42-V59 HydrophobicContact CG2-CG2 4.23Å
43	H	94.8	Very high	94.2	Very high	80 Å²	80	68.1 Å²	68.1	37%	0.37	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.2	178	180	58.9	0	0	0	110.6	G57 F58	H43-G57 CarbonylContact O-C 3.5Å; H43-G57 WeakPolarHBondContact O-CA 3.42Å; H43-F58 PolarHBondContact N-O 2.87Å; H43-F58 PolarHBondContact O-N 3.41Å
44	M	94.9	Very high	94	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.02	37%	0.365	C	S	.	.			trans	-115.6	103.9	177.1	-163.6	-176.3	-155	0	0	110.7	L20 V24 E26 K46 H53 Y56	L20-M44 HydrophobicContact CB-CE 4.34Å; L20-M44 HydrophobicContact CD1-CE 3.56Å; V24-M44 HydrophobicContact CB-CE 4.43Å; V24-M44 HydrophobicContact CG1-CE 4.35Å; V24-M44 WeakPolarHBondContact O-CE 3.44Å; E26-M44 HydrophobicContact CG-CB 3.42Å; E26-M44 VanDerWaalsContact CG-CB 3.42Å; E26-M44 HydrophobicContact CG-SD 4.45Å; E26-M44 PolarHBondContact OE1-N 2.97Å; M44-K46 PolarHBondContact O-N 3.48Å; M44-H53 HydrophobicContact CE-CB 3.48Å; M44-H53 VanDerWaalsContact CE-CB 3.48Å; M44-H53 WeakPolarHBondContact CE-CD2 3.38Å; M44-H53 HydrophobicContact CG-CB 3.74Å; M44-H53 HydrophobicContact SD-CB 3.49Å; M44-H53 WeakPolarHBondContact SD-CB 3.12Å; M44-Y56 WeakPolarHBondContact CG-O 3.44Å
45	P	93.3	Very high	93.9	Very high	20 Å²	20	70.8 Å²	70.8	13%	0.13	36%	0.355	C	S	.	.			trans	-58.6	125.4	176.6	-26.7	36.6	0	0	0	112	H53 Q54 Y56 F58	P45-H53 WeakPolarHBondContact O-CA 3.21Å; P45-Q54 PolarHBondContact O-N 2.76Å; P45-Y56 HydrophobicContact CB-CE2 4.43Å; P45-Y56 HydrophobicContact CG-CE2 3.74Å; P45-F58 HydrophobicContact CG-CE2 4.24Å
46	K	94.3	Very high	93.9	Very high	79 Å²	79	66.4 Å²	66.4	34%	0.343	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-113	141.6	177.6	-65.8	169.1	-165.5	168	0	110.4	E26 M44 M51 Q52 H53	E26-K46 IonicContact OE2-NZ 2.96Å; E26-K46 PolarHBondContact OE2-NZ 2.75Å; M44-K46 PolarHBondContact O-N 3.48Å; K46-M51 HydrophobicContact CB-CE 4.49Å; K46-M51 HydrophobicContact CD-CE 4.29Å; K46-Q52 CarbonylContact C-O 3.57Å; K46-Q52 VanDerWaalsContact CA-O 3.31Å; K46-Q52 WeakPolarHBondContact CA-O 3.31Å; K46-H53 HydrophobicContact CG-CB 4.07Å
47	D	91.8	Very high	93.9	Very high	56 Å²	56	66 Å²	66	30%	0.299	33%	0.329	S	S	.	.			trans	-65.7	132.5	168.6	171.7	10.2	0	0	0	109	I49 N50 M51 Q52	D47-I49 PolarHBondContact O-N 3.03Å; D47-I49 PolarHBondContact OD1-N 2.87Å; D47-I49 VanDerWaalsContact OD1-N 3.07Å; D47-N50 WeakPolarHBondContact CB-OD1 3.37Å; D47-N50 PolarHBondContact OD2-ND2 2.89Å; D47-N50 PolarHBondContact OD2-OD1 2.76Å; D47-M51 VanDerWaalsContact O-CA 3.23Å; D47-M51 WeakPolarHBondContact O-CA 3.46Å; D47-M51 PolarHBondContact O-N 2.92Å; D47-Q52 PolarHBondContact N-O 2.86Å
48	R	89.7	Confident	93.9	Very high	231 Å²	231	67.7 Å²	67.7	87%	0.872	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.1	-172.6	-168	178.6	-69.7	-156.9	-0.9	112.2
49	I	91.7	Very high	93.8	Very high	156 Å²	156	64.4 Å²	64.4	80%	0.8	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-56.3	-174.9	-58.2	176.3	0	0	0	111.2	D47	D47-I49 PolarHBondContact O-N 3.03Å; D47-I49 PolarHBondContact OD1-N 2.87Å; D47-I49 VanDerWaalsContact OD1-N 3.07Å
50	N	91.3	Very high	93.8	Very high	86 Å²	86	65.3 Å²	65.3	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.9	-174.9	50.1	23	0	0	0	112.9	D47 Q52	D47-N50 WeakPolarHBondContact CB-OD1 3.37Å; D47-N50 PolarHBondContact OD2-ND2 2.89Å; D47-N50 PolarHBondContact OD2-OD1 2.76Å; N50-Q52 HydrophobicContact CB-CG 4.28Å; N50-Q52 PolarHBondContact O-N 3.36Å; N50-Q52 VanDerWaalsContact O-N 3.08Å; N50-Q52 PolarHBondContact OD1-N 3.45Å
51	M	88.3	Confident	93.9	Very high	123 Å²	123	62.2 Å²	62.2	61%	0.606	30%	0.296	S	S	*	.			trans	58.5	15.3	-176.6	-66.7	-58.3	-39.7	0	0	114.6	K46 D47	K46-M51 HydrophobicContact CB-CE 4.49Å; K46-M51 HydrophobicContact CD-CE 4.29Å; D47-M51 VanDerWaalsContact O-CA 3.23Å; D47-M51 WeakPolarHBondContact O-CA 3.46Å; D47-M51 PolarHBondContact O-N 2.92Å
52	Q	91.3	Very high	93.9	Very high	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.306	S	S	.	.			trans	-86.8	143.9	178.5	-68.8	-63.8	-27.8	0	0	110.1	K46 D47 N50	K46-Q52 CarbonylContact C-O 3.57Å; K46-Q52 VanDerWaalsContact CA-O 3.31Å; K46-Q52 WeakPolarHBondContact CA-O 3.31Å; D47-Q52 PolarHBondContact N-O 2.86Å; N50-Q52 HydrophobicContact CB-CG 4.28Å; N50-Q52 PolarHBondContact O-N 3.36Å; N50-Q52 VanDerWaalsContact O-N 3.08Å; N50-Q52 PolarHBondContact OD1-N 3.45Å
53	H	94.4	Very high	93.8	Very high	20 Å²	20	66.1 Å²	66.1	9%	0.093	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-73.6	155.2	175.1	63.6	64.9	0	0	0	111.5	D21 E22 V24 M44 P45 K46 G55	D21-H53 VanDerWaalsContact C-CE1 3.49Å; D21-H53 PolarHBondContact O-CE1 3.3Å; D21-H53 PolarHBondContact O-NE2 3.02Å; E22-H53 VanDerWaalsContact C-NE2 3.25Å; E22-H53 WeakPolarHBondContact CA-CE1 3.36Å; E22-H53 VanDerWaalsContact CA-NE2 3.28Å; E22-H53 WeakPolarHBondContact CA-NE2 3.37Å; E22-H53 PolarHBondContact O-NE2 3.38Å; V24-H53 PolarHBondContact O-CD2 3.07Å; V24-H53 PolarHBondContact O-NE2 2.93Å; M44-H53 HydrophobicContact CE-CB 3.48Å; M44-H53 VanDerWaalsContact CE-CB 3.48Å; M44-H53 WeakPolarHBondContact CE-CD2 3.38Å; M44-H53 HydrophobicContact CG-CB 3.74Å; M44-H53 HydrophobicContact SD-CB 3.49Å; M44-H53 WeakPolarHBondContact SD-CB 3.12Å; P45-H53 WeakPolarHBondContact O-CA 3.21Å; K46-H53 HydrophobicContact CG-CB 4.07Å; H53-G55 PolarHBondContact ND1-N 3.43Å; H53-G55 VanDerWaalsContact ND1-N 3.15Å; H53-G55 PolarHBondContact O-N 3.23Å
54	Q	92.9	Very high	93.9	Very high	112 Å²	112	66 Å²	66	52%	0.523	32%	0.315	S	S	.	.			trans	-82.9	10	-176.1	-61.6	-178.7	18.1	0	0	114.2	P45 Y56	P45-Q54 PolarHBondContact O-N 2.76Å; Q54-Y56 HydrophobicContact CB-CD1 3.8Å; Q54-Y56 HydrophobicContact CB-CE1 3.47Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.47Å; Q54-Y56 HydrophobicContact CG-CE1 4.43Å; Q54-Y56 PolarHBondContact OE1-OH 2.87Å
55	G	94	Very high	93.9	Very high	18 Å²	18	72.1 Å²	72.1	19%	0.186	34%	0.344	C	S	.	.	S	Bend	trans	83.6	13.4	178.1	0	0	0	0	0	113.7	G19 L20 H53	G19-G55 PolarHBondContact N-O 2.65Å; L20-G55 WeakPolarHBondContact CB-O 3.49Å; L20-G55 PolarHBondContact N-O 3.44Å; H53-G55 PolarHBondContact ND1-N 3.43Å; H53-G55 VanDerWaalsContact ND1-N 3.15Å; H53-G55 PolarHBondContact O-N 3.23Å
56	Y	95.2	Very high	94.1	Very high	58 Å²	58	73 Å²	73	23%	0.227	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.1	172.7	73	-84.7	0	0	0	111.5	Y16 V17 M44 P45 Q54 F58	Y16-Y56 HydrophobicContact CD2-CD2 4.08Å; Y16-Y56 AromaticContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CD2 3.49Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CE2 4.36Å; Y16-Y56 AromaticContact CE2-CG 3.71Å; Y16-Y56 HydrophobicContact CE2-CG 3.71Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.46Å; V17-Y56 CarbonylContact O-C 3.55Å; V17-Y56 WeakPolarHBondContact O-CA 3.19Å; V17-Y56 WeakPolarHBondContact O-CB 3.43Å; M44-Y56 WeakPolarHBondContact CG-O 3.44Å; P45-Y56 HydrophobicContact CB-CE2 4.43Å; P45-Y56 HydrophobicContact CG-CE2 3.74Å; Q54-Y56 HydrophobicContact CB-CD1 3.8Å; Q54-Y56 HydrophobicContact CB-CE1 3.47Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.47Å; Q54-Y56 HydrophobicContact CG-CE1 4.43Å; Q54-Y56 PolarHBondContact OE1-OH 2.87Å; Y56-F58 HydrophobicContact CD2-CE2 4.07Å; Y56-F58 HydrophobicContact CD2-CZ 4.29Å; Y56-F58 AromaticContact CE2-CE2 3.61Å; Y56-F58 HydrophobicContact CE2-CE2 3.61Å; Y56-F58 AromaticContact CE2-CZ 3.92Å; Y56-F58 HydrophobicContact CE2-CZ 3.92Å
57	G	95.7	Very high	94.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	173	175.3	0	0	0	0	0	111.5	V17 H43	V17-G57 PolarHBondContact N-O 2.95Å; V17-G57 PolarHBondContact O-N 3.14Å; H43-G57 CarbonylContact O-C 3.5Å; H43-G57 WeakPolarHBondContact O-CA 3.42Å
58	F	96	Very high	94.3	Very high	47 Å²	47	68.9 Å²	68.9	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135	174.8	-60.1	-84.5	0	0	0	109.2	T14 I15 Y16 V42 H43 P45 Y56 A89	T14-F58 HydrophobicContact CG2-CB 3.97Å; T14-F58 HydrophobicContact CG2-CD1 4.31Å; I15-F58 VanDerWaalsContact O-CA 3.29Å; I15-F58 WeakPolarHBondContact O-CA 3.49Å; Y16-F58 AromaticContact CD2-CE1 3.94Å; Y16-F58 HydrophobicContact CD2-CE1 3.94Å; Y16-F58 HydrophobicContact CD2-CZ 4.27Å; V42-F58 WeakPolarHBondContact CA-O 3.33Å; H43-F58 PolarHBondContact N-O 2.87Å; H43-F58 PolarHBondContact O-N 3.41Å; P45-F58 HydrophobicContact CG-CE2 4.24Å; Y56-F58 HydrophobicContact CD2-CE2 4.07Å; Y56-F58 HydrophobicContact CD2-CZ 4.29Å; Y56-F58 AromaticContact CE2-CE2 3.61Å; Y56-F58 HydrophobicContact CE2-CE2 3.61Å; Y56-F58 AromaticContact CE2-CZ 3.92Å; Y56-F58 HydrophobicContact CE2-CZ 3.92Å; F58-A89 HydrophobicContact CD1-CB 4.14Å; F58-A89 HydrophobicContact CE1-CB 4.35Å
59	V	96.9	Very high	94.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.8	177.2	-176.7	0	0	0	0	107.5	T14 I15 V17 F33 V39 V42 F61	T14-V59 CarbonylContact C-O 3.4Å; T14-V59 WeakPolarHBondContact CA-O 3.44Å; I15-V59 HydrophobicContact CD1-CB 4.06Å; I15-V59 HydrophobicContact CG1-CB 3.73Å; I15-V59 WeakPolarHBondContact CG1-O 3.39Å; I15-V59 PolarHBondContact N-O 3.01Å; I15-V59 PolarHBondContact O-N 3.1Å; V17-V59 HydrophobicContact CG2-CG2 3.88Å; F33-V59 HydrophobicContact CB-CG1 3.96Å; F33-V59 HydrophobicContact CD2-CG2 3.89Å; F33-V59 HydrophobicContact CE2-CG2 4.24Å; F33-V59 HydrophobicContact CG-CG1 4.19Å; F33-V59 HydrophobicContact CG-CG2 4.29Å; V39-V59 HydrophobicContact CG1-CG1 3.77Å; V39-V59 HydrophobicContact CG2-CG1 4.16Å; V42-V59 HydrophobicContact CG2-CG1 4.16Å; V42-V59 HydrophobicContact CG2-CG2 4.23Å; V59-F61 HydrophobicContact CG1-CD2 4.46Å; V59-F61 HydrophobicContact CG1-CE2 3.95Å; V59-F61 HydrophobicContact CG1-CZ 4.17Å
60	E	96.4	Very high	94.9	Very high	32 Å²	32	56.1 Å²	56.1	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.9	178.2	-175.3	170.5	-163.6	0	0	108.9	N10 V40 N41	N10-E60 WeakPolarHBondContact CB-OE1 3.33Å; N10-E60 PolarHBondContact N-OE1 3.49Å; N10-E60 VanDerWaalsContact N-OE1 3.16Å; V40-E60 HydrophobicContact CB-CG 4.25Å; V40-E60 PolarHBondContact N-O 2.88Å; N41-E60 HydrophobicContact CB-CB 4.17Å; N41-E60 PolarHBondContact N-O 3.35Å; N41-E60 PolarHBondContact O-N 2.77Å
61	F	97.5	Very high	95	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	163.8	174.9	-73.5	-86.4	0	0	0	111.1	A13 I15 F33 A36 V39 V59 T63 D66 A67 A70	A13-F61 WeakPolarHBondContact CB-O 3.3Å; A13-F61 PolarHBondContact O-N 3.36Å; I15-F61 HydrophobicContact CD1-CE2 3.66Å; I15-F61 HydrophobicContact CD1-CZ 4.39Å; I15-F61 HydrophobicContact CG1-CD2 4.49Å; I15-F61 HydrophobicContact CG1-CE2 3.92Å; F33-F61 HydrophobicContact CB-CZ 4Å; F33-F61 HydrophobicContact CD1-CE2 4.4Å; F33-F61 AromaticContact CD1-CZ 3.9Å; F33-F61 HydrophobicContact CD1-CZ 3.9Å; F33-F61 HydrophobicContact CG-CZ 4.36Å; A36-F61 HydrophobicContact CB-CE1 4.35Å; A36-F61 HydrophobicContact CB-CZ 4.35Å; V39-F61 HydrophobicContact CG2-CD1 4.34Å; V39-F61 HydrophobicContact CG2-CE1 3.94Å; V39-F61 HydrophobicContact CG2-CZ 4.47Å; V59-F61 HydrophobicContact CG1-CD2 4.46Å; V59-F61 HydrophobicContact CG1-CE2 3.95Å; V59-F61 HydrophobicContact CG1-CZ 4.17Å; F61-T63 WeakPolarHBondContact CB-O 3.43Å; F61-T63 PolarHBondContact O-N 3.31Å; F61-D66 HydrophobicContact CB-CB 3.88Å; F61-D66 HydrophobicContact CD1-CB 3.79Å; F61-D66 HydrophobicContact CG-CB 3.98Å; F61-A67 HydrophobicContact CB-CB 4.3Å; F61-A67 HydrophobicContact CD2-CB 3.85Å; F61-A67 HydrophobicContact CG-CB 4.39Å; F61-A70 HydrophobicContact CE1-CB 4.23Å; F61-A70 HydrophobicContact CE2-CB 3.56Å; F61-A70 HydrophobicContact CZ-CB 3.38Å
62	M	95.2	Very high	95.2	Very high	123 Å²	123	57.1 Å²	57.1	61%	0.606	27%	0.265	S	S	*	.	S	Bend	trans	-66.2	-30.1	175.1	-165.1	67.4	72.7	0	0	112.2	P38 V40	P38-M62 HydrophobicContact CB-CB 4.17Å; P38-M62 PolarHBondContact O-N 2.87Å; V40-M62 HydrophobicContact CG2-CB 4.14Å; V40-M62 HydrophobicContact CG2-CE 3.87Å; V40-M62 HydrophobicContact CG2-SD 3.82Å
63	T	95.3	Very high	95.3	Very high	48 Å²	48	56 Å²	56	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-133.1	156.8	-177.7	74.1	0	0	0	0	111.6	F61 E65 D66 A67	F61-T63 WeakPolarHBondContact CB-O 3.43Å; F61-T63 PolarHBondContact O-N 3.31Å; T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 VanDerWaalsContact CB-OE2 3.31Å; T63-E65 WeakPolarHBondContact CB-OE2 3.25Å; T63-D66 WeakPolarHBondContact OG1-CB 3.42Å; T63-D66 PolarHBondContact OG1-N 3.31Å; T63-D66 VanDerWaalsContact OG1-N 3.08Å; T63-D66 PolarHBondContact OG1-OD2 3.35Å; T63-A67 PolarHBondContact O-N 3.09Å
64	E	95.1	Very high	95.4	Very high	76 Å²	76	55.5 Å²	55.5	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-35.2	173.2	175.6	172.5	-163.3	0	0	110.8	D12 D66 A67 D68 K88	D12-E64 HydrophobicContact CB-CG 4.39Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 3.41Å; E64-A67 WeakPolarHBondContact O-CB 3.27Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-A67 VanDerWaalsContact O-N 3.14Å; E64-D68 PolarHBondContact O-N 3.4Å; E64-K88 IonicContact OE1-NZ 2.89Å; E64-K88 PolarHBondContact OE1-NZ 2.82Å
65	E	96.3	Very high	95.4	Very high	134 Å²	134	51.1 Å²	51.1	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-61.6	-40.6	178.7	-62.7	83.4	175.8	0	0	111.9	T63 Y69	T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 VanDerWaalsContact CB-OE2 3.31Å; T63-E65 WeakPolarHBondContact CB-OE2 3.25Å; E65-Y69 VanDerWaalsContact O-CB 3.25Å; E65-Y69 WeakPolarHBondContact O-CB 3.31Å; E65-Y69 PolarHBondContact O-N 3.38Å
66	D	96.9	Very high	95.4	Very high	39 Å²	39	50.5 Å²	50.5	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-39.1	174.9	-66.8	-40.7	0	0	0	111.4	F61 T63 E64 Y69 A70	F61-D66 HydrophobicContact CB-CB 3.88Å; F61-D66 HydrophobicContact CD1-CB 3.79Å; F61-D66 HydrophobicContact CG-CB 3.98Å; T63-D66 WeakPolarHBondContact OG1-CB 3.42Å; T63-D66 PolarHBondContact OG1-N 3.31Å; T63-D66 VanDerWaalsContact OG1-N 3.08Å; T63-D66 PolarHBondContact OG1-OD2 3.35Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 3.41Å; D66-Y69 PolarHBondContact O-N 3.35Å; D66-A70 VanDerWaalsContact O-CB 3.25Å; D66-A70 WeakPolarHBondContact O-CB 2.92Å; D66-A70 PolarHBondContact O-N 3.5Å
67	A	96.1	Very high	95.4	Very high	3 Å²	3	50.1 Å²	50.1	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-46.1	177	0	0	0	0	0	112	I15 F61 T63 E64 Y69 A70 M71	I15-A67 HydrophobicContact CG2-CB 3.96Å; I15-A67 WeakPolarHBondContact CG2-O 3.41Å; F61-A67 HydrophobicContact CB-CB 4.3Å; F61-A67 HydrophobicContact CD2-CB 3.85Å; F61-A67 HydrophobicContact CG-CB 4.39Å; T63-A67 PolarHBondContact O-N 3.09Å; E64-A67 WeakPolarHBondContact O-CB 3.27Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-A67 VanDerWaalsContact O-N 3.14Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; A67-A70 PolarHBondContact O-N 3.05Å; A67-M71 WeakPolarHBondContact O-CB 3.42Å; A67-M71 PolarHBondContact O-N 2.91Å
68	D	94.8	Very high	95.3	Very high	44 Å²	44	53.6 Å²	53.6	24%	0.235	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-39.2	175.2	-88.2	-26	0	0	0	112	E64 M71 R72	E64-D68 PolarHBondContact O-N 3.4Å; D68-M71 WeakPolarHBondContact OD1-CE 3.09Å; D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3.12Å
69	Y	96.7	Very high	95.3	Very high	119 Å²	119	52.6 Å²	52.6	47%	0.467	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-51.9	174.7	178.8	-110.4	0	0	0	111.1	A36 E65 D66 A67 M71 R72 I73	A36-Y69 HydrophobicContact CB-CD1 4.28Å; A36-Y69 HydrophobicContact CB-CE1 4.49Å; A36-Y69 WeakPolarHBondContact O-CD1 3.5Å; E65-Y69 VanDerWaalsContact O-CB 3.25Å; E65-Y69 WeakPolarHBondContact O-CB 3.31Å; E65-Y69 PolarHBondContact O-N 3.38Å; D66-Y69 PolarHBondContact O-N 3.35Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-M71 VanDerWaalsContact C-N 3.27Å; Y69-M71 PolarHBondContact O-N 3.38Å; Y69-R72 PolarHBondContact O-N 3.37Å; Y69-I73 HydrophobicContact CD1-CD1 4.06Å; Y69-I73 HydrophobicContact CD1-CG1 4.19Å; Y69-I73 HydrophobicContact CD2-CG2 4.31Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 3.93Å; Y69-I73 HydrophobicContact CE2-CG1 4.42Å; Y69-I73 HydrophobicContact CE2-CG2 3.78Å; Y69-I73 VanDerWaalsContact O-CG1 3.26Å; Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 3.4Å
70	A	96.9	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-41.5	177.2	0	0	0	0	0	112	I15 F33 A36 F61 D66 A67 R72 M74	I15-A70 HydrophobicContact CD1-CB 4.32Å; F33-A70 HydrophobicContact CD1-CB 4.23Å; F33-A70 HydrophobicContact CE1-CB 4.46Å; A36-A70 HydrophobicContact CB-CB 3.58Å; F61-A70 HydrophobicContact CE1-CB 4.23Å; F61-A70 HydrophobicContact CE2-CB 3.56Å; F61-A70 HydrophobicContact CZ-CB 3.38Å; D66-A70 VanDerWaalsContact O-CB 3.25Å; D66-A70 WeakPolarHBondContact O-CB 2.92Å; D66-A70 PolarHBondContact O-N 3.5Å; A67-A70 PolarHBondContact O-N 3.05Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 3.17Å; A70-M74 HydrophobicContact CB-CG 4.47Å; A70-M74 WeakPolarHBondContact O-CA 3.23Å; A70-M74 WeakPolarHBondContact O-CB 3.33Å; A70-M74 WeakPolarHBondContact O-CG 3.31Å; A70-M74 PolarHBondContact O-N 3.18Å
71	M	93.7	Very high	94.9	Very high	46 Å²	46	60 Å²	60	23%	0.227	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-38.9	176.3	-177.9	176.6	57.8	0	0	112.5	A67 D68 Y69 N75 V86 K88	A67-M71 WeakPolarHBondContact O-CB 3.42Å; A67-M71 PolarHBondContact O-N 2.91Å; D68-M71 WeakPolarHBondContact OD1-CE 3.09Å; Y69-M71 VanDerWaalsContact C-N 3.27Å; Y69-M71 PolarHBondContact O-N 3.38Å; M71-N75 VanDerWaalsContact O-CB 3.3Å; M71-N75 WeakPolarHBondContact O-CB 3.27Å; M71-V86 HydrophobicContact CB-CG1 4.19Å; M71-V86 HydrophobicContact CG-CG1 4.36Å; M71-K88 HydrophobicContact SD-CB 4.39Å; M71-K88 PolarHBondContact SD-N 2.93Å; M71-K88 VanDerWaalsContact SD-N 3.42Å
72	R	91.7	Very high	94.6	Very high	185 Å²	185	64 Å²	64	70%	0.698	31%	0.308	S	S	*	.	H	α-helix	trans	-74.9	-46.4	-179.7	-67.1	170.2	-165.8	166.2	8.8	112.3	D68 Y69 A70	D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3.12Å; Y69-R72 PolarHBondContact O-N 3.37Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 3.17Å
73	I	94.1	Very high	94.6	Very high	69 Å²	69	59.2 Å²	59.2	35%	0.354	29%	0.286	S	S	.	.	H	α-helix	trans	-88.1	-27	-170.8	60	142.9	0	0	0	114	A36 Y69	A36-I73 HydrophobicContact CB-CD1 4.05Å; Y69-I73 HydrophobicContact CD1-CD1 4.06Å; Y69-I73 HydrophobicContact CD1-CG1 4.19Å; Y69-I73 HydrophobicContact CD2-CG2 4.31Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 3.93Å; Y69-I73 HydrophobicContact CE2-CG1 4.42Å; Y69-I73 HydrophobicContact CE2-CG2 3.78Å; Y69-I73 VanDerWaalsContact O-CG1 3.26Å; Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 3.4Å
74	M	95.2	Very high	94.6	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-95.4	-10.8	-175.9	-53.5	-60.5	-87.8	0	0	113.6	L32 F33 A36 A70 I77 V86	L32-M74 HydrophobicContact CD1-CE 3.51Å; L32-M74 HydrophobicContact CD2-CE 4.36Å; L32-M74 HydrophobicContact CG-CE 3.5Å; L32-M74 VanDerWaalsContact CG-CE 3.5Å; L32-M74 WeakPolarHBondContact O-CE 3.47Å; F33-M74 HydrophobicContact CD1-CB 4.38Å; F33-M74 HydrophobicContact CD1-CE 4.46Å; F33-M74 HydrophobicContact CD1-CG 4.03Å; F33-M74 HydrophobicContact CE1-CB 3.66Å; F33-M74 HydrophobicContact CE1-CG 3.82Å; F33-M74 HydrophobicContact CZ-CB 4.23Å; A36-M74 HydrophobicContact CB-CG 4.22Å; A70-M74 HydrophobicContact CB-CG 4.47Å; A70-M74 WeakPolarHBondContact O-CA 3.23Å; A70-M74 WeakPolarHBondContact O-CB 3.33Å; A70-M74 WeakPolarHBondContact O-CG 3.31Å; A70-M74 PolarHBondContact O-N 3.18Å; M74-I77 HydrophobicContact CB-CD1 4.16Å; M74-I77 HydrophobicContact CE-CD1 3.98Å; M74-I77 WeakPolarHBondContact O-CG1 3.43Å; M74-I77 PolarHBondContact O-N 3.35Å; M74-I77 HydrophobicContact SD-CD1 3.62Å; M74-V86 HydrophobicContact CB-CG2 4.3Å
75	N	94.5	Very high	94.5	Very high	21 Å²	21	56 Å²	56	11%	0.112	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	140.3	177.1	-169	38.1	0	0	0	110.8	M71 I77 R85 V86	M71-N75 VanDerWaalsContact O-CB 3.3Å; M71-N75 WeakPolarHBondContact O-CB 3.27Å; N75-I77 VanDerWaalsContact C-N 3.25Å; N75-I77 PolarHBondContact O-N 3.5Å; N75-R85 WeakPolarHBondContact OD1-CA 3.09Å; N75-V86 HydrophobicContact CB-CB 4.3Å; N75-V86 PolarHBondContact OD1-N 2.88Å
76	M	93.6	Very high	94.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.02	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	10.1	-179.3	-57.8	-65.5	-62.8	0	0	116.1	P83 I84 E113 K114 Y117 T129	M76-P83 HydrophobicContact CE-CB 4.05Å; M76-P83 HydrophobicContact SD-CB 4.41Å; M76-I84 WeakPolarHBondContact CA-O 3.31Å; M76-I84 PolarHBondContact N-O 3.2Å; M76-E113 VanDerWaalsContact CE-C 3.42Å; M76-E113 HydrophobicContact CE-CB 3.65Å; M76-E113 WeakPolarHBondContact CE-O 3.34Å; M76-K114 HydrophobicContact CB-CB 4.01Å; M76-K114 HydrophobicContact CB-CG 3.95Å; M76-Y117 HydrophobicContact CG-CD1 4.12Å; M76-Y117 HydrophobicContact CG-CD2 4.37Å; M76-Y117 HydrophobicContact CG-CG 3.93Å; M76-Y117 HydrophobicContact SD-CD2 4.36Å; M76-Y117 HydrophobicContact SD-CG 4.39Å; M76-T129 HydrophobicContact CE-CG2 3.6Å; M76-T129 HydrophobicContact SD-CG2 3.88Å
77	I	94.5	Very high	94.2	Very high	50 Å²	50	50 Å²	50	26%	0.256	24%	0.238	S	C	.	.			trans	-65.4	137.3	169.3	-68.2	-178.9	0	0	0	110	M74 N75 P83 I84	M74-I77 HydrophobicContact CB-CD1 4.16Å; M74-I77 HydrophobicContact CE-CD1 3.98Å; M74-I77 WeakPolarHBondContact O-CG1 3.43Å; M74-I77 PolarHBondContact O-N 3.35Å; M74-I77 HydrophobicContact SD-CD1 3.62Å; N75-I77 VanDerWaalsContact C-N 3.25Å; N75-I77 PolarHBondContact O-N 3.5Å; I77-P83 CarbonylContact O-C 3.6Å; I77-P83 WeakPolarHBondContact O-CA 3.37Å; I77-I84 HydrophobicContact CB-CD1 4.14Å; I77-I84 HydrophobicContact CB-CG1 4.23Å; I77-I84 WeakPolarHBondContact O-CG1 3.13Å; I77-I84 PolarHBondContact O-N 2.95Å
78	K	94.2	Very high	94	Very high	74 Å²	74	52.2 Å²	52.2	32%	0.322	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.3	178.4	-67.8	-179.6	176.5	179.4	0	111.2	K82 P83 D112 E113	K78-K82 CarbonylContact C-O 3.56Å; K78-K82 WeakPolarHBondContact CA-O 3.35Å; K78-P83 HydrophobicContact CG-CB 4.45Å; K78-D112 IonicContact NZ-OD1 3.35Å; K78-D112 PolarHBondContact NZ-OD1 2.98Å; K78-D112 IonicContact NZ-OD2 2.79Å; K78-D112 PolarHBondContact NZ-OD2 2.8Å; K78-E113 WeakPolarHBondContact CE-OE2 3.49Å; K78-E113 IonicContact NZ-OE2 2.73Å; K78-E113 PolarHBondContact NZ-OE2 2.78Å
79	L	94.9	Very high	93.7	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.2	165.6	-69.6	-176.4	0	0	0	109.2	L20 V24 L29 L32 G81 K82 I84	L20-L79 HydrophobicContact CD2-CD1 4.36Å; V24-L79 HydrophobicContact CG1-CD1 4.46Å; V24-L79 HydrophobicContact CG2-CB 4.31Å; V24-L79 HydrophobicContact CG2-CD1 4.18Å; L29-L79 HydrophobicContact CD2-CD1 4.44Å; L32-L79 HydrophobicContact CD2-CD1 3.81Å; L32-L79 HydrophobicContact CD2-CD2 4.09Å; L32-L79 HydrophobicContact CD2-CG 4.21Å; L79-G81 PolarHBondContact O-N 3.36Å; L79-G81 VanDerWaalsContact O-N 3.15Å; L79-K82 PolarHBondContact N-O 3.15Å; L79-K82 PolarHBondContact O-N 3.45Å; L79-I84 HydrophobicContact CB-CG2 4.07Å; L79-I84 HydrophobicContact CD1-CG2 3.8Å; L79-I84 HydrophobicContact CG-CG2 3.85Å
80	Y	94.9	Very high	93	Very high	129 Å²	129	48.7 Å²	48.7	51%	0.506	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.1	-174.6	-59.9	-75.3	0	0	0	113.2	D21 K23 V24 I28 K82	D21-Y80 HydrophobicContact CB-CD2 3.95Å; D21-Y80 HydrophobicContact CB-CG 4.25Å; K23-Y80 HydrophobicContact CB-CD1 4.43Å; K23-Y80 HydrophobicContact CB-CD2 4.08Å; K23-Y80 HydrophobicContact CB-CE1 4.16Å; K23-Y80 HydrophobicContact CB-CE2 3.76Å; K23-Y80 HydrophobicContact CB-CG 4.38Å; K23-Y80 HydrophobicContact CD-CD1 4.24Å; K23-Y80 HydrophobicContact CD-CE1 4.32Å; V24-Y80 HydrophobicContact CG2-CD2 3.64Å; V24-Y80 HydrophobicContact CG2-CE2 3.72Å; I28-Y80 HydrophobicContact CD1-CE2 4.26Å; I28-Y80 WeakPolarHBondContact CD1-OH 3.44Å; Y80-K82 PolarHBondContact O-N 3.18Å
81	G	91.1	Very high	92	Very high	59 Å²	59	51.4 Å²	51.4	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-8	-178.8	0	0	0	0	0	115.2	L79	L79-G81 PolarHBondContact O-N 3.36Å; L79-G81 VanDerWaalsContact O-N 3.15Å
82	K	91.9	Very high	90.4	Very high	87 Å²	87	55.1 Å²	55.1	38%	0.378	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.4	177	-67	177.7	66.5	-168.9	0	111.1	G19 L20 D21 K78 L79 Y80 I84	G19-K82 WeakPolarHBondContact O-CE 3.45Å; L20-K82 PolarHBondContact O-NZ 3.42Å; D21-K82 HydrophobicContact CB-CD 3.97Å; D21-K82 WeakPolarHBondContact OD2-CD 3.15Å; K78-K82 CarbonylContact C-O 3.56Å; K78-K82 WeakPolarHBondContact CA-O 3.35Å; L79-K82 PolarHBondContact N-O 3.15Å; L79-K82 PolarHBondContact O-N 3.45Å; Y80-K82 PolarHBondContact O-N 3.18Å; K82-I84 PolarHBondContact O-N 3.29Å
83	P	93.8	Very high	89	Confident	21 Å²	21	51.3 Å²	51.3	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.7	174	28.5	-34.2	0	0	0	110.6	M76 I77 K78 E113 T129	M76-P83 HydrophobicContact CE-CB 4.05Å; M76-P83 HydrophobicContact SD-CB 4.41Å; I77-P83 CarbonylContact O-C 3.6Å; I77-P83 WeakPolarHBondContact O-CA 3.37Å; K78-P83 HydrophobicContact CG-CB 4.45Å; P83-E113 HydrophobicContact CG-CB 4.39Å; P83-E113 HydrophobicContact CG-CG 4.43Å; P83-T129 HydrophobicContact CB-CG2 4.14Å; P83-T129 HydrophobicContact CG-CG2 3.49Å; P83-T129 VanDerWaalsContact CG-CG2 3.49Å
84	I	95.4	Very high	87.5	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-79.9	148.7	175.2	73	-177.6	0	0	0	110.4	V17 G18 L20 L32 F33 M76 I77 L79 K82 V86	V17-I84 HydrophobicContact CG1-CB 4.38Å; V17-I84 HydrophobicContact CG1-CD1 4.39Å; G18-I84 WeakPolarHBondContact O-CA 3.48Å; L20-I84 HydrophobicContact CD2-CB 4.48Å; L20-I84 HydrophobicContact CD2-CG2 3.82Å; L32-I84 HydrophobicContact CD2-CD1 3.97Å; F33-I84 HydrophobicContact CZ-CD1 4.26Å; M76-I84 WeakPolarHBondContact CA-O 3.31Å; M76-I84 PolarHBondContact N-O 3.2Å; I77-I84 HydrophobicContact CB-CD1 4.14Å; I77-I84 HydrophobicContact CB-CG1 4.23Å; I77-I84 WeakPolarHBondContact O-CG1 3.13Å; I77-I84 PolarHBondContact O-N 2.95Å; L79-I84 HydrophobicContact CB-CG2 4.07Å; L79-I84 HydrophobicContact CD1-CG2 3.8Å; L79-I84 HydrophobicContact CG-CG2 3.85Å; K82-I84 PolarHBondContact O-N 3.29Å; I84-V86 HydrophobicContact CD1-CG2 4.26Å; I84-V86 HydrophobicContact CG1-CG2 4.24Å
85	R	93.5	Very high	85.9	Confident	56 Å²	56	59.8 Å²	59.8	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.1	175.3	-64.7	-177.4	68.6	-171.6	-3	109.1	V17 G18 N75 L127 T129	V17-R85 CarbonylContact C-O 3.44Å; V17-R85 WeakPolarHBondContact CA-O 3.38Å; G18-R85 PolarHBondContact N-O 2.91Å; G18-R85 PolarHBondContact O-N 3.41Å; N75-R85 WeakPolarHBondContact OD1-CA 3.09Å; R85-L127 PolarHBondContact NH2-O 3.19Å; R85-T129 WeakPolarHBondContact CD-OG1 3.16Å; R85-T129 WeakPolarHBondContact CG-OG1 3.37Å
86	V	94.6	Very high	84.6	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.7	178.7	-169.9	0	0	0	0	109.4	I15 Y16 V17 F33 M71 M74 N75 I84	I15-V86 HydrophobicContact CB-CG1 4.01Å; I15-V86 HydrophobicContact CD1-CG1 3.54Å; I15-V86 HydrophobicContact CG1-CG1 4.3Å; I15-V86 HydrophobicContact CG2-CG1 4.38Å; Y16-V86 WeakPolarHBondContact O-CA 3.08Å; V17-V86 HydrophobicContact CG1-CG2 4.47Å; F33-V86 HydrophobicContact CE1-CG1 4.41Å; F33-V86 HydrophobicContact CE1-CG2 4.25Å; F33-V86 HydrophobicContact CZ-CG2 3.9Å; M71-V86 HydrophobicContact CB-CG1 4.19Å; M71-V86 HydrophobicContact CG-CG1 4.36Å; M74-V86 HydrophobicContact CB-CG2 4.3Å; N75-V86 HydrophobicContact CB-CB 4.3Å; N75-V86 PolarHBondContact OD1-N 2.88Å; I84-V86 HydrophobicContact CD1-CG2 4.26Å; I84-V86 HydrophobicContact CG1-CG2 4.24Å
87	N	92.5	Very high	83.8	Confident	47 Å²	47	64.2 Å²	64.2	25%	0.251	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.5	177.5	-63.7	-80	0	0	0	109.8	I15 Y16 A91	I15-N87 CarbonylContact C-O 3.53Å; I15-N87 WeakPolarHBondContact CA-O 3.33Å; Y16-N87 PolarHBondContact N-O 3.09Å; Y16-N87 PolarHBondContact O-N 3.31Å; N87-A91 HydrophobicContact CB-CB 4.44Å
88	K	91.7	Very high	83.3	Confident	49 Å²	49	63.2 Å²	63.2	21%	0.213	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.1	170.4	-158.6	164.9	-169.4	-172.9	0	109.9	D12 E64 M71 S90 A91	D12-K88 VanDerWaalsContact O-CE 3.25Å; D12-K88 WeakPolarHBondContact O-CE 3.37Å; D12-K88 WeakPolarHBondContact OD1-CE 3.42Å; D12-K88 IonicContact OD1-NZ 3.9Å; D12-K88 PolarHBondContact OD1-NZ 2.96Å; E64-K88 IonicContact OE1-NZ 2.89Å; E64-K88 PolarHBondContact OE1-NZ 2.82Å; M71-K88 HydrophobicContact SD-CB 4.39Å; M71-K88 PolarHBondContact SD-N 2.93Å; M71-K88 VanDerWaalsContact SD-N 3.42Å; K88-S90 PolarHBondContact O-N 2.88Å; K88-A91 WeakPolarHBondContact O-CB 3.38Å; K88-A91 PolarHBondContact O-N 2.92Å
89	A	89.4	Confident	82.8	Confident	32 Å²	32	59.9 Å²	59.9	26%	0.264	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.7	-176.9	0	0	0	0	0	112.9	T14 F58 A91	T14-A89 HydrophobicContact CG2-CB 3.8Å; T14-A89 WeakPolarHBondContact O-CB 3.25Å; T14-A89 PolarHBondContact O-N 3.06Å; F58-A89 HydrophobicContact CD1-CB 4.14Å; F58-A89 HydrophobicContact CE1-CB 4.35Å; A89-A91 PolarHBondContact O-N 2.86Å
90	S	81.6	Confident	82.5	Confident	57 Å²	57	58.7 Å²	58.7	40%	0.399	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.9	174.6	-46.8	0	0	0	0	113.7	K88 N92	K88-S90 PolarHBondContact O-N 2.88Å; S90-N92 PolarHBondContact O-N 2.84Å
91	A	74.8	Confident	82.5	Confident	57 Å²	57	53.7 Å²	53.7	47%	0.471	30%	0.299	S	S	.	.			trans	-69.8	98.7	179	0	0	0	0	0	109.3	N87 K88 A89 Q93	N87-A91 HydrophobicContact CB-CB 4.44Å; K88-A91 WeakPolarHBondContact O-CB 3.38Å; K88-A91 PolarHBondContact O-N 2.92Å; A89-A91 PolarHBondContact O-N 2.86Å; A91-Q93 PolarHBondContact O-N 3.11Å
92	N	61.6	Low	82.7	Confident	124 Å²	124	50.9 Å²	50.9	66%	0.663	27%	0.27	S	S	*	.			trans	-66.1	100.4	177.1	-162.2	-15.3	0	0	0	108.6	S90 K94	S90-N92 PolarHBondContact O-N 2.84Å; N92-K94 PolarHBondContact O-N 3.28Å
93	Q	61	Low	83	Confident	104 Å²	104	49.4 Å²	49.4	49%	0.486	26%	0.264	S	S	.	.			trans	-70.8	71.3	175.2	-171.5	73.2	77.8	0	0	109	A91 N95	A91-Q93 PolarHBondContact O-N 3.11Å; Q93-N95 PolarHBondContact O-N 3.19Å
94	K	62.2	Low	83.2	Confident	125 Å²	125	48.4 Å²	48.4	54%	0.543	26%	0.258	S	S	.	.			trans	-66	126.9	163.1	-65.9	179.5	-177.2	177.5	0	105.8	N92 L96	N92-K94 PolarHBondContact O-N 3.28Å; K94-L96 HydrophobicContact CB-CD1 3.75Å; K94-L96 HydrophobicContact CB-CD2 4.19Å; K94-L96 HydrophobicContact CB-CG 3.7Å; K94-L96 WeakPolarHBondContact O-CD1 3.18Å; K94-L96 WeakPolarHBondContact O-CG 3.43Å; K94-L96 PolarHBondContact O-N 3.44Å
95	N	61.9	Low	83.2	Confident	133 Å²	133	48.6 Å²	48.6	71%	0.711	26%	0.26	S	S	*	.			trans	-70.5	82.6	175.3	-167.7	6.3	0	0	0	107.8	Q93 D97	Q93-N95 PolarHBondContact O-N 3.19Å; N95-D97 PolarHBondContact O-N 2.92Å
96	L	67.2	Low	83.4	Confident	43 Å²	43	49.9 Å²	49.9	23%	0.225	27%	0.271	C	S	.	.			trans	-93.7	42.7	-174.2	-65.9	148.7	0	0	0	109.8	K94 I98 L127 L201	K94-L96 HydrophobicContact CB-CD1 3.75Å; K94-L96 HydrophobicContact CB-CD2 4.19Å; K94-L96 HydrophobicContact CB-CG 3.7Å; K94-L96 WeakPolarHBondContact O-CD1 3.18Å; K94-L96 WeakPolarHBondContact O-CG 3.43Å; K94-L96 PolarHBondContact O-N 3.44Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.09Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; L96-L201 HydrophobicContact CD1-CD1 3.22Å; L96-L201 HydrophobicContact CD1-CD2 3.59Å; L96-L201 HydrophobicContact CD1-CG 3.99Å; L96-L201 HydrophobicContact CD2-CD1 3.94Å; L96-L201 HydrophobicContact CG-CD1 4.16Å
97	D	77.9	Confident	83.5	Confident	75 Å²	75	49.8 Å²	49.8	40%	0.401	27%	0.27	S	S	.	.			trans	-68.6	97.3	175	-170	16	0	0	0	108.5	N95 G99 N101 N148	N95-D97 PolarHBondContact O-N 2.92Å; D97-G99 PolarHBondContact OD1-N 3.16Å; D97-N101 PolarHBondContact OD1-ND2 2.95Å; D97-N148 VanDerWaalsContact CG-ND2 3.34Å; D97-N148 PolarHBondContact OD1-ND2 3.01Å
98	I	83.8	Confident	83.7	Confident	28 Å²	28	48.1 Å²	48.1	14%	0.144	26%	0.261	C	S	.	.			trans	-83.1	0.3	175.7	56.7	163.1	0	0	0	111.9	L96 A100 A150 F152 A196	L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.09Å; I98-A100 HydrophobicContact CD1-CB 3.82Å; I98-A100 HydrophobicContact CG1-CB 3.83Å; I98-A150 VanDerWaalsContact CD1-O 3.23Å; I98-A150 WeakPolarHBondContact CD1-O 3.26Å; I98-F152 HydrophobicContact CB-CE2 4.36Å; I98-F152 HydrophobicContact CD1-CD2 3.88Å; I98-F152 HydrophobicContact CD1-CE2 3.96Å; I98-F152 HydrophobicContact CG1-CE2 4.28Å; I98-F152 WeakPolarHBondContact O-CE2 3.39Å; I98-F152 WeakPolarHBondContact O-CZ 3.48Å; I98-A196 HydrophobicContact CB-CB 3.93Å; I98-A196 HydrophobicContact CD1-CB 3.65Å; I98-A196 HydrophobicContact CG1-CB 4.37Å; I98-A196 HydrophobicContact CG2-CB 4.08Å
99	G	83	Confident	83.7	Confident	4 Å²	4	49.4 Å²	49.4	4%	0.041	28%	0.275	C	S	.	.	S	Bend	trans	82.8	17.6	-173.8	0	0	0	0	0	113.7	D97 N101 F152 H187	D97-G99 PolarHBondContact OD1-N 3.16Å; G99-N101 PolarHBondContact O-N 3.42Å; G99-F152 WeakPolarHBondContact O-CE1 3.25Å; G99-H187 WeakPolarHBondContact CA-ND1 3.39Å; G99-H187 WeakPolarHBondContact O-CB 3.49Å; G99-H187 PolarHBondContact O-ND1 3.36Å
100	A	89.7	Confident	83.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.			trans	-79.5	57.5	174.3	0	0	0	0	0	111.1	I98 F149 S151 F152 S155	I98-A100 HydrophobicContact CD1-CB 3.82Å; I98-A100 HydrophobicContact CG1-CB 3.83Å; A100-F149 HydrophobicContact CB-CB 4.25Å; A100-F149 WeakPolarHBondContact CB-O 3.5Å; A100-F149 PolarHBondContact O-N 3.43Å; A100-S151 WeakPolarHBondContact CB-O 3Å; A100-F152 HydrophobicContact CB-CD1 3.96Å; A100-F152 HydrophobicContact CB-CE1 4.03Å; A100-F152 HydrophobicContact CB-CG 4.23Å; A100-F152 HydrophobicContact CB-CZ 4.4Å; A100-S155 PolarHBondContact O-OG 3.33Å
101	N	93.8	Very high	84.5	Confident	24 Å²	24	52 Å²	52	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.3	-174.5	-68.4	-39.8	0	0	0	110.9	D97 G99 I147 N148 A177 H187	D97-N101 PolarHBondContact OD1-ND2 2.95Å; G99-N101 PolarHBondContact O-N 3.42Å; N101-I147 WeakPolarHBondContact CA-O 3.48Å; N101-N148 WeakPolarHBondContact OD1-CA 3.48Å; N101-N148 WeakPolarHBondContact OD1-CB 3.32Å; N101-N148 PolarHBondContact OD1-ND2 3.47Å; N101-N148 VanDerWaalsContact OD1-ND2 3.15Å; N101-N148 PolarHBondContact OD1-OD1 3.47Å; N101-A177 HydrophobicContact CB-CB 4.12Å; N101-A177 WeakPolarHBondContact O-CB 3.5Å; N101-A177 PolarHBondContact O-N 2.95Å; N101-H187 PolarHBondContact ND2-NE2 3.35Å
102	I	96.2	Very high	85.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.7	175.2	65.2	160.1	0	0	0	111.3	I104 F120 F146 I147 F149 A158 I159 I174	I102-I104 HydrophobicContact CD1-CD1 4.16Å; I102-I104 HydrophobicContact CD1-CG1 4.1Å; I102-F120 HydrophobicContact CD1-CD1 4.12Å; I102-F120 HydrophobicContact CD1-CE1 4.03Å; I102-F146 VanDerWaalsContact O-CA 3.31Å; I102-F146 WeakPolarHBondContact O-CA 3.39Å; I102-I147 HydrophobicContact CD1-CB 4.16Å; I102-I147 HydrophobicContact CG1-CB 3.75Å; I102-I147 PolarHBondContact N-O 2.95Å; I102-I147 PolarHBondContact O-N 3.06Å; I102-F149 HydrophobicContact CD1-CD2 4.48Å; I102-F149 HydrophobicContact CD1-CE2 3.66Å; I102-F149 HydrophobicContact CG1-CD2 4.34Å; I102-F149 HydrophobicContact CG1-CE2 3.97Å; I102-F149 HydrophobicContact CG2-CD2 4.49Å; I102-A158 HydrophobicContact CD1-CB 4.44Å; I102-I159 HydrophobicContact CG2-CD1 4.01Å; I102-I159 HydrophobicContact CG2-CG1 4.19Å; I102-I174 HydrophobicContact CB-CG2 4.29Å; I102-I174 HydrophobicContact CD1-CG2 3.84Å
103	F	97	Very high	86.9	Confident	57 Å²	57	47 Å²	47	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.3	168.6	167.3	-90.2	0	0	0	108.9	Y144 F146 I174 S175 A177	F103-Y144 HydrophobicContact CD2-CD2 4.18Å; F103-Y144 AromaticContact CE2-CD2 3.51Å; F103-Y144 HydrophobicContact CE2-CD2 3.51Å; F103-Y144 HydrophobicContact CE2-CE2 4.37Å; F103-Y144 AromaticContact CE2-CG 3.79Å; F103-Y144 HydrophobicContact CE2-CG 3.79Å; F103-Y144 HydrophobicContact CZ-CD2 4.45Å; F103-Y144 HydrophobicContact CZ-CG 4.32Å; F103-F146 HydrophobicContact CB-CD1 4.27Å; F103-F146 HydrophobicContact CB-CE1 4.08Å; F103-F146 HydrophobicContact CD2-CD1 4.39Å; F103-F146 AromaticContact CD2-CE1 3.72Å; F103-F146 HydrophobicContact CD2-CE1 3.72Å; F103-F146 AromaticContact CD2-CZ 3.89Å; F103-F146 HydrophobicContact CD2-CZ 3.89Å; F103-F146 HydrophobicContact CG-CE1 4.4Å; F103-I174 WeakPolarHBondContact O-CA 3.35Å; F103-S175 PolarHBondContact N-O 2.81Å; F103-S175 PolarHBondContact O-N 2.98Å; F103-A177 HydrophobicContact CB-CB 4.21Å
104	I	97.4	Very high	88.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.2	173.7	-53.8	165.2	0	0	0	107.7	I102 L107 L116 F120 Y144 A145 I147 I172 T173 I174	I102-I104 HydrophobicContact CD1-CD1 4.16Å; I102-I104 HydrophobicContact CD1-CG1 4.1Å; I104-L107 HydrophobicContact CG2-CD1 4.5Å; I104-L107 HydrophobicContact CG2-CD2 3.54Å; I104-L107 HydrophobicContact CG2-CG 4.05Å; I104-L116 HydrophobicContact CD1-CD2 4.15Å; I104-F120 HydrophobicContact CD1-CD2 4.04Å; I104-F120 HydrophobicContact CD1-CE1 4.09Å; I104-F120 HydrophobicContact CD1-CE2 3.43Å; I104-F120 VanDerWaalsContact CD1-CE2 3.43Å; I104-F120 HydrophobicContact CD1-CZ 3.45Å; I104-F120 VanDerWaalsContact CD1-CZ 3.45Å; I104-F120 HydrophobicContact CG1-CZ 4.18Å; I104-Y144 CarbonylContact O-C 3.57Å; I104-Y144 WeakPolarHBondContact O-CA 3.33Å; I104-Y144 VanDerWaalsContact O-CB 3.27Å; I104-Y144 WeakPolarHBondContact O-CB 3.38Å; I104-A145 PolarHBondContact N-O 3.37Å; I104-A145 PolarHBondContact O-N 2.91Å; I104-I147 HydrophobicContact CD1-CD1 3.42Å; I104-I147 VanDerWaalsContact CD1-CD1 3.42Å; I104-I147 HydrophobicContact CD1-CG1 3.82Å; I104-I172 HydrophobicContact CG2-CB 4.02Å; I104-I172 HydrophobicContact CG2-CD1 4.08Å; I104-I172 HydrophobicContact CG2-CG2 4.46Å; I104-T173 CarbonylContact C-O 3.5Å; I104-T173 WeakPolarHBondContact CA-O 3.46Å; I104-I174 HydrophobicContact CG1-CG1 4.34Å; I104-I174 HydrophobicContact CG1-CG2 4.24Å; I104-I174 HydrophobicContact CG2-CG1 4.32Å
105	G	97.3	Very high	90	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	169.2	177.2	0	0	0	0	0	112.6	L107 G143 I172 T173	G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 2.98Å; G105-G143 CarbonylContact C-O 3.5Å; G105-I172 WeakPolarHBondContact O-CA 3.42Å; G105-T173 WeakPolarHBondContact CA-OG1 3.28Å; G105-T173 PolarHBondContact N-O 3.49Å; G105-T173 PolarHBondContact O-N 3.38Å; G105-T173 PolarHBondContact O-OG1 2.87Å
106	N	97.1	Very high	91.7	Very high	82 Å²	82	36.9 Å²	36.9	44%	0.439	19%	0.191	S	C	.	.	S	Bend	trans	58.1	34.8	-178.3	-160.7	39.7	0	0	0	114	G143 R170 A171	N106-G143 PolarHBondContact N-O 2.85Å; N106-R170 WeakPolarHBondContact O-CB 3.36Å; N106-A171 PolarHBondContact ND2-O 3.13Å
107	L	96.8	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.			trans	-65.6	143.2	173.8	-66.9	178.4	0	0	0	110.8	I104 G105 V111 L116 G143 A145 L167 R170 I172	I104-L107 HydrophobicContact CG2-CD1 4.5Å; I104-L107 HydrophobicContact CG2-CD2 3.54Å; I104-L107 HydrophobicContact CG2-CG 4.05Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 2.98Å; L107-V111 HydrophobicContact CD2-CG1 4.26Å; L107-L116 HydrophobicContact CD1-CD1 4.27Å; L107-L116 HydrophobicContact CD1-CD2 4.48Å; L107-L116 HydrophobicContact CD2-CD2 4.18Å; L107-G143 PolarHBondContact N-O 3.26Å; L107-A145 HydrophobicContact CD1-CB 3.48Å; L107-A145 VanDerWaalsContact CD1-CB 3.48Å; L107-L167 HydrophobicContact CD2-CD2 4.11Å; L107-R170 PolarHBondContact O-NH1 3.41Å; L107-I172 HydrophobicContact CD2-CG2 3.79Å
108	D	95.6	Very high	93.8	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.064	19%	0.192	C	C	.	.			trans	-68.6	141.1	167.9	-167.2	-76.3	0	0	0	110.1	E110 V111 C168 R170	D108-E110 PolarHBondContact O-N 2.72Å; D108-E110 VanDerWaalsContact O-N 3.16Å; D108-E110 WeakPolarHBondContact OD1-CB 3.41Å; D108-E110 PolarHBondContact OD1-N 2.83Å; D108-V111 HydrophobicContact CB-CG2 4.02Å; D108-V111 WeakPolarHBondContact O-CB 3.46Å; D108-V111 PolarHBondContact O-N 3.2Å; D108-C168 HydrophobicContact CB-CB 4.03Å; D108-R170 HydrophobicContact CB-CB 4.38Å; D108-R170 HydrophobicContact CB-CG 4.15Å; D108-R170 IonicContact OD2-NE 2.75Å
109	P	92.8	Very high	94.3	Very high	76 Å²	76	38.1 Å²	38.1	49%	0.494	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.3	177.2	24.3	-36.3	0	0	0	114.3	V111	P109-V111 VanDerWaalsContact C-N 3.32Å
110	E	92.4	Very high	95	Very high	143 Å²	143	37.9 Å²	37.9	67%	0.668	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11	175.4	-61.9	-171.2	156.6	0	0	113.5	D108 D112	D108-E110 PolarHBondContact O-N 2.72Å; D108-E110 VanDerWaalsContact O-N 3.16Å; D108-E110 WeakPolarHBondContact OD1-CB 3.41Å; D108-E110 PolarHBondContact OD1-N 2.83Å; E110-D112 PolarHBondContact O-N 2.9Å
111	V	94.8	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.			trans	-71.5	125.1	177.6	174	0	0	0	0	109.8	L107 D108 P109 L115 L116 I132 L167 C168	L107-V111 HydrophobicContact CD2-CG1 4.26Å; D108-V111 HydrophobicContact CB-CG2 4.02Å; D108-V111 WeakPolarHBondContact O-CB 3.46Å; D108-V111 PolarHBondContact O-N 3.2Å; P109-V111 VanDerWaalsContact C-N 3.32Å; V111-L115 HydrophobicContact CB-CD2 4.5Å; V111-L115 HydrophobicContact CG1-CD2 4.31Å; V111-L115 HydrophobicContact CG2-CD2 4.14Å; V111-L116 HydrophobicContact CG1-CD1 4.31Å; V111-L116 HydrophobicContact CG1-CD2 3.81Å; V111-L116 HydrophobicContact CG1-CG 3.73Å; V111-I132 WeakPolarHBondContact O-CD1 3.25Å; V111-L167 HydrophobicContact CG1-CD2 3.93Å; V111-L167 HydrophobicContact CG2-CD2 3.97Å; V111-L167 HydrophobicContact CG2-CG 4.07Å; V111-C168 HydrophobicContact CG2-CB 4.43Å
112	D	93.1	Very high	95.3	Very high	60 Å²	60	43.1 Å²	43.1	32%	0.321	24%	0.236	S	C	.	.			trans	-110.7	164.3	177.3	-93.1	-22.1	0	0	0	112.8	K78 E110 K114 L115 L116 I132 R134	K78-D112 IonicContact NZ-OD1 3.35Å; K78-D112 PolarHBondContact NZ-OD1 2.98Å; K78-D112 IonicContact NZ-OD2 2.79Å; K78-D112 PolarHBondContact NZ-OD2 2.8Å; E110-D112 PolarHBondContact O-N 2.9Å; D112-K114 PolarHBondContact O-N 3.42Å; D112-L115 PolarHBondContact O-N 2.94Å; D112-L115 VanDerWaalsContact O-N 3.07Å; D112-L116 PolarHBondContact O-N 3.25Å; D112-L116 VanDerWaalsContact O-N 3.09Å; D112-I132 VanDerWaalsContact C-CD1 3.45Å; D112-R134 IonicContact OD1-NH2 2.93Å; D112-R134 PolarHBondContact OD1-NH2 3.29Å
113	E	94.3	Very high	95.2	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-35.3	-176.8	-60.1	78.2	-173.2	0	0	111.7	M76 K78 P83 Y117 T129 P130 I132 R134	M76-E113 VanDerWaalsContact CE-C 3.42Å; M76-E113 HydrophobicContact CE-CB 3.65Å; M76-E113 WeakPolarHBondContact CE-O 3.34Å; K78-E113 WeakPolarHBondContact CE-OE2 3.49Å; K78-E113 IonicContact NZ-OE2 2.73Å; K78-E113 PolarHBondContact NZ-OE2 2.78Å; P83-E113 HydrophobicContact CG-CB 4.39Å; P83-E113 HydrophobicContact CG-CG 4.43Å; E113-Y117 WeakPolarHBondContact O-CB 3.22Å; E113-Y117 PolarHBondContact O-N 2.82Å; E113-T129 HydrophobicContact CB-CG2 4.39Å; E113-P130 VanDerWaalsContact CG-O 3.26Å; E113-P130 WeakPolarHBondContact CG-O 3.47Å; E113-I132 HydrophobicContact CG-CD1 4.08Å; E113-I132 HydrophobicContact CG-CG1 4.1Å; E113-R134 IonicContact OE1-CZ 3.84Å; E113-R134 IonicContact OE1-NE 3.94Å; E113-R134 PolarHBondContact OE1-NE 2.94Å; E113-R134 IonicContact OE1-NH2 2.69Å; E113-R134 PolarHBondContact OE1-NH2 3.41Å; E113-R134 IonicContact OE2-NH2 3.74Å; E113-R134 PolarHBondContact OE2-NH2 3.38Å
114	K	93.9	Very high	95	Very high	90 Å²	90	44.1 Å²	44.1	39%	0.391	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-46.1	175.4	-175.9	178	-172.3	-59	0	111.8	M76 D112 L116 Y117 D118	M76-K114 HydrophobicContact CB-CB 4.01Å; M76-K114 HydrophobicContact CB-CG 3.95Å; D112-K114 PolarHBondContact O-N 3.42Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.96Å; K114-Y117 WeakPolarHBondContact O-CB 3.19Å; K114-Y117 PolarHBondContact O-N 3.37Å; K114-Y117 VanDerWaalsContact O-N 3.13Å; K114-D118 IonicContact NZ-OD1 2.93Å; K114-D118 IonicContact NZ-OD2 2.87Å; K114-D118 PolarHBondContact NZ-OD2 2.66Å; K114-D118 WeakPolarHBondContact O-CB 3.22Å; K114-D118 PolarHBondContact O-N 3.07Å
115	L	94.7	Very high	94.7	Very high	60 Å²	60	47.5 Å²	47.5	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-41.2	178.7	177.7	61.7	0	0	0	111.2	V111 D112 Y117 D118 T119 L167	V111-L115 HydrophobicContact CB-CD2 4.5Å; V111-L115 HydrophobicContact CG1-CD2 4.31Å; V111-L115 HydrophobicContact CG2-CD2 4.14Å; D112-L115 PolarHBondContact O-N 2.94Å; D112-L115 VanDerWaalsContact O-N 3.07Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-T119 VanDerWaalsContact O-CB 3.31Å; L115-T119 WeakPolarHBondContact O-CB 3.14Å; L115-T119 PolarHBondContact O-N 3.22Å; L115-T119 PolarHBondContact O-OG1 2.72Å; L115-L167 HydrophobicContact CD2-CD1 4.44Å; L115-L167 HydrophobicContact CD2-CG 4.4Å; L115-L167 HydrophobicContact CG-CD1 4.45Å
116	L	96	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-45.5	173.2	-70.1	176.2	0	0	0	111.3	I104 L107 V111 D112 K114 T119 F120 P130 I132 A145 I147 L167	I104-L116 HydrophobicContact CD1-CD2 4.15Å; L107-L116 HydrophobicContact CD1-CD1 4.27Å; L107-L116 HydrophobicContact CD1-CD2 4.48Å; L107-L116 HydrophobicContact CD2-CD2 4.18Å; V111-L116 HydrophobicContact CG1-CD1 4.31Å; V111-L116 HydrophobicContact CG1-CD2 3.81Å; V111-L116 HydrophobicContact CG1-CG 3.73Å; D112-L116 PolarHBondContact O-N 3.25Å; D112-L116 VanDerWaalsContact O-N 3.09Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.96Å; L116-T119 PolarHBondContact O-N 3.44Å; L116-F120 HydrophobicContact CD2-CD2 4.26Å; L116-F120 HydrophobicContact CD2-CE2 3.98Å; L116-F120 WeakPolarHBondContact O-CB 3.14Å; L116-F120 WeakPolarHBondContact O-CD2 3.07Å; L116-F120 PolarHBondContact O-N 3.31Å; L116-P130 HydrophobicContact CB-CB 3.73Å; L116-P130 HydrophobicContact CB-CG 4.04Å; L116-P130 HydrophobicContact CD1-CB 4.04Å; L116-I132 HydrophobicContact CD1-CD1 3.84Å; L116-I132 HydrophobicContact CD1-CG1 3.57Å; L116-A145 HydrophobicContact CD1-CB 3.56Å; L116-I147 HydrophobicContact CB-CD1 4.29Å; L116-L167 HydrophobicContact CD2-CD2 3.81Å
117	Y	95.3	Very high	94	Very high	60 Å²	60	44.7 Å²	44.7	24%	0.235	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-50.2	178.3	-174.3	-89.5	0	0	0	111.5	M76 E113 K114 L115 T119 F120 S121 I126 P130	M76-Y117 HydrophobicContact CG-CD1 4.12Å; M76-Y117 HydrophobicContact CG-CD2 4.37Å; M76-Y117 HydrophobicContact CG-CG 3.93Å; M76-Y117 HydrophobicContact SD-CD2 4.36Å; M76-Y117 HydrophobicContact SD-CG 4.39Å; E113-Y117 WeakPolarHBondContact O-CB 3.22Å; E113-Y117 PolarHBondContact O-N 2.82Å; K114-Y117 WeakPolarHBondContact O-CB 3.19Å; K114-Y117 PolarHBondContact O-N 3.37Å; K114-Y117 VanDerWaalsContact O-N 3.13Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; Y117-T119 VanDerWaalsContact C-N 3.31Å; Y117-T119 PolarHBondContact O-N 3.09Å; Y117-F120 PolarHBondContact O-N 3.35Å; Y117-S121 WeakPolarHBondContact O-CB 3.33Å; Y117-S121 PolarHBondContact O-N 3.38Å; Y117-S121 PolarHBondContact O-OG 3.09Å; Y117-I126 HydrophobicContact CD2-CB 4.17Å; Y117-I126 HydrophobicContact CD2-CD1 3.91Å; Y117-I126 HydrophobicContact CD2-CG2 4.12Å; Y117-I126 HydrophobicContact CE2-CB 3.92Å; Y117-I126 HydrophobicContact CE2-CD1 4.33Å; Y117-I126 HydrophobicContact CE2-CG2 4.18Å; Y117-I126 HydrophobicContact CG-CD1 4.42Å; Y117-P130 HydrophobicContact CD2-CG 4.4Å
118	D	94.2	Very high	93.6	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-40	-178.9	-65.3	-15.7	0	0	0	111.6	K114 L115 S121	K114-D118 IonicContact NZ-OD1 2.93Å; K114-D118 IonicContact NZ-OD2 2.87Å; K114-D118 PolarHBondContact NZ-OD2 2.66Å; K114-D118 WeakPolarHBondContact O-CB 3.22Å; K114-D118 PolarHBondContact O-N 3.07Å; L115-D118 PolarHBondContact O-N 3.21Å; D118-S121 PolarHBondContact O-OG 2.84Å
119	T	95.4	Very high	93.4	Very high	34 Å²	34	50 Å²	50	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-72.8	-47.7	-179.4	-53	0	0	0	0	111.9	L115 L116 Y117 M162 L167	L115-T119 VanDerWaalsContact O-CB 3.31Å; L115-T119 WeakPolarHBondContact O-CB 3.14Å; L115-T119 PolarHBondContact O-N 3.22Å; L115-T119 PolarHBondContact O-OG1 2.72Å; L116-T119 PolarHBondContact O-N 3.44Å; Y117-T119 VanDerWaalsContact C-N 3.31Å; Y117-T119 PolarHBondContact O-N 3.09Å; T119-M162 HydrophobicContact CG2-CE 3.61Å; T119-L167 HydrophobicContact CG2-CD1 4.15Å
120	F	96.3	Very high	93.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-86.3	-18.8	-171.3	-77.2	-84.9	0	0	0	113.8	I102 I104 L116 Y117 A122 F123 I126 I147 F149 A158 M162 I172 I174	I102-F120 HydrophobicContact CD1-CD1 4.12Å; I102-F120 HydrophobicContact CD1-CE1 4.03Å; I104-F120 HydrophobicContact CD1-CD2 4.04Å; I104-F120 HydrophobicContact CD1-CE1 4.09Å; I104-F120 HydrophobicContact CD1-CE2 3.43Å; I104-F120 VanDerWaalsContact CD1-CE2 3.43Å; I104-F120 HydrophobicContact CD1-CZ 3.45Å; I104-F120 VanDerWaalsContact CD1-CZ 3.45Å; I104-F120 HydrophobicContact CG1-CZ 4.18Å; L116-F120 HydrophobicContact CD2-CD2 4.26Å; L116-F120 HydrophobicContact CD2-CE2 3.98Å; L116-F120 WeakPolarHBondContact O-CB 3.14Å; L116-F120 WeakPolarHBondContact O-CD2 3.07Å; L116-F120 PolarHBondContact O-N 3.31Å; Y117-F120 PolarHBondContact O-N 3.35Å; F120-A122 PolarHBondContact O-N 3.37Å; F120-F123 HydrophobicContact CD1-CD2 4.06Å; F120-F123 HydrophobicContact CD1-CE2 4.19Å; F120-F123 PolarHBondContact O-N 2.86Å; F120-F123 VanDerWaalsContact O-N 3.12Å; F120-I126 HydrophobicContact CB-CD1 3.98Å; F120-I147 HydrophobicContact CB-CD1 3.65Å; F120-I147 HydrophobicContact CD1-CD1 4.13Å; F120-I147 HydrophobicContact CD2-CD1 3.38Å; F120-I147 HydrophobicContact CE2-CD1 4.06Å; F120-I147 HydrophobicContact CG-CD1 3.43Å; F120-I147 VanDerWaalsContact CG-CD1 3.43Å; F120-F149 HydrophobicContact CB-CZ 3.99Å; F120-F149 HydrophobicContact CD1-CZ 4.2Å; F120-F149 WeakPolarHBondContact O-CE1 3.49Å; F120-A158 HydrophobicContact CD1-CB 3.97Å; F120-A158 HydrophobicContact CE1-CB 4.17Å; F120-M162 HydrophobicContact CE1-CB 4.19Å; F120-M162 HydrophobicContact CE1-CG 4.29Å; F120-M162 HydrophobicContact CZ-CB 4.34Å; F120-I172 HydrophobicContact CE2-CD1 4.44Å; F120-I172 HydrophobicContact CZ-CD1 3.93Å; F120-I174 HydrophobicContact CE1-CD1 3.67Å; F120-I174 HydrophobicContact CZ-CD1 3.62Å
121	S	94.4	Very high	93.6	Very high	48 Å²	48	45.9 Å²	45.9	34%	0.336	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.8	174.5	58.4	0	0	0	0	113.1	Y117 D118 F123 G124	Y117-S121 WeakPolarHBondContact O-CB 3.33Å; Y117-S121 PolarHBondContact O-N 3.38Å; Y117-S121 PolarHBondContact O-OG 3.09Å; D118-S121 PolarHBondContact O-OG 2.84Å; S121-F123 VanDerWaalsContact C-N 3.26Å; S121-F123 PolarHBondContact O-N 2.82Å; S121-G124 PolarHBondContact O-N 2.75Å
122	A	95.7	Very high	93.6	Very high	86 Å²	86	46.4 Å²	46.4	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.5	173.8	0	0	0	0	0	113.9	F120	F120-A122 PolarHBondContact O-N 3.37Å
123	F	95.6	Very high	93.7	Very high	55 Å²	55	45.9 Å²	45.9	24%	0.241	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-21.5	179.4	-57.4	-73.4	0	0	0	113.1	F120 S121 F149 A154 A157 A158 A161 M162	F120-F123 HydrophobicContact CD1-CD2 4.06Å; F120-F123 HydrophobicContact CD1-CE2 4.19Å; F120-F123 PolarHBondContact O-N 2.86Å; F120-F123 VanDerWaalsContact O-N 3.12Å; S121-F123 VanDerWaalsContact C-N 3.26Å; S121-F123 PolarHBondContact O-N 2.82Å; F123-F149 HydrophobicContact CB-CE1 4.48Å; F123-F149 HydrophobicContact CB-CZ 4.48Å; F123-A154 WeakPolarHBondContact O-CA 3.31Å; F123-A154 VanDerWaalsContact O-CB 3.31Å; F123-A154 WeakPolarHBondContact O-CB 3.33Å; F123-A157 HydrophobicContact CD1-CB 4.15Å; F123-A158 HydrophobicContact CB-CB 4.06Å; F123-A158 HydrophobicContact CD1-CB 4.43Å; F123-A158 HydrophobicContact CD2-CB 3.71Å; F123-A158 HydrophobicContact CE2-CB 4.32Å; F123-A158 HydrophobicContact CG-CB 3.79Å; F123-A161 HydrophobicContact CE1-CB 3.5Å; F123-A161 HydrophobicContact CZ-CB 3.87Å; F123-M162 HydrophobicContact CE2-CG 3.53Å; F123-M162 HydrophobicContact CE2-SD 4.42Å; F123-M162 HydrophobicContact CZ-CG 3.39Å; F123-M162 HydrophobicContact CZ-SD 4.15Å
124	G	92.6	Very high	93.7	Very high	23 Å²	23	49.1 Å²	49.1	24%	0.237	26%	0.261	C	S	.	.	S	Bend	trans	162.3	179.9	179	0	0	0	0	0	113	S121 I126	S121-G124 PolarHBondContact O-N 2.75Å; G124-I126 PolarHBondContact O-N 2.91Å
125	V	90.4	Very high	93.6	Very high	70 Å²	70	47.6 Å²	47.6	42%	0.424	26%	0.257	S	S	.	.			trans	-71.7	127.6	-174.8	178.1	0	0	0	0	111.2	F149 A150 E205	V125-F149 CarbonylContact O-C 3.51Å; V125-F149 WeakPolarHBondContact O-CA 3.37Å; V125-A150 HydrophobicContact CB-CB 4.03Å; V125-A150 HydrophobicContact CG1-CB 4.36Å; V125-A150 PolarHBondContact O-N 2.88Å; V125-E205 WeakPolarHBondContact CB-OE1 3.48Å; V125-E205 WeakPolarHBondContact CG2-OE1 3.3Å
126	I	91.9	Very high	93.4	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.051	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-93.3	119.1	177.1	-64.4	174.1	0	0	0	108.9	Y117 F120 G124 Q128 I147 N148 F149	Y117-I126 HydrophobicContact CD2-CB 4.17Å; Y117-I126 HydrophobicContact CD2-CD1 3.91Å; Y117-I126 HydrophobicContact CD2-CG2 4.12Å; Y117-I126 HydrophobicContact CE2-CB 3.92Å; Y117-I126 HydrophobicContact CE2-CD1 4.33Å; Y117-I126 HydrophobicContact CE2-CG2 4.18Å; Y117-I126 HydrophobicContact CG-CD1 4.42Å; F120-I126 HydrophobicContact CB-CD1 3.98Å; G124-I126 PolarHBondContact O-N 2.91Å; I126-Q128 WeakPolarHBondContact CG2-O 3.5Å; I126-I147 HydrophobicContact CD1-CG2 4.07Å; I126-I147 HydrophobicContact CG1-CG2 3.99Å; I126-I147 HydrophobicContact CG2-CG2 4.1Å; I126-N148 CarbonylContact C-O 3.58Å; I126-N148 WeakPolarHBondContact CA-O 3.42Å; I126-F149 HydrophobicContact CG1-CD1 4.08Å; I126-F149 HydrophobicContact CG1-CE1 3.82Å
127	L	88.1	Confident	93.2	Very high	18 Å²	18	59.4 Å²	59.4	9%	0.094	32%	0.322	C	S	.	.	S	Bend	trans	-77.6	-25.9	-174.4	-68.1	-178	0	0	0	114.1	R85 L96 N148 A150	R85-L127 PolarHBondContact NH2-O 3.19Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; L127-N148 PolarHBondContact N-O 2.92Å; L127-A150 HydrophobicContact CD1-CB 4.49Å; L127-A150 HydrophobicContact CD2-CB 3.76Å; L127-A150 HydrophobicContact CG-CB 4.01Å
128	Q	88.2	Confident	92.9	Very high	88 Å²	88	60.6 Å²	60.6	41%	0.411	34%	0.335	S	S	.	.	S	Bend	trans	-139.7	148.9	-175.4	-63.4	-175.3	-9.2	0	0	110.4	I126 P130 N148	I126-Q128 WeakPolarHBondContact CG2-O 3.5Å; Q128-P130 WeakPolarHBondContact O-CD 3.33Å; Q128-N148 HydrophobicContact CB-CB 4.45Å
129	T	91.8	Very high	92.6	Very high	34 Å²	34	58.9 Å²	58.9	21%	0.209	34%	0.336	C	S	.	.			trans	-48.2	125.2	171.9	-59.2	0	0	0	0	110.1	M76 P83 R85 E113 K131	M76-T129 HydrophobicContact CE-CG2 3.6Å; M76-T129 HydrophobicContact SD-CG2 3.88Å; P83-T129 HydrophobicContact CB-CG2 4.14Å; P83-T129 HydrophobicContact CG-CG2 3.49Å; P83-T129 VanDerWaalsContact CG-CG2 3.49Å; R85-T129 WeakPolarHBondContact CD-OG1 3.16Å; R85-T129 WeakPolarHBondContact CG-OG1 3.37Å; E113-T129 HydrophobicContact CB-CG2 4.39Å; T129-K131 PolarHBondContact O-N 3.29Å
130	P	94.8	Very high	92.3	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	35%	0.353	C	S	.	.			trans	-49.3	127.6	173.6	-30.7	37.3	0	0	0	110.9	E113 L116 Y117 Q128 I147	E113-P130 VanDerWaalsContact CG-O 3.26Å; E113-P130 WeakPolarHBondContact CG-O 3.47Å; L116-P130 HydrophobicContact CB-CB 3.73Å; L116-P130 HydrophobicContact CB-CG 4.04Å; L116-P130 HydrophobicContact CD1-CB 4.04Å; Y117-P130 HydrophobicContact CD2-CG 4.4Å; Q128-P130 WeakPolarHBondContact O-CD 3.33Å; P130-I147 HydrophobicContact CB-CD1 4.46Å; P130-I147 HydrophobicContact CB-CG1 4.08Å; P130-I147 HydrophobicContact CG-CD1 4.47Å; P130-I147 HydrophobicContact CG-CG1 4.35Å
131	K	93.9	Very high	92.1	Very high	132 Å²	132	63.6 Å²	63.6	57%	0.574	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	102.8	-173.8	-173.6	177.1	-177.8	177.1	0	110.2	T129 M133 A145 F146	T129-K131 PolarHBondContact O-N 3.29Å; K131-M133 HydrophobicContact CD-SD 4.18Å; K131-M133 HydrophobicContact CG-SD 4.21Å; K131-A145 CarbonylContact O-C 3.56Å; K131-A145 WeakPolarHBondContact O-CA 3.14Å; K131-A145 WeakPolarHBondContact O-CB 3.48Å; K131-F146 PolarHBondContact N-O 2.79Å; K131-F146 PolarHBondContact O-N 2.69Å
132	I	95.5	Very high	92.1	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.062	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.5	170.1	-61	178	0	0	0	108.6	V111 D112 E113 L116 R134 S141 A145	V111-I132 WeakPolarHBondContact O-CD1 3.25Å; D112-I132 VanDerWaalsContact C-CD1 3.45Å; E113-I132 HydrophobicContact CG-CD1 4.08Å; E113-I132 HydrophobicContact CG-CG1 4.1Å; L116-I132 HydrophobicContact CD1-CD1 3.84Å; L116-I132 HydrophobicContact CD1-CG1 3.57Å; I132-R134 HydrophobicContact CG2-CG 4.14Å; I132-R134 PolarHBondContact O-N 2.93Å; I132-S141 WeakPolarHBondContact CG2-OG 3.44Å; I132-A145 HydrophobicContact CG1-CB 4Å
133	M	95.2	Very high	92.1	Very high	48 Å²	48	63.3 Å²	63.3	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.7	176.9	-65.4	-59	-58.4	0	0	108.7	K131 K142 Y144 F146	K131-M133 HydrophobicContact CD-SD 4.18Å; K131-M133 HydrophobicContact CG-SD 4.21Å; M133-K142 HydrophobicContact CB-CB 4.49Å; M133-K142 HydrophobicContact CB-CD 4.27Å; M133-K142 VanDerWaalsContact O-CB 3.25Å; M133-K142 WeakPolarHBondContact O-CB 3.34Å; M133-K142 WeakPolarHBondContact O-CG 3.4Å; M133-K142 PolarHBondContact O-N 3.43Å; M133-Y144 HydrophobicContact CB-CD1 4.28Å; M133-Y144 HydrophobicContact CB-CD2 3.91Å; M133-Y144 HydrophobicContact CB-CE1 3.86Å; M133-Y144 HydrophobicContact CB-CE2 3.51Å; M133-Y144 HydrophobicContact CB-CG 4.29Å; M133-Y144 VanDerWaalsContact CB-CZ 3.42Å; M133-Y144 HydrophobicContact CG-CD2 3.72Å; M133-Y144 HydrophobicContact CG-CE2 3.25Å; M133-Y144 PolarHBondContact N-O 3.3Å; M133-F146 HydrophobicContact CG-CD2 4.17Å; M133-F146 HydrophobicContact CG-CE2 3.9Å; M133-F146 HydrophobicContact SD-CE2 4.39Å
134	R	93.7	Very high	92.1	Very high	86 Å²	86	63.3 Å²	63.3	33%	0.325	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151	179.2	-61	177.8	-172.9	-100.1	2.1	109.8	D112 E113 I132 N140	D112-R134 IonicContact OD1-NH2 2.93Å; D112-R134 PolarHBondContact OD1-NH2 3.29Å; E113-R134 IonicContact OE1-CZ 3.84Å; E113-R134 IonicContact OE1-NE 3.94Å; E113-R134 PolarHBondContact OE1-NE 2.94Å; E113-R134 IonicContact OE1-NH2 2.69Å; E113-R134 PolarHBondContact OE1-NH2 3.41Å; E113-R134 IonicContact OE2-NH2 3.74Å; E113-R134 PolarHBondContact OE2-NH2 3.38Å; I132-R134 HydrophobicContact CG2-CG 4.14Å; I132-R134 PolarHBondContact O-N 2.93Å; R134-N140 CarbonylContact C-O 3.53Å; R134-N140 WeakPolarHBondContact CA-O 3.36Å
135	D	91.6	Very high	92.3	Very high	57 Å²	57	62.2 Å²	62.2	31%	0.305	33%	0.33	S	S	.	.			trans	-67.7	128.4	172.3	-174.1	-65.1	0	0	0	109	E137 T138 G139 N140	D135-E137 VanDerWaalsContact C-N 3.27Å; D135-E137 PolarHBondContact O-N 3.35Å; D135-E137 WeakPolarHBondContact OD1-CA 3.25Å; D135-E137 WeakPolarHBondContact OD1-CB 3.33Å; D135-E137 PolarHBondContact OD1-N 2.93Å; D135-T138 WeakPolarHBondContact CB-OG1 3.43Å; D135-T138 PolarHBondContact OD1-N 3.03Å; D135-T138 VanDerWaalsContact OD1-N 3.09Å; D135-G139 VanDerWaalsContact O-CA 3.22Å; D135-G139 WeakPolarHBondContact O-CA 3.26Å; D135-G139 PolarHBondContact O-N 2.87Å; D135-N140 PolarHBondContact N-O 2.93Å
136	P	90.1	Very high	92.6	Very high	128 Å²	128	62.2 Å²	62.2	83%	0.831	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.6	-175.5	28.5	-34.9	0	0	0	113.6
137	E	91.6	Very high	92.8	Very high	181 Å²	181	61.9 Å²	61.9	85%	0.846	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-44.9	-178.6	-59	-172.3	164.1	0	0	111.3	D135	D135-E137 VanDerWaalsContact C-N 3.27Å; D135-E137 PolarHBondContact O-N 3.35Å; D135-E137 WeakPolarHBondContact OD1-CA 3.25Å; D135-E137 WeakPolarHBondContact OD1-CB 3.33Å; D135-E137 PolarHBondContact OD1-N 2.93Å
138	T	90.8	Very high	93.1	Very high	84 Å²	84	61.3 Å²	61.3	52%	0.515	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-18.2	-176.1	64	0	0	0	0	114	D135 N140	D135-T138 WeakPolarHBondContact CB-OG1 3.43Å; D135-T138 PolarHBondContact OD1-N 3.03Å; D135-T138 VanDerWaalsContact OD1-N 3.09Å; T138-N140 PolarHBondContact O-N 2.88Å; T138-N140 WeakPolarHBondContact OG1-CB 3.45Å; T138-N140 PolarHBondContact OG1-N 3.42Å
139	G	86.9	Confident	93.4	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	30%	0.3	S	S	.	.			trans	71.5	-2.6	-171.7	0	0	0	0	0	114.4	D135	D135-G139 VanDerWaalsContact O-CA 3.22Å; D135-G139 WeakPolarHBondContact O-CA 3.26Å; D135-G139 PolarHBondContact O-N 2.87Å
140	N	89.6	Confident	93.3	Very high	108 Å²	108	55.8 Å²	55.8	58%	0.578	29%	0.292	S	S	*	.			trans	-70.3	146.2	-178.5	-70.4	-27.1	0	0	0	111.4	R134 D135 T138 K142	R134-N140 CarbonylContact C-O 3.53Å; R134-N140 WeakPolarHBondContact CA-O 3.36Å; D135-N140 PolarHBondContact N-O 2.93Å; T138-N140 PolarHBondContact O-N 2.88Å; T138-N140 WeakPolarHBondContact OG1-CB 3.45Å; T138-N140 PolarHBondContact OG1-N 3.42Å; N140-K142 PolarHBondContact O-N 3.31Å
141	S	91.5	Very high	93.1	Very high	25 Å²	25	56.8 Å²	56.8	18%	0.175	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.2	174.1	-176.7	0	0	0	0	110.6	I132 G143	I132-S141 WeakPolarHBondContact CG2-OG 3.44Å; S141-G143 PolarHBondContact O-N 3.36Å; S141-G143 PolarHBondContact OG-N 3.02Å
142	K	94.7	Very high	93	Very high	114 Å²	114	51 Å²	51	50%	0.496	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	2.4	171.2	-58.1	179.5	71.4	-169	0	112.1	M133 N140 Y144	M133-K142 HydrophobicContact CB-CB 4.49Å; M133-K142 HydrophobicContact CB-CD 4.27Å; M133-K142 VanDerWaalsContact O-CB 3.25Å; M133-K142 WeakPolarHBondContact O-CB 3.34Å; M133-K142 WeakPolarHBondContact O-CG 3.4Å; M133-K142 PolarHBondContact O-N 3.43Å; N140-K142 PolarHBondContact O-N 3.31Å; K142-Y144 HydrophobicContact CB-CD1 3.76Å; K142-Y144 HydrophobicContact CB-CE1 3.44Å; K142-Y144 VanDerWaalsContact CB-CE1 3.44Å; K142-Y144 HydrophobicContact CD-CE1 3.97Å; K142-Y144 HydrophobicContact CG-CE1 4.33Å; K142-Y144 PolarHBondContact NZ-OH 2.9Å; K142-Y144 WeakPolarHBondContact O-CD1 3.41Å
143	G	95	Very high	92.9	Very high	14 Å²	14	58 Å²	58	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	19.9	177.1	0	0	0	0	0	114.3	G105 N106 L107 S141	G105-G143 CarbonylContact C-O 3.5Å; N106-G143 PolarHBondContact N-O 2.85Å; L107-G143 PolarHBondContact N-O 3.26Å; S141-G143 PolarHBondContact O-N 3.36Å; S141-G143 PolarHBondContact OG-N 3.02Å
144	Y	96.7	Very high	92.8	Very high	55 Å²	55	55.8 Å²	55.8	22%	0.216	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.9	173.6	68.8	-84	0	0	0	113.1	F103 I104 M133 K142 F146	F103-Y144 HydrophobicContact CD2-CD2 4.18Å; F103-Y144 AromaticContact CE2-CD2 3.51Å; F103-Y144 HydrophobicContact CE2-CD2 3.51Å; F103-Y144 HydrophobicContact CE2-CE2 4.37Å; F103-Y144 AromaticContact CE2-CG 3.79Å; F103-Y144 HydrophobicContact CE2-CG 3.79Å; F103-Y144 HydrophobicContact CZ-CD2 4.45Å; F103-Y144 HydrophobicContact CZ-CG 4.32Å; I104-Y144 CarbonylContact O-C 3.57Å; I104-Y144 WeakPolarHBondContact O-CA 3.33Å; I104-Y144 VanDerWaalsContact O-CB 3.27Å; I104-Y144 WeakPolarHBondContact O-CB 3.38Å; M133-Y144 HydrophobicContact CB-CD1 4.28Å; M133-Y144 HydrophobicContact CB-CD2 3.91Å; M133-Y144 HydrophobicContact CB-CE1 3.86Å; M133-Y144 HydrophobicContact CB-CE2 3.51Å; M133-Y144 HydrophobicContact CB-CG 4.29Å; M133-Y144 VanDerWaalsContact CB-CZ 3.42Å; M133-Y144 HydrophobicContact CG-CD2 3.72Å; M133-Y144 HydrophobicContact CG-CE2 3.25Å; M133-Y144 PolarHBondContact N-O 3.3Å; K142-Y144 HydrophobicContact CB-CD1 3.76Å; K142-Y144 HydrophobicContact CB-CE1 3.44Å; K142-Y144 VanDerWaalsContact CB-CE1 3.44Å; K142-Y144 HydrophobicContact CD-CE1 3.97Å; K142-Y144 HydrophobicContact CG-CE1 4.33Å; K142-Y144 PolarHBondContact NZ-OH 2.9Å; K142-Y144 WeakPolarHBondContact O-CD1 3.41Å; Y144-F146 AromaticContact CD2-CE2 3.94Å; Y144-F146 HydrophobicContact CD2-CE2 3.94Å; Y144-F146 HydrophobicContact CD2-CZ 4.29Å; Y144-F146 AromaticContact CE2-CE2 3.79Å; Y144-F146 HydrophobicContact CE2-CE2 3.79Å; Y144-F146 HydrophobicContact CE2-CZ 4.18Å
145	A	97.3	Very high	92.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.8	-179.7	0	0	0	0	0	112.6	I104 L107 L116 K131 I132	I104-A145 PolarHBondContact N-O 3.37Å; I104-A145 PolarHBondContact O-N 2.91Å; L107-A145 HydrophobicContact CD1-CB 3.48Å; L107-A145 VanDerWaalsContact CD1-CB 3.48Å; L116-A145 HydrophobicContact CD1-CB 3.56Å; K131-A145 CarbonylContact O-C 3.56Å; K131-A145 WeakPolarHBondContact O-CA 3.14Å; K131-A145 WeakPolarHBondContact O-CB 3.48Å; I132-A145 HydrophobicContact CG1-CB 4Å
146	F	96.5	Very high	93.1	Very high	71 Å²	71	51.6 Å²	51.6	31%	0.311	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.4	172.2	-61.3	-85.6	0	0	0	110.6	I102 F103 K131 M133 Y144 A177	I102-F146 VanDerWaalsContact O-CA 3.31Å; I102-F146 WeakPolarHBondContact O-CA 3.39Å; F103-F146 HydrophobicContact CB-CD1 4.27Å; F103-F146 HydrophobicContact CB-CE1 4.08Å; F103-F146 HydrophobicContact CD2-CD1 4.39Å; F103-F146 AromaticContact CD2-CE1 3.72Å; F103-F146 HydrophobicContact CD2-CE1 3.72Å; F103-F146 AromaticContact CD2-CZ 3.89Å; F103-F146 HydrophobicContact CD2-CZ 3.89Å; F103-F146 HydrophobicContact CG-CE1 4.4Å; K131-F146 PolarHBondContact N-O 2.79Å; K131-F146 PolarHBondContact O-N 2.69Å; M133-F146 HydrophobicContact CG-CD2 4.17Å; M133-F146 HydrophobicContact CG-CE2 3.9Å; M133-F146 HydrophobicContact SD-CE2 4.39Å; Y144-F146 AromaticContact CD2-CE2 3.94Å; Y144-F146 HydrophobicContact CD2-CE2 3.94Å; Y144-F146 HydrophobicContact CD2-CZ 4.29Å; Y144-F146 AromaticContact CE2-CE2 3.79Å; Y144-F146 HydrophobicContact CE2-CE2 3.79Å; Y144-F146 HydrophobicContact CE2-CZ 4.18Å; F146-A177 HydrophobicContact CD1-CB 3.81Å; F146-A177 HydrophobicContact CE1-CB 3.89Å
147	I	95.8	Very high	93.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.8	173.8	-58.2	-174.1	0	0	0	108.5	N101 I102 I104 L116 F120 I126 P130 F149	N101-I147 WeakPolarHBondContact CA-O 3.48Å; I102-I147 HydrophobicContact CD1-CB 4.16Å; I102-I147 HydrophobicContact CG1-CB 3.75Å; I102-I147 PolarHBondContact N-O 2.95Å; I102-I147 PolarHBondContact O-N 3.06Å; I104-I147 HydrophobicContact CD1-CD1 3.42Å; I104-I147 VanDerWaalsContact CD1-CD1 3.42Å; I104-I147 HydrophobicContact CD1-CG1 3.82Å; L116-I147 HydrophobicContact CB-CD1 4.29Å; F120-I147 HydrophobicContact CB-CD1 3.65Å; F120-I147 HydrophobicContact CD1-CD1 4.13Å; F120-I147 HydrophobicContact CD2-CD1 3.38Å; F120-I147 HydrophobicContact CE2-CD1 4.06Å; F120-I147 HydrophobicContact CG-CD1 3.43Å; F120-I147 VanDerWaalsContact CG-CD1 3.43Å; I126-I147 HydrophobicContact CD1-CG2 4.07Å; I126-I147 HydrophobicContact CG1-CG2 3.99Å; I126-I147 HydrophobicContact CG2-CG2 4.1Å; P130-I147 HydrophobicContact CB-CD1 4.46Å; P130-I147 HydrophobicContact CB-CG1 4.08Å; P130-I147 HydrophobicContact CG-CD1 4.47Å; P130-I147 HydrophobicContact CG-CG1 4.35Å; I147-F149 HydrophobicContact CG2-CD2 4.18Å; I147-F149 HydrophobicContact CG2-CE1 4.5Å; I147-F149 HydrophobicContact CG2-CE2 3.89Å; I147-F149 HydrophobicContact CG2-CZ 4.08Å
148	N	93.5	Very high	93.6	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.9	176.1	-172.2	-18.2	0	0	0	109.4	D97 N101 I126 L127 Q128	D97-N148 VanDerWaalsContact CG-ND2 3.34Å; D97-N148 PolarHBondContact OD1-ND2 3.01Å; N101-N148 WeakPolarHBondContact OD1-CA 3.48Å; N101-N148 WeakPolarHBondContact OD1-CB 3.32Å; N101-N148 PolarHBondContact OD1-ND2 3.47Å; N101-N148 VanDerWaalsContact OD1-ND2 3.15Å; N101-N148 PolarHBondContact OD1-OD1 3.47Å; I126-N148 CarbonylContact C-O 3.58Å; I126-N148 WeakPolarHBondContact CA-O 3.42Å; L127-N148 PolarHBondContact N-O 2.92Å; Q128-N148 HydrophobicContact CB-CB 4.45Å
149	F	94	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-94.7	155	176.3	-75.4	-75.1	0	0	0	112.3	A100 I102 F120 F123 V125 I126 I147 S151 A154 S155 A158	A100-F149 HydrophobicContact CB-CB 4.25Å; A100-F149 WeakPolarHBondContact CB-O 3.5Å; A100-F149 PolarHBondContact O-N 3.43Å; I102-F149 HydrophobicContact CD1-CD2 4.48Å; I102-F149 HydrophobicContact CD1-CE2 3.66Å; I102-F149 HydrophobicContact CG1-CD2 4.34Å; I102-F149 HydrophobicContact CG1-CE2 3.97Å; I102-F149 HydrophobicContact CG2-CD2 4.49Å; F120-F149 HydrophobicContact CB-CZ 3.99Å; F120-F149 HydrophobicContact CD1-CZ 4.2Å; F120-F149 WeakPolarHBondContact O-CE1 3.49Å; F123-F149 HydrophobicContact CB-CE1 4.48Å; F123-F149 HydrophobicContact CB-CZ 4.48Å; V125-F149 CarbonylContact O-C 3.51Å; V125-F149 WeakPolarHBondContact O-CA 3.37Å; I126-F149 HydrophobicContact CG1-CD1 4.08Å; I126-F149 HydrophobicContact CG1-CE1 3.82Å; I147-F149 HydrophobicContact CG2-CD2 4.18Å; I147-F149 HydrophobicContact CG2-CE1 4.5Å; I147-F149 HydrophobicContact CG2-CE2 3.89Å; I147-F149 HydrophobicContact CG2-CZ 4.08Å; F149-S151 PolarHBondContact O-N 3.37Å; F149-A154 HydrophobicContact CB-CB 4.17Å; F149-A154 HydrophobicContact CD1-CB 3.74Å; F149-A154 HydrophobicContact CE1-CB 4.26Å; F149-A154 HydrophobicContact CG-CB 4.01Å; F149-S155 WeakPolarHBondContact CD2-OG 3.45Å; F149-A158 HydrophobicContact CE2-CB 4.01Å; F149-A158 HydrophobicContact CZ-CB 4.01Å
150	A	90	Very high	94.4	Very high	6 Å²	6	42.6 Å²	42.6	5%	0.05	22%	0.218	C	C	.	.	S	Bend	trans	-71.9	-17.9	172.7	0	0	0	0	0	113.2	I98 V125 L127	I98-A150 VanDerWaalsContact CD1-O 3.23Å; I98-A150 WeakPolarHBondContact CD1-O 3.26Å; V125-A150 HydrophobicContact CB-CB 4.03Å; V125-A150 HydrophobicContact CG1-CB 4.36Å; V125-A150 PolarHBondContact O-N 2.88Å; L127-A150 HydrophobicContact CD1-CB 4.49Å; L127-A150 HydrophobicContact CD2-CB 3.76Å; L127-A150 HydrophobicContact CG-CB 4.01Å
151	S	90.5	Very high	94.7	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.208	C	C	.	.			trans	-140.6	148.9	-177.4	75.5	0	0	0	0	112.5	A100 F149 E153 A154 S155	A100-S151 WeakPolarHBondContact CB-O 3Å; F149-S151 PolarHBondContact O-N 3.37Å; S151-E153 VanDerWaalsContact C-N 3.29Å; S151-A154 VanDerWaalsContact OG-CB 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.43Å; S151-A154 PolarHBondContact OG-N 3.2Å; S151-A154 VanDerWaalsContact OG-N 3.09Å; S151-S155 PolarHBondContact O-N 2.84Å; S151-S155 PolarHBondContact O-OG 2.94Å
152	F	92.7	Very high	94.9	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-32	171.3	-76.6	-71.7	0	0	0	112.1	I98 G99 A100 A154 S155 D156 Y176 E192 R193 A196	I98-F152 HydrophobicContact CB-CE2 4.36Å; I98-F152 HydrophobicContact CD1-CD2 3.88Å; I98-F152 HydrophobicContact CD1-CE2 3.96Å; I98-F152 HydrophobicContact CG1-CE2 4.28Å; I98-F152 WeakPolarHBondContact O-CE2 3.39Å; I98-F152 WeakPolarHBondContact O-CZ 3.48Å; G99-F152 WeakPolarHBondContact O-CE1 3.25Å; A100-F152 HydrophobicContact CB-CD1 3.96Å; A100-F152 HydrophobicContact CB-CE1 4.03Å; A100-F152 HydrophobicContact CB-CG 4.23Å; A100-F152 HydrophobicContact CB-CZ 4.4Å; F152-A154 PolarHBondContact O-N 3.19Å; F152-S155 WeakPolarHBondContact O-CB 3.11Å; F152-S155 PolarHBondContact O-N 3.38Å; F152-S155 VanDerWaalsContact O-N 3.13Å; F152-D156 PolarHBondContact O-N 3.15Å; F152-Y176 AromaticContact CD1-CE1 3.92Å; F152-Y176 HydrophobicContact CD1-CE1 3.92Å; F152-Y176 HydrophobicContact CE1-CE1 4.16Å; F152-Y176 PolarHBondContact O-OH 2.84Å; F152-E192 HydrophobicContact CE2-CB 3.99Å; F152-E192 HydrophobicContact CZ-CB 3.63Å; F152-R193 HydrophobicContact CB-CG 4.21Å; F152-R193 HydrophobicContact CD1-CG 4.21Å; F152-R193 HydrophobicContact CD2-CB 4.37Å; F152-R193 HydrophobicContact CD2-CG 3.85Å; F152-R193 HydrophobicContact CE2-CG 4.28Å; F152-R193 HydrophobicContact CG-CG 3.82Å; F152-A196 HydrophobicContact CD2-CB 3.6Å; F152-A196 HydrophobicContact CE2-CB 3.59Å
153	E	92.8	Very high	95.1	Very high	157 Å²	157	38.4 Å²	38.4	73%	0.734	20%	0.204	S	C	*	.	H	α-helix	trans	-59.5	-45	175.8	-176.1	176.8	-177	0	0	111.5	S151 S155 D156 A157	S151-E153 VanDerWaalsContact C-N 3.29Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 2.79Å; E153-D156 PolarHBondContact O-N 2.8Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 2.74Å
154	A	94.4	Very high	95.1	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-38.3	174.7	0	0	0	0	0	112.1	F123 F149 S151 F152 A158	F123-A154 WeakPolarHBondContact O-CA 3.31Å; F123-A154 VanDerWaalsContact O-CB 3.31Å; F123-A154 WeakPolarHBondContact O-CB 3.33Å; F149-A154 HydrophobicContact CB-CB 4.17Å; F149-A154 HydrophobicContact CD1-CB 3.74Å; F149-A154 HydrophobicContact CE1-CB 4.26Å; F149-A154 HydrophobicContact CG-CB 4.01Å; S151-A154 VanDerWaalsContact OG-CB 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.43Å; S151-A154 PolarHBondContact OG-N 3.2Å; S151-A154 VanDerWaalsContact OG-N 3.09Å; F152-A154 PolarHBondContact O-N 3.19Å; A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.35Å; A154-A158 PolarHBondContact O-N 3.38Å
155	S	94.9	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-44.3	176.5	-60.7	0	0	0	0	112.3	A100 F149 S151 F152 E153 A158 I159 Y176	A100-S155 PolarHBondContact O-OG 3.33Å; F149-S155 WeakPolarHBondContact CD2-OG 3.45Å; S151-S155 PolarHBondContact O-N 2.84Å; S151-S155 PolarHBondContact O-OG 2.94Å; F152-S155 WeakPolarHBondContact O-CB 3.11Å; F152-S155 PolarHBondContact O-N 3.38Å; F152-S155 VanDerWaalsContact O-N 3.13Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 2.79Å; S155-A158 PolarHBondContact O-N 2.86Å; S155-I159 WeakPolarHBondContact O-CD1 3.5Å; S155-I159 WeakPolarHBondContact O-CG1 3.4Å; S155-I159 PolarHBondContact O-N 3.44Å; S155-Y176 WeakPolarHBondContact CB-OH 3.34Å
156	D	95	Very high	95.1	Very high	56 Å²	56	50 Å²	50	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-46.5	178.1	-69	-41	0	0	0	111.1	F152 E153 A158 I159 E160 Y176 R193	F152-D156 PolarHBondContact O-N 3.15Å; E153-D156 PolarHBondContact O-N 2.8Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 2.97Å; D156-I159 PolarHBondContact O-N 2.9Å; D156-I159 VanDerWaalsContact O-N 3.17Å; D156-E160 WeakPolarHBondContact O-CB 3.07Å; D156-E160 PolarHBondContact O-N 3.21Å; D156-Y176 WeakPolarHBondContact OD1-CE2 3.23Å; D156-Y176 PolarHBondContact OD1-OH 2.81Å; D156-R193 IonicContact OD1-CZ 3.72Å; D156-R193 IonicContact OD1-NH1 3.79Å; D156-R193 IonicContact OD1-NH2 2.76Å; D156-R193 PolarHBondContact OD1-NH2 2.93Å; D156-R193 IonicContact OD2-CZ 3.33Å; D156-R193 IonicContact OD2-NH1 2.65Å; D156-R193 PolarHBondContact OD2-NH1 2.95Å; D156-R193 IonicContact OD2-NH2 3.14Å; D156-R193 PolarHBondContact OD2-NH2 3.22Å; D156-R193 VanDerWaalsContact OD2-NH2 3.14Å
157	A	96.3	Very high	95	Very high	39 Å²	39	47.2 Å²	47.2	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-42.5	177.1	0	0	0	0	0	111.7	F123 E153 A161	F123-A157 HydrophobicContact CD1-CB 4.15Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 2.74Å; A157-A161 VanDerWaalsContact O-CB 3.23Å; A157-A161 WeakPolarHBondContact O-CB 3.29Å; A157-A161 PolarHBondContact O-N 3.41Å
158	A	96.9	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-43.1	175.2	0	0	0	0	0	112.3	I102 F120 F123 F149 A154 S155 D156 M162	I102-A158 HydrophobicContact CD1-CB 4.44Å; F120-A158 HydrophobicContact CD1-CB 3.97Å; F120-A158 HydrophobicContact CE1-CB 4.17Å; F123-A158 HydrophobicContact CB-CB 4.06Å; F123-A158 HydrophobicContact CD1-CB 4.43Å; F123-A158 HydrophobicContact CD2-CB 3.71Å; F123-A158 HydrophobicContact CE2-CB 4.32Å; F123-A158 HydrophobicContact CG-CB 3.79Å; F149-A158 HydrophobicContact CE2-CB 4.01Å; F149-A158 HydrophobicContact CZ-CB 4.01Å; A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.35Å; A154-A158 PolarHBondContact O-N 3.38Å; S155-A158 PolarHBondContact O-N 2.86Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 2.97Å; A158-M162 VanDerWaalsContact O-CB 3.3Å; A158-M162 WeakPolarHBondContact O-CB 3.33Å; A158-M162 PolarHBondContact O-N 3.13Å
159	I	96.7	Very high	94.9	Very high	34 Å²	34	55.2 Å²	55.2	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-47.3	177.4	-69.8	162.3	0	0	0	110.3	I102 S155 D156 N163 I174 Y176	I102-I159 HydrophobicContact CG2-CD1 4.01Å; I102-I159 HydrophobicContact CG2-CG1 4.19Å; S155-I159 WeakPolarHBondContact O-CD1 3.5Å; S155-I159 WeakPolarHBondContact O-CG1 3.4Å; S155-I159 PolarHBondContact O-N 3.44Å; D156-I159 PolarHBondContact O-N 2.9Å; D156-I159 VanDerWaalsContact O-N 3.17Å; I159-N163 WeakPolarHBondContact O-CB 3.4Å; I159-N163 PolarHBondContact O-N 3.17Å; I159-N163 VanDerWaalsContact O-N 3.15Å; I159-I174 HydrophobicContact CG1-CG2 3.76Å; I159-Y176 HydrophobicContact CD1-CD2 3.67Å; I159-Y176 HydrophobicContact CD1-CE2 3.6Å; I159-Y176 HydrophobicContact CD1-CG 4.2Å
160	E	96.9	Very high	95	Very high	172 Å²	172	60.2 Å²	60.2	80%	0.804	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-43.4	-177.5	-173.3	177.2	173.7	0	0	112	D156	D156-E160 WeakPolarHBondContact O-CB 3.07Å; D156-E160 PolarHBondContact O-N 3.21Å
161	A	96.6	Very high	95.3	Very high	46 Å²	46	61.3 Å²	61.3	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-79.9	-38.6	-175.2	0	0	0	0	0	113.6	F123 A157 Q165	F123-A161 HydrophobicContact CE1-CB 3.5Å; F123-A161 HydrophobicContact CZ-CB 3.87Å; A157-A161 VanDerWaalsContact O-CB 3.23Å; A157-A161 WeakPolarHBondContact O-CB 3.29Å; A157-A161 PolarHBondContact O-N 3.41Å; A161-Q165 WeakPolarHBondContact O-CG 3.24Å
162	M	96.7	Very high	95.7	Very high	29 Å²	29	60.2 Å²	60.2	14%	0.143	32%	0.318	C	S	.	.	H	α-helix	trans	-106.4	-12.2	-167.7	-66.4	-70.5	-65.9	0	0	114.4	T119 F120 F123 A158 G164 Q165 I172 I174	T119-M162 HydrophobicContact CG2-CE 3.61Å; F120-M162 HydrophobicContact CE1-CB 4.19Å; F120-M162 HydrophobicContact CE1-CG 4.29Å; F120-M162 HydrophobicContact CZ-CB 4.34Å; F123-M162 HydrophobicContact CE2-CG 3.53Å; F123-M162 HydrophobicContact CE2-SD 4.42Å; F123-M162 HydrophobicContact CZ-CG 3.39Å; F123-M162 HydrophobicContact CZ-SD 4.15Å; A158-M162 VanDerWaalsContact O-CB 3.3Å; A158-M162 WeakPolarHBondContact O-CB 3.33Å; A158-M162 PolarHBondContact O-N 3.13Å; M162-G164 PolarHBondContact O-N 3.45Å; M162-Q165 HydrophobicContact CE-CB 4.47Å; M162-Q165 WeakPolarHBondContact O-CB 3.49Å; M162-Q165 PolarHBondContact O-N 3.42Å; M162-Q165 HydrophobicContact SD-CB 4.36Å; M162-Q165 HydrophobicContact SD-CG 4.4Å; M162-I172 HydrophobicContact CB-CD1 4.44Å; M162-I172 HydrophobicContact CE-CD1 4.13Å; M162-I174 HydrophobicContact CB-CD1 3.32Å
163	N	97	Very high	95.9	Very high	83 Å²	83	63.1 Å²	63.1	44%	0.444	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	120.5	176.6	-178	50.2	0	0	0	110.9	I159 Q165 T173 I174	I159-N163 WeakPolarHBondContact O-CB 3.4Å; I159-N163 PolarHBondContact O-N 3.17Å; I159-N163 VanDerWaalsContact O-N 3.15Å; N163-Q165 VanDerWaalsContact C-N 3.32Å; N163-T173 WeakPolarHBondContact OD1-CA 3.45Å; N163-I174 HydrophobicContact CB-CB 4.22Å; N163-I174 PolarHBondContact OD1-N 2.97Å; N163-I174 PolarHBondContact OD1-O 2.82Å
164	G	96.5	Very high	96.1	Very high	44 Å²	44	55.9 Å²	55.9	45%	0.454	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-4	-174.9	0	0	0	0	0	114.6	M162 I172	M162-G164 PolarHBondContact O-N 3.45Å; G164-I172 WeakPolarHBondContact CA-O 3.43Å; G164-I172 PolarHBondContact N-O 2.68Å
165	Q	97	Very high	96.2	Very high	102 Å²	102	57.5 Å²	57.5	48%	0.477	31%	0.314	S	S	.	.			trans	-75.8	157.2	175.4	-64.3	-60.9	-18.2	0	0	111.6	A161 M162 N163 A171 I172	A161-Q165 WeakPolarHBondContact O-CG 3.24Å; M162-Q165 HydrophobicContact CE-CB 4.47Å; M162-Q165 WeakPolarHBondContact O-CB 3.49Å; M162-Q165 PolarHBondContact O-N 3.42Å; M162-Q165 HydrophobicContact SD-CB 4.36Å; M162-Q165 HydrophobicContact SD-CG 4.4Å; N163-Q165 VanDerWaalsContact C-N 3.32Å; Q165-A171 CarbonylContact O-C 3.58Å; Q165-A171 VanDerWaalsContact O-CA 3.28Å; Q165-A171 WeakPolarHBondContact O-CA 3.5Å; Q165-I172 WeakPolarHBondContact O-CG1 3.42Å; Q165-I172 PolarHBondContact O-N 3.08Å
166	Y	96	Very high	96.2	Very high	166 Å²	166	58.9 Å²	58.9	65%	0.651	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.9	175.8	-77	-102.6	0	0	0	111	R170 A171	Y166-R170 WeakPolarHBondContact CA-O 3.47Å; Y166-A171 HydrophobicContact CD2-CB 4.3Å; Y166-A171 HydrophobicContact CE1-CB 4.31Å; Y166-A171 HydrophobicContact CE2-CB 4.08Å
167	L	94.5	Very high	96.1	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.4	165	-166	68.4	0	0	0	107.5	L107 V111 L115 L116 T119 N169 R170 I172	L107-L167 HydrophobicContact CD2-CD2 4.11Å; V111-L167 HydrophobicContact CG1-CD2 3.93Å; V111-L167 HydrophobicContact CG2-CD2 3.97Å; V111-L167 HydrophobicContact CG2-CG 4.07Å; L115-L167 HydrophobicContact CD2-CD1 4.44Å; L115-L167 HydrophobicContact CD2-CG 4.4Å; L115-L167 HydrophobicContact CG-CD1 4.45Å; L116-L167 HydrophobicContact CD2-CD2 3.81Å; T119-L167 HydrophobicContact CG2-CD1 4.15Å; L167-N169 PolarHBondContact O-N 2.83Å; L167-R170 PolarHBondContact N-O 3.35Å; L167-R170 PolarHBondContact O-N 3.14Å; L167-I172 HydrophobicContact CB-CD1 4.29Å; L167-I172 HydrophobicContact CB-CG2 3.6Å
168	C	93.4	Very high	95.9	Very high	60 Å²	60	60.3 Å²	60.3	41%	0.405	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-123.7	-162.8	-54.9	0	0	0	0	110.8	D108 V111	D108-C168 HydrophobicContact CB-CB 4.03Å; V111-C168 HydrophobicContact CG2-CB 4.43Å
169	N	93.6	Very high	95.5	Very high	118 Å²	118	62.6 Å²	62.6	63%	0.631	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.7	-172.4	-54	-54.7	0	0	0	114	L167	L167-N169 PolarHBondContact O-N 2.83Å
170	R	96	Very high	94.8	Very high	104 Å²	104	70.5 Å²	70.5	39%	0.392	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.5	-175.9	-63.8	-171.7	-178.4	-178.5	-7.1	112.7	N106 L107 D108 Y166 L167 I172	N106-R170 WeakPolarHBondContact O-CB 3.36Å; L107-R170 PolarHBondContact O-NH1 3.41Å; D108-R170 HydrophobicContact CB-CB 4.38Å; D108-R170 HydrophobicContact CB-CG 4.15Å; D108-R170 IonicContact OD2-NE 2.75Å; Y166-R170 WeakPolarHBondContact CA-O 3.47Å; L167-R170 PolarHBondContact N-O 3.35Å; L167-R170 PolarHBondContact O-N 3.14Å; R170-I172 PolarHBondContact O-N 3.39Å
171	A	97	Very high	94	Very high	29 Å²	29	69.7 Å²	69.7	24%	0.24	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.5	170.2	0	0	0	0	0	110.2	N106 Q165 Y166	N106-A171 PolarHBondContact ND2-O 3.13Å; Q165-A171 CarbonylContact O-C 3.58Å; Q165-A171 VanDerWaalsContact O-CA 3.28Å; Q165-A171 WeakPolarHBondContact O-CA 3.5Å; Y166-A171 HydrophobicContact CD2-CB 4.3Å; Y166-A171 HydrophobicContact CE1-CB 4.31Å; Y166-A171 HydrophobicContact CE2-CB 4.08Å
172	I	97.9	Very high	93.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.			trans	-84.4	148.7	-176.5	66	176.2	0	0	0	111.2	I104 G105 L107 F120 M162 G164 Q165 L167 R170 I174	I104-I172 HydrophobicContact CG2-CB 4.02Å; I104-I172 HydrophobicContact CG2-CD1 4.08Å; I104-I172 HydrophobicContact CG2-CG2 4.46Å; G105-I172 WeakPolarHBondContact O-CA 3.42Å; L107-I172 HydrophobicContact CD2-CG2 3.79Å; F120-I172 HydrophobicContact CE2-CD1 4.44Å; F120-I172 HydrophobicContact CZ-CD1 3.93Å; M162-I172 HydrophobicContact CB-CD1 4.44Å; M162-I172 HydrophobicContact CE-CD1 4.13Å; G164-I172 WeakPolarHBondContact CA-O 3.43Å; G164-I172 PolarHBondContact N-O 2.68Å; Q165-I172 WeakPolarHBondContact O-CG1 3.42Å; Q165-I172 PolarHBondContact O-N 3.08Å; L167-I172 HydrophobicContact CB-CD1 4.29Å; L167-I172 HydrophobicContact CB-CG2 3.6Å; R170-I172 PolarHBondContact O-N 3.39Å; I172-I174 HydrophobicContact CD1-CD1 3.77Å; I172-I174 HydrophobicContact CD1-CG1 4.1Å; I172-I174 HydrophobicContact CG1-CD1 4.25Å; I172-I174 HydrophobicContact CG1-CG1 4.17Å
173	T	97.7	Very high	92.2	Very high	71 Å²	71	78.8 Å²	78.8	44%	0.436	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.9	174.3	57.6	0	0	0	0	109.4	I104 G105 N163	I104-T173 CarbonylContact C-O 3.5Å; I104-T173 WeakPolarHBondContact CA-O 3.46Å; G105-T173 WeakPolarHBondContact CA-OG1 3.28Å; G105-T173 PolarHBondContact N-O 3.49Å; G105-T173 PolarHBondContact O-N 3.38Å; G105-T173 PolarHBondContact O-OG1 2.87Å; N163-T173 WeakPolarHBondContact OD1-CA 3.45Å
174	I	97.4	Very high	91.5	Very high	6 Å²	6	77.8 Å²	77.8	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.9	-175.3	-45.9	-179.7	0	0	0	109.8	I102 F103 I104 F120 I159 M162 N163 I172	I102-I174 HydrophobicContact CB-CG2 4.29Å; I102-I174 HydrophobicContact CD1-CG2 3.84Å; F103-I174 WeakPolarHBondContact O-CA 3.35Å; I104-I174 HydrophobicContact CG1-CG1 4.34Å; I104-I174 HydrophobicContact CG1-CG2 4.24Å; I104-I174 HydrophobicContact CG2-CG1 4.32Å; F120-I174 HydrophobicContact CE1-CD1 3.67Å; F120-I174 HydrophobicContact CZ-CD1 3.62Å; I159-I174 HydrophobicContact CG1-CG2 3.76Å; M162-I174 HydrophobicContact CB-CD1 3.32Å; N163-I174 HydrophobicContact CB-CB 4.22Å; N163-I174 PolarHBondContact OD1-N 2.97Å; N163-I174 PolarHBondContact OD1-O 2.82Å; I172-I174 HydrophobicContact CD1-CD1 3.77Å; I172-I174 HydrophobicContact CD1-CG1 4.1Å; I172-I174 HydrophobicContact CG1-CD1 4.25Å; I172-I174 HydrophobicContact CG1-CG1 4.17Å
175	S	95.6	Very high	91	Very high	35 Å²	35	79.8 Å²	79.8	25%	0.245	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	165.4	172.2	60	0	0	0	0	110.8	F103 A177 R186	F103-S175 PolarHBondContact N-O 2.81Å; F103-S175 PolarHBondContact O-N 2.98Å; S175-A177 PolarHBondContact O-N 3.37Å; S175-R186 PolarHBondContact OG-NH1 3.19Å
176	Y	95.3	Very high	90.5	Very high	30 Å²	30	80.2 Å²	80.2	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.5	172.1	-82.7	-74.3	0	0	0	111.7	F152 S155 D156 I159 R186 H187 R193	F152-Y176 AromaticContact CD1-CE1 3.92Å; F152-Y176 HydrophobicContact CD1-CE1 3.92Å; F152-Y176 HydrophobicContact CE1-CE1 4.16Å; F152-Y176 PolarHBondContact O-OH 2.84Å; S155-Y176 WeakPolarHBondContact CB-OH 3.34Å; D156-Y176 WeakPolarHBondContact OD1-CE2 3.23Å; D156-Y176 PolarHBondContact OD1-OH 2.81Å; I159-Y176 HydrophobicContact CD1-CD2 3.67Å; I159-Y176 HydrophobicContact CD1-CE2 3.6Å; I159-Y176 HydrophobicContact CD1-CG 4.2Å; Y176-R186 PolarHBondContact O-NH1 2.96Å; Y176-H187 WeakPolarHBondContact CB-O 3.45Å; Y176-H187 HydrophobicContact CD1-CB 4.01Å; Y176-H187 VanDerWaalsContact CG-O 3.22Å; Y176-R193 PolarHBondContact OH-NH2 3.21Å
177	A	93.9	Very high	90.1	Very high	4 Å²	4	73.7 Å²	73.7	3%	0.033	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-68.4	153.2	179.2	0	0	0	0	0	111.3	N101 F103 F146 S175 R186 H187	N101-A177 HydrophobicContact CB-CB 4.12Å; N101-A177 WeakPolarHBondContact O-CB 3.5Å; N101-A177 PolarHBondContact O-N 2.95Å; F103-A177 HydrophobicContact CB-CB 4.21Å; F146-A177 HydrophobicContact CD1-CB 3.81Å; F146-A177 HydrophobicContact CE1-CB 3.89Å; S175-A177 PolarHBondContact O-N 3.37Å; A177-R186 WeakPolarHBondContact O-CA 3.49Å; A177-H187 PolarHBondContact O-N 3.36Å
178	F	91.3	Very high	89.5	Confident	120 Å²	120	73.8 Å²	73.8	53%	0.526	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-72.9	138.6	170.9	-68.1	-75.6	0	0	0	110.7	E185 R186	F178-E185 WeakPolarHBondContact CA-O 3.41Å; F178-R186 HydrophobicContact CD1-CG 3.7Å; F178-R186 HydrophobicContact CE1-CG 3.68Å; F178-R186 HydrophobicContact CG-CG 4.43Å; F178-R186 HydrophobicContact CZ-CG 4.38Å
179	K	88.5	Confident	89.1	Confident	48 Å²	48	72.5 Å²	72.5	21%	0.209	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.6	136.2	176.4	-67	170.4	70.7	-175.6	0	109.5	D181 S182 E185	K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 2.85Å; K179-S182 PolarHBondContact O-N 2.84Å; K179-E185 HydrophobicContact CD-CB 4.16Å; K179-E185 HydrophobicContact CD-CG 3.94Å; K179-E185 PolarHBondContact N-O 3.03Å; K179-E185 IonicContact NZ-OE1 2.66Å; K179-E185 IonicContact NZ-OE2 2.82Å; K179-E185 PolarHBondContact NZ-OE2 3.16Å
180	K	82.7	Confident	88.7	Confident	200 Å²	200	70.4 Å²	70.4	87%	0.87	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.2	-176	-171	-179.1	176.3	-170.1	0	113
181	D	79.5	Confident	88	Confident	156 Å²	156	68.4 Å²	68.4	83%	0.834	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.1	-172.8	-56.8	-69.5	0	0	0	113.8	K179	K179-D181 VanDerWaalsContact C-N 3.31Å; K179-D181 PolarHBondContact O-N 2.85Å
182	S	77.5	Confident	87.4	Confident	42 Å²	42	68.3 Å²	68.3	29%	0.294	37%	0.371	S	S	.	.	S	Bend	trans	-125.3	115.2	-173.7	-52.9	0	0	0	0	110.6	K179 G184 E185	K179-S182 PolarHBondContact O-N 2.84Å; S182-G184 PolarHBondContact O-N 2.85Å; S182-E185 PolarHBondContact O-N 2.69Å
183	K	78.2	Confident	86.8	Confident	224 Å²	224	71.9 Å²	71.9	97%	0.974	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	104.9	-179.9	-73.6	-174.8	-179.7	-178.4	0	110.6
184	G	81.5	Confident	86.2	Confident	61 Å²	61	74.1 Å²	74.1	63%	0.629	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-2	171.9	0	0	0	0	0	115.4	S182	S182-G184 PolarHBondContact O-N 2.85Å
185	E	86.3	Confident	85.4	Confident	86 Å²	86	79.4 Å²	79.4	40%	0.402	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-83.6	133.7	175.1	-162.9	180	-155.9	0	0	110	F178 K179 S182	F178-E185 WeakPolarHBondContact CA-O 3.41Å; K179-E185 HydrophobicContact CD-CB 4.16Å; K179-E185 HydrophobicContact CD-CG 3.94Å; K179-E185 PolarHBondContact N-O 3.03Å; K179-E185 IonicContact NZ-OE1 2.66Å; K179-E185 IonicContact NZ-OE2 2.82Å; K179-E185 PolarHBondContact NZ-OE2 3.16Å; S182-E185 PolarHBondContact O-N 2.69Å
186	R	87	Confident	84.7	Confident	111 Å²	111	78 Å²	78	42%	0.419	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-95.7	151	174.4	-65.1	-179.9	-178.8	-132.9	9.2	109.8	S175 Y176 A177 F178	S175-R186 PolarHBondContact OG-NH1 3.19Å; Y176-R186 PolarHBondContact O-NH1 2.96Å; A177-R186 WeakPolarHBondContact O-CA 3.49Å; F178-R186 HydrophobicContact CD1-CG 3.7Å; F178-R186 HydrophobicContact CE1-CG 3.68Å; F178-R186 HydrophobicContact CG-CG 4.43Å; F178-R186 HydrophobicContact CZ-CG 4.38Å
187	H	87	Confident	83.9	Confident	29 Å²	29	80 Å²	80	13%	0.134	43%	0.434	C	S	.	.	S	Bend	trans	-60.4	164.2	166.2	-80.6	-63.5	0	0	0	112.1	G99 N101 Y176 A177 E192	G99-H187 WeakPolarHBondContact CA-ND1 3.39Å; G99-H187 WeakPolarHBondContact O-CB 3.49Å; G99-H187 PolarHBondContact O-ND1 3.36Å; N101-H187 PolarHBondContact ND2-NE2 3.35Å; Y176-H187 WeakPolarHBondContact CB-O 3.45Å; Y176-H187 HydrophobicContact CD1-CB 4.01Å; Y176-H187 VanDerWaalsContact CG-O 3.22Å; A177-H187 PolarHBondContact O-N 3.36Å; H187-E192 IonicContact CE1-OE1 3.56Å; H187-E192 IonicContact CG-OE1 3.73Å; H187-E192 IonicContact ND1-OE1 3.29Å; H187-E192 PolarHBondContact ND1-OE1 2.88Å
188	G	82.9	Confident	83	Confident	15 Å²	15	87.3 Å²	87.3	16%	0.155	47%	0.468	C	S	.	.			trans	90.8	16.1	177.2	0	0	0	0	0	114.1	E192 R193	G188-E192 PolarHBondContact N-OE2 3.04Å; G188-R193 PolarHBondContact O-NE 3.43Å
189	S	85.4	Confident	81.9	Confident	33 Å²	33	83.3 Å²	83.3	23%	0.231	46%	0.455	C	S	.	.			trans	-60.8	153.9	173.8	65.5	0	0	0	0	111.5	A191 E192 R193	S189-A191 PolarHBondContact O-N 3.43Å; S189-E192 WeakPolarHBondContact CB-OE2 3.43Å; S189-E192 PolarHBondContact N-OE2 3.13Å; S189-E192 PolarHBondContact O-N 2.94Å; S189-E192 VanDerWaalsContact O-N 3.15Å; S189-E192 VanDerWaalsContact OG-CG 3.31Å; S189-E192 WeakPolarHBondContact OG-CG 3.41Å; S189-E192 PolarHBondContact OG-N 3.44Å; S189-E192 PolarHBondContact OG-OE2 2.94Å; S189-R193 WeakPolarHBondContact O-CG 3.45Å; S189-R193 PolarHBondContact O-N 3Å
190	A	83.8	Confident	80.6	Confident	75 Å²	75	85.7 Å²	85.7	62%	0.62	48%	0.475	S	S	*	.	H	α-helix	trans	-56.8	-34	178.1	0	0	0	0	0	112.4	R193 L194	A190-R193 PolarHBondContact O-N 3.06Å; A190-L194 VanDerWaalsContact O-CG 3.3Å; A190-L194 WeakPolarHBondContact O-CG 3.29Å; A190-L194 PolarHBondContact O-N 3.18Å
191	A	82.2	Confident	79.5	Confident	62 Å²	62	78.5 Å²	78.5	51%	0.512	45%	0.446	S	S	.	.	H	α-helix	trans	-66.3	-45.8	176.8	0	0	0	0	0	112.5	S189 R193 L194 L195	S189-A191 PolarHBondContact O-N 3.43Å; A191-R193 VanDerWaalsContact C-N 3.31Å; A191-R193 PolarHBondContact O-N 3.15Å; A191-L194 PolarHBondContact O-N 2.94Å; A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.12Å
192	E	84.1	Confident	78.3	Confident	26 Å²	26	73.1 Å²	73.1	12%	0.121	42%	0.421	C	S	.	.	H	α-helix	trans	-62.4	-41	176.5	-71.8	167.6	120.1	0	0	111.2	F152 H187 G188 S189 L194 L195 A196	F152-E192 HydrophobicContact CE2-CB 3.99Å; F152-E192 HydrophobicContact CZ-CB 3.63Å; H187-E192 IonicContact CE1-OE1 3.56Å; H187-E192 IonicContact CG-OE1 3.73Å; H187-E192 IonicContact ND1-OE1 3.29Å; H187-E192 PolarHBondContact ND1-OE1 2.88Å; G188-E192 PolarHBondContact N-OE2 3.04Å; S189-E192 WeakPolarHBondContact CB-OE2 3.43Å; S189-E192 PolarHBondContact N-OE2 3.13Å; S189-E192 PolarHBondContact O-N 2.94Å; S189-E192 VanDerWaalsContact O-N 3.15Å; S189-E192 VanDerWaalsContact OG-CG 3.31Å; S189-E192 WeakPolarHBondContact OG-CG 3.41Å; S189-E192 PolarHBondContact OG-N 3.44Å; S189-E192 PolarHBondContact OG-OE2 2.94Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 2.87Å; E192-L195 PolarHBondContact O-N 3.03Å; E192-A196 WeakPolarHBondContact O-CB 3.47Å; E192-A196 PolarHBondContact O-N 3.19Å
193	R	86.2	Confident	76.9	Confident	76 Å²	76	79 Å²	79	29%	0.287	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.7	-68.7	171.5	179.9	-87.5	2.6	112.3	F152 D156 Y176 G188 S189 A190 A191 A196 A197	F152-R193 HydrophobicContact CB-CG 4.21Å; F152-R193 HydrophobicContact CD1-CG 4.21Å; F152-R193 HydrophobicContact CD2-CB 4.37Å; F152-R193 HydrophobicContact CD2-CG 3.85Å; F152-R193 HydrophobicContact CE2-CG 4.28Å; F152-R193 HydrophobicContact CG-CG 3.82Å; D156-R193 IonicContact OD1-CZ 3.72Å; D156-R193 IonicContact OD1-NH1 3.79Å; D156-R193 IonicContact OD1-NH2 2.76Å; D156-R193 PolarHBondContact OD1-NH2 2.93Å; D156-R193 IonicContact OD2-CZ 3.33Å; D156-R193 IonicContact OD2-NH1 2.65Å; D156-R193 PolarHBondContact OD2-NH1 2.95Å; D156-R193 IonicContact OD2-NH2 3.14Å; D156-R193 PolarHBondContact OD2-NH2 3.22Å; D156-R193 VanDerWaalsContact OD2-NH2 3.14Å; Y176-R193 PolarHBondContact OH-NH2 3.21Å; G188-R193 PolarHBondContact O-NE 3.43Å; S189-R193 WeakPolarHBondContact O-CG 3.45Å; S189-R193 PolarHBondContact O-N 3Å; A190-R193 PolarHBondContact O-N 3.06Å; A191-R193 VanDerWaalsContact C-N 3.31Å; A191-R193 PolarHBondContact O-N 3.15Å; R193-A196 PolarHBondContact O-N 3.03Å; R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 2.89Å
194	L	83.6	Confident	75.9	Confident	117 Å²	117	72.2 Å²	72.2	61%	0.613	43%	0.429	S	S	*	.	H	α-helix	trans	-68.3	-34.9	176.7	-72.9	171.3	0	0	0	113	A190 A191 E192 Q198	A190-L194 VanDerWaalsContact O-CG 3.3Å; A190-L194 WeakPolarHBondContact O-CG 3.29Å; A190-L194 PolarHBondContact O-N 3.18Å; A191-L194 PolarHBondContact O-N 2.94Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 2.87Å; L194-Q198 PolarHBondContact O-NE2 3.35Å
195	L	81.5	Confident	74.6	Confident	118 Å²	118	72.7 Å²	72.7	62%	0.618	42%	0.415	S	S	*	.	H	α-helix	trans	-70.6	-40.1	174.4	-71.1	169.2	0	0	0	111.4	A191 E192 Q198	A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.12Å; E192-L195 PolarHBondContact O-N 3.03Å; L195-Q198 PolarHBondContact O-N 2.83Å
196	A	80.8	Confident	73	Confident	4 Å²	4	76.5 Å²	76.5	3%	0.033	43%	0.426	C	S	.	.	H	α-helix	trans	-65.7	-39.7	176.3	0	0	0	0	0	112.7	I98 F152 E192 R193 Q198 S199 S202	I98-A196 HydrophobicContact CB-CB 3.93Å; I98-A196 HydrophobicContact CD1-CB 3.65Å; I98-A196 HydrophobicContact CG1-CB 4.37Å; I98-A196 HydrophobicContact CG2-CB 4.08Å; F152-A196 HydrophobicContact CD2-CB 3.6Å; F152-A196 HydrophobicContact CE2-CB 3.59Å; E192-A196 WeakPolarHBondContact O-CB 3.47Å; E192-A196 PolarHBondContact O-N 3.19Å; R193-A196 PolarHBondContact O-N 3.03Å; A196-Q198 PolarHBondContact O-N 3.02Å; A196-Q198 VanDerWaalsContact O-N 3.1Å; A196-S199 WeakPolarHBondContact O-CB 3.2Å; A196-S199 PolarHBondContact O-N 3.4Å; A196-S202 PolarHBondContact O-OG 3.39Å
197	A	77.9	Confident	71	Confident	74 Å²	74	76 Å²	76	61%	0.612	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.1	177.5	0	0	0	0	0	113.5	R193	R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 2.89Å
198	Q	74.8	Confident	69.2	Low	156 Å²	156	83.2 Å²	83.2	73%	0.729	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.5	174.4	-67.6	172.9	72.5	0	0	112.9	L194 L195 A196	L194-Q198 PolarHBondContact O-NE2 3.35Å; L195-Q198 PolarHBondContact O-N 2.83Å; A196-Q198 PolarHBondContact O-N 3.02Å; A196-Q198 VanDerWaalsContact O-N 3.1Å
199	S	68.1	Low	67.7	Low	37 Å²	37	89.1 Å²	89.1	26%	0.259	49%	0.494	S	S	.	.	S	Bend	trans	-81.3	137.1	178.5	-71.8	0	0	0	0	111.4	A196 L201 S202	A196-S199 WeakPolarHBondContact O-CB 3.2Å; A196-S199 PolarHBondContact O-N 3.4Å; S199-L201 PolarHBondContact O-N 3.29Å; S199-L201 VanDerWaalsContact O-N 3.09Å; S199-S202 PolarHBondContact O-N 3.01Å
200	P	61.2	Low	66.2	Low	97 Å²	97	95.3 Å²	95.3	63%	0.63	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.2	-168.9	24.2	-33.8	0	0	0	114.8
201	L	60.4	Low	64.8	Low	49 Å²	49	102 Å²	102	26%	0.257	54%	0.539	S	S	.	.	H	α-helix	trans	-72.7	-33.1	179.7	-90	80.6	0	0	0	113.1	L96 S199 Q203 A204	L96-L201 HydrophobicContact CD1-CD1 3.22Å; L96-L201 HydrophobicContact CD1-CD2 3.59Å; L96-L201 HydrophobicContact CD1-CG 3.99Å; L96-L201 HydrophobicContact CD2-CD1 3.94Å; L96-L201 HydrophobicContact CG-CD1 4.16Å; S199-L201 PolarHBondContact O-N 3.29Å; S199-L201 VanDerWaalsContact O-N 3.09Å; L201-Q203 PolarHBondContact O-N 3.21Å; L201-A204 PolarHBondContact O-N 3.35Å; L201-A204 VanDerWaalsContact O-N 3.11Å
202	S	53.4	Low	63.2	Low	44 Å²	44	102.4 Å²	102.4	31%	0.308	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-15.7	-177.8	-55.3	0	0	0	0	113.4	A196 S199	A196-S202 PolarHBondContact O-OG 3.39Å; S199-S202 PolarHBondContact O-N 3.01Å
203	Q	49.6	Very low	61.7	Low	164 Å²	164	109.4 Å²	109.4	77%	0.766	58%	0.58	S	S	*	*	H	α-helix	trans	-94.1	-24.4	174.8	-85.4	-178.4	-14.3	0	0	114.4	L201	L201-Q203 PolarHBondContact O-N 3.21Å
204	A	57.1	Low	60.4	Low	82 Å²	82	109.4 Å²	109.4	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-83	-22.3	-172.7	0	0	0	0	0	113.4	L201 R206	L201-A204 PolarHBondContact O-N 3.35Å; L201-A204 VanDerWaalsContact O-N 3.11Å; A204-R206 PolarHBondContact O-N 2.79Å
205	E	54.1	Low	59.4	Low	71 Å²	71	109.2 Å²	109.2	33%	0.332	60%	0.602	S	S	.	*			trans	-97.5	39.5	-172.2	-61.1	178.8	142	0	0	113.2	V125 P207	V125-E205 WeakPolarHBondContact CB-OE1 3.48Å; V125-E205 WeakPolarHBondContact CG2-OE1 3.3Å; E205-P207 WeakPolarHBondContact O-CD 3.11Å
206	R	51.4	Low	58.9	Low	167 Å²	167	109.1 Å²	109.1	63%	0.63	61%	0.608	S	S	*	*			trans	-96.9	59.4	165.3	-69	-172.9	179.3	163.2	-0.5	112.8	A204 H208	A204-R206 PolarHBondContact O-N 2.79Å; R206-H208 PolarHBondContact O-N 3.37Å
207	P	45.7	Very low	58.7	Low	99 Å²	99	114.4 Å²	114.4	64%	0.643	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	105.3	164.2	32.9	-26.6	0	0	0	106.9	E205	E205-P207 WeakPolarHBondContact O-CD 3.11Å
208	H	49.7	Very low	58.6	Low	181 Å²	181	116.4 Å²	116.4	84%	0.838	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.7	-2.5	156.4	-80.4	70.4	0	0	0	115.3	R206	R206-H208 PolarHBondContact O-N 3.37Å
209	Q	51.5	Low	58.8	Low	140 Å²	140	114.5 Å²	114.5	65%	0.654	65%	0.65	S	S	*	*	S	Bend	trans	-92	-2.2	173.7	-71.7	-169.9	11.4	0	0	115.1	F211	Q209-F211 VanDerWaalsContact C-N 3.31Å; Q209-F211 PolarHBondContact O-N 2.83Å
210	L	53.3	Low	59.3	Low	163 Å²	163	118.1 Å²	118.1	85%	0.853	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-0.9	-178	-100	100.5	0	0	0	115.7
211	F	53.9	Low	60	Low	216 Å²	216	119.1 Å²	119.1	95%	0.947	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	3.2	176.6	-84.9	-84.7	0	0	0	114.4	Q209	Q209-F211 VanDerWaalsContact C-N 3.31Å; Q209-F211 PolarHBondContact O-N 2.83Å
212	A	49.7	Very low	60.7	Low	69 Å²	69	122.4 Å²	122.4	57%	0.57	70%	0.704	S	S	*	*	S	Bend	trans	-96.4	118.5	171.7	0	0	0	0	0	109.2	A214	A212-A214 PolarHBondContact O-N 3.02Å
213	D	51.6	Low	61.5	Low	174 Å²	174	125.9 Å²	125.9	93%	0.93	73%	0.725	S	S	*	*			trans	-61.9	59.3	169.9	-171.4	51	0	0	0	111.2
214	A	59	Low	62.5	Low	75 Å²	75	123.9 Å²	123.9	62%	0.62	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-91.4	124.6	177	0	0	0	0	0	108.6	A212	A212-A214 PolarHBondContact O-N 3.02Å
215	P	62.6	Low	62.6	Low	114 Å²	114	124.6 Å²	124.6	74%	0.74	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.8	143.2	178.3	22.8	-30.6	0	0	0	110.5
216	P	71.6	Confident	62.5	Low	115 Å²	115	129.8 Å²	129.8	75%	0.747	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-57.4	142.9	-179.2	23.4	-33.3	0	0	0	110.8
217	P	75.4	Confident	62.4	Low	116 Å²	116	129.7 Å²	129.7	75%	0.753	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-61.2	143.5	175	25.4	-32.7	0	0	0	110.3
218	P	76.8	Confident	62.5	Low	115 Å²	115	129.2 Å²	129.2	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.6	147.9	-179.8	25.3	-33.1	0	0	0	111.3
219	P	78.4	Confident	62.5	Low	116 Å²	116	123.8 Å²	123.8	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-61.6	148.3	177.3	25.5	-33.2	0	0	0	111.2
220	P	78.2	Confident	62.4	Low	114 Å²	114	124.3 Å²	124.3	74%	0.74	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.2	145.7	176.5	25.2	-32.8	0	0	0	110.9
221	P	76.7	Confident	62.1	Low	117 Å²	117	124.8 Å²	124.8	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.9	145.3	-179.4	25.1	-32.9	0	0	0	111.3
222	P	74.3	Confident	61.7	Low	119 Å²	119	119.2 Å²	119.2	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.2	145.6	176.8	25.7	-32.6	0	0	0	110.8
223	P	71.8	Confident	61.8	Low	116 Å²	116	123.8 Å²	123.8	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.3	177.9	24.2	-32.1	0	0	0	111.1	A225	P223-A225 PolarHBondContact O-N 3.07Å; P223-A225 VanDerWaalsContact O-N 3.14Å
224	P	70.2	Confident	61.9	Low	123 Å²	123	120.9 Å²	120.9	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.6	118.8	-177.7	-16.9	28.8	0	0	0	110.7	L226	P224-L226 PolarHBondContact O-N 3.08Å; P224-L226 VanDerWaalsContact O-N 3.1Å
225	A	58.4	Low	61.7	Low	97 Å²	97	124 Å²	124	80%	0.802	79%	0.79	S	S	*	*			trans	-66.9	108.1	168.5	0	0	0	0	0	108.7	P223 L227	P223-A225 PolarHBondContact O-N 3.07Å; P223-A225 VanDerWaalsContact O-N 3.14Å; A225-L227 VanDerWaalsContact C-N 3.32Å; A225-L227 PolarHBondContact O-N 3.25Å
226	L	53.1	Low	60.9	Low	179 Å²	179	124.2 Å²	124.2	94%	0.937	79%	0.792	S	S	*	*			trans	-65.6	91.3	165.3	-77.9	156.6	0	0	0	108.2	P224	P224-L226 PolarHBondContact O-N 3.08Å; P224-L226 VanDerWaalsContact O-N 3.1Å
227	L	48.1	Very low	60.1	Low	165 Å²	165	125.6 Å²	125.6	86%	0.864	80%	0.799	S	S	*	*			trans	-109.4	119.8	165.7	-170.7	60.6	0	0	0	110.2	A225	A225-L227 VanDerWaalsContact C-N 3.32Å; A225-L227 PolarHBondContact O-N 3.25Å
228	A	48.7	Very low	58.8	Low	90 Å²	90	127.9 Å²	127.9	74%	0.744	80%	0.801	S	S	*	*			trans	-61.2	141.7	-177.7	0	0	0	0	0	113.8
229	G	48.4	Very low	57.4	Low	66 Å²	66	129 Å²	129	68%	0.68	81%	0.806	S	S	*	*			trans	61.1	113.4	138.3	0	0	0	0	0	118.4
230	T	49.4	Very low	55.9	Low	151 Å²	151	128.9 Å²	128.9	93%	0.926	81%	0.808	S	S	*	*				-176.4	144.5	109.2	27.1	0	0	0	0	110.7
231	M	46.9	Very low	54.6	Low	173 Å²	173	131 Å²	131	85%	0.852	81%	0.811	S	S	*	*			trans	-77.4	140.8	-172.1	-57	-140.4	169.8	0	0	112.3
232	A	47.5	Very low	53.1	Low	100 Å²	100	130.7 Å²	130.7	83%	0.826	81%	0.807	S	S	*	*			trans	-159.2	131.5	148.6	0	0	0	0	0	110.9
233	H	50.7	Low	52.4	Low	165 Å²	165	132.1 Å²	132.1	76%	0.764	81%	0.807	S	S	*	*			trans	-85.8	149.2	-172.6	-64.5	48.2	0	0	0	111.3
234	S	53	Low	51.4	Low	113 Å²	113	131.7 Å²	131.7	79%	0.79	80%	0.804	S	S	*	*			trans	179.8	113	131.5	31.3	0	0	0	0	113.9
235	V	55.6	Low	50.4	Low	140 Å²	140	130.8 Å²	130.8	85%	0.848	81%	0.807	S	S	*	*			trans	43.5	131.8	141.5	-75.2	0	0	0	0	123.5
236	P	46.3	Very low	49.9	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	80%	0.8	S	S	*	*			trans	-97.7	156.7	170.2	38.3	-30.3	0	0	0	112.9
237	T	55	Low	49.9	Very low	144 Å²	144	126.6 Å²	126.6	88%	0.883	80%	0.797	S	S	*	*			trans	-128.3	130.6	165.2	-62.9	0	0	0	0	110.3
238	M	47.1	Very low	50	Low	164 Å²	164	126.5 Å²	126.5	81%	0.808	80%	0.797	S	S	*	*			trans	-81.6	148.5	-177.4	-73.1	-92.1	156.3	0	0	112.6
239	T	47.6	Very low	50.6	Low	138 Å²	138	129 Å²	129	85%	0.847	80%	0.802	S	S	*	*			trans	172.2	100.7	136.6	27.3	0	0	0	0	107.9
240	S	47.7	Very low	51.3	Low	113 Å²	113	133.8 Å²	133.8	79%	0.79	81%	0.809	S	S	*	*				77.7	132.6	85.9	-108.5	0	0	0	0	116.3
241	I	49.3	Very low	52.5	Low	159 Å²	159	131.7 Å²	131.7	82%	0.815	80%	0.798	S	S	*	*			trans	89.6	137.7	163.9	-52.8	161.3	0	0	0	115.2
242	T	47.1	Very low	53.9	Low	111 Å²	111	129 Å²	129	68%	0.681	79%	0.794	S	S	*	*			cis	167.2	110.3	-37.9	-95.1	0	0	0	0	105.6
243	I	57.9	Low	55.4	Low	148 Å²	148	130 Å²	130	76%	0.759	79%	0.792	S	S	*	*			trans	68.8	163	144.9	-25.4	163.6	0	0	0	118.1
244	P	52.2	Low	56.8	Low	108 Å²	108	127.8 Å²	127.8	70%	0.701	79%	0.792	S	S	*	*				-139.5	-166	-88.4	46.7	-28.5	0	0	0	114.4
245	A	48.9	Very low	58	Low	103 Å²	103	128.2 Å²	128.2	85%	0.851	79%	0.792	S	S	*	*			trans	80.2	96.5	153	0	0	0	0	0	117.4
246	G	48.6	Very low	59.1	Low	64 Å²	64	127.2 Å²	127.2	66%	0.66	79%	0.788	S	S	*	*			trans	-170.9	113.2	166	0	0	0	0	0	110.3
247	S	52.1	Low	60	Low	125 Å²	125	127.2 Å²	127.2	87%	0.874	79%	0.788	S	S	*	*			trans	-13.9	120	166.8	-44.7	0	0	0	0	116.6
248	L	50.8	Low	60	Low	163 Å²	163	127.7 Å²	127.7	85%	0.853	78%	0.784	S	S	*	*			trans	-113.9	100.7	167.9	-67.1	-179.9	0	0	0	110.4
249	V	59.7	Low	60.2	Low	142 Å²	142	129 Å²	129	86%	0.861	79%	0.787	S	S	*	*			trans	-74	113.9	152.9	169.2	0	0	0	0	106.2
250	M	63.4	Low	60.1	Low	166 Å²	166	128.7 Å²	128.7	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-84.6	134.4	174.2	-77.4	-171.7	69.7	0	0	110.7
251	P	74.5	Confident	60.1	Low	107 Å²	107	127.4 Å²	127.4	70%	0.695	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.1	157.5	169.8	33.4	-32.1	0	0	0	111.4
252	P	77.1	Confident	59.9	Low	118 Å²	118	127.4 Å²	127.4	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.8	153.4	-178.5	31.3	-34.4	0	0	0	112.7
253	P	79.6	Confident	59.9	Low	121 Å²	121	128.4 Å²	128.4	79%	0.786	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-77.6	153.3	177.8	31.3	-33.5	0	0	0	113
254	P	78.9	Confident	59.3	Low	118 Å²	118	125.2 Å²	125.2	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.8	158.8	-177.6	32.3	-34.7	0	0	0	113.8
255	P	78.5	Confident	59	Low	121 Å²	121	130.2 Å²	130.2	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.1	152.2	-177.3	31.2	-34.3	0	0	0	113.6
256	P	78.3	Confident	58.7	Low	119 Å²	119	128.6 Å²	128.6	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-76.9	156.8	178	31.1	-33.2	0	0	0	113.1
257	P	66.4	Low	58.6	Low	119 Å²	119	134.4 Å²	134.4	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.1	141.7	-168.8	30.4	-33.5	0	0	0	114
258	I	54.7	Low	58.3	Low	155 Å²	155	132.9 Å²	132.9	80%	0.795	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-70.3	127.5	171.4	-64.4	168	0	0	0	109.3
259	Q	51.9	Low	58.2	Low	190 Å²	190	133.6 Å²	133.6	89%	0.888	80%	0.797	S	S	*	*			trans	-115.2	122.8	161.8	-72.7	-167.9	10	0	0	110.4
260	T	44.6	Very low	57.9	Low	132 Å²	132	133.5 Å²	133.5	81%	0.81	80%	0.796	S	S	*	*			trans	-104.9	120	178.8	-35.8	0	0	0	0	108
261	A	47.4	Very low	56.8	Low	86 Å²	86	134.8 Å²	134.8	71%	0.711	80%	0.8	S	S	*	*			trans	-165.3	104.6	161.2	0	0	0	0	0	107.8
262	L	46.1	Very low	55.5	Low	159 Å²	159	133 Å²	133	83%	0.832	80%	0.8	S	S	*	*				97	95.5	89.3	-87.3	152.8	0	0	0	112.4
263	V	45.8	Very low	54.3	Low	133 Å²	133	132.5 Å²	132.5	81%	0.806	81%	0.807	S	S	*	*			trans	12	125.9	140.4	-108.2	0	0	0	0	119.1
264	G	46.8	Very low	53.5	Low	81 Å²	81	135.4 Å²	135.4	84%	0.835	81%	0.812	S	S	*	*			trans	-152.5	104.7	157.4	0	0	0	0	0	110.6
265	F	44.4	Very low	53.1	Low	212 Å²	212	135.2 Å²	135.2	93%	0.93	81%	0.811	S	S	*	*			trans	-79	141	174.9	-115.5	-98.8	0	0	0	110.4
266	G	42.3	Very low	53	Low	69 Å²	69	135 Å²	135	71%	0.711	81%	0.809	S	S	*	*			trans	164.1	88.9	164.9	0	0	0	0	0	118.2
267	Q	46.9	Very low	52.9	Low	186 Å²	186	135 Å²	135	87%	0.869	81%	0.809	S	S	*	*			trans	63.9	113.6	140.3	-71.7	-167.8	-29.2	0	0	123.5
268	S	46.6	Very low	53.5	Low	93 Å²	93	134.8 Å²	134.8	65%	0.65	81%	0.808	S	S	*	*				65	118	114.8	-65.8	0	0	0	0	122.8
269	M	48.9	Very low	54.7	Low	179 Å²	179	133 Å²	133	88%	0.882	81%	0.806	S	S	*	*			trans	66.3	132.6	144.1	-52.5	-165.3	-169.2	0	0	115
270	V	52	Low	56	Low	139 Å²	139	129.4 Å²	129.4	84%	0.842	80%	0.8	S	S	*	*				-162	149.6	62.6	-168.2	0	0	0	0	108.7
271	H	40.2	Very low	57.6	Low	194 Å²	194	128.7 Å²	128.7	90%	0.898	80%	0.797	S	S	*	*			trans	-52.7	133.6	173	-76.9	49.4	0	0	0	113
272	G	48.3	Very low	59.1	Low	68 Å²	68	130.2 Å²	130.2	70%	0.701	80%	0.8	S	S	*	*			trans	-149.9	101.1	168.7	0	0	0	0	0	109.8	M274	G272-M274 PolarHBondContact O-N 2.81Å
273	A	51.5	Low	60.6	Low	108 Å²	108	128.1 Å²	128.1	89%	0.893	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.4	121.8	175.9	0	0	0	0	0	110.4
274	M	62.8	Low	62	Low	182 Å²	182	127.4 Å²	127.4	90%	0.897	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80	134.9	170.9	-66.1	-165.4	-162.9	0	0	109.7	G272	G272-M274 PolarHBondContact O-N 2.81Å
275	P	71.4	Confident	63.1	Low	115 Å²	115	130.3 Å²	130.3	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.8	154.1	175.2	30.9	-33	0	0	0	110.9
276	P	74.9	Confident	64.4	Low	115 Å²	115	127.2 Å²	127.2	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.4	153.3	177.8	29.5	-34.3	0	0	0	111.4
277	P	77	Confident	65.6	Low	119 Å²	119	129.3 Å²	129.3	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.7	152	178.2	28.7	-33.8	0	0	0	111.6
278	P	78.2	Confident	66.3	Low	116 Å²	116	127.9 Å²	127.9	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-70.1	155.7	-179	29	-34.1	0	0	0	112.4
279	P	80	Confident	67.2	Low	116 Å²	116	129 Å²	129	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.7	155.5	179.2	28.6	-34.3	0	0	0	112.4
280	P	79	Confident	67.6	Low	116 Å²	116	126.9 Å²	126.9	75%	0.753	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.6	152.9	179.5	27.5	-33.7	0	0	0	112.2
281	P	78.9	Confident	67.4	Low	117 Å²	117	124.9 Å²	124.9	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.6	152.8	-178.9	28	-34.1	0	0	0	112
282	P	78.5	Confident	68	Low	117 Å²	117	121.3 Å²	121.3	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.9	152.7	178.1	27.9	-33.9	0	0	0	111.6
283	P	77.8	Confident	68.1	Low	115 Å²	115	123 Å²	123	75%	0.747	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65	154.8	-179.9	27.3	-34	0	0	0	111.8	V285	P283-V285 PolarHBondContact O-N 3.04Å
284	P	75.3	Confident	68.3	Low	118 Å²	118	122 Å²	122	77%	0.766	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.7	126.7	-179.1	-13.8	27.6	0	0	0	110.6	L286	P284-L286 PolarHBondContact O-N 3.27Å; P284-L286 VanDerWaalsContact O-N 3.09Å
285	V	71.1	Confident	67.8	Low	142 Å²	142	119 Å²	119	86%	0.861	78%	0.775	S	S	*	*			trans	-69.3	104	168.1	179.5	0	0	0	0	107.3	P283	P283-V285 PolarHBondContact O-N 3.04Å
286	L	71.3	Confident	67.1	Low	147 Å²	147	119 Å²	119	77%	0.77	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68.1	135.5	170.7	-71.8	174.7	0	0	0	109.5	P284 I288	P284-L286 PolarHBondContact O-N 3.27Å; P284-L286 VanDerWaalsContact O-N 3.09Å; L286-I288 PolarHBondContact O-N 2.73Å
287	P	66.6	Low	66.3	Low	114 Å²	114	118.9 Å²	118.9	74%	0.74	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69	130.4	-179.5	27.3	-31.3	0	0	0	110.2	P289	P287-P289 WeakPolarHBondContact O-CD 3.23Å
288	I	63.1	Low	65.8	Low	156 Å²	156	122.9 Å²	122.9	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61	121	171.4	-53.8	167.2	0	0	0	107.6	L286 V290	L286-I288 PolarHBondContact O-N 2.73Å; I288-V290 PolarHBondContact O-N 2.89Å
289	P	64.5	Low	65.6	Low	117 Å²	117	122.6 Å²	122.6	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.2	117	170.8	26.8	-28.5	0	0	0	108.8	P287 A291	P287-P289 WeakPolarHBondContact O-CD 3.23Å; P289-A291 PolarHBondContact O-N 3.09Å
290	V	56.7	Low	65.5	Low	134 Å²	134	122.6 Å²	122.6	81%	0.812	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55	127.5	167.6	155.8	0	0	0	0	109.2	I288 S292	I288-V290 PolarHBondContact O-N 2.89Å; V290-S292 PolarHBondContact O-N 2.88Å
291	A	49.1	Very low	65.6	Low	96 Å²	96	122.6 Å²	122.6	79%	0.793	78%	0.779	S	S	*	*			trans	-54.2	115.4	174.2	0	0	0	0	0	111	P289	P289-A291 PolarHBondContact O-N 3.09Å
292	S	52.4	Low	65.6	Low	120 Å²	120	122.6 Å²	122.6	84%	0.839	78%	0.779	S	S	*	*			trans	-95.8	114.6	157.1	-88.4	0	0	0	0	108.4	V290 A294	V290-S292 PolarHBondContact O-N 2.88Å; S292-A294 PolarHBondContact O-N 3.06Å
293	A	49.2	Very low	65.7	Low	104 Å²	104	122.5 Å²	122.5	86%	0.86	78%	0.778	S	S	*	*			trans	-60.8	120.3	173.4	0	0	0	0	0	110.5
294	A	56.9	Low	65.8	Low	87 Å²	87	122.5 Å²	122.5	72%	0.719	78%	0.778	S	S	*	*			trans	-114.7	122.9	158.3	0	0	0	0	0	107.5	S292	S292-A294 PolarHBondContact O-N 3.06Å
295	P	51.8	Low	65.9	Low	118 Å²	118	122.2 Å²	122.2	77%	0.766	78%	0.777	S	S	*	*			trans	-84	124.7	171.2	32.7	-26.4	0	0	0	107.3
296	T	58	Low	65.9	Low	114 Å²	114	121.2 Å²	121.2	70%	0.699	77%	0.773	S	S	*	*			trans	-171.4	93.8	156.7	15.6	0	0	0	0	110.9	F298	T296-F298 PolarHBondContact O-N 2.71Å
297	S	57.2	Low	65.4	Low	114 Å²	114	120.1 Å²	120.1	80%	0.797	78%	0.777	S	S	*	*			trans	21.2	91.1	141.1	57.9	0	0	0	0	118
298	F	65.7	Low	64.9	Low	202 Å²	202	118 Å²	118	89%	0.886	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-83.5	131.3	150.9	-86.5	-88.7	0	0	0	109	T296	T296-F298 PolarHBondContact O-N 2.71Å
299	P	75.5	Confident	64.5	Low	111 Å²	111	118.1 Å²	118.1	72%	0.721	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.2	146	173.2	27.8	-32.8	0	0	0	110.2
300	P	78	Confident	64.2	Low	115 Å²	115	121.6 Å²	121.6	75%	0.747	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.1	152.8	175.7	27.7	-33.8	0	0	0	111
301	P	79.2	Confident	64.2	Low	116 Å²	116	120 Å²	120	75%	0.753	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-61.2	150.4	174.2	26.6	-33.8	0	0	0	111.1
302	P	80.7	Confident	64.7	Low	117 Å²	117	119.5 Å²	119.5	76%	0.76	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-63.2	149.3	177.9	26.7	-33.7	0	0	0	111.4
303	P	80.6	Confident	65.5	Low	115 Å²	115	119.3 Å²	119.3	75%	0.747	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.8	152.5	175.8	27.2	-33.6	0	0	0	111.3
304	P	78.8	Confident	66.7	Low	115 Å²	115	119.8 Å²	119.8	75%	0.747	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-60.3	149.7	175.2	26.2	-33.6	0	0	0	110.8
305	P	77.1	Confident	67.6	Low	113 Å²	113	121 Å²	121	73%	0.734	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-59.1	145.8	177.4	25.2	-33.2	0	0	0	110.6	S307	P305-S307 PolarHBondContact O-N 2.73Å
306	P	71.2	Confident	68.7	Low	120 Å²	120	120.7 Å²	120.7	78%	0.779	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-57	136.2	176.6	24	-31.9	0	0	0	108.9	A308	P306-A308 VanDerWaalsContact C-N 3.3Å; P306-A308 PolarHBondContact O-N 3.07Å
307	S	61.2	Low	69.1	Low	124 Å²	124	121 Å²	121	87%	0.867	76%	0.759	S	S	*	*			trans	-51.5	95.1	175.7	-53.4	0	0	0	0	109.4	P305 N309	P305-S307 PolarHBondContact O-N 2.73Å; S307-N309 PolarHBondContact O-N 3.16Å
308	A	56.4	Low	69.1	Low	71 Å²	71	125.8 Å²	125.8	59%	0.587	77%	0.766	S	S	*	*			trans	-64.6	113.5	166.5	0	0	0	0	0	105.1	P306 F310	P306-A308 VanDerWaalsContact C-N 3.3Å; P306-A308 PolarHBondContact O-N 3.07Å; A308-F310 HydrophobicContact CB-CD2 4.2Å; A308-F310 HydrophobicContact CB-CE2 4.21Å; A308-F310 PolarHBondContact O-N 3.33Å
309	N	55.1	Low	68.6	Low	157 Å²	157	124.5 Å²	124.5	84%	0.84	76%	0.763	S	S	*	*			trans	-53.7	82.8	168.4	-133.7	33.9	0	0	0	107.4	S307 S311	S307-N309 PolarHBondContact O-N 3.16Å; N309-S311 PolarHBondContact O-N 3.16Å
310	F	56.8	Low	67.3	Low	191 Å²	191	122.4 Å²	122.4	84%	0.838	76%	0.761	S	S	*	*			trans	-73.4	85.3	168.2	-93.1	-84.1	0	0	0	105.8	A308 A312	A308-F310 HydrophobicContact CB-CD2 4.2Å; A308-F310 HydrophobicContact CB-CE2 4.21Å; A308-F310 PolarHBondContact O-N 3.33Å; F310-A312 PolarHBondContact O-N 3.31Å; F310-A312 VanDerWaalsContact O-N 3.07Å
311	S	57.4	Low	66.2	Low	101 Å²	101	127.6 Å²	127.6	71%	0.706	77%	0.767	S	S	*	*			trans	-45.1	115.2	153.1	-64.7	0	0	0	0	107	N309	N309-S311 PolarHBondContact O-N 3.16Å
312	A	60.3	Low	65.3	Low	84 Å²	84	127.4 Å²	127.4	69%	0.694	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-49.4	137.4	174.3	0	0	0	0	0	109.2	F310	F310-A312 PolarHBondContact O-N 3.31Å; F310-A312 VanDerWaalsContact O-N 3.07Å
313	P	69.2	Low	63.6	Low	116 Å²	116	130.5 Å²	130.5	75%	0.753	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.3	170.6	25.9	-31.8	0	0	0	108.5
314	P	73.6	Confident	62.2	Low	115 Å²	115	133.5 Å²	133.5	75%	0.747	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.5	147.3	176.9	26.4	-33	0	0	0	109.9
315	P	75.5	Confident	60.6	Low	113 Å²	113	133 Å²	133	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.5	149.8	174.9	26.7	-33.6	0	0	0	110.5
316	P	74.5	Confident	59.5	Low	111 Å²	111	132.5 Å²	132.5	72%	0.721	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-60.3	147.1	175	26.1	-33.4	0	0	0	110.5	F318	P316-F318 PolarHBondContact O-N 3.27Å
317	P	66.3	Low	58.2	Low	120 Å²	120	133.7 Å²	133.7	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.6	128	-179.9	25.1	-32	0	0	0	110.4	Q319	P317-Q319 PolarHBondContact O-N 2.97Å
318	F	58.4	Low	57.6	Low	214 Å²	214	136.8 Å²	136.8	94%	0.939	78%	0.784	S	S	*	*			trans	-57.5	103	168.1	-107.5	-95.4	0	0	0	108.9	P316 G320	P316-F318 PolarHBondContact O-N 3.27Å; F318-G320 PolarHBondContact O-N 3.08Å; F318-G320 VanDerWaalsContact O-N 3.16Å
319	Q	53.8	Low	57.1	Low	176 Å²	176	139.9 Å²	139.9	82%	0.822	79%	0.787	S	S	*	*			trans	-80.4	96.3	169.3	-153.1	159.8	-13.6	0	0	106.9	P317 Y321	P317-Q319 PolarHBondContact O-N 2.97Å; Q319-Y321 PolarHBondContact O-N 3.22Å
320	G	49.6	Very low	56.8	Low	67 Å²	67	142.4 Å²	142.4	69%	0.691	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.5	119.7	176.1	0	0	0	0	0	110.4	F318	F318-G320 PolarHBondContact O-N 3.08Å; F318-G320 VanDerWaalsContact O-N 3.16Å
321	Y	54.5	Low	56.4	Low	223 Å²	223	141.8 Å²	141.8	88%	0.875	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.8	125.9	162.1	-74.7	-87	0	0	0	108.2	Q319 L323	Q319-Y321 PolarHBondContact O-N 3.22Å; Y321-L323 PolarHBondContact O-N 3.39Å
322	P	60.6	Low	55.8	Low	112 Å²	112	143.4 Å²	143.4	73%	0.727	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.6	126.8	175	27.2	-29.4	0	0	0	109.5	Q324	P322-Q324 PolarHBondContact O-N 3.41Å; P322-Q324 VanDerWaalsContact O-N 3.08Å
323	L	44.6	Very low	55.6	Low	183 Å²	183	146.1 Å²	146.1	96%	0.958	80%	0.799	S	S	*	*			trans	-55.6	108.1	160	-81.6	161.5	0	0	0	108.2	Y321	Y321-L323 PolarHBondContact O-N 3.39Å
324	Q	50.9	Low	54.6	Low	178 Å²	178	144.1 Å²	144.1	83%	0.832	80%	0.799	S	S	*	*			trans	-108.2	97.8	166.6	-153.3	155.2	37.4	0	0	108.1	P322 S326	P322-Q324 PolarHBondContact O-N 3.41Å; P322-Q324 VanDerWaalsContact O-N 3.08Å; Q324-S326 PolarHBondContact O-N 3.44Å
325	A	45.6	Very low	53.7	Low	103 Å²	103	144.1 Å²	144.1	85%	0.851	80%	0.802	S	S	*	*			trans	-64	121.3	160.6	0	0	0	0	0	108.1
326	S	53.7	Low	52.8	Low	103 Å²	103	144.5 Å²	144.5	72%	0.72	80%	0.802	S	S	*	*			trans	-137.3	96.5	162.7	57.4	0	0	0	0	108.5	Q324 Q328	Q324-S326 PolarHBondContact O-N 3.44Å; S326-Q328 PolarHBondContact O-N 3.45Å
327	D	45.2	Very low	52.1	Low	145 Å²	145	143.5 Å²	143.5	78%	0.775	80%	0.803	S	S	*	*			trans	-45.8	119.8	152.9	-137.3	-81.4	0	0	0	109.5
328	Q	48.5	Very low	51.7	Low	189 Å²	189	144.1 Å²	144.1	88%	0.883	81%	0.807	S	S	*	*			trans	-159.6	112.7	152.1	-116.4	166.4	80.5	0	0	111.8	S326	S326-Q328 PolarHBondContact O-N 3.45Å
329	Q	46	Very low	52.2	Low	136 Å²	136	137.5 Å²	137.5	64%	0.636	80%	0.799	S	S	*	*			trans	-62.5	174.1	169.9	-72.8	173.4	-35.3	0	0	113
330	W	47.1	Very low	52.9	Low	210 Å²	210	135.3 Å²	135.3	80%	0.795	80%	0.801	S	S	*	*			trans	90.4	121.8	168.4	-45.7	113.1	0	0	0	112.8
331	Q	48.2	Very low	53.9	Low	178 Å²	178	138.5 Å²	138.5	83%	0.832	81%	0.806	S	S	*	*			cis	-164.7	146.9	29	-120.3	166.3	82.7	0	0	110.9
332	T	46	Very low	54	Low	135 Å²	135	137 Å²	137	83%	0.828	81%	0.808	S	S	*	*			trans	-90.1	125.2	179.1	49	0	0	0	0	111.9
333	T	55.7	Low	54.4	Low	142 Å²	142	138 Å²	138	87%	0.871	81%	0.811	S	S	*	*			trans	-156.3	126.9	152.6	54.1	0	0	0	0	105
334	G	48.1	Very low	55	Low	74 Å²	74	137.4 Å²	137.4	76%	0.763	83%	0.833	S	S	*	*			cis	133	108.6	23	0	0	0	0	0	107.3
335	S	55	Low	55.2	Low	115 Å²	115	135.4 Å²	135.4	80%	0.804	83%	0.833	S	S	*	*			trans	77.3	115.4	149.9	-145.8	0	0	0	0	119.9
336	T	55.9	Low	55.8	Low	121 Å²	121	137.1 Å²	137.1	74%	0.742	83%	0.832	S	S	*	*				163.1	120.6	84.1	-56.4	0	0	0	0	112.9
337	A	61	Low	55.9	Low	89 Å²	89	138.9 Å²	138.9	74%	0.736	84%	0.838	S	S	*	*			trans	61.6	133.2	146.6	0	0	0	0	0	124.1
338	P	57.3	Low	56.5	Low	133 Å²	133	138.6 Å²	138.6	86%	0.864	84%	0.842	S	S	*	*			trans	-103.8	162.7	169.2	39.8	-30	0	0	0	112.8
339	G	68.7	Low	57	Low	76 Å²	76	135.4 Å²	135.4	78%	0.784	84%	0.839	S	S	*	*			trans	-148	132.4	165.6	0	0	0	0	0	111.9
340	P	68.8	Low	57.7	Low	130 Å²	130	135.4 Å²	135.4	84%	0.844	85%	0.853	S	S	*	*			trans	-112.4	126.2	159.3	33.3	-20.7	0	0	0	110.4
341	T	70.8	Confident	58.5	Low	133 Å²	133	130.1 Å²	130.1	82%	0.816	86%	0.857	S	S	*	*			trans	-95.2	119.3	172.1	-62.2	0	0	0	0	109.2	V343	T341-V343 HydrophobicContact CG2-CG2 4.12Å
342	Q	57.4	Low	59.3	Low	193 Å²	193	126.4 Å²	126.4	90%	0.902	86%	0.859	S	S	*	*			trans	-77.8	142.5	158.4	-79.8	-172.9	37.6	0	0	109.6
343	V	67.2	Low	60.4	Low	131 Å²	131	125.7 Å²	125.7	79%	0.794	86%	0.861	S	S	*	*			trans	-127.3	123.7	164.1	179.6	0	0	0	0	107.6	T341	T341-V343 HydrophobicContact CG2-CG2 4.12Å
344	A	58.9	Low	60.8	Low	171 Å²	171	124.2 Å²	124.2	100%	1.413	86%	0.86	S	S	*	*			trans	36	0	158.4	0	0	0	0	0	119.4

Retrieved 344 of 344 residues in 70.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).