A0A077ZDL9_TRITR Loading...

protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A077ZDL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.6	Low	89	Confident	160 Å²	160	71.4 Å²	71.4	79%	0.788	37%	0.372	S	S	*	.				0	145.1	0	-72.9	-166	-65.3	0	0	108.7	K14 L54	M1-K14 HydrophobicContact SD-CB 4.29Å; M1-L54 HydrophobicContact CE-CD1 4.34Å
2	P	84.8	Confident	88.7	Confident	92 Å²	92	67.7 Å²	67.7	60%	0.597	35%	0.354	S	S	*	.			trans	-50.8	156.1	167	-26.2	35.8	0	0	0	112	V4 N5	P2-V4 VanDerWaalsContact C-N 3.3Å; P2-V4 VanDerWaalsContact CB-O 3.29Å; P2-V4 WeakPolarHBondContact CB-O 3.35Å; P2-N5 PolarHBondContact O-ND2 2.69Å; P2-N5 VanDerWaalsContact O-ND2 3.08Å
3	I	92.4	Very high	88.1	Confident	68 Å²	68	73.8 Å²	73.8	35%	0.349	38%	0.379	S	S	.	.	S	Bend	trans	-63.9	-40.5	177.3	-67.7	177.6	0	0	0	110.6	T43 A46 K47	I3-T43 HydrophobicContact CG2-CG2 4.41Å; I3-A46 HydrophobicContact CG2-CB 3.38Å; I3-K47 HydrophobicContact CD1-CD 4.47Å; I3-K47 HydrophobicContact CD1-CG 3.71Å; I3-K47 HydrophobicContact CG2-CG 4.43Å
4	V	95.3	Very high	87.8	Confident	23 Å²	23	77.8 Å²	77.8	14%	0.139	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.4	171.6	179.4	0	0	0	0	107.5	P2 Y42 A46 F55	P2-V4 VanDerWaalsContact C-N 3.3Å; P2-V4 VanDerWaalsContact CB-O 3.29Å; P2-V4 WeakPolarHBondContact CB-O 3.35Å; V4-Y42 HydrophobicContact CB-CD1 4.49Å; V4-Y42 HydrophobicContact CG1-CD1 3.82Å; V4-Y42 HydrophobicContact CG1-CE1 3.91Å; V4-Y42 HydrophobicContact CG2-CD1 3.8Å; V4-Y42 HydrophobicContact CG2-CE1 4.26Å; V4-A46 HydrophobicContact CG2-CB 4.17Å; V4-F55 WeakPolarHBondContact CA-O 3.18Å; V4-F55 HydrophobicContact CG2-CB 4.24Å
5	N	94	Very high	87.5	Confident	12 Å²	12	72.8 Å²	72.8	6%	0.064	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.5	-179.9	-63.5	-92.9	0	0	0	108.8	P2 F55 V56 S57	P2-N5 PolarHBondContact O-ND2 2.69Å; P2-N5 VanDerWaalsContact O-ND2 3.08Å; N5-F55 PolarHBondContact N-O 2.7Å; N5-V56 CarbonylContact O-C 3.42Å; N5-V56 WeakPolarHBondContact O-CA 3.15Å; N5-V56 WeakPolarHBondContact O-CG1 3.33Å; N5-S57 PolarHBondContact O-N 3.26Å
6	E	94.7	Very high	86.9	Confident	72 Å²	72	73.2 Å²	73.2	34%	0.336	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.7	171.6	-174.9	176.2	168.1	0	0	109.8	T11 K30 S57	E6-T11 VanDerWaalsContact O-CB 3.24Å; E6-T11 WeakPolarHBondContact O-CB 3.31Å; E6-T11 WeakPolarHBondContact O-CG2 3.36Å; E6-T11 PolarHBondContact O-OG1 3.25Å; E6-K30 IonicContact OE1-NZ 2.69Å; E6-K30 PolarHBondContact OE1-NZ 2.78Å; E6-K30 IonicContact OE2-NZ 3.5Å; E6-S57 CarbonylContact C-O 3.6Å; E6-S57 WeakPolarHBondContact CA-OG 3.28Å
7	F	94.6	Very high	86.3	Confident	22 Å²	22	73.6 Å²	73.6	10%	0.096	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-79.2	117.4	173.1	-171.7	-79.7	0	0	0	110.4	V12 I15 F16 V56 S57 V58 N65 V68	F7-V12 HydrophobicContact CE2-CG2 3.96Å; F7-V12 HydrophobicContact CZ-CB 4.38Å; F7-V12 HydrophobicContact CZ-CG2 3.74Å; F7-I15 HydrophobicContact CB-CD1 4.4Å; F7-I15 HydrophobicContact CD2-CD1 3.93Å; F7-F16 AromaticContact CE2-CE2 3.6Å; F7-F16 HydrophobicContact CE2-CE2 3.6Å; F7-F16 HydrophobicContact CE2-CZ 4Å; F7-F16 HydrophobicContact CZ-CE2 4.25Å; F7-V56 HydrophobicContact CB-CG1 3.75Å; F7-V56 HydrophobicContact CD2-CG1 4.29Å; F7-S57 WeakPolarHBondContact CB-O 3.37Å; F7-S57 PolarHBondContact N-O 3.29Å; F7-V58 HydrophobicContact CB-CG2 3.9Å; F7-V58 HydrophobicContact CG-CG2 4.4Å; F7-N65 VanDerWaalsContact CD1-OD1 3.23Å; F7-N65 WeakPolarHBondContact CD1-OD1 3.46Å; F7-V68 HydrophobicContact CD1-CG2 4.23Å; F7-V68 HydrophobicContact CE1-CG2 3.59Å; F7-V68 HydrophobicContact CZ-CG2 3.76Å
8	N	91.7	Very high	85.8	Confident	46 Å²	46	70.9 Å²	70.9	25%	0.246	38%	0.376	C	S	.	.	S	Bend	trans	-159.6	178.7	172.1	57.7	49.9	0	0	0	109.7	L10 T11 V12	N8-L10 PolarHBondContact O-N 3.08Å; N8-L10 VanDerWaalsContact O-N 3.07Å; N8-L10 WeakPolarHBondContact OD1-CA 3.35Å; N8-L10 WeakPolarHBondContact OD1-CB 3.29Å; N8-L10 PolarHBondContact OD1-N 3.3Å; N8-T11 PolarHBondContact N-OG1 2.98Å; N8-T11 PolarHBondContact O-N 2.95Å; N8-T11 VanDerWaalsContact O-N 3.07Å; N8-T11 PolarHBondContact O-OG1 2.56Å; N8-T11 PolarHBondContact OD1-N 3.26Å; N8-T11 VanDerWaalsContact OD1-N 3.13Å; N8-T11 PolarHBondContact OD1-OG1 3.13Å; N8-V12 WeakPolarHBondContact O-CB 3.45Å; N8-V12 PolarHBondContact O-N 3.07Å
9	Q	85.6	Confident	85.6	Confident	122 Å²	122	77.3 Å²	77.3	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.7	-179.5	-62.1	-66.6	-10.5	0	0	113.9	D64	Q9-D64 WeakPolarHBondContact CG-OD2 3.29Å; Q9-D64 PolarHBondContact NE2-OD2 3.06Å
10	L	87.1	Confident	85.7	Confident	144 Å²	144	76 Å²	76	75%	0.754	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-24.2	-178.5	-56.4	174.6	0	0	0	112.9	N8	N8-L10 PolarHBondContact O-N 3.08Å; N8-L10 VanDerWaalsContact O-N 3.07Å; N8-L10 WeakPolarHBondContact OD1-CA 3.35Å; N8-L10 WeakPolarHBondContact OD1-CB 3.29Å; N8-L10 PolarHBondContact OD1-N 3.3Å
11	T	89.2	Confident	85.8	Confident	24 Å²	24	76.2 Å²	76.2	15%	0.147	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-21.8	-174.5	59.8	0	0	0	0	113.3	E6 N8 H13 K14 I15	E6-T11 VanDerWaalsContact O-CB 3.24Å; E6-T11 WeakPolarHBondContact O-CB 3.31Å; E6-T11 WeakPolarHBondContact O-CG2 3.36Å; E6-T11 PolarHBondContact O-OG1 3.25Å; N8-T11 PolarHBondContact N-OG1 2.98Å; N8-T11 PolarHBondContact O-N 2.95Å; N8-T11 VanDerWaalsContact O-N 3.07Å; N8-T11 PolarHBondContact O-OG1 2.56Å; N8-T11 PolarHBondContact OD1-N 3.26Å; N8-T11 VanDerWaalsContact OD1-N 3.13Å; N8-T11 PolarHBondContact OD1-OG1 3.13Å; T11-H13 VanDerWaalsContact C-N 3.31Å; T11-H13 PolarHBondContact O-N 2.68Å; T11-K14 WeakPolarHBondContact O-CA 3.32Å; T11-K14 WeakPolarHBondContact O-CB 3.3Å; T11-K14 PolarHBondContact O-N 3.12Å; T11-I15 WeakPolarHBondContact O-CG1 3.46Å; T11-I15 PolarHBondContact O-N 3.19Å
12	V	85.3	Confident	87	Confident	27 Å²	27	69.7 Å²	69.7	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-51.7	-46.7	-177.1	66.5	0	0	0	0	112.4	F7 N8 K14 I15 F16	F7-V12 HydrophobicContact CE2-CG2 3.96Å; F7-V12 HydrophobicContact CZ-CB 4.38Å; F7-V12 HydrophobicContact CZ-CG2 3.74Å; N8-V12 WeakPolarHBondContact O-CB 3.45Å; N8-V12 PolarHBondContact O-N 3.07Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.27Å; V12-I15 PolarHBondContact O-N 3.27Å; V12-F16 HydrophobicContact CG2-CD2 3.7Å; V12-F16 HydrophobicContact CG2-CE2 3.73Å; V12-F16 VanDerWaalsContact O-CD2 3.27Å; V12-F16 WeakPolarHBondContact O-CD2 3.44Å; V12-F16 PolarHBondContact O-N 3.31Å
13	H	81.3	Confident	87.5	Confident	147 Å²	147	65.4 Å²	65.4	68%	0.681	34%	0.336	S	S	*	.	H	α-helix	trans	-62.3	-38.1	177.3	-72.9	-69.5	0	0	0	112.1	T11 A17	T11-H13 VanDerWaalsContact C-N 3.31Å; T11-H13 PolarHBondContact O-N 2.68Å; H13-A17 WeakPolarHBondContact O-CA 3.47Å; H13-A17 WeakPolarHBondContact O-CB 3.41Å; H13-A17 PolarHBondContact O-N 3.12Å
14	K	83.1	Confident	87.7	Confident	130 Å²	130	62.1 Å²	62.1	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-71.1	-37	178.6	-62.6	173.2	-177.9	164.6	0	111.6	M1 T11 V12 G18	M1-K14 HydrophobicContact SD-CB 4.29Å; T11-K14 WeakPolarHBondContact O-CA 3.32Å; T11-K14 WeakPolarHBondContact O-CB 3.3Å; T11-K14 PolarHBondContact O-N 3.12Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.27Å; K14-G18 PolarHBondContact O-N 2.87Å
15	I	83.2	Confident	87.8	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-46.4	177.4	-71.3	163.6	0	0	0	110.5	F7 T11 V12 P23 L54 V56	F7-I15 HydrophobicContact CB-CD1 4.4Å; F7-I15 HydrophobicContact CD2-CD1 3.93Å; T11-I15 WeakPolarHBondContact O-CG1 3.46Å; T11-I15 PolarHBondContact O-N 3.19Å; V12-I15 PolarHBondContact O-N 3.27Å; I15-P23 HydrophobicContact CG2-CG 4.42Å; I15-L54 HydrophobicContact CB-CD2 4.04Å; I15-L54 HydrophobicContact CG1-CD2 3.95Å; I15-L54 HydrophobicContact CG2-CD2 3.89Å; I15-V56 HydrophobicContact CD1-CG1 3.77Å; I15-V56 HydrophobicContact CD1-CG2 4.09Å; I15-V56 HydrophobicContact CG1-CG2 4.12Å; I15-V56 HydrophobicContact CG2-CG2 4.18Å
16	F	78.1	Confident	88	Confident	79 Å²	79	60.7 Å²	60.7	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-95.5	-25	-173.3	-64.8	-65.7	0	0	0	115.2	F7 V12 G18 K21 I87	F7-F16 AromaticContact CE2-CE2 3.6Å; F7-F16 HydrophobicContact CE2-CE2 3.6Å; F7-F16 HydrophobicContact CE2-CZ 4Å; F7-F16 HydrophobicContact CZ-CE2 4.25Å; V12-F16 HydrophobicContact CG2-CD2 3.7Å; V12-F16 HydrophobicContact CG2-CE2 3.73Å; V12-F16 VanDerWaalsContact O-CD2 3.27Å; V12-F16 WeakPolarHBondContact O-CD2 3.44Å; V12-F16 PolarHBondContact O-N 3.31Å; F16-G18 VanDerWaalsContact C-N 3.34Å; F16-K21 PolarHBondContact O-NZ 3.07Å; F16-I87 HydrophobicContact CD1-CD1 3.61Å; F16-I87 HydrophobicContact CE1-CD1 3.93Å
17	A	76.9	Confident	88.2	Confident	81 Å²	81	57.2 Å²	57.2	67%	0.669	29%	0.294	S	S	*	.	H	α-helix	trans	-82.5	-11.4	175.7	0	0	0	0	0	113.3	H13	H13-A17 WeakPolarHBondContact O-CA 3.47Å; H13-A17 WeakPolarHBondContact O-CB 3.41Å; H13-A17 PolarHBondContact O-N 3.12Å
18	G	77	Confident	88.3	Confident	24 Å²	24	56.4 Å²	56.4	25%	0.247	29%	0.291	C	S	.	.	S	Bend	trans	-64.9	165.2	-179.6	0	0	0	0	0	114.4	K14 F16 I20 K21	K14-G18 PolarHBondContact O-N 2.87Å; F16-G18 VanDerWaalsContact C-N 3.34Å; G18-I20 VanDerWaalsContact C-N 3.33Å; G18-K21 WeakPolarHBondContact O-CE 3.48Å; G18-K21 PolarHBondContact O-NZ 2.94Å
19	H	82	Confident	88.5	Confident	193 Å²	193	55.2 Å²	55.2	89%	0.894	29%	0.286	S	S	*	.	S	Bend	trans	-71.8	-27	174.9	-60.1	-66.5	0	0	0	113	K21	H19-K21 PolarHBondContact O-N 3.4Å
20	I	87.4	Confident	88.9	Confident	51 Å²	51	54.5 Å²	54.5	26%	0.262	28%	0.281	S	S	.	.			trans	-80.9	112.4	175.6	-59.7	176.9	0	0	0	108	G18 T22 L54	G18-I20 VanDerWaalsContact C-N 3.33Å; I20-T22 VanDerWaalsContact C-N 3.34Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.29Å; I20-L54 HydrophobicContact CG2-CB 4.15Å
21	K	89.5	Confident	89.3	Confident	80 Å²	80	51.6 Å²	51.6	35%	0.348	28%	0.278	S	S	.	.			trans	-94.8	14	-176.6	-67.2	-48.8	-172.4	-162.8	0	114.1	F16 G18 H19 P23 I87	F16-K21 PolarHBondContact O-NZ 3.07Å; G18-K21 WeakPolarHBondContact O-CE 3.48Å; G18-K21 PolarHBondContact O-NZ 2.94Å; H19-K21 PolarHBondContact O-N 3.4Å; K21-P23 WeakPolarHBondContact O-CD 3.39Å; K21-I87 HydrophobicContact CB-CB 4.11Å; K21-I87 WeakPolarHBondContact CB-O 3.39Å; K21-I87 HydrophobicContact CD-CB 4.28Å; K21-I87 HydrophobicContact CD-CG2 4.36Å; K21-I87 WeakPolarHBondContact CG-O 3.25Å; K21-I87 WeakPolarHBondContact O-CB 3.49Å; K21-I87 WeakPolarHBondContact O-CG1 3.48Å; K21-I87 PolarHBondContact O-N 2.98Å
22	T	93.5	Very high	89.6	Confident	24 Å²	24	51.6 Å²	51.6	15%	0.147	28%	0.28	C	S	.	.			trans	-127.1	64.6	-171.1	51.1	0	0	0	0	112	I20 M24 K52 L54 I85 F113	I20-T22 VanDerWaalsContact C-N 3.34Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.29Å; T22-M24 PolarHBondContact O-N 2.92Å; T22-K52 PolarHBondContact OG1-O 2.96Å; T22-L54 PolarHBondContact O-N 3.01Å; T22-I85 WeakPolarHBondContact CA-O 3.43Å; T22-F113 HydrophobicContact CG2-CE1 3.53Å; T22-F113 HydrophobicContact CG2-CZ 3.69Å
23	P	95	Very high	90.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.2	171.6	6.6	-2.2	0	0	0	111.7	I15 K21 L25 L54 V56 I85 I87	I15-P23 HydrophobicContact CG2-CG 4.42Å; K21-P23 WeakPolarHBondContact O-CD 3.39Å; P23-L25 HydrophobicContact CB-CD1 4.28Å; P23-L54 CarbonylContact C-O 3.58Å; P23-L54 VanDerWaalsContact CA-O 3.3Å; P23-L54 WeakPolarHBondContact CA-O 3.42Å; P23-L54 HydrophobicContact CB-CB 4.39Å; P23-V56 HydrophobicContact CB-CG2 4.16Å; P23-I85 HydrophobicContact CB-CG2 4.1Å; P23-I85 VanDerWaalsContact CD-O 3.31Å; P23-I85 WeakPolarHBondContact CD-O 3.25Å; P23-I85 HydrophobicContact CG-CG2 3.48Å; P23-I85 VanDerWaalsContact CG-CG2 3.48Å; P23-I85 PolarHBondContact O-N 3.34Å; P23-I87 HydrophobicContact CG-CD1 3.65Å
24	M	97.3	Very high	90.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.4	157.9	-169.7	175.1	-169.2	0	0	107.2	T22 Y42 M53 L54 F55 V56 C82 R83 I84 L106 F109 A110	T22-M24 PolarHBondContact O-N 2.92Å; M24-Y42 WeakPolarHBondContact CB-OH 3.24Å; M24-Y42 HydrophobicContact CE-CE2 4.37Å; M24-Y42 HydrophobicContact CG-CE2 4.15Å; M24-Y42 WeakPolarHBondContact CG-OH 3.42Å; M24-Y42 PolarHBondContact O-OH 3.24Å; M24-Y42 HydrophobicContact SD-CE2 4.04Å; M24-M53 HydrophobicContact CB-CE 4.14Å; M24-L54 PolarHBondContact N-O 3.29Å; M24-F55 HydrophobicContact SD-CD1 4.17Å; M24-F55 HydrophobicContact SD-CE1 3.5Å; M24-F55 WeakPolarHBondContact SD-CE1 3.33Å; M24-F55 HydrophobicContact SD-CZ 3.79Å; M24-V56 PolarHBondContact O-N 3.19Å; M24-C82 WeakPolarHBondContact CE-SG 3.23Å; M24-R83 CarbonylContact C-O 3.48Å; M24-R83 WeakPolarHBondContact CA-O 3.28Å; M24-I84 HydrophobicContact CB-CG1 3.99Å; M24-I84 HydrophobicContact CG-CG1 3.77Å; M24-I84 HydrophobicContact SD-CG1 4.48Å; M24-L106 HydrophobicContact CE-CB 4.45Å; M24-L106 HydrophobicContact CE-CD2 3.72Å; M24-F109 HydrophobicContact CE-CD1 3.42Å; M24-F109 VanDerWaalsContact CE-CD1 3.42Å; M24-F109 HydrophobicContact CE-CE1 4.05Å; M24-F109 HydrophobicContact CE-CG 4.36Å; M24-A110 HydrophobicContact SD-CB 4.26Å
25	L	97.5	Very high	91.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.6	-179.5	-58.8	93.6	0	0	0	109.3	P23 F27 V56 V58 V68 F72 C82 R83 I85	P23-L25 HydrophobicContact CB-CD1 4.28Å; L25-F27 HydrophobicContact CB-CD2 4.37Å; L25-F27 HydrophobicContact CB-CE2 3.66Å; L25-F27 HydrophobicContact CB-CZ 4.12Å; L25-F27 HydrophobicContact CD2-CZ 4.23Å; L25-V56 CarbonylContact C-O 3.51Å; L25-V56 VanDerWaalsContact CA-O 3.28Å; L25-V56 WeakPolarHBondContact CA-O 3.4Å; L25-V56 HydrophobicContact CG-CB 4.34Å; L25-V58 HydrophobicContact CB-CG2 4.24Å; L25-V58 HydrophobicContact CD2-CG2 3.79Å; L25-V68 HydrophobicContact CD2-CG1 4.35Å; L25-F72 HydrophobicContact CD1-CE2 4.15Å; L25-F72 HydrophobicContact CD1-CZ 3.65Å; L25-F72 HydrophobicContact CD2-CE2 4.01Å; L25-F72 HydrophobicContact CD2-CZ 4.34Å; L25-C82 CarbonylContact O-C 3.57Å; L25-C82 VanDerWaalsContact O-CA 3.24Å; L25-C82 WeakPolarHBondContact O-CA 3.35Å; L25-C82 PolarHBondContact O-SG 2.96Å; L25-R83 PolarHBondContact N-O 3.15Å; L25-R83 PolarHBondContact O-N 3.14Å; L25-I85 HydrophobicContact CD1-CG2 3.91Å
26	L	98.2	Very high	92.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.4	169.3	177	68.4	0	0	0	108.6	I28 I39 Y42 V56 S57 V58 I101	L26-I28 HydrophobicContact CD1-CG2 4.46Å; L26-I28 HydrophobicContact CD2-CG2 4.16Å; L26-I28 HydrophobicContact CG-CG2 3.99Å; L26-I39 HydrophobicContact CD2-CD1 4.18Å; L26-Y42 HydrophobicContact CB-CD1 4.04Å; L26-Y42 HydrophobicContact CB-CD2 4.04Å; L26-Y42 HydrophobicContact CB-CE1 3.83Å; L26-Y42 HydrophobicContact CB-CE2 3.86Å; L26-Y42 HydrophobicContact CB-CG 4.16Å; L26-Y42 HydrophobicContact CD2-CD1 3.92Å; L26-Y42 HydrophobicContact CD2-CD2 4.01Å; L26-Y42 HydrophobicContact CD2-CG 3.63Å; L26-Y42 HydrophobicContact CG-CD2 4.48Å; L26-Y42 HydrophobicContact CG-CG 4.47Å; L26-V56 PolarHBondContact N-O 2.92Å; L26-S57 CarbonylContact O-C 3.59Å; L26-S57 WeakPolarHBondContact O-CA 3.4Å; L26-V58 PolarHBondContact O-N 3.11Å; L26-I101 HydrophobicContact CD1-CD1 3.83Å; L26-I101 HydrophobicContact CD1-CG2 4.27Å
27	F	97.9	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.5	174.3	-62.3	-97.8	0	0	0	108.7	L25 V58 I60 V68 L69 F72 M74 V79 P80 A81 R83	L25-F27 HydrophobicContact CB-CD2 4.37Å; L25-F27 HydrophobicContact CB-CE2 3.66Å; L25-F27 HydrophobicContact CB-CZ 4.12Å; L25-F27 HydrophobicContact CD2-CZ 4.23Å; F27-V58 WeakPolarHBondContact CA-O 3.24Å; F27-V58 HydrophobicContact CD1-CB 3.74Å; F27-V58 HydrophobicContact CD1-CG1 3.83Å; F27-V58 HydrophobicContact CD1-CG2 4.25Å; F27-V58 HydrophobicContact CE1-CB 3.91Å; F27-V58 HydrophobicContact CE1-CG1 3.82Å; F27-V58 HydrophobicContact CE1-CG2 4Å; F27-V58 HydrophobicContact CG-CB 4.29Å; F27-V58 HydrophobicContact CZ-CG2 4.22Å; F27-I60 HydrophobicContact CB-CG2 4.33Å; F27-I60 HydrophobicContact CD1-CG2 4.29Å; F27-V68 HydrophobicContact CE1-CB 4.25Å; F27-V68 HydrophobicContact CE1-CG1 3.72Å; F27-V68 HydrophobicContact CZ-CG1 3.85Å; F27-L69 HydrophobicContact CD1-CD2 3.52Å; F27-L69 HydrophobicContact CD1-CG 4.17Å; F27-L69 HydrophobicContact CE1-CD2 3.99Å; F27-L69 HydrophobicContact CE1-CG 4.41Å; F27-L69 HydrophobicContact CG-CD2 4.15Å; F27-F72 HydrophobicContact CE1-CD2 4.38Å; F27-F72 HydrophobicContact CE2-CD2 4.1Å; F27-F72 HydrophobicContact CE2-CE2 4.37Å; F27-F72 AromaticContact CZ-CD2 3.45Å; F27-F72 HydrophobicContact CZ-CD2 3.45Å; F27-F72 VanDerWaalsContact CZ-CD2 3.45Å; F27-F72 AromaticContact CZ-CE2 3.77Å; F27-F72 HydrophobicContact CZ-CE2 3.77Å; F27-F72 HydrophobicContact CZ-CG 4.26Å; F27-M74 HydrophobicContact CD1-CE 3.96Å; F27-M74 HydrophobicContact CD2-CE 3.4Å; F27-M74 HydrophobicContact CE1-CE 3.9Å; F27-M74 HydrophobicContact CE2-CE 3.36Å; F27-M74 HydrophobicContact CG-CE 3.72Å; F27-M74 HydrophobicContact CZ-CE 3.63Å; F27-V79 HydrophobicContact CB-CG1 4.27Å; F27-V79 HydrophobicContact CB-CG2 4.15Å; F27-P80 VanDerWaalsContact O-CA 3.28Å; F27-P80 WeakPolarHBondContact O-CA 3.41Å; F27-A81 HydrophobicContact CB-CB 4.45Å; F27-A81 PolarHBondContact N-O 3.34Å; F27-A81 PolarHBondContact O-N 3.37Å; F27-A81 VanDerWaalsContact O-N 3.1Å; F27-R83 HydrophobicContact CE2-CB 4.31Å; F27-R83 HydrophobicContact CE2-CG 4.24Å
28	I	97.5	Very high	94	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.8	-179	46.9	158.1	0	0	0	109.6	L26 T35 L38 I39 V58 D59 I60 P80	L26-I28 HydrophobicContact CD1-CG2 4.46Å; L26-I28 HydrophobicContact CD2-CG2 4.16Å; L26-I28 HydrophobicContact CG-CG2 3.99Å; I28-T35 HydrophobicContact CD1-CG2 3.65Å; I28-L38 HydrophobicContact CG2-CD1 4Å; I28-I39 HydrophobicContact CD1-CD1 3.75Å; I28-I39 HydrophobicContact CD1-CG1 3.93Å; I28-V58 PolarHBondContact N-O 2.78Å; I28-D59 CarbonylContact O-C 3.47Å; I28-D59 WeakPolarHBondContact O-CA 3.27Å; I28-I60 WeakPolarHBondContact O-CG1 3.28Å; I28-I60 PolarHBondContact O-N 3.37Å; I28-P80 HydrophobicContact CG2-CB 4.34Å
29	S	96.4	Very high	95	Very high	21 Å²	21	52.5 Å²	52.5	15%	0.147	29%	0.293	C	S	.	.			trans	-101.2	122.4	162.7	164.5	0	0	0	0	108.3	A31 A32 T35 E61	S29-A31 PolarHBondContact O-N 3.33Å; S29-A31 VanDerWaalsContact O-N 3.12Å; S29-A31 PolarHBondContact OG-N 3.3Å; S29-A32 VanDerWaalsContact O-CB 3.32Å; S29-A32 WeakPolarHBondContact O-CB 3.3Å; S29-A32 PolarHBondContact O-N 3.44Å; S29-T35 PolarHBondContact O-OG1 2.76Å; S29-E61 VanDerWaalsContact CB-OE1 3.3Å; S29-E61 WeakPolarHBondContact CB-OE1 3.45Å; S29-E61 WeakPolarHBondContact OG-CG 3.44Å; S29-E61 PolarHBondContact OG-OE1 3.34Å
30	K	94.4	Very high	95.7	Very high	107 Å²	107	45.6 Å²	45.6	47%	0.465	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.1	176.6	-80.2	-174.3	-166.9	159.1	0	114.1	E6 A32 D59	E6-K30 IonicContact OE1-NZ 2.69Å; E6-K30 PolarHBondContact OE1-NZ 2.78Å; E6-K30 IonicContact OE2-NZ 3.5Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-D59 HydrophobicContact CD-CB 4.41Å; K30-D59 WeakPolarHBondContact CD-OD2 3.31Å; K30-D59 WeakPolarHBondContact CE-OD2 3.37Å; K30-D59 HydrophobicContact CG-CB 4.26Å; K30-D59 WeakPolarHBondContact CG-OD2 3.23Å; K30-D59 PolarHBondContact N-OD1 3.45Å; K30-D59 VanDerWaalsContact N-OD1 3.12Å; K30-D59 IonicContact NZ-OD2 3.54Å
31	A	93.9	Very high	96.2	Very high	83 Å²	83	44 Å²	44	69%	0.686	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-16	175.6	0	0	0	0	0	113	S29	S29-A31 PolarHBondContact O-N 3.33Å; S29-A31 VanDerWaalsContact O-N 3.12Å; S29-A31 PolarHBondContact OG-N 3.3Å
32	A	96	Very high	96.7	Very high	24 Å²	24	40.1 Å²	40.1	20%	0.198	25%	0.247	C	C	.	.	S	Bend	trans	-73.4	135.3	-178.1	0	0	0	0	0	111.9	S29 K30 E34 T35	S29-A32 VanDerWaalsContact O-CB 3.32Å; S29-A32 WeakPolarHBondContact O-CB 3.3Å; S29-A32 PolarHBondContact O-N 3.44Å; K30-A32 VanDerWaalsContact C-N 3.31Å; A32-E34 VanDerWaalsContact C-N 3.26Å; A32-E34 PolarHBondContact O-N 3.44Å; A32-T35 VanDerWaalsContact O-CB 3.31Å; A32-T35 WeakPolarHBondContact O-CB 3.24Å; A32-T35 PolarHBondContact O-N 2.77Å; A32-T35 PolarHBondContact O-OG1 2.84Å
33	P	96	Very high	96.9	Very high	127 Å²	127	40.8 Å²	40.8	83%	0.825	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.6	-175.3	25.8	-34.4	0	0	0	113.8	T35	P33-T35 VanDerWaalsContact C-N 3.32Å
34	E	95.6	Very high	97	Very high	84 Å²	84	46.1 Å²	46.1	39%	0.393	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.1	179.3	65.3	-91	-148.6	0	0	114.3	A32 D36 S37 L38	A32-E34 VanDerWaalsContact C-N 3.26Å; A32-E34 PolarHBondContact O-N 3.44Å; E34-D36 PolarHBondContact O-N 2.91Å; E34-S37 WeakPolarHBondContact O-CB 3.11Å; E34-S37 PolarHBondContact O-N 2.85Å; E34-S37 VanDerWaalsContact O-N 3.07Å; E34-L38 HydrophobicContact CB-CD1 4.44Å; E34-L38 HydrophobicContact CG-CD1 3.67Å; E34-L38 HydrophobicContact CG-CG 4.24Å; E34-L38 WeakPolarHBondContact O-CG 3.4Å; E34-L38 PolarHBondContact O-N 3.02Å
35	T	97	Very high	97.1	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-44.4	-170.7	-79	0	0	0	0	113.5	I28 S29 A32 P33 S37 L38 I39	I28-T35 HydrophobicContact CD1-CG2 3.65Å; S29-T35 PolarHBondContact O-OG1 2.76Å; A32-T35 VanDerWaalsContact O-CB 3.31Å; A32-T35 WeakPolarHBondContact O-CB 3.24Å; A32-T35 PolarHBondContact O-N 2.77Å; A32-T35 PolarHBondContact O-OG1 2.84Å; P33-T35 VanDerWaalsContact C-N 3.32Å; T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.48Å; T35-L38 PolarHBondContact O-N 3.35Å; T35-I39 HydrophobicContact CG2-CG1 4.32Å; T35-I39 WeakPolarHBondContact O-CB 3.48Å; T35-I39 WeakPolarHBondContact O-CG1 3.44Å; T35-I39 PolarHBondContact O-N 2.9Å
36	D	96.9	Very high	97.1	Very high	138 Å²	138	46 Å²	46	74%	0.738	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-39.9	179.7	-74.4	-18.1	0	0	0	112.1	E34 A40	E34-D36 PolarHBondContact O-N 2.91Å; D36-A40 VanDerWaalsContact O-CB 3.29Å; D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 3.48Å
37	S	97.3	Very high	97	Very high	88 Å²	88	52.2 Å²	52.2	62%	0.615	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-43.6	177	-174.4	0	0	0	0	111.2	E34 T35 A40 A41	E34-S37 WeakPolarHBondContact O-CB 3.11Å; E34-S37 PolarHBondContact O-N 2.85Å; E34-S37 VanDerWaalsContact O-N 3.07Å; T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.48Å; S37-A40 PolarHBondContact O-N 3.46Å; S37-A41 WeakPolarHBondContact O-CB 3.42Å; S37-A41 PolarHBondContact O-N 3.14Å
38	L	98	Very high	97	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.089	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-47.1	176.7	-68	175.1	0	0	0	111.6	I28 E34 T35 A40 A41 Y42 P80 I101	I28-L38 HydrophobicContact CG2-CD1 4Å; E34-L38 HydrophobicContact CB-CD1 4.44Å; E34-L38 HydrophobicContact CG-CD1 3.67Å; E34-L38 HydrophobicContact CG-CG 4.24Å; E34-L38 WeakPolarHBondContact O-CG 3.4Å; E34-L38 PolarHBondContact O-N 3.02Å; T35-L38 PolarHBondContact O-N 3.35Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.07Å; L38-A41 PolarHBondContact O-N 3.08Å; L38-Y42 VanDerWaalsContact O-CB 3.24Å; L38-Y42 WeakPolarHBondContact O-CB 3.35Å; L38-Y42 PolarHBondContact O-N 3.22Å; L38-P80 HydrophobicContact CD1-CB 3.64Å; L38-P80 HydrophobicContact CD1-CG 3.84Å; L38-I101 HydrophobicContact CD2-CB 3.73Å; L38-I101 HydrophobicContact CD2-CG2 3.74Å
39	I	97.7	Very high	97	Very high	44 Å²	44	57.7 Å²	57.7	23%	0.226	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-38.1	177.4	-70.4	-68.1	0	0	0	111.3	L26 I28 T35 Y42 T43	L26-I39 HydrophobicContact CD2-CD1 4.18Å; I28-I39 HydrophobicContact CD1-CD1 3.75Å; I28-I39 HydrophobicContact CD1-CG1 3.93Å; T35-I39 HydrophobicContact CG2-CG1 4.32Å; T35-I39 WeakPolarHBondContact O-CB 3.48Å; T35-I39 WeakPolarHBondContact O-CG1 3.44Å; T35-I39 PolarHBondContact O-N 2.9Å; I39-Y42 PolarHBondContact O-N 3Å; I39-T43 VanDerWaalsContact O-CB 3.3Å; I39-T43 WeakPolarHBondContact O-CB 3.41Å; I39-T43 PolarHBondContact O-N 2.54Å; I39-T43 PolarHBondContact O-OG1 2.88Å
40	A	97.6	Very high	96.9	Very high	48 Å²	48	64.6 Å²	64.6	40%	0.397	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-47.9	175.2	0	0	0	0	0	111.7	D36 S37 L38 Y42 T43 K44	D36-A40 VanDerWaalsContact O-CB 3.29Å; D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 3.48Å; S37-A40 PolarHBondContact O-N 3.46Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.07Å; A40-Y42 VanDerWaalsContact C-N 3.34Å; A40-Y42 PolarHBondContact O-N 2.91Å; A40-T43 PolarHBondContact O-N 3.5Å; A40-K44 WeakPolarHBondContact O-CG 3.44Å; A40-K44 PolarHBondContact O-N 3.17Å
41	A	97.9	Very high	96.7	Very high	17 Å²	17	62.3 Å²	62.3	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-42.9	175.8	0	0	0	0	0	111.8	S37 L38 K44 A45	S37-A41 WeakPolarHBondContact O-CB 3.42Å; S37-A41 PolarHBondContact O-N 3.14Å; L38-A41 PolarHBondContact O-N 3.08Å; A41-K44 PolarHBondContact O-N 3.21Å; A41-A45 PolarHBondContact O-N 3.18Å
42	Y	98.2	Very high	96.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-41.7	177.3	-164.2	-118.7	0	0	0	112.5	V4 M24 L26 L38 I39 A40 K44 A45 A46 F55 V56 L106	V4-Y42 HydrophobicContact CB-CD1 4.49Å; V4-Y42 HydrophobicContact CG1-CD1 3.82Å; V4-Y42 HydrophobicContact CG1-CE1 3.91Å; V4-Y42 HydrophobicContact CG2-CD1 3.8Å; V4-Y42 HydrophobicContact CG2-CE1 4.26Å; M24-Y42 WeakPolarHBondContact CB-OH 3.24Å; M24-Y42 HydrophobicContact CE-CE2 4.37Å; M24-Y42 HydrophobicContact CG-CE2 4.15Å; M24-Y42 WeakPolarHBondContact CG-OH 3.42Å; M24-Y42 PolarHBondContact O-OH 3.24Å; M24-Y42 HydrophobicContact SD-CE2 4.04Å; L26-Y42 HydrophobicContact CB-CD1 4.04Å; L26-Y42 HydrophobicContact CB-CD2 4.04Å; L26-Y42 HydrophobicContact CB-CE1 3.83Å; L26-Y42 HydrophobicContact CB-CE2 3.86Å; L26-Y42 HydrophobicContact CB-CG 4.16Å; L26-Y42 HydrophobicContact CD2-CD1 3.92Å; L26-Y42 HydrophobicContact CD2-CD2 4.01Å; L26-Y42 HydrophobicContact CD2-CG 3.63Å; L26-Y42 HydrophobicContact CG-CD2 4.48Å; L26-Y42 HydrophobicContact CG-CG 4.47Å; L38-Y42 VanDerWaalsContact O-CB 3.24Å; L38-Y42 WeakPolarHBondContact O-CB 3.35Å; L38-Y42 PolarHBondContact O-N 3.22Å; I39-Y42 PolarHBondContact O-N 3Å; A40-Y42 VanDerWaalsContact C-N 3.34Å; A40-Y42 PolarHBondContact O-N 2.91Å; Y42-K44 PolarHBondContact O-N 2.85Å; Y42-A45 PolarHBondContact O-N 2.89Å; Y42-A46 VanDerWaalsContact O-CB 3.27Å; Y42-A46 WeakPolarHBondContact O-CB 3.38Å; Y42-A46 PolarHBondContact O-N 3.36Å; Y42-F55 HydrophobicContact CD1-CD1 4.25Å; Y42-F55 HydrophobicContact CD2-CD1 4.05Å; Y42-F55 HydrophobicContact CD2-CE1 4.42Å; Y42-F55 HydrophobicContact CE1-CB 3.73Å; Y42-F55 AromaticContact CE1-CD1 3.75Å; Y42-F55 HydrophobicContact CE1-CD1 3.75Å; Y42-F55 HydrophobicContact CE1-CG 4.23Å; Y42-F55 AromaticContact CE2-CD1 3.5Å; Y42-F55 HydrophobicContact CE2-CD1 3.5Å; Y42-F55 AromaticContact CE2-CE1 3.93Å; Y42-F55 HydrophobicContact CE2-CE1 3.93Å; Y42-F55 HydrophobicContact CG-CD1 4.37Å; Y42-F55 AromaticContact CZ-CD1 3.32Å; Y42-F55 WeakPolarHBondContact OH-CD1 3.14Å; Y42-V56 PolarHBondContact OH-N 2.9Å; Y42-L106 HydrophobicContact CD2-CD1 3.79Å; Y42-L106 HydrophobicContact CD2-CD2 3.84Å; Y42-L106 HydrophobicContact CD2-CG 4.38Å; Y42-L106 HydrophobicContact CE2-CD2 4.1Å
43	T	98.2	Very high	96.7	Very high	37 Å²	37	63.6 Å²	63.6	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-38.2	175.7	-59.8	0	0	0	0	112.1	I3 I39 A40 A46 K47	I3-T43 HydrophobicContact CG2-CG2 4.41Å; I39-T43 VanDerWaalsContact O-CB 3.3Å; I39-T43 WeakPolarHBondContact O-CB 3.41Å; I39-T43 PolarHBondContact O-N 2.54Å; I39-T43 PolarHBondContact O-OG1 2.88Å; A40-T43 PolarHBondContact O-N 3.5Å; T43-A46 PolarHBondContact O-N 3.25Å; T43-K47 WeakPolarHBondContact O-CG 3.44Å; T43-K47 PolarHBondContact O-N 3.22Å; T43-K47 VanDerWaalsContact O-N 3.14Å
44	K	98.1	Very high	96.7	Very high	114 Å²	114	58.3 Å²	58.3	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-43.4	174.9	-71.3	179.4	-172.2	177.6	0	111.8	A40 A41 Y42 E103	A40-K44 WeakPolarHBondContact O-CG 3.44Å; A40-K44 PolarHBondContact O-N 3.17Å; A41-K44 PolarHBondContact O-N 3.21Å; Y42-K44 PolarHBondContact O-N 2.85Å; K44-E103 HydrophobicContact CB-CG 3.81Å; K44-E103 WeakPolarHBondContact CB-OE2 3.43Å; K44-E103 WeakPolarHBondContact CD-OE2 3.39Å
45	A	98.1	Very high	96.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-49.5	173.5	0	0	0	0	0	110.8	A41 Y42 K47 K48 F49 F55 E103 L106	A41-A45 PolarHBondContact O-N 3.18Å; Y42-A45 PolarHBondContact O-N 2.89Å; A45-K47 VanDerWaalsContact C-N 3.26Å; A45-K47 PolarHBondContact O-N 2.91Å; A45-K47 VanDerWaalsContact O-N 3.17Å; A45-K48 WeakPolarHBondContact O-CB 2.96Å; A45-K48 PolarHBondContact O-N 2.89Å; A45-F49 VanDerWaalsContact O-CD2 3.29Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A45-F55 HydrophobicContact CB-CE1 4.37Å; A45-E103 HydrophobicContact CB-CG 4.49Å; A45-L106 HydrophobicContact CB-CB 3.81Å
46	A	97.9	Very high	96.7	Very high	2 Å²	2	54 Å²	54	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-38.2	-179.3	0	0	0	0	0	113.7	I3 V4 Y42 T43 K48 F49 K50 F55	I3-A46 HydrophobicContact CG2-CB 3.38Å; V4-A46 HydrophobicContact CG2-CB 4.17Å; Y42-A46 VanDerWaalsContact O-CB 3.27Å; Y42-A46 WeakPolarHBondContact O-CB 3.38Å; Y42-A46 PolarHBondContact O-N 3.36Å; T43-A46 PolarHBondContact O-N 3.25Å; A46-K48 PolarHBondContact O-N 3.4Å; A46-F49 CarbonylContact O-C 3.57Å; A46-F49 PolarHBondContact O-N 2.66Å; A46-F49 VanDerWaalsContact O-N 3.08Å; A46-K50 PolarHBondContact O-N 3.03Å; A46-F55 HydrophobicContact CB-CB 3.76Å; A46-F55 HydrophobicContact CB-CD1 3.42Å; A46-F55 VanDerWaalsContact CB-CD1 3.42Å; A46-F55 HydrophobicContact CB-CD2 3.78Å; A46-F55 HydrophobicContact CB-CE1 3.94Å; A46-F55 HydrophobicContact CB-CE2 4.26Å; A46-F55 HydrophobicContact CB-CG 3.35Å; A46-F55 HydrophobicContact CB-CZ 4.35Å
47	K	97.6	Very high	96.7	Very high	130 Å²	130	48.1 Å²	48.1	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-55.5	-34.5	176.3	-78.7	171.2	-178.9	-178.6	0	113	I3 T43 A45 F49	I3-K47 HydrophobicContact CD1-CD 4.47Å; I3-K47 HydrophobicContact CD1-CG 3.71Å; I3-K47 HydrophobicContact CG2-CG 4.43Å; T43-K47 WeakPolarHBondContact O-CG 3.44Å; T43-K47 PolarHBondContact O-N 3.22Å; T43-K47 VanDerWaalsContact O-N 3.14Å; A45-K47 VanDerWaalsContact C-N 3.26Å; A45-K47 PolarHBondContact O-N 2.91Å; A45-K47 VanDerWaalsContact O-N 3.17Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å
48	K	97.3	Very high	96.7	Very high	112 Å²	112	43.9 Å²	43.9	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-73.3	-23.7	-179.2	-57	176.6	-172.8	168.3	0	112.9	A45 A46 E103 S107	A45-K48 WeakPolarHBondContact O-CB 2.96Å; A45-K48 PolarHBondContact O-N 2.89Å; A46-K48 PolarHBondContact O-N 3.4Å; K48-E103 VanDerWaalsContact CE-OE1 3.24Å; K48-E103 WeakPolarHBondContact CE-OE1 3.46Å; K48-E103 IonicContact NZ-OE1 3.98Å; K48-E103 PolarHBondContact NZ-OE1 2.8Å; K48-S107 PolarHBondContact NZ-OG 3.08Å
49	F	96.9	Very high	96.7	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	14.9	-174.4	-60	-81.4	0	0	0	113	A45 A46 K47 G51 K52 M53 F55 S107 A110 Q111 L114	A45-F49 VanDerWaalsContact O-CD2 3.29Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A46-F49 CarbonylContact O-C 3.57Å; A46-F49 PolarHBondContact O-N 2.66Å; A46-F49 VanDerWaalsContact O-N 3.08Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å; F49-G51 PolarHBondContact O-N 2.97Å; F49-K52 PolarHBondContact O-N 3.1Å; F49-M53 PolarHBondContact O-N 2.68Å; F49-F55 HydrophobicContact CB-CE2 3.71Å; F49-F55 HydrophobicContact CB-CZ 4.08Å; F49-F55 HydrophobicContact CD2-CE2 4.42Å; F49-F55 AromaticContact CD2-CZ 3.92Å; F49-F55 HydrophobicContact CD2-CZ 3.92Å; F49-F55 HydrophobicContact CG-CE2 4.39Å; F49-F55 HydrophobicContact CG-CZ 4.29Å; F49-S107 VanDerWaalsContact CZ-O 3.25Å; F49-S107 WeakPolarHBondContact CZ-O 3.06Å; F49-A110 HydrophobicContact CD1-CB 4.18Å; F49-A110 HydrophobicContact CD2-CB 3.92Å; F49-A110 HydrophobicContact CE1-CB 3.97Å; F49-A110 HydrophobicContact CE2-CB 3.75Å; F49-A110 HydrophobicContact CG-CB 4.16Å; F49-A110 HydrophobicContact CZ-CB 3.76Å; F49-Q111 HydrophobicContact CE1-CB 4.21Å; F49-Q111 HydrophobicContact CZ-CB 4.15Å; F49-L114 HydrophobicContact CD1-CD1 3.61Å; F49-L114 HydrophobicContact CE1-CD1 3.98Å
50	K	93.7	Very high	96.6	Very high	167 Å²	167	42.5 Å²	42.5	73%	0.726	22%	0.221	S	C	*	.	B	Isolated β-bridge	trans	-53.3	125.5	178.7	-173.9	-179.3	179.1	-175.7	0	110.5	A46 K52	A46-K50 PolarHBondContact O-N 3.03Å; K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 2.79Å
51	G	91.8	Very high	96.4	Very high	59 Å²	59	45.7 Å²	45.7	61%	0.608	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-12	-179.5	0	0	0	0	0	115	F49	F49-G51 PolarHBondContact O-N 2.97Å
52	K	94	Very high	96.1	Very high	128 Å²	128	47 Å²	47	56%	0.557	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-37.8	176.2	-59.5	-176	-179.5	-178.8	0	112.5	T22 F49 K50 L114	T22-K52 PolarHBondContact OG1-O 2.96Å; F49-K52 PolarHBondContact O-N 3.1Å; K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 2.79Å; K52-L114 HydrophobicContact CB-CD1 4.13Å; K52-L114 HydrophobicContact CD-CD1 4.06Å
53	M	95.1	Very high	95.6	Very high	6 Å²	6	53 Å²	53	3%	0.03	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-137.2	155.8	-179.5	-66.9	-177	74.7	0	0	110.1	M24 F49 F55 I84 A110 F113 L114	M24-M53 HydrophobicContact CB-CE 4.14Å; F49-M53 PolarHBondContact O-N 2.68Å; M53-F55 HydrophobicContact CB-CD2 4.4Å; M53-F55 HydrophobicContact CB-CE2 3.89Å; M53-I84 HydrophobicContact CE-CD1 3.79Å; M53-I84 HydrophobicContact CE-CG1 3.95Å; M53-I84 HydrophobicContact CE-CG2 4.04Å; M53-A110 HydrophobicContact SD-CB 3.88Å; M53-F113 HydrophobicContact CE-CD1 3.66Å; M53-F113 HydrophobicContact CE-CE1 4.09Å; M53-F113 HydrophobicContact CE-CG 4.43Å; M53-F113 HydrophobicContact SD-CD1 4Å; M53-L114 HydrophobicContact CG-CD1 4.28Å; M53-L114 HydrophobicContact CG-CD2 3.94Å; M53-L114 HydrophobicContact CG-CG 4.29Å; M53-L114 HydrophobicContact SD-CD1 4.1Å; M53-L114 HydrophobicContact SD-CD2 4.14Å; M53-L114 HydrophobicContact SD-CG 3.92Å
54	L	95.1	Very high	94.9	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.6	173	-172.6	69.9	0	0	0	108.5	M1 I15 I20 T22 P23 M24 V56	M1-L54 HydrophobicContact CE-CD1 4.34Å; I15-L54 HydrophobicContact CB-CD2 4.04Å; I15-L54 HydrophobicContact CG1-CD2 3.95Å; I15-L54 HydrophobicContact CG2-CD2 3.89Å; I20-L54 HydrophobicContact CG2-CB 4.15Å; T22-L54 PolarHBondContact O-N 3.01Å; P23-L54 CarbonylContact C-O 3.58Å; P23-L54 VanDerWaalsContact CA-O 3.3Å; P23-L54 WeakPolarHBondContact CA-O 3.42Å; P23-L54 HydrophobicContact CB-CB 4.39Å; M24-L54 PolarHBondContact N-O 3.29Å; L54-V56 HydrophobicContact CD2-CG2 3.9Å; L54-V56 HydrophobicContact CG-CG2 3.93Å
55	F	97.2	Very high	94.6	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.1	176.9	-77.4	-114.1	0	0	0	108.3	V4 N5 M24 Y42 A45 A46 F49 M53 A110	V4-F55 WeakPolarHBondContact CA-O 3.18Å; V4-F55 HydrophobicContact CG2-CB 4.24Å; N5-F55 PolarHBondContact N-O 2.7Å; M24-F55 HydrophobicContact SD-CD1 4.17Å; M24-F55 HydrophobicContact SD-CE1 3.5Å; M24-F55 WeakPolarHBondContact SD-CE1 3.33Å; M24-F55 HydrophobicContact SD-CZ 3.79Å; Y42-F55 HydrophobicContact CD1-CD1 4.25Å; Y42-F55 HydrophobicContact CD2-CD1 4.05Å; Y42-F55 HydrophobicContact CD2-CE1 4.42Å; Y42-F55 HydrophobicContact CE1-CB 3.73Å; Y42-F55 AromaticContact CE1-CD1 3.75Å; Y42-F55 HydrophobicContact CE1-CD1 3.75Å; Y42-F55 HydrophobicContact CE1-CG 4.23Å; Y42-F55 AromaticContact CE2-CD1 3.5Å; Y42-F55 HydrophobicContact CE2-CD1 3.5Å; Y42-F55 AromaticContact CE2-CE1 3.93Å; Y42-F55 HydrophobicContact CE2-CE1 3.93Å; Y42-F55 HydrophobicContact CG-CD1 4.37Å; Y42-F55 AromaticContact CZ-CD1 3.32Å; Y42-F55 WeakPolarHBondContact OH-CD1 3.14Å; A45-F55 HydrophobicContact CB-CE1 4.37Å; A46-F55 HydrophobicContact CB-CB 3.76Å; A46-F55 HydrophobicContact CB-CD1 3.42Å; A46-F55 VanDerWaalsContact CB-CD1 3.42Å; A46-F55 HydrophobicContact CB-CD2 3.78Å; A46-F55 HydrophobicContact CB-CE1 3.94Å; A46-F55 HydrophobicContact CB-CE2 4.26Å; A46-F55 HydrophobicContact CB-CG 3.35Å; A46-F55 HydrophobicContact CB-CZ 4.35Å; F49-F55 HydrophobicContact CB-CE2 3.71Å; F49-F55 HydrophobicContact CB-CZ 4.08Å; F49-F55 HydrophobicContact CD2-CE2 4.42Å; F49-F55 AromaticContact CD2-CZ 3.92Å; F49-F55 HydrophobicContact CD2-CZ 3.92Å; F49-F55 HydrophobicContact CG-CE2 4.39Å; F49-F55 HydrophobicContact CG-CZ 4.29Å; M53-F55 HydrophobicContact CB-CD2 4.4Å; M53-F55 HydrophobicContact CB-CE2 3.89Å; F55-A110 HydrophobicContact CZ-CB 4.32Å
56	V	97	Very high	94.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.5	-172.1	-178	0	0	0	0	109.4	N5 F7 I15 P23 M24 L25 L26 Y42 L54 V58	N5-V56 CarbonylContact O-C 3.42Å; N5-V56 WeakPolarHBondContact O-CA 3.15Å; N5-V56 WeakPolarHBondContact O-CG1 3.33Å; F7-V56 HydrophobicContact CB-CG1 3.75Å; F7-V56 HydrophobicContact CD2-CG1 4.29Å; I15-V56 HydrophobicContact CD1-CG1 3.77Å; I15-V56 HydrophobicContact CD1-CG2 4.09Å; I15-V56 HydrophobicContact CG1-CG2 4.12Å; I15-V56 HydrophobicContact CG2-CG2 4.18Å; P23-V56 HydrophobicContact CB-CG2 4.16Å; M24-V56 PolarHBondContact O-N 3.19Å; L25-V56 CarbonylContact C-O 3.51Å; L25-V56 VanDerWaalsContact CA-O 3.28Å; L25-V56 WeakPolarHBondContact CA-O 3.4Å; L25-V56 HydrophobicContact CG-CB 4.34Å; L26-V56 PolarHBondContact N-O 2.92Å; Y42-V56 PolarHBondContact OH-N 2.9Å; L54-V56 HydrophobicContact CD2-CG2 3.9Å; L54-V56 HydrophobicContact CG-CG2 3.93Å; V56-V58 HydrophobicContact CG1-CG2 4.44Å
57	S	97.2	Very high	93.4	Very high	14 Å²	14	58 Å²	58	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.8	167.6	54.7	0	0	0	0	110.2	N5 E6 F7 L26	N5-S57 PolarHBondContact O-N 3.26Å; E6-S57 CarbonylContact C-O 3.6Å; E6-S57 WeakPolarHBondContact CA-OG 3.28Å; F7-S57 WeakPolarHBondContact CB-O 3.37Å; F7-S57 PolarHBondContact N-O 3.29Å; L26-S57 CarbonylContact O-C 3.59Å; L26-S57 WeakPolarHBondContact O-CA 3.4Å
58	V	97.2	Very high	92.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.7	177.8	-173.2	0	0	0	0	107.5	F7 L25 L26 F27 I28 V56 N65 V68	F7-V58 HydrophobicContact CB-CG2 3.9Å; F7-V58 HydrophobicContact CG-CG2 4.4Å; L25-V58 HydrophobicContact CB-CG2 4.24Å; L25-V58 HydrophobicContact CD2-CG2 3.79Å; L26-V58 PolarHBondContact O-N 3.11Å; F27-V58 WeakPolarHBondContact CA-O 3.24Å; F27-V58 HydrophobicContact CD1-CB 3.74Å; F27-V58 HydrophobicContact CD1-CG1 3.83Å; F27-V58 HydrophobicContact CD1-CG2 4.25Å; F27-V58 HydrophobicContact CE1-CB 3.91Å; F27-V58 HydrophobicContact CE1-CG1 3.82Å; F27-V58 HydrophobicContact CE1-CG2 4Å; F27-V58 HydrophobicContact CG-CB 4.29Å; F27-V58 HydrophobicContact CZ-CG2 4.22Å; I28-V58 PolarHBondContact N-O 2.78Å; V56-V58 HydrophobicContact CG1-CG2 4.44Å; V58-N65 HydrophobicContact CG1-CB 3.78Å; V58-V68 HydrophobicContact CG1-CB 4.48Å; V58-V68 HydrophobicContact CG1-CG1 4.49Å
59	D	96.7	Very high	92.6	Very high	16 Å²	16	47.5 Å²	47.5	9%	0.086	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.4	176	-178.6	18.1	0	0	0	110	I28 K30 E61 S62 N65	I28-D59 CarbonylContact O-C 3.47Å; I28-D59 WeakPolarHBondContact O-CA 3.27Å; K30-D59 HydrophobicContact CD-CB 4.41Å; K30-D59 WeakPolarHBondContact CD-OD2 3.31Å; K30-D59 WeakPolarHBondContact CE-OD2 3.37Å; K30-D59 HydrophobicContact CG-CB 4.26Å; K30-D59 WeakPolarHBondContact CG-OD2 3.23Å; K30-D59 PolarHBondContact N-OD1 3.45Å; K30-D59 VanDerWaalsContact N-OD1 3.12Å; K30-D59 IonicContact NZ-OD2 3.54Å; D59-E61 VanDerWaalsContact C-N 3.27Å; D59-E61 PolarHBondContact O-N 2.78Å; D59-E61 PolarHBondContact OD1-N 2.84Å; D59-S62 WeakPolarHBondContact O-CB 3.48Å; D59-S62 PolarHBondContact O-N 3.24Å; D59-N65 VanDerWaalsContact O-CB 3.31Å; D59-N65 WeakPolarHBondContact O-CB 3.45Å; D59-N65 PolarHBondContact O-ND2 2.8Å
60	I	95.6	Very high	92.2	Very high	15 Å²	15	51.8 Å²	51.8	8%	0.077	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.3	-175.3	65.2	150	0	0	0	113.4	F27 I28 S62 L69 E76 V79	F27-I60 HydrophobicContact CB-CG2 4.33Å; F27-I60 HydrophobicContact CD1-CG2 4.29Å; I28-I60 WeakPolarHBondContact O-CG1 3.28Å; I28-I60 PolarHBondContact O-N 3.37Å; I60-S62 PolarHBondContact O-N 2.85Å; I60-L69 HydrophobicContact CB-CD1 4.12Å; I60-L69 HydrophobicContact CG2-CD1 3.77Å; I60-L69 HydrophobicContact CG2-CD2 4.12Å; I60-L69 HydrophobicContact CG2-CG 4.08Å; I60-E76 HydrophobicContact CD1-CB 4.24Å; I60-E76 HydrophobicContact CD1-CG 4.32Å; I60-V79 HydrophobicContact CD1-CB 3.98Å; I60-V79 HydrophobicContact CD1-CG1 3.87Å; I60-V79 HydrophobicContact CD1-CG2 4.09Å; I60-V79 HydrophobicContact CG1-CG1 4.11Å; I60-V79 HydrophobicContact CG2-CG1 4.21Å; I60-V79 HydrophobicContact CG2-CG2 4.05Å
61	E	93	Very high	91.9	Very high	116 Å²	116	45.2 Å²	45.2	54%	0.542	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19	173.3	-59.5	-59.8	141.4	0	0	111.8	S29 D59	S29-E61 VanDerWaalsContact CB-OE1 3.3Å; S29-E61 WeakPolarHBondContact CB-OE1 3.45Å; S29-E61 WeakPolarHBondContact OG-CG 3.44Å; S29-E61 PolarHBondContact OG-OE1 3.34Å; D59-E61 VanDerWaalsContact C-N 3.27Å; D59-E61 PolarHBondContact O-N 2.78Å; D59-E61 PolarHBondContact OD1-N 2.84Å
62	S	92	Very high	91.9	Very high	43 Å²	43	42.7 Å²	42.7	30%	0.301	20%	0.204	S	C	.	.	S	Bend	trans	-78.3	121.1	172.8	-179.8	0	0	0	0	110.6	D59 I60 D64 N65	D59-S62 WeakPolarHBondContact O-CB 3.48Å; D59-S62 PolarHBondContact O-N 3.24Å; I60-S62 PolarHBondContact O-N 2.85Å; S62-D64 PolarHBondContact O-N 2.78Å; S62-N65 WeakPolarHBondContact O-CB 3.5Å; S62-N65 PolarHBondContact O-N 2.96Å
63	E	87.8	Confident	91.7	Very high	128 Å²	128	38.9 Å²	38.9	60%	0.598	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-54.9	-37.7	177.3	-166.8	64.7	-153.7	0	0	112.4	N65 K66	E63-N65 PolarHBondContact O-N 3.27Å; E63-N65 VanDerWaalsContact O-N 3.11Å; E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 WeakPolarHBondContact OE1-CD 3.27Å; E63-K66 IonicContact OE1-NZ 3.03Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 WeakPolarHBondContact OE2-CE 3.3Å; E63-K66 IonicContact OE2-NZ 2.66Å; E63-K66 PolarHBondContact OE2-NZ 3.22Å
64	D	84.7	Confident	91.6	Very high	95 Å²	95	39.1 Å²	39.1	51%	0.508	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.5	-24.4	177.5	-79.6	-1.7	0	0	0	112.7	Q9 S62	Q9-D64 WeakPolarHBondContact CG-OD2 3.29Å; Q9-D64 PolarHBondContact NE2-OD2 3.06Å; S62-D64 PolarHBondContact O-N 2.78Å
65	N	90.3	Very high	91.4	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.5	-10.9	-175.8	-69	-14.7	0	0	0	113.6	F7 V58 D59 S62 E63 R67 V68 L69	F7-N65 VanDerWaalsContact CD1-OD1 3.23Å; F7-N65 WeakPolarHBondContact CD1-OD1 3.46Å; V58-N65 HydrophobicContact CG1-CB 3.78Å; D59-N65 VanDerWaalsContact O-CB 3.31Å; D59-N65 WeakPolarHBondContact O-CB 3.45Å; D59-N65 PolarHBondContact O-ND2 2.8Å; S62-N65 WeakPolarHBondContact O-CB 3.5Å; S62-N65 PolarHBondContact O-N 2.96Å; E63-N65 PolarHBondContact O-N 3.27Å; E63-N65 VanDerWaalsContact O-N 3.11Å; N65-R67 PolarHBondContact O-N 3.21Å; N65-V68 WeakPolarHBondContact O-CA 3.36Å; N65-V68 VanDerWaalsContact O-CB 3.27Å; N65-V68 WeakPolarHBondContact O-CB 3.27Å; N65-V68 PolarHBondContact O-N 3.44Å; N65-L69 PolarHBondContact O-N 2.94Å
66	K	87.8	Confident	91.2	Very high	70 Å²	70	50.3 Å²	50.3	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-37.6	175.9	-71.1	-173.2	179.2	165.2	0	112.3	E63 V68 L69 E70	E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 WeakPolarHBondContact OE1-CD 3.27Å; E63-K66 IonicContact OE1-NZ 3.03Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 WeakPolarHBondContact OE2-CE 3.3Å; E63-K66 IonicContact OE2-NZ 2.66Å; E63-K66 PolarHBondContact OE2-NZ 3.22Å; K66-V68 PolarHBondContact O-N 3.07Å; K66-L69 WeakPolarHBondContact O-CB 3.28Å; K66-L69 PolarHBondContact O-N 3.2Å; K66-L69 VanDerWaalsContact O-N 3.14Å; K66-E70 PolarHBondContact O-N 2.93Å; K66-E70 VanDerWaalsContact O-N 3.09Å
67	R	82.9	Confident	91.1	Very high	90 Å²	90	56.4 Å²	56.4	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-27.8	175.9	-162.1	72.3	-154.2	176.4	-1	112.7	N65 E70 F71 P162	N65-R67 PolarHBondContact O-N 3.21Å; R67-E70 VanDerWaalsContact CD-OE2 3.23Å; R67-E70 WeakPolarHBondContact CD-OE2 3.29Å; R67-E70 IonicContact CZ-OE2 2.68Å; R67-E70 IonicContact NE-OE2 2.73Å; R67-E70 PolarHBondContact NE-OE2 3.17Å; R67-E70 IonicContact NH1-OE2 2.76Å; R67-E70 PolarHBondContact NH1-OE2 3.47Å; R67-E70 IonicContact NH2-OE2 2.98Å; R67-F71 VanDerWaalsContact O-CB 3.28Å; R67-F71 WeakPolarHBondContact O-CB 3.41Å; R67-F71 PolarHBondContact O-N 3.16Å; R67-P162 VanDerWaalsContact NH2-CB 3.33Å
68	V	88.8	Confident	90.9	Very high	16 Å²	16	59.4 Å²	59.4	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-71.6	-41.6	175.8	-169.7	0	0	0	0	109.8	F7 L25 F27 V58 N65 K66 F71 F72	F7-V68 HydrophobicContact CD1-CG2 4.23Å; F7-V68 HydrophobicContact CE1-CG2 3.59Å; F7-V68 HydrophobicContact CZ-CG2 3.76Å; L25-V68 HydrophobicContact CD2-CG1 4.35Å; F27-V68 HydrophobicContact CE1-CB 4.25Å; F27-V68 HydrophobicContact CE1-CG1 3.72Å; F27-V68 HydrophobicContact CZ-CG1 3.85Å; V58-V68 HydrophobicContact CG1-CB 4.48Å; V58-V68 HydrophobicContact CG1-CG1 4.49Å; N65-V68 WeakPolarHBondContact O-CA 3.36Å; N65-V68 VanDerWaalsContact O-CB 3.27Å; N65-V68 WeakPolarHBondContact O-CB 3.27Å; N65-V68 PolarHBondContact O-N 3.44Å; K66-V68 PolarHBondContact O-N 3.07Å; V68-F71 WeakPolarHBondContact O-CB 3.44Å; V68-F71 PolarHBondContact O-N 2.99Å; V68-F72 HydrophobicContact CG1-CD2 4.15Å; V68-F72 HydrophobicContact CG1-CE2 4.02Å; V68-F72 VanDerWaalsContact O-CD2 3.27Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.43Å; V68-F72 VanDerWaalsContact O-N 3.15Å
69	L	90.7	Very high	90.9	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-58.5	-49.3	172.9	-76.3	173.3	0	0	0	111.6	F27 I60 N65 K66 F71 F72 G73 M74 E76 V79	F27-L69 HydrophobicContact CD1-CD2 3.52Å; F27-L69 HydrophobicContact CD1-CG 4.17Å; F27-L69 HydrophobicContact CE1-CD2 3.99Å; F27-L69 HydrophobicContact CE1-CG 4.41Å; F27-L69 HydrophobicContact CG-CD2 4.15Å; I60-L69 HydrophobicContact CB-CD1 4.12Å; I60-L69 HydrophobicContact CG2-CD1 3.77Å; I60-L69 HydrophobicContact CG2-CD2 4.12Å; I60-L69 HydrophobicContact CG2-CG 4.08Å; N65-L69 PolarHBondContact O-N 2.94Å; K66-L69 WeakPolarHBondContact O-CB 3.28Å; K66-L69 PolarHBondContact O-N 3.2Å; K66-L69 VanDerWaalsContact O-N 3.14Å; L69-F71 VanDerWaalsContact C-N 3.27Å; L69-F71 PolarHBondContact O-N 2.99Å; L69-F72 CarbonylContact O-C 3.55Å; L69-F72 WeakPolarHBondContact O-CA 3.35Å; L69-F72 PolarHBondContact O-N 3.18Å; L69-G73 PolarHBondContact O-N 3.01Å; L69-G73 VanDerWaalsContact O-N 3.08Å; L69-M74 HydrophobicContact CD2-CB 4.01Å; L69-M74 HydrophobicContact CD2-CE 3.8Å; L69-M74 PolarHBondContact O-N 3.45Å; L69-E76 HydrophobicContact CD1-CG 3.85Å; L69-V79 HydrophobicContact CD2-CG2 3.87Å
70	E	87.1	Confident	90.9	Very high	97 Å²	97	62.3 Å²	62.3	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-41.3	176.7	-68.8	177	174.1	0	0	111.8	K66 R67 F72 G73	K66-E70 PolarHBondContact O-N 2.93Å; K66-E70 VanDerWaalsContact O-N 3.09Å; R67-E70 VanDerWaalsContact CD-OE2 3.23Å; R67-E70 WeakPolarHBondContact CD-OE2 3.29Å; R67-E70 IonicContact CZ-OE2 2.68Å; R67-E70 IonicContact NE-OE2 2.73Å; R67-E70 PolarHBondContact NE-OE2 3.17Å; R67-E70 IonicContact NH1-OE2 2.76Å; R67-E70 PolarHBondContact NH1-OE2 3.47Å; R67-E70 IonicContact NH2-OE2 2.98Å; E70-F72 PolarHBondContact O-N 2.73Å; E70-G73 PolarHBondContact O-N 3.1Å
71	F	87.7	Confident	91	Very high	29 Å²	29	62 Å²	62	13%	0.127	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-31.3	176.2	175	-92	0	0	0	112.1	R67 V68 L69 I85 M91 K93 L123 T195	R67-F71 VanDerWaalsContact O-CB 3.28Å; R67-F71 WeakPolarHBondContact O-CB 3.41Å; R67-F71 PolarHBondContact O-N 3.16Å; V68-F71 WeakPolarHBondContact O-CB 3.44Å; V68-F71 PolarHBondContact O-N 2.99Å; L69-F71 VanDerWaalsContact C-N 3.27Å; L69-F71 PolarHBondContact O-N 2.99Å; F71-I85 HydrophobicContact CE1-CD1 3.73Å; F71-I85 HydrophobicContact CZ-CD1 3.87Å; F71-M91 HydrophobicContact CE2-SD 3.79Å; F71-M91 HydrophobicContact CZ-CG 4.29Å; F71-M91 HydrophobicContact CZ-SD 3.41Å; F71-M91 WeakPolarHBondContact CZ-SD 3.46Å; F71-K93 HydrophobicContact CE1-CD 4.35Å; F71-K93 WeakPolarHBondContact O-CE 3.36Å; F71-K93 PolarHBondContact O-NZ 3.49Å; F71-L123 WeakPolarHBondContact O-CD1 3.42Å; F71-T195 HydrophobicContact CD2-CG2 4.29Å; F71-T195 HydrophobicContact CE2-CG2 4.43Å
72	F	92.1	Very high	91.2	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.026	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.8	172.5	-74.3	-78.7	0	0	0	113.9	L25 F27 V68 L69 E70 M74 R83 I85 K93	L25-F72 HydrophobicContact CD1-CE2 4.15Å; L25-F72 HydrophobicContact CD1-CZ 3.65Å; L25-F72 HydrophobicContact CD2-CE2 4.01Å; L25-F72 HydrophobicContact CD2-CZ 4.34Å; F27-F72 HydrophobicContact CE1-CD2 4.38Å; F27-F72 HydrophobicContact CE2-CD2 4.1Å; F27-F72 HydrophobicContact CE2-CE2 4.37Å; F27-F72 AromaticContact CZ-CD2 3.45Å; F27-F72 HydrophobicContact CZ-CD2 3.45Å; F27-F72 VanDerWaalsContact CZ-CD2 3.45Å; F27-F72 AromaticContact CZ-CE2 3.77Å; F27-F72 HydrophobicContact CZ-CE2 3.77Å; F27-F72 HydrophobicContact CZ-CG 4.26Å; V68-F72 HydrophobicContact CG1-CD2 4.15Å; V68-F72 HydrophobicContact CG1-CE2 4.02Å; V68-F72 VanDerWaalsContact O-CD2 3.27Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.43Å; V68-F72 VanDerWaalsContact O-N 3.15Å; L69-F72 CarbonylContact O-C 3.55Å; L69-F72 WeakPolarHBondContact O-CA 3.35Å; L69-F72 PolarHBondContact O-N 3.18Å; E70-F72 PolarHBondContact O-N 2.73Å; F72-M74 HydrophobicContact CB-CE 3.65Å; F72-M74 HydrophobicContact CB-CG 4.09Å; F72-M74 HydrophobicContact CB-SD 4.4Å; F72-M74 HydrophobicContact CG-CE 4.28Å; F72-M74 PolarHBondContact O-N 3.28Å; F72-R83 HydrophobicContact CB-CG 4.27Å; F72-R83 HydrophobicContact CD1-CB 3.63Å; F72-R83 HydrophobicContact CD1-CG 3.62Å; F72-R83 HydrophobicContact CE1-CB 3.62Å; F72-R83 HydrophobicContact CE1-CG 4.16Å; F72-R83 HydrophobicContact CG-CB 4.29Å; F72-R83 HydrophobicContact CG-CG 4Å; F72-R83 HydrophobicContact CZ-CB 4.29Å; F72-I85 HydrophobicContact CE1-CB 4.35Å; F72-I85 HydrophobicContact CZ-CB 4.18Å; F72-K93 HydrophobicContact CD1-CB 4.44Å; F72-K93 HydrophobicContact CD1-CD 4.05Å; F72-K93 HydrophobicContact CD1-CG 4.12Å; F72-K93 HydrophobicContact CE1-CB 4.42Å; F72-K93 HydrophobicContact CE1-CD 4.34Å; F72-K93 HydrophobicContact CE1-CG 3.97Å
73	G	89.7	Confident	91.5	Very high	47 Å²	47	55.1 Å²	55.1	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	28.6	-178.1	0	0	0	0	0	113.2	L69 E70	L69-G73 PolarHBondContact O-N 3.01Å; L69-G73 VanDerWaalsContact O-N 3.08Å; E70-G73 PolarHBondContact O-N 3.1Å
74	M	92.3	Very high	91.9	Very high	11 Å²	11	49 Å²	49	5%	0.054	26%	0.255	C	S	.	.			trans	-104.2	150.3	-177.4	-64.2	-171.1	-63.1	0	0	111.6	F27 L69 F72 E78 A81 R83	F27-M74 HydrophobicContact CD1-CE 3.96Å; F27-M74 HydrophobicContact CD2-CE 3.4Å; F27-M74 HydrophobicContact CE1-CE 3.9Å; F27-M74 HydrophobicContact CE2-CE 3.36Å; F27-M74 HydrophobicContact CG-CE 3.72Å; F27-M74 HydrophobicContact CZ-CE 3.63Å; L69-M74 HydrophobicContact CD2-CB 4.01Å; L69-M74 HydrophobicContact CD2-CE 3.8Å; L69-M74 PolarHBondContact O-N 3.45Å; F72-M74 HydrophobicContact CB-CE 3.65Å; F72-M74 HydrophobicContact CB-CG 4.09Å; F72-M74 HydrophobicContact CB-SD 4.4Å; F72-M74 HydrophobicContact CG-CE 4.28Å; F72-M74 PolarHBondContact O-N 3.28Å; M74-E78 WeakPolarHBondContact CA-OE2 3.44Å; M74-A81 HydrophobicContact CE-CB 4.47Å; M74-A81 HydrophobicContact SD-CB 3.75Å; M74-R83 HydrophobicContact CE-CG 4.01Å; M74-R83 HydrophobicContact SD-CG 4.02Å; M74-R83 PolarHBondContact SD-NH2 3.26Å
75	K	91.8	Very high	92.3	Very high	152 Å²	152	44.7 Å²	44.7	66%	0.661	23%	0.231	S	C	*	.			trans	-97.8	158.4	167.9	-61.2	179	-176.2	178.3	0	110.6	T77 E78	K75-T77 PolarHBondContact O-N 3.09Å; K75-E78 PolarHBondContact N-OE2 3.26Å; K75-E78 WeakPolarHBondContact O-CB 3.24Å; K75-E78 PolarHBondContact O-N 2.92Å
76	E	93.1	Very high	92.4	Very high	104 Å²	104	45.8 Å²	45.8	49%	0.486	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.2	-33.2	174.7	-66.6	175.3	-167.5	0	0	112	I60 L69 E78 V79	I60-E76 HydrophobicContact CD1-CB 4.24Å; I60-E76 HydrophobicContact CD1-CG 4.32Å; L69-E76 HydrophobicContact CD1-CG 3.85Å; E76-E78 PolarHBondContact O-N 3.28Å; E76-E78 VanDerWaalsContact O-N 3.16Å; E76-V79 VanDerWaalsContact O-CB 3.29Å; E76-V79 WeakPolarHBondContact O-CB 3.21Å; E76-V79 PolarHBondContact O-N 3.19Å; E76-V79 VanDerWaalsContact O-N 3.07Å
77	T	94	Very high	92.3	Very high	127 Å²	127	44 Å²	44	78%	0.779	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.2	-13.6	176.5	56.2	0	0	0	0	114.5	K75 V79	K75-T77 PolarHBondContact O-N 3.09Å; T77-V79 VanDerWaalsContact C-N 3.34Å
78	E	94.2	Very high	92.1	Very high	77 Å²	77	42.3 Å²	42.3	36%	0.36	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-90.1	-2.2	175.8	-65.7	176.9	84	0	0	112.4	M74 K75 E76 P80 A81	M74-E78 WeakPolarHBondContact CA-OE2 3.44Å; K75-E78 PolarHBondContact N-OE2 3.26Å; K75-E78 WeakPolarHBondContact O-CB 3.24Å; K75-E78 PolarHBondContact O-N 2.92Å; E76-E78 PolarHBondContact O-N 3.28Å; E76-E78 VanDerWaalsContact O-N 3.16Å; E78-P80 CarbonylContact O-C 3.49Å; E78-A81 WeakPolarHBondContact O-CB 3.39Å
79	V	95.8	Very high	91.2	Very high	26 Å²	26	49.1 Å²	49.1	16%	0.158	27%	0.274	C	S	.	.			trans	-88.9	135.5	-179.1	-179.7	0	0	0	0	108.9	F27 I60 L69 E76 T77	F27-V79 HydrophobicContact CB-CG1 4.27Å; F27-V79 HydrophobicContact CB-CG2 4.15Å; I60-V79 HydrophobicContact CD1-CB 3.98Å; I60-V79 HydrophobicContact CD1-CG1 3.87Å; I60-V79 HydrophobicContact CD1-CG2 4.09Å; I60-V79 HydrophobicContact CG1-CG1 4.11Å; I60-V79 HydrophobicContact CG2-CG1 4.21Å; I60-V79 HydrophobicContact CG2-CG2 4.05Å; L69-V79 HydrophobicContact CD2-CG2 3.87Å; E76-V79 VanDerWaalsContact O-CB 3.29Å; E76-V79 WeakPolarHBondContact O-CB 3.21Å; E76-V79 PolarHBondContact O-N 3.19Å; E76-V79 VanDerWaalsContact O-N 3.07Å; T77-V79 VanDerWaalsContact C-N 3.34Å
80	P	97.4	Very high	90.4	Very high	51 Å²	51	50.7 Å²	50.7	33%	0.331	28%	0.282	S	S	.	.	S	Bend	cis	-76.8	139.5	10.1	33	-37.6	0	0	0	114.2	F27 I28 L38 E78 I101	F27-P80 VanDerWaalsContact O-CA 3.28Å; F27-P80 WeakPolarHBondContact O-CA 3.41Å; I28-P80 HydrophobicContact CG2-CB 4.34Å; L38-P80 HydrophobicContact CD1-CB 3.64Å; L38-P80 HydrophobicContact CD1-CG 3.84Å; E78-P80 CarbonylContact O-C 3.49Å; P80-I101 HydrophobicContact CB-CD1 3.91Å; P80-I101 HydrophobicContact CG-CD1 4.32Å
81	A	97.4	Very high	90.3	Very high	9 Å²	9	49.8 Å²	49.8	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.7	-177.2	0	0	0	0	0	112.2	F27 M74 E78	F27-A81 HydrophobicContact CB-CB 4.45Å; F27-A81 PolarHBondContact N-O 3.34Å; F27-A81 PolarHBondContact O-N 3.37Å; F27-A81 VanDerWaalsContact O-N 3.1Å; M74-A81 HydrophobicContact CE-CB 4.47Å; M74-A81 HydrophobicContact SD-CB 3.75Å; E78-A81 WeakPolarHBondContact O-CB 3.39Å
82	C	97.7	Very high	90.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.4	172.3	-166.3	0	0	0	0	111.8	M24 L25 P96 F98 L106	M24-C82 WeakPolarHBondContact CE-SG 3.23Å; L25-C82 CarbonylContact O-C 3.57Å; L25-C82 VanDerWaalsContact O-CA 3.24Å; L25-C82 WeakPolarHBondContact O-CA 3.35Å; L25-C82 PolarHBondContact O-SG 2.96Å; C82-P96 HydrophobicContact CB-CG 4.48Å; C82-P96 WeakPolarHBondContact O-CD 3.42Å; C82-P96 WeakPolarHBondContact O-CG 3.35Å; C82-F98 HydrophobicContact CB-CZ 4.14Å; C82-L106 HydrophobicContact CB-CD2 4.3Å
83	R	97.6	Very high	90.5	Very high	13 Å²	13	51 Å²	51	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.7	174.1	-64.8	-65.7	-177.7	-86.4	-1.2	109.9	M24 L25 F27 F72 M74 F94	M24-R83 CarbonylContact C-O 3.48Å; M24-R83 WeakPolarHBondContact CA-O 3.28Å; L25-R83 PolarHBondContact N-O 3.15Å; L25-R83 PolarHBondContact O-N 3.14Å; F27-R83 HydrophobicContact CE2-CB 4.31Å; F27-R83 HydrophobicContact CE2-CG 4.24Å; F72-R83 HydrophobicContact CB-CG 4.27Å; F72-R83 HydrophobicContact CD1-CB 3.63Å; F72-R83 HydrophobicContact CD1-CG 3.62Å; F72-R83 HydrophobicContact CE1-CB 3.62Å; F72-R83 HydrophobicContact CE1-CG 4.16Å; F72-R83 HydrophobicContact CG-CB 4.29Å; F72-R83 HydrophobicContact CG-CG 4Å; F72-R83 HydrophobicContact CZ-CB 4.29Å; M74-R83 HydrophobicContact CE-CG 4.01Å; M74-R83 HydrophobicContact SD-CG 4.02Å; M74-R83 PolarHBondContact SD-NH2 3.26Å; R83-F94 WeakPolarHBondContact CA-O 3.2Å; R83-F94 WeakPolarHBondContact CD-O 3.27Å
84	I	97.2	Very high	90.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.4	165	-66.3	163	0	0	0	107.7	M24 M53 K93 F94 F109 F113	M24-I84 HydrophobicContact CB-CG1 3.99Å; M24-I84 HydrophobicContact CG-CG1 3.77Å; M24-I84 HydrophobicContact SD-CG1 4.48Å; M53-I84 HydrophobicContact CE-CD1 3.79Å; M53-I84 HydrophobicContact CE-CG1 3.95Å; M53-I84 HydrophobicContact CE-CG2 4.04Å; I84-K93 CarbonylContact O-C 3.53Å; I84-K93 WeakPolarHBondContact O-CA 3.43Å; I84-F94 HydrophobicContact CB-CB 4.17Å; I84-F94 HydrophobicContact CG2-CD2 4.35Å; I84-F94 PolarHBondContact N-O 3.42Å; I84-F94 VanDerWaalsContact N-O 3.09Å; I84-F94 PolarHBondContact O-N 3.11Å; I84-F109 HydrophobicContact CB-CE1 4.5Å; I84-F109 HydrophobicContact CB-CZ 4.29Å; I84-F109 HydrophobicContact CD1-CD1 3.91Å; I84-F109 HydrophobicContact CD1-CD2 4.27Å; I84-F109 HydrophobicContact CD1-CE1 3.61Å; I84-F109 HydrophobicContact CD1-CE2 4.05Å; I84-F109 HydrophobicContact CD1-CG 4.18Å; I84-F109 HydrophobicContact CD1-CZ 3.68Å; I84-F109 HydrophobicContact CG1-CD1 4.34Å; I84-F109 HydrophobicContact CG1-CE1 3.68Å; I84-F109 HydrophobicContact CG1-CZ 3.88Å; I84-F113 HydrophobicContact CD1-CB 3.63Å; I84-F113 HydrophobicContact CD1-CD1 4.38Å; I84-F113 HydrophobicContact CD1-CD2 4.36Å; I84-F113 HydrophobicContact CD1-CG 3.86Å; I84-F113 HydrophobicContact CG2-CD1 4.09Å; I84-F113 HydrophobicContact CG2-CD2 3.8Å; I84-F113 HydrophobicContact CG2-CE1 4.04Å; I84-F113 HydrophobicContact CG2-CE2 3.74Å; I84-F113 HydrophobicContact CG2-CG 3.97Å; I84-F113 HydrophobicContact CG2-CZ 3.87Å
85	I	93.2	Very high	91	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	165.9	-168.3	179.9	0	0	0	108.9	T22 P23 L25 F71 F72 I87 M91 Q92	T22-I85 WeakPolarHBondContact CA-O 3.43Å; P23-I85 HydrophobicContact CB-CG2 4.1Å; P23-I85 VanDerWaalsContact CD-O 3.31Å; P23-I85 WeakPolarHBondContact CD-O 3.25Å; P23-I85 HydrophobicContact CG-CG2 3.48Å; P23-I85 VanDerWaalsContact CG-CG2 3.48Å; P23-I85 PolarHBondContact O-N 3.34Å; L25-I85 HydrophobicContact CD1-CG2 3.91Å; F71-I85 HydrophobicContact CE1-CD1 3.73Å; F71-I85 HydrophobicContact CZ-CD1 3.87Å; F72-I85 HydrophobicContact CE1-CB 4.35Å; F72-I85 HydrophobicContact CZ-CB 4.18Å; I85-I87 HydrophobicContact CD1-CG1 4.29Å; I85-I87 HydrophobicContact CG1-CG1 4.23Å; I85-I87 HydrophobicContact CG2-CD1 4.31Å; I85-I87 HydrophobicContact CG2-CG1 4.21Å; I85-M91 HydrophobicContact CD1-CE 4.47Å; I85-M91 HydrophobicContact CD1-CG 3.79Å; I85-M91 HydrophobicContact CD1-SD 4.14Å; I85-M91 HydrophobicContact CG1-CG 4.15Å; I85-Q92 CarbonylContact C-O 3.55Å; I85-Q92 WeakPolarHBondContact CA-O 3.43Å
86	S	91.8	Very high	91.3	Very high	26 Å²	26	46.5 Å²	46.5	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	167.4	-170.8	0	0	0	0	108.4	M91 Q92	S86-M91 WeakPolarHBondContact O-CA 3.41Å; S86-Q92 PolarHBondContact N-O 3.41Å; S86-Q92 PolarHBondContact O-N 2.76Å
87	I	85.8	Confident	91.3	Very high	33 Å²	33	50.8 Å²	50.8	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	72.3	-175.1	-51.1	158.4	0	0	0	108.1	F16 K21 P23 I85	F16-I87 HydrophobicContact CD1-CD1 3.61Å; F16-I87 HydrophobicContact CE1-CD1 3.93Å; K21-I87 HydrophobicContact CB-CB 4.11Å; K21-I87 WeakPolarHBondContact CB-O 3.39Å; K21-I87 HydrophobicContact CD-CB 4.28Å; K21-I87 HydrophobicContact CD-CG2 4.36Å; K21-I87 WeakPolarHBondContact CG-O 3.25Å; K21-I87 WeakPolarHBondContact O-CB 3.49Å; K21-I87 WeakPolarHBondContact O-CG1 3.48Å; K21-I87 PolarHBondContact O-N 2.98Å; P23-I87 HydrophobicContact CG-CD1 3.65Å; I85-I87 HydrophobicContact CD1-CG1 4.29Å; I85-I87 HydrophobicContact CG1-CG1 4.23Å; I85-I87 HydrophobicContact CG2-CD1 4.31Å; I85-I87 HydrophobicContact CG2-CG1 4.21Å
88	G	77.9	Confident	91.3	Very high	53 Å²	53	47.3 Å²	47.3	55%	0.546	25%	0.247	S	C	.	.	S	Bend	trans	-112.7	-140.9	-178	0	0	0	0	0	112.5	D90	G88-D90 PolarHBondContact N-O 3.06Å; G88-D90 VanDerWaalsContact N-O 3.12Å; G88-D90 PolarHBondContact O-N 2.94Å
89	E	70.8	Confident	91.2	Very high	159 Å²	159	53.5 Å²	53.5	74%	0.743	27%	0.273	S	S	*	.	S	Bend	trans	-58.1	-31.2	164.3	-65.3	-173.2	169.6	0	0	111.2	Q205	E89-Q205 VanDerWaalsContact O-CD 3.28Å; E89-Q205 WeakPolarHBondContact O-CG 2.89Å; E89-Q205 PolarHBondContact O-NE2 3.19Å
90	D	74.3	Confident	91.1	Very high	38 Å²	38	59.5 Å²	59.5	20%	0.203	30%	0.299	C	S	.	.	S	Bend	trans	-119.7	146	173.2	-61.9	-17.6	0	0	0	109.8	G88 Q92 K203	G88-D90 PolarHBondContact N-O 3.06Å; G88-D90 VanDerWaalsContact N-O 3.12Å; G88-D90 PolarHBondContact O-N 2.94Å; D90-Q92 HydrophobicContact CB-CG 4Å; D90-K203 HydrophobicContact CB-CD 4.33Å; D90-K203 VanDerWaalsContact CG-CD 3.4Å; D90-K203 WeakPolarHBondContact OD1-CB 3.35Å; D90-K203 WeakPolarHBondContact OD1-CG 3.49Å; D90-K203 WeakPolarHBondContact OD2-CD 3.49Å; D90-K203 WeakPolarHBondContact OD2-CE 3.31Å; D90-K203 WeakPolarHBondContact OD2-CG 3.46Å; D90-K203 IonicContact OD2-NZ 2.67Å; D90-K203 PolarHBondContact OD2-NZ 2.84Å
91	M	84	Confident	91.1	Very high	79 Å²	79	58.3 Å²	58.3	39%	0.389	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108	165.1	-173.1	172.6	-78.2	0	0	108.1	F71 I85 S86	F71-M91 HydrophobicContact CE2-SD 3.79Å; F71-M91 HydrophobicContact CZ-CG 4.29Å; F71-M91 HydrophobicContact CZ-SD 3.41Å; F71-M91 WeakPolarHBondContact CZ-SD 3.46Å; I85-M91 HydrophobicContact CD1-CE 4.47Å; I85-M91 HydrophobicContact CD1-CG 3.79Å; I85-M91 HydrophobicContact CD1-SD 4.14Å; I85-M91 HydrophobicContact CG1-CG 4.15Å; S86-M91 WeakPolarHBondContact O-CA 3.41Å
92	Q	90.3	Very high	91.1	Very high	57 Å²	57	60.7 Å²	60.7	27%	0.266	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.2	-179.3	-65.8	178.4	-53.6	0	0	110.3	I85 S86 D90 F94 P120	I85-Q92 CarbonylContact C-O 3.55Å; I85-Q92 WeakPolarHBondContact CA-O 3.43Å; S86-Q92 PolarHBondContact N-O 3.41Å; S86-Q92 PolarHBondContact O-N 2.76Å; D90-Q92 HydrophobicContact CB-CG 4Å; Q92-F94 HydrophobicContact CB-CE2 3.62Å; Q92-F94 HydrophobicContact CB-CZ 4Å; Q92-P120 HydrophobicContact CB-CB 4.48Å; Q92-P120 HydrophobicContact CG-CG 4.45Å; Q92-P120 VanDerWaalsContact NE2-CG 3.28Å
93	K	93.8	Very high	91.1	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.7	175.9	-62.6	169	-172.2	151.5	0	109.1	F71 F72 I84 P120 H121 L123 T195 E198	F71-K93 HydrophobicContact CE1-CD 4.35Å; F71-K93 WeakPolarHBondContact O-CE 3.36Å; F71-K93 PolarHBondContact O-NZ 3.49Å; F72-K93 HydrophobicContact CD1-CB 4.44Å; F72-K93 HydrophobicContact CD1-CD 4.05Å; F72-K93 HydrophobicContact CD1-CG 4.12Å; F72-K93 HydrophobicContact CE1-CB 4.42Å; F72-K93 HydrophobicContact CE1-CD 4.34Å; F72-K93 HydrophobicContact CE1-CG 3.97Å; I84-K93 CarbonylContact O-C 3.53Å; I84-K93 WeakPolarHBondContact O-CA 3.43Å; K93-P120 CarbonylContact O-C 3.53Å; K93-P120 WeakPolarHBondContact O-CA 3.32Å; K93-H121 PolarHBondContact O-N 2.85Å; K93-L123 HydrophobicContact CD-CD1 3.96Å; K93-L123 HydrophobicContact CD-CG 4.41Å; K93-T195 PolarHBondContact NZ-O 2.97Å; K93-E198 VanDerWaalsContact CD-OE1 3.25Å; K93-E198 WeakPolarHBondContact CD-OE1 3.39Å; K93-E198 WeakPolarHBondContact CE-OE1 3.32Å; K93-E198 IonicContact NZ-OE1 3.08Å; K93-E198 PolarHBondContact NZ-OE1 3.46Å; K93-E198 IonicContact NZ-OE2 2.7Å
94	F	96.6	Very high	91.1	Very high	12 Å²	12	70.7 Å²	70.7	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.9	176.8	-60.1	-97.6	0	0	0	109.2	R83 I84 Q92 F109 F113 L118 K119 P120	R83-F94 WeakPolarHBondContact CA-O 3.2Å; R83-F94 WeakPolarHBondContact CD-O 3.27Å; I84-F94 HydrophobicContact CB-CB 4.17Å; I84-F94 HydrophobicContact CG2-CD2 4.35Å; I84-F94 PolarHBondContact N-O 3.42Å; I84-F94 VanDerWaalsContact N-O 3.09Å; I84-F94 PolarHBondContact O-N 3.11Å; Q92-F94 HydrophobicContact CB-CE2 3.62Å; Q92-F94 HydrophobicContact CB-CZ 4Å; F94-F109 HydrophobicContact CB-CE2 4.38Å; F94-F109 HydrophobicContact CB-CZ 4.25Å; F94-F113 HydrophobicContact CD1-CD2 4.41Å; F94-F113 HydrophobicContact CD2-CD2 4Å; F94-F113 AromaticContact CD2-CE2 3.75Å; F94-F113 HydrophobicContact CD2-CE2 3.75Å; F94-F113 HydrophobicContact CE1-CD2 4.46Å; F94-F113 HydrophobicContact CE2-CD2 4.1Å; F94-F113 AromaticContact CE2-CE2 3.52Å; F94-F113 HydrophobicContact CE2-CE2 3.52Å; F94-F113 HydrophobicContact CG-CD2 4.18Å; F94-F113 HydrophobicContact CG-CE2 4.38Å; F94-F113 HydrophobicContact CZ-CD2 4.31Å; F94-F113 AromaticContact CZ-CE2 3.93Å; F94-F113 HydrophobicContact CZ-CE2 3.93Å; F94-L118 HydrophobicContact CB-CD1 4.43Å; F94-L118 HydrophobicContact CD1-CB 3.67Å; F94-L118 HydrophobicContact CD1-CD1 4.36Å; F94-L118 HydrophobicContact CE1-CB 4.09Å; F94-K119 WeakPolarHBondContact CD1-O 3.41Å; F94-P120 HydrophobicContact CE1-CB 4.45Å; F94-P120 HydrophobicContact CE1-CG 4.07Å; F94-P120 HydrophobicContact CZ-CG 4.15Å
95	K	96.8	Very high	91.2	Very high	91 Å²	91	71.3 Å²	71.3	40%	0.396	35%	0.353	S	S	.	.			trans	-110.4	131.8	178.9	178.4	172.2	-179.5	171.8	0	108.5	H121	K95-H121 HydrophobicContact CB-CB 3.86Å
96	P	96.8	Very high	91.4	Very high	14 Å²	14	71.1 Å²	71.1	9%	0.091	35%	0.352	C	S	.	.			trans	-70.1	154.8	175.3	28.9	-34.1	0	0	0	111.3	C82 F98 F109	C82-P96 HydrophobicContact CB-CG 4.48Å; C82-P96 WeakPolarHBondContact O-CD 3.42Å; C82-P96 WeakPolarHBondContact O-CG 3.35Å; P96-F98 HydrophobicContact CB-CD1 3.54Å; P96-F98 HydrophobicContact CB-CD2 4.22Å; P96-F98 HydrophobicContact CB-CE1 3.27Å; P96-F98 HydrophobicContact CB-CE2 3.93Å; P96-F98 HydrophobicContact CB-CG 4.02Å; P96-F98 HydrophobicContact CB-CZ 3.46Å; P96-F98 VanDerWaalsContact CB-CZ 3.46Å; P96-F98 HydrophobicContact CG-CD2 4.45Å; P96-F98 HydrophobicContact CG-CE1 4.04Å; P96-F98 HydrophobicContact CG-CE2 3.89Å; P96-F98 HydrophobicContact CG-CZ 3.68Å; P96-F109 HydrophobicContact CB-CD1 3.82Å; P96-F109 HydrophobicContact CB-CD2 3.99Å; P96-F109 HydrophobicContact CB-CE1 3.89Å; P96-F109 HydrophobicContact CB-CE2 3.99Å; P96-F109 HydrophobicContact CB-CG 3.93Å; P96-F109 HydrophobicContact CB-CZ 3.98Å; P96-F109 HydrophobicContact CG-CD1 4.37Å; P96-F109 HydrophobicContact CG-CE1 4.09Å; P96-F109 HydrophobicContact CG-CZ 4.31Å
97	E	94	Very high	91.7	Very high	193 Å²	193	70.6 Å²	70.6	90%	0.902	35%	0.348	S	S	*	.	S	Bend	trans	-89.3	-18	172.7	-62.3	-170.3	165	0	0	113
98	F	93.9	Very high	92.3	Very high	55 Å²	55	73.8 Å²	73.8	24%	0.241	36%	0.362	C	S	.	.			trans	-68.9	149.8	179.3	61.6	-111.6	0	0	0	111.7	C82 P96 E100 I101 S105 L106 F109	C82-F98 HydrophobicContact CB-CZ 4.14Å; P96-F98 HydrophobicContact CB-CD1 3.54Å; P96-F98 HydrophobicContact CB-CD2 4.22Å; P96-F98 HydrophobicContact CB-CE1 3.27Å; P96-F98 HydrophobicContact CB-CE2 3.93Å; P96-F98 HydrophobicContact CB-CG 4.02Å; P96-F98 HydrophobicContact CB-CZ 3.46Å; P96-F98 VanDerWaalsContact CB-CZ 3.46Å; P96-F98 HydrophobicContact CG-CD2 4.45Å; P96-F98 HydrophobicContact CG-CE1 4.04Å; P96-F98 HydrophobicContact CG-CE2 3.89Å; P96-F98 HydrophobicContact CG-CZ 3.68Å; F98-E100 WeakPolarHBondContact CD2-O 3.47Å; F98-I101 HydrophobicContact CE2-CG1 3.96Å; F98-S105 WeakPolarHBondContact CE1-O 3.27Å; F98-L106 HydrophobicContact CZ-CD2 4.21Å; F98-F109 HydrophobicContact CD1-CB 4.26Å; F98-F109 HydrophobicContact CE1-CB 3.63Å; F98-F109 AromaticContact CE1-CD1 3.97Å; F98-F109 HydrophobicContact CE1-CD1 3.97Å; F98-F109 AromaticContact CE1-CG 4Å; F98-F109 HydrophobicContact CE1-CG 4Å; F98-F109 HydrophobicContact CZ-CD1 4.33Å
99	K	91.2	Very high	93.3	Very high	207 Å²	207	71.4 Å²	71.4	90%	0.9	34%	0.337	S	S	*	.	S	Bend	trans	-95.3	-32.1	173.3	-63.9	-176.9	-179.7	-179.3	0	112.8
100	E	94.2	Very high	94.6	Very high	151 Å²	151	63.8 Å²	63.8	71%	0.706	30%	0.301	S	S	*	.	S	Bend	trans	-105.3	132.2	-177.4	-66.6	178.9	-173.7	0	0	111.2	F98 T102 S105	F98-E100 WeakPolarHBondContact CD2-O 3.47Å; E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 3.11Å; E100-S105 PolarHBondContact O-OG 2.94Å
101	I	97.6	Very high	95.8	Very high	27 Å²	27	65.6 Å²	65.6	14%	0.138	31%	0.308	C	S	.	.			trans	-88.1	105.8	177.7	-60	177.3	0	0	0	108.6	L26 L38 P80 F98 L106	L26-I101 HydrophobicContact CD1-CD1 3.83Å; L26-I101 HydrophobicContact CD1-CG2 4.27Å; L38-I101 HydrophobicContact CD2-CB 3.73Å; L38-I101 HydrophobicContact CD2-CG2 3.74Å; P80-I101 HydrophobicContact CB-CD1 3.91Å; P80-I101 HydrophobicContact CG-CD1 4.32Å; F98-I101 HydrophobicContact CE2-CG1 3.96Å; I101-L106 HydrophobicContact CG2-CD1 3.73Å; I101-L106 HydrophobicContact CG2-CD2 4.03Å; I101-L106 HydrophobicContact CG2-CG 3.97Å
102	T	97.6	Very high	96.4	Very high	58 Å²	58	64.6 Å²	64.6	36%	0.356	30%	0.303	S	S	.	.			trans	-132.4	163.9	176.6	67.3	0	0	0	0	109.1	E100 K104 S105 L106	E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 3.11Å; T102-K104 PolarHBondContact O-N 3.19Å; T102-S105 PolarHBondContact N-OG 3.36Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 2.67Å; T102-S105 PolarHBondContact OG1-N 3.01Å; T102-S105 PolarHBondContact OG1-OG 3.17Å; T102-S105 VanDerWaalsContact OG1-OG 3.1Å; T102-L106 WeakPolarHBondContact O-CB 3.43Å; T102-L106 WeakPolarHBondContact O-CD1 3.37Å; T102-L106 WeakPolarHBondContact O-CG 3.08Å; T102-L106 PolarHBondContact O-N 3.3Å
103	E	97.8	Very high	96.8	Very high	63 Å²	63	62.9 Å²	62.9	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-54.2	-39.4	175	-175.7	-167.7	146.5	0	0	111.8	K44 A45 K48 S107	K44-E103 HydrophobicContact CB-CG 3.81Å; K44-E103 WeakPolarHBondContact CB-OE2 3.43Å; K44-E103 WeakPolarHBondContact CD-OE2 3.39Å; A45-E103 HydrophobicContact CB-CG 4.49Å; K48-E103 VanDerWaalsContact CE-OE1 3.24Å; K48-E103 WeakPolarHBondContact CE-OE1 3.46Å; K48-E103 IonicContact NZ-OE1 3.98Å; K48-E103 PolarHBondContact NZ-OE1 2.8Å; E103-S107 VanDerWaalsContact O-CB 3.28Å; E103-S107 WeakPolarHBondContact O-CB 2.99Å; E103-S107 PolarHBondContact O-N 3.34Å; E103-S107 PolarHBondContact O-OG 2.97Å
104	K	97.9	Very high	96.9	Very high	162 Å²	162	65.5 Å²	65.5	70%	0.704	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-51.8	-179.7	-176.6	-177.8	175.8	-175.5	0	111.2	T102 L106 S107 Q108	T102-K104 PolarHBondContact O-N 3.19Å; K104-L106 VanDerWaalsContact C-N 3.34Å; K104-L106 PolarHBondContact O-N 3.35Å; K104-S107 PolarHBondContact O-N 3.06Å; K104-Q108 WeakPolarHBondContact O-CB 3.37Å; K104-Q108 PolarHBondContact O-N 2.86Å
105	S	98.4	Very high	96.9	Very high	14 Å²	14	68.3 Å²	68.3	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-38.8	-177.6	59.2	0	0	0	0	112	F98 E100 T102 Q108 F109	F98-S105 WeakPolarHBondContact CE1-O 3.27Å; E100-S105 PolarHBondContact O-OG 2.94Å; T102-S105 PolarHBondContact N-OG 3.36Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 2.67Å; T102-S105 PolarHBondContact OG1-N 3.01Å; T102-S105 PolarHBondContact OG1-OG 3.17Å; T102-S105 VanDerWaalsContact OG1-OG 3.1Å; S105-Q108 PolarHBondContact O-N 2.97Å; S105-F109 WeakPolarHBondContact O-CB 3.47Å; S105-F109 PolarHBondContact O-N 3.18Å
106	L	98.5	Very high	96.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-45.2	173.5	-69.2	166	0	0	0	112.5	M24 Y42 A45 C82 F98 I101 T102 K104 Q108 F109 A110	M24-L106 HydrophobicContact CE-CB 4.45Å; M24-L106 HydrophobicContact CE-CD2 3.72Å; Y42-L106 HydrophobicContact CD2-CD1 3.79Å; Y42-L106 HydrophobicContact CD2-CD2 3.84Å; Y42-L106 HydrophobicContact CD2-CG 4.38Å; Y42-L106 HydrophobicContact CE2-CD2 4.1Å; A45-L106 HydrophobicContact CB-CB 3.81Å; C82-L106 HydrophobicContact CB-CD2 4.3Å; F98-L106 HydrophobicContact CZ-CD2 4.21Å; I101-L106 HydrophobicContact CG2-CD1 3.73Å; I101-L106 HydrophobicContact CG2-CD2 4.03Å; I101-L106 HydrophobicContact CG2-CG 3.97Å; T102-L106 WeakPolarHBondContact O-CB 3.43Å; T102-L106 WeakPolarHBondContact O-CD1 3.37Å; T102-L106 WeakPolarHBondContact O-CG 3.08Å; T102-L106 PolarHBondContact O-N 3.3Å; K104-L106 VanDerWaalsContact C-N 3.34Å; K104-L106 PolarHBondContact O-N 3.35Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 2.99Å; L106-F109 PolarHBondContact O-N 2.91Å; L106-A110 WeakPolarHBondContact O-CB 3.3Å; L106-A110 PolarHBondContact O-N 2.6Å
107	S	98.2	Very high	96.9	Very high	14 Å²	14	78.6 Å²	78.6	10%	0.098	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-40.4	178.6	-57.6	0	0	0	0	111.4	K48 F49 E103 K104 Q111	K48-S107 PolarHBondContact NZ-OG 3.08Å; F49-S107 VanDerWaalsContact CZ-O 3.25Å; F49-S107 WeakPolarHBondContact CZ-O 3.06Å; E103-S107 VanDerWaalsContact O-CB 3.28Å; E103-S107 WeakPolarHBondContact O-CB 2.99Å; E103-S107 PolarHBondContact O-N 3.34Å; E103-S107 PolarHBondContact O-OG 2.97Å; K104-S107 PolarHBondContact O-N 3.06Å; S107-Q111 WeakPolarHBondContact O-CB 3.01Å; S107-Q111 PolarHBondContact O-N 3.28Å
108	Q	98.2	Very high	97	Very high	101 Å²	101	71.1 Å²	71.1	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-48.6	177.5	179.2	175	-8	0	0	111.3	K104 S105 L106 A110 Q111 E112	K104-Q108 WeakPolarHBondContact O-CB 3.37Å; K104-Q108 PolarHBondContact O-N 2.86Å; S105-Q108 PolarHBondContact O-N 2.97Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 2.99Å; Q108-A110 VanDerWaalsContact C-N 3.34Å; Q108-A110 PolarHBondContact O-N 2.69Å; Q108-Q111 PolarHBondContact O-N 3.09Å; Q108-Q111 VanDerWaalsContact O-N 3.11Å; Q108-E112 HydrophobicContact CG-CG 4.24Å; Q108-E112 VanDerWaalsContact CG-OE1 3.27Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.41Å; Q108-E112 PolarHBondContact NE2-OE1 2.8Å; Q108-E112 WeakPolarHBondContact O-CB 3.25Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 2.78Å
109	F	98.5	Very high	96.9	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-62.8	-39.6	179.7	178	-136.5	0	0	0	112.7	M24 I84 F94 P96 F98 S105 L106 F113 L118	M24-F109 HydrophobicContact CE-CD1 3.42Å; M24-F109 VanDerWaalsContact CE-CD1 3.42Å; M24-F109 HydrophobicContact CE-CE1 4.05Å; M24-F109 HydrophobicContact CE-CG 4.36Å; I84-F109 HydrophobicContact CB-CE1 4.5Å; I84-F109 HydrophobicContact CB-CZ 4.29Å; I84-F109 HydrophobicContact CD1-CD1 3.91Å; I84-F109 HydrophobicContact CD1-CD2 4.27Å; I84-F109 HydrophobicContact CD1-CE1 3.61Å; I84-F109 HydrophobicContact CD1-CE2 4.05Å; I84-F109 HydrophobicContact CD1-CG 4.18Å; I84-F109 HydrophobicContact CD1-CZ 3.68Å; I84-F109 HydrophobicContact CG1-CD1 4.34Å; I84-F109 HydrophobicContact CG1-CE1 3.68Å; I84-F109 HydrophobicContact CG1-CZ 3.88Å; F94-F109 HydrophobicContact CB-CE2 4.38Å; F94-F109 HydrophobicContact CB-CZ 4.25Å; P96-F109 HydrophobicContact CB-CD1 3.82Å; P96-F109 HydrophobicContact CB-CD2 3.99Å; P96-F109 HydrophobicContact CB-CE1 3.89Å; P96-F109 HydrophobicContact CB-CE2 3.99Å; P96-F109 HydrophobicContact CB-CG 3.93Å; P96-F109 HydrophobicContact CB-CZ 3.98Å; P96-F109 HydrophobicContact CG-CD1 4.37Å; P96-F109 HydrophobicContact CG-CE1 4.09Å; P96-F109 HydrophobicContact CG-CZ 4.31Å; F98-F109 HydrophobicContact CD1-CB 4.26Å; F98-F109 HydrophobicContact CE1-CB 3.63Å; F98-F109 AromaticContact CE1-CD1 3.97Å; F98-F109 HydrophobicContact CE1-CD1 3.97Å; F98-F109 AromaticContact CE1-CG 4Å; F98-F109 HydrophobicContact CE1-CG 4Å; F98-F109 HydrophobicContact CZ-CD1 4.33Å; S105-F109 WeakPolarHBondContact O-CB 3.47Å; S105-F109 PolarHBondContact O-N 3.18Å; L106-F109 PolarHBondContact O-N 2.91Å; F109-F113 WeakPolarHBondContact O-CB 3.35Å; F109-F113 PolarHBondContact O-N 3.11Å; F109-L118 HydrophobicContact CD2-CD1 3.56Å; F109-L118 HydrophobicContact CD2-CD2 4.36Å; F109-L118 HydrophobicContact CE2-CD1 3.41Å; F109-L118 VanDerWaalsContact CE2-CD1 3.41Å; F109-L118 HydrophobicContact CZ-CD1 4.49Å
110	A	98.4	Very high	97	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-42.1	172.2	0	0	0	0	0	112.1	M24 F49 M53 F55 L106 Q108 L114	M24-A110 HydrophobicContact SD-CB 4.26Å; F49-A110 HydrophobicContact CD1-CB 4.18Å; F49-A110 HydrophobicContact CD2-CB 3.92Å; F49-A110 HydrophobicContact CE1-CB 3.97Å; F49-A110 HydrophobicContact CE2-CB 3.75Å; F49-A110 HydrophobicContact CG-CB 4.16Å; F49-A110 HydrophobicContact CZ-CB 3.76Å; M53-A110 HydrophobicContact SD-CB 3.88Å; F55-A110 HydrophobicContact CZ-CB 4.32Å; L106-A110 WeakPolarHBondContact O-CB 3.3Å; L106-A110 PolarHBondContact O-N 2.6Å; Q108-A110 VanDerWaalsContact C-N 3.34Å; Q108-A110 PolarHBondContact O-N 2.69Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 2.68Å; A110-L114 VanDerWaalsContact O-N 3.11Å
111	Q	98.2	Very high	97	Very high	75 Å²	75	65.9 Å²	65.9	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-44.5	178.6	-170.6	62.2	58.6	0	0	112.2	F49 S107 Q108 F113 L114 D115	F49-Q111 HydrophobicContact CE1-CB 4.21Å; F49-Q111 HydrophobicContact CZ-CB 4.15Å; S107-Q111 WeakPolarHBondContact O-CB 3.01Å; S107-Q111 PolarHBondContact O-N 3.28Å; Q108-Q111 PolarHBondContact O-N 3.09Å; Q108-Q111 VanDerWaalsContact O-N 3.11Å; Q111-F113 VanDerWaalsContact C-N 3.26Å; Q111-F113 PolarHBondContact O-N 3.37Å; Q111-L114 PolarHBondContact O-N 2.88Å; Q111-L114 VanDerWaalsContact O-N 3.16Å; Q111-D115 PolarHBondContact NE2-OD1 3.36Å; Q111-D115 WeakPolarHBondContact O-CB 3.35Å; Q111-D115 PolarHBondContact O-N 2.82Å
112	E	98.3	Very high	96.8	Very high	58 Å²	58	67.7 Å²	67.7	27%	0.271	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-35.3	177.4	-73.6	170.7	175.1	0	0	112	Q108 E116 K117 L118	Q108-E112 HydrophobicContact CG-CG 4.24Å; Q108-E112 VanDerWaalsContact CG-OE1 3.27Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.41Å; Q108-E112 PolarHBondContact NE2-OE1 2.8Å; Q108-E112 WeakPolarHBondContact O-CB 3.25Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 2.78Å; E112-E116 PolarHBondContact O-N 3.07Å; E112-K117 HydrophobicContact CB-CB 4.32Å; E112-K117 HydrophobicContact CG-CD 4.49Å; E112-K117 PolarHBondContact O-N 3.06Å; E112-L118 HydrophobicContact CB-CD1 4.46Å; E112-L118 HydrophobicContact CB-CD2 3.76Å; E112-L118 HydrophobicContact CB-CG 3.93Å
113	F	97.6	Very high	96.5	Very high	21 Å²	21	65.5 Å²	65.5	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-49.6	171.6	174.8	-102.6	0	0	0	111.8	T22 M53 I84 F94 F109 Q111 D115 E116 L118	T22-F113 HydrophobicContact CG2-CE1 3.53Å; T22-F113 HydrophobicContact CG2-CZ 3.69Å; M53-F113 HydrophobicContact CE-CD1 3.66Å; M53-F113 HydrophobicContact CE-CE1 4.09Å; M53-F113 HydrophobicContact CE-CG 4.43Å; M53-F113 HydrophobicContact SD-CD1 4Å; I84-F113 HydrophobicContact CD1-CB 3.63Å; I84-F113 HydrophobicContact CD1-CD1 4.38Å; I84-F113 HydrophobicContact CD1-CD2 4.36Å; I84-F113 HydrophobicContact CD1-CG 3.86Å; I84-F113 HydrophobicContact CG2-CD1 4.09Å; I84-F113 HydrophobicContact CG2-CD2 3.8Å; I84-F113 HydrophobicContact CG2-CE1 4.04Å; I84-F113 HydrophobicContact CG2-CE2 3.74Å; I84-F113 HydrophobicContact CG2-CG 3.97Å; I84-F113 HydrophobicContact CG2-CZ 3.87Å; F94-F113 HydrophobicContact CD1-CD2 4.41Å; F94-F113 HydrophobicContact CD2-CD2 4Å; F94-F113 AromaticContact CD2-CE2 3.75Å; F94-F113 HydrophobicContact CD2-CE2 3.75Å; F94-F113 HydrophobicContact CE1-CD2 4.46Å; F94-F113 HydrophobicContact CE2-CD2 4.1Å; F94-F113 AromaticContact CE2-CE2 3.52Å; F94-F113 HydrophobicContact CE2-CE2 3.52Å; F94-F113 HydrophobicContact CG-CD2 4.18Å; F94-F113 HydrophobicContact CG-CE2 4.38Å; F94-F113 HydrophobicContact CZ-CD2 4.31Å; F94-F113 AromaticContact CZ-CE2 3.93Å; F94-F113 HydrophobicContact CZ-CE2 3.93Å; F109-F113 WeakPolarHBondContact O-CB 3.35Å; F109-F113 PolarHBondContact O-N 3.11Å; Q111-F113 VanDerWaalsContact C-N 3.26Å; Q111-F113 PolarHBondContact O-N 3.37Å; F113-D115 VanDerWaalsContact C-N 3.25Å; F113-D115 PolarHBondContact O-N 2.83Å; F113-E116 PolarHBondContact O-N 3.16Å; F113-L118 HydrophobicContact CB-CD1 3.64Å; F113-L118 HydrophobicContact CD2-CD1 4.39Å
114	L	96.4	Very high	96.3	Very high	58 Å²	58	65.2 Å²	65.2	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-27.1	179.6	-68.9	175.9	0	0	0	113.1	F49 K52 M53 A110 Q111 E116	F49-L114 HydrophobicContact CD1-CD1 3.61Å; F49-L114 HydrophobicContact CE1-CD1 3.98Å; K52-L114 HydrophobicContact CB-CD1 4.13Å; K52-L114 HydrophobicContact CD-CD1 4.06Å; M53-L114 HydrophobicContact CG-CD1 4.28Å; M53-L114 HydrophobicContact CG-CD2 3.94Å; M53-L114 HydrophobicContact CG-CG 4.29Å; M53-L114 HydrophobicContact SD-CD1 4.1Å; M53-L114 HydrophobicContact SD-CD2 4.14Å; M53-L114 HydrophobicContact SD-CG 3.92Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 2.68Å; A110-L114 VanDerWaalsContact O-N 3.11Å; Q111-L114 PolarHBondContact O-N 2.88Å; Q111-L114 VanDerWaalsContact O-N 3.16Å; L114-E116 PolarHBondContact O-N 2.76Å
115	D	97.1	Very high	96	Very high	70 Å²	70	61.7 Å²	61.7	37%	0.374	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.3	173.1	-68.6	-2.8	0	0	0	112.6	Q111 F113 K117	Q111-D115 PolarHBondContact NE2-OD1 3.36Å; Q111-D115 WeakPolarHBondContact O-CB 3.35Å; Q111-D115 PolarHBondContact O-N 2.82Å; F113-D115 VanDerWaalsContact C-N 3.25Å; F113-D115 PolarHBondContact O-N 2.83Å; D115-K117 HydrophobicContact CB-CD 3.81Å; D115-K117 HydrophobicContact CB-CG 3.94Å; D115-K117 PolarHBondContact O-N 3.32Å; D115-K117 IonicContact OD2-NZ 2.87Å; D115-K117 PolarHBondContact OD2-NZ 2.91Å
116	E	95.4	Very high	95.6	Very high	180 Å²	180	68.4 Å²	68.4	84%	0.841	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	28.3	-177.7	-57.6	-177.7	176.9	0	0	114.1	E112 F113 L114	E112-E116 PolarHBondContact O-N 3.07Å; F113-E116 PolarHBondContact O-N 3.16Å; L114-E116 PolarHBondContact O-N 2.76Å
117	K	97	Very high	95.2	Very high	142 Å²	142	72.5 Å²	72.5	62%	0.617	36%	0.36	S	S	*	.			trans	-84.8	-16.7	-179.1	-70.1	170.3	-178.8	157.2	0	113.4	E112 D115	E112-K117 HydrophobicContact CB-CB 4.32Å; E112-K117 HydrophobicContact CG-CD 4.49Å; E112-K117 PolarHBondContact O-N 3.06Å; D115-K117 HydrophobicContact CB-CD 3.81Å; D115-K117 HydrophobicContact CB-CG 3.94Å; D115-K117 PolarHBondContact O-N 3.32Å; D115-K117 IonicContact OD2-NZ 2.87Å; D115-K117 PolarHBondContact OD2-NZ 2.91Å
118	L	96.1	Very high	94.8	Very high	35 Å²	35	74 Å²	74	18%	0.183	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-87.4	144.1	-176.3	-57.8	179.2	0	0	0	111.9	F94 F109 E112 F113	F94-L118 HydrophobicContact CB-CD1 4.43Å; F94-L118 HydrophobicContact CD1-CB 3.67Å; F94-L118 HydrophobicContact CD1-CD1 4.36Å; F94-L118 HydrophobicContact CE1-CB 4.09Å; F109-L118 HydrophobicContact CD2-CD1 3.56Å; F109-L118 HydrophobicContact CD2-CD2 4.36Å; F109-L118 HydrophobicContact CE2-CD1 3.41Å; F109-L118 VanDerWaalsContact CE2-CD1 3.41Å; F109-L118 HydrophobicContact CZ-CD1 4.49Å; E112-L118 HydrophobicContact CB-CD1 4.46Å; E112-L118 HydrophobicContact CB-CD2 3.76Å; E112-L118 HydrophobicContact CB-CG 3.93Å; F113-L118 HydrophobicContact CB-CD1 3.64Å; F113-L118 HydrophobicContact CD2-CD1 4.39Å
119	K	93	Very high	94.5	Very high	187 Å²	187	76.1 Å²	76.1	81%	0.813	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-91.1	141.6	169.9	-66.1	-178.5	-178.1	177.3	0	110.4	F94 H121	F94-K119 WeakPolarHBondContact CD1-O 3.41Å; K119-H121 PolarHBondContact O-N 3.05Å
120	P	93	Very high	94.2	Very high	53 Å²	53	80.6 Å²	80.6	34%	0.344	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-55.8	135.5	171.5	-24.8	34.2	0	0	0	111.4	Q92 K93 F94 L122	Q92-P120 HydrophobicContact CB-CB 4.48Å; Q92-P120 HydrophobicContact CG-CG 4.45Å; Q92-P120 VanDerWaalsContact NE2-CG 3.28Å; K93-P120 CarbonylContact O-C 3.53Å; K93-P120 WeakPolarHBondContact O-CA 3.32Å; F94-P120 HydrophobicContact CE1-CB 4.45Å; F94-P120 HydrophobicContact CE1-CG 4.07Å; F94-P120 HydrophobicContact CZ-CG 4.15Å; P120-L122 HydrophobicContact CB-CD2 4.47Å
121	H	94	Very high	94	Very high	63 Å²	63	83 Å²	83	29%	0.292	42%	0.417	S	S	.	.			trans	-90.8	102.4	171.7	179.7	53.6	0	0	0	108.9	K93 K95 K119	K93-H121 PolarHBondContact O-N 2.85Å; K95-H121 HydrophobicContact CB-CB 3.86Å; K119-H121 PolarHBondContact O-N 3.05Å
122	L	92.7	Very high	93.8	Very high	65 Å²	65	82.9 Å²	82.9	34%	0.34	42%	0.419	S	S	.	.			trans	-83.9	131.5	179	-56.9	175.9	0	0	0	110.6	P120 E198 E200	P120-L122 HydrophobicContact CB-CD2 4.47Å; L122-E198 HydrophobicContact CB-CB 4.28Å; L122-E198 HydrophobicContact CD2-CB 3.89Å; L122-E200 HydrophobicContact CD1-CG 3.44Å; L122-E200 VanDerWaalsContact CD1-CG 3.44Å
123	L	92.7	Very high	93.5	Very high	13 Å²	13	87.3 Å²	87.3	7%	0.068	44%	0.437	C	S	.	.			trans	-86.2	149.2	175.6	-58.5	-180	0	0	0	112.1	F71 K93 A141 A196 N197 E198	F71-L123 WeakPolarHBondContact O-CD1 3.42Å; K93-L123 HydrophobicContact CD-CD1 3.96Å; K93-L123 HydrophobicContact CD-CG 4.41Å; L123-A141 WeakPolarHBondContact O-CB 3.43Å; L123-A196 CarbonylContact C-O 3.55Å; L123-A196 WeakPolarHBondContact CB-O 3.18Å; L123-N197 CarbonylContact O-C 3.56Å; L123-N197 WeakPolarHBondContact O-CA 3.46Å; L123-E198 PolarHBondContact N-OE2 3.02Å; L123-E198 PolarHBondContact O-N 3.38Å
124	S	93.4	Very high	93.2	Very high	56 Å²	56	88.1 Å²	88.1	39%	0.392	45%	0.451	S	S	.	.			trans	-144.2	138.3	163.2	-173.7	0	0	0	0	108.3	S142	S124-S142 VanDerWaalsContact OG-CB 3.31Å; S124-S142 WeakPolarHBondContact OG-CB 3.38Å; S124-S142 PolarHBondContact OG-N 3.49Å; S124-S142 PolarHBondContact OG-OG 2.75Å
125	Q	90.5	Very high	93.1	Very high	89 Å²	89	86.4 Å²	86.4	42%	0.416	45%	0.445	S	S	.	.			trans	-79.4	167.3	168	-61.3	176.2	-71.2	0	0	110.5	L140 A196 N197	Q125-L140 HydrophobicContact CB-CD1 4.36Å; Q125-L140 HydrophobicContact CB-CD2 4.15Å; Q125-A196 VanDerWaalsContact CD-CB 3.42Å; Q125-A196 HydrophobicContact CG-CB 3.6Å; Q125-N197 PolarHBondContact N-OD1 2.86Å; Q125-N197 VanDerWaalsContact N-OD1 3.11Å; Q125-N197 PolarHBondContact OE1-ND2 3.01Å
126	D	90.4	Very high	93	Very high	154 Å²	154	83.7 Å²	83.7	82%	0.824	43%	0.431	S	S	*	.			trans	-71.2	144.4	168.5	-64	-39.1	0	0	0	110.6	P128 L140	D126-P128 VanDerWaalsContact O-CD 3.22Å; D126-P128 WeakPolarHBondContact O-CD 3.45Å; D126-L140 WeakPolarHBondContact O-CD1 3.29Å
127	L	90.3	Very high	93	Very high	86 Å²	86	77.6 Å²	77.6	45%	0.45	40%	0.402	S	S	.	.			trans	-69.5	113.2	178.8	-170.5	68.3	0	0	0	110.7	W131 L140 M143	L127-W131 HydrophobicContact CD1-CB 3.91Å; L127-W131 HydrophobicContact CD1-CD2 4.06Å; L127-W131 HydrophobicContact CD1-CG 3.6Å; L127-W131 HydrophobicContact CG-CG 4.16Å; L127-L140 HydrophobicContact CB-CD1 4.18Å; L127-L140 HydrophobicContact CD1-CD1 3.97Å; L127-L140 HydrophobicContact CD1-CG 4.4Å; L127-M143 HydrophobicContact CD1-SD 3.53Å; L127-M143 VanDerWaalsContact CD1-SD 3.53Å
128	P	89.9	Confident	93	Very high	46 Å²	46	72.7 Å²	72.7	30%	0.299	38%	0.384	S	S	.	.			trans	-76	149.4	177.5	32.5	-34.9	0	0	0	110.5	D126 D130 W131	D126-P128 VanDerWaalsContact O-CD 3.22Å; D126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-D130 WeakPolarHBondContact CB-OD1 3.43Å; P128-D130 PolarHBondContact O-N 3.12Å; P128-W131 HydrophobicContact CG-CB 3.95Å; P128-W131 WeakPolarHBondContact O-CB 3.48Å; P128-W131 VanDerWaalsContact O-CD1 3.22Å; P128-W131 PolarHBondContact O-N 3.37Å; P128-W131 VanDerWaalsContact O-N 3.15Å
129	D	92.1	Very high	93	Very high	145 Å²	145	71 Å²	71	78%	0.775	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.8	-178.7	-70.7	-28.3	0	0	0	114.3	K133	D129-K133 WeakPolarHBondContact O-CE 3.42Å; D129-K133 PolarHBondContact O-NZ 3.37Å
130	D	92.4	Very high	93.1	Very high	97 Å²	97	62.3 Å²	62.3	52%	0.519	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	10.3	-177.9	70.3	-18.3	0	0	0	113.9	P128 D132 K133	P128-D130 WeakPolarHBondContact CB-OD1 3.43Å; P128-D130 PolarHBondContact O-N 3.12Å; D130-D132 PolarHBondContact O-N 3.34Å; D130-K133 HydrophobicContact CB-CB 4.27Å; D130-K133 HydrophobicContact CB-CD 3.81Å; D130-K133 HydrophobicContact CB-CG 4.27Å; D130-K133 PolarHBondContact O-N 3.42Å
131	W	94.3	Very high	93.2	Very high	50 Å²	50	60.5 Å²	60.5	19%	0.189	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.4	-177.5	77.7	-87.8	0	0	0	113.1	L127 P128 K137 V138 L139 M143 Y147	L127-W131 HydrophobicContact CD1-CB 3.91Å; L127-W131 HydrophobicContact CD1-CD2 4.06Å; L127-W131 HydrophobicContact CD1-CG 3.6Å; L127-W131 HydrophobicContact CG-CG 4.16Å; P128-W131 HydrophobicContact CG-CB 3.95Å; P128-W131 WeakPolarHBondContact O-CB 3.48Å; P128-W131 VanDerWaalsContact O-CD1 3.22Å; P128-W131 PolarHBondContact O-N 3.37Å; P128-W131 VanDerWaalsContact O-N 3.15Å; W131-K137 CarbonylContact O-C 3.42Å; W131-K137 WeakPolarHBondContact O-CA 3.39Å; W131-V138 HydrophobicContact CB-CB 4.49Å; W131-V138 PolarHBondContact O-N 2.93Å; W131-L139 HydrophobicContact CZ3-CD2 4.25Å; W131-M143 HydrophobicContact CD2-CE 4.29Å; W131-M143 HydrophobicContact CD2-SD 4.2Å; W131-M143 HydrophobicContact CE3-CE 3.7Å; W131-M143 HydrophobicContact CE3-SD 3.87Å; W131-M143 HydrophobicContact CH2-CE 3.54Å; W131-M143 HydrophobicContact CZ2-CE 4.12Å; W131-M143 HydrophobicContact CZ3-CE 3.3Å; W131-M143 HydrophobicContact CZ3-SD 4.11Å; W131-Y147 HydrophobicContact CH2-CD2 4.03Å; W131-Y147 AromaticContact CH2-CE2 3.83Å; W131-Y147 HydrophobicContact CH2-CE2 3.83Å; W131-Y147 HydrophobicContact CZ3-CD2 4.03Å; W131-Y147 AromaticContact CZ3-CE2 3.72Å; W131-Y147 HydrophobicContact CZ3-CE2 3.72Å
132	D	93.4	Very high	93.2	Very high	72 Å²	72	61.4 Å²	61.4	39%	0.385	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	8.7	179.1	71.4	-15.3	0	0	0	115.4	D130 K137	D130-D132 PolarHBondContact O-N 3.34Å; D132-K137 HydrophobicContact CB-CD 3.88Å; D132-K137 PolarHBondContact O-NZ 2.94Å
133	K	91	Very high	93.2	Very high	152 Å²	152	59.7 Å²	59.7	66%	0.661	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-32	179.9	-69.2	179.5	-173.5	150.6	0	112.5	D129 D130	D129-K133 WeakPolarHBondContact O-CE 3.42Å; D129-K133 PolarHBondContact O-NZ 3.37Å; D130-K133 HydrophobicContact CB-CB 4.27Å; D130-K133 HydrophobicContact CB-CD 3.81Å; D130-K133 HydrophobicContact CB-CG 4.27Å; D130-K133 PolarHBondContact O-N 3.42Å
134	G	92	Very high	93.3	Very high	37 Å²	37	59 Å²	59	38%	0.381	33%	0.328	S	S	.	.	S	Bend	trans	-75.3	165.6	179	0	0	0	0	0	114.4	V136 K137	G134-V136 PolarHBondContact O-N 3.37Å; G134-K137 PolarHBondContact O-NZ 2.84Å
135	A	93.8	Very high	93.2	Very high	23 Å²	23	58.4 Å²	58.4	19%	0.19	32%	0.32	C	S	.	.	S	Bend	trans	-67.7	-27.1	170.9	0	0	0	0	0	112.5	E179 K182	A135-E179 HydrophobicContact CB-CG 4.25Å; A135-E179 WeakPolarHBondContact CB-OE1 3.31Å; A135-K182 HydrophobicContact CB-CB 4.09Å
136	V	95.7	Very high	93.2	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123	166.1	-178.9	0	0	0	0	108.6	G134 I189 K191	G134-V136 PolarHBondContact O-N 3.37Å; V136-I189 WeakPolarHBondContact CA-O 3.14Å; V136-I189 HydrophobicContact CG1-CG2 4.37Å; V136-I189 HydrophobicContact CG2-CG2 4.04Å; V136-K191 HydrophobicContact CG1-CB 4.09Å; V136-K191 HydrophobicContact CG1-CD 3.97Å; V136-K191 HydrophobicContact CG1-CG 3.79Å
137	K	95.6	Very high	93.3	Very high	52 Å²	52	52.3 Å²	52.3	23%	0.226	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.9	176.1	-51.8	-58.5	174.5	-159.5	0	110.5	W131 D132 G134 I188 I189 A190 K191	W131-K137 CarbonylContact O-C 3.42Å; W131-K137 WeakPolarHBondContact O-CA 3.39Å; D132-K137 HydrophobicContact CB-CD 3.88Å; D132-K137 PolarHBondContact O-NZ 2.94Å; G134-K137 PolarHBondContact O-NZ 2.84Å; K137-I188 HydrophobicContact CG-CG2 3.7Å; K137-I189 PolarHBondContact N-O 3.06Å; K137-A190 HydrophobicContact CB-CB 4.17Å; K137-A190 CarbonylContact O-C 3.57Å; K137-A190 WeakPolarHBondContact O-CA 3.42Å; K137-K191 PolarHBondContact O-N 2.97Å
138	V	96.7	Very high	93.3	Very high	38 Å²	38	48.2 Å²	48.2	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.4	172.7	-176.7	0	0	0	0	107.7	W131 L140 K191	W131-V138 HydrophobicContact CB-CB 4.49Å; W131-V138 PolarHBondContact O-N 2.93Å; V138-L140 HydrophobicContact CG1-CD2 4.5Å; V138-K191 WeakPolarHBondContact CA-O 3.47Å; V138-K191 HydrophobicContact CG2-CG 4.43Å
139	L	96.3	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.			trans	-96.1	148.5	177.8	-58.4	-180	0	0	0	110	W131 M143 Y147 F148 V157 A190 K191 M192	W131-L139 HydrophobicContact CZ3-CD2 4.25Å; L139-M143 HydrophobicContact CD2-CE 3.93Å; L139-M143 HydrophobicContact CD2-SD 4.28Å; L139-Y147 HydrophobicContact CD1-CD1 4.1Å; L139-Y147 HydrophobicContact CD1-CE1 4.11Å; L139-Y147 HydrophobicContact CD2-CD1 3.73Å; L139-Y147 HydrophobicContact CD2-CD2 4.09Å; L139-Y147 HydrophobicContact CD2-CE1 3.73Å; L139-Y147 HydrophobicContact CD2-CE2 4.09Å; L139-Y147 HydrophobicContact CD2-CG 3.9Å; L139-F148 HydrophobicContact CD1-CE2 3.94Å; L139-F148 HydrophobicContact CD1-CZ 4Å; L139-V157 HydrophobicContact CD1-CG1 4.44Å; L139-V157 HydrophobicContact CD1-CG2 4.01Å; L139-A190 HydrophobicContact CD1-CB 3.72Å; L139-A190 HydrophobicContact CG-CB 3.91Å; L139-K191 PolarHBondContact N-O 3.42Å; L139-M192 HydrophobicContact CB-CB 4.44Å; L139-M192 VanDerWaalsContact O-CG 3.27Å; L139-M192 WeakPolarHBondContact O-CG 3.42Å
140	L	95.6	Very high	93	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.272	C	S	.	.			trans	-124.3	160.8	175.3	-56.3	-176.5	0	0	0	110.8	Q125 D126 L127 V138 S142 M143 F144 N197	Q125-L140 HydrophobicContact CB-CD1 4.36Å; Q125-L140 HydrophobicContact CB-CD2 4.15Å; D126-L140 WeakPolarHBondContact O-CD1 3.29Å; L127-L140 HydrophobicContact CB-CD1 4.18Å; L127-L140 HydrophobicContact CD1-CD1 3.97Å; L127-L140 HydrophobicContact CD1-CG 4.4Å; V138-L140 HydrophobicContact CG1-CD2 4.5Å; L140-S142 PolarHBondContact O-N 2.99Å; L140-M143 HydrophobicContact CB-CG 4.26Å; L140-M143 VanDerWaalsContact O-CG 3.31Å; L140-M143 WeakPolarHBondContact O-CG 3.47Å; L140-M143 PolarHBondContact O-N 3.42Å; L140-F144 WeakPolarHBondContact O-CB 3.4Å; L140-F144 PolarHBondContact O-N 2.88Å; L140-F144 VanDerWaalsContact O-N 3.08Å; L140-N197 WeakPolarHBondContact CA-OD1 3.21Å; L140-N197 WeakPolarHBondContact CB-OD1 3.14Å; L140-N197 WeakPolarHBondContact CD2-OD1 3.44Å
141	A	94.8	Very high	92.8	Very high	15 Å²	15	48.2 Å²	48.2	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-42.9	-177.2	0	0	0	0	0	112.1	L123 M143 F144 N197 E198 L199	L123-A141 WeakPolarHBondContact O-CB 3.43Å; A141-M143 PolarHBondContact O-N 2.76Å; A141-F144 WeakPolarHBondContact O-CB 2.85Å; A141-F144 PolarHBondContact O-N 3.17Å; A141-N197 HydrophobicContact CB-CB 3.89Å; A141-N197 PolarHBondContact N-OD1 3.3Å; A141-E198 WeakPolarHBondContact CB-O 3.21Å; A141-L199 HydrophobicContact CB-CD2 3.94Å
142	S	93.7	Very high	92.6	Very high	83 Å²	83	53.1 Å²	53.1	58%	0.58	28%	0.277	S	S	*	.	H	α-helix	trans	-56.1	-33.9	179.3	58.3	0	0	0	0	114.1	S124 L140	S124-S142 VanDerWaalsContact OG-CB 3.31Å; S124-S142 WeakPolarHBondContact OG-CB 3.38Å; S124-S142 PolarHBondContact OG-N 3.49Å; S124-S142 PolarHBondContact OG-OG 2.75Å; L140-S142 PolarHBondContact O-N 2.99Å
143	M	93.5	Very high	92.3	Very high	28 Å²	28	52.5 Å²	52.5	14%	0.138	27%	0.271	C	S	.	.	H	α-helix	trans	-100.3	-14.1	-177	71.2	168.8	-69.2	0	0	113.9	L127 W131 L139 L140 A141 N145 D146 Y147	L127-M143 HydrophobicContact CD1-SD 3.53Å; L127-M143 VanDerWaalsContact CD1-SD 3.53Å; W131-M143 HydrophobicContact CD2-CE 4.29Å; W131-M143 HydrophobicContact CD2-SD 4.2Å; W131-M143 HydrophobicContact CE3-CE 3.7Å; W131-M143 HydrophobicContact CE3-SD 3.87Å; W131-M143 HydrophobicContact CH2-CE 3.54Å; W131-M143 HydrophobicContact CZ2-CE 4.12Å; W131-M143 HydrophobicContact CZ3-CE 3.3Å; W131-M143 HydrophobicContact CZ3-SD 4.11Å; L139-M143 HydrophobicContact CD2-CE 3.93Å; L139-M143 HydrophobicContact CD2-SD 4.28Å; L140-M143 HydrophobicContact CB-CG 4.26Å; L140-M143 VanDerWaalsContact O-CG 3.31Å; L140-M143 WeakPolarHBondContact O-CG 3.47Å; L140-M143 PolarHBondContact O-N 3.42Å; A141-M143 PolarHBondContact O-N 2.76Å; M143-N145 PolarHBondContact O-N 3.37Å; M143-D146 PolarHBondContact O-N 3.23Å; M143-Y147 HydrophobicContact CE-CD2 3.44Å; M143-Y147 VanDerWaalsContact CE-CD2 3.44Å; M143-Y147 HydrophobicContact CE-CE2 4.26Å; M143-Y147 HydrophobicContact CE-CG 3.83Å; M143-Y147 VanDerWaalsContact O-CB 3.32Å; M143-Y147 WeakPolarHBondContact O-CB 3.1Å; M143-Y147 PolarHBondContact O-N 2.92Å
144	F	94.3	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53	-55.8	-165.3	-171.4	-91.1	0	0	0	112.1	L140 A141 D146 Y147 F148 F159 M192 L199 E201 V202 F213	L140-F144 WeakPolarHBondContact O-CB 3.4Å; L140-F144 PolarHBondContact O-N 2.88Å; L140-F144 VanDerWaalsContact O-N 3.08Å; A141-F144 WeakPolarHBondContact O-CB 2.85Å; A141-F144 PolarHBondContact O-N 3.17Å; F144-D146 PolarHBondContact O-N 3.03Å; F144-Y147 WeakPolarHBondContact O-CB 2.93Å; F144-Y147 PolarHBondContact O-N 2.93Å; F144-F148 AromaticContact CD1-CD2 3.79Å; F144-F148 HydrophobicContact CD1-CD2 3.79Å; F144-F148 HydrophobicContact CD1-CE2 4.1Å; F144-F148 HydrophobicContact CD2-CD2 4.14Å; F144-F148 AromaticContact CD2-CE2 3.66Å; F144-F148 HydrophobicContact CD2-CE2 3.66Å; F144-F148 AromaticContact CE1-CD2 3.62Å; F144-F148 HydrophobicContact CE1-CD2 3.62Å; F144-F148 AromaticContact CE1-CE2 3.76Å; F144-F148 HydrophobicContact CE1-CE2 3.76Å; F144-F148 HydrophobicContact CE2-CD2 4.02Å; F144-F148 AromaticContact CE2-CE2 3.31Å; F144-F148 HydrophobicContact CE2-CE2 3.31Å; F144-F148 HydrophobicContact CE2-CZ 4.18Å; F144-F148 HydrophobicContact CG-CD2 4.04Å; F144-F148 HydrophobicContact CG-CE2 4.05Å; F144-F148 AromaticContact CZ-CD2 3.74Å; F144-F148 HydrophobicContact CZ-CD2 3.74Å; F144-F148 AromaticContact CZ-CE2 3.35Å; F144-F148 HydrophobicContact CZ-CE2 3.35Å; F144-F148 HydrophobicContact CZ-CZ 4.18Å; F144-F148 WeakPolarHBondContact O-CD2 3.03Å; F144-F148 PolarHBondContact O-N 3.29Å; F144-F148 VanDerWaalsContact O-N 3.07Å; F144-F159 HydrophobicContact CE2-CE1 4.04Å; F144-F159 AromaticContact CE2-CZ 3.85Å; F144-F159 HydrophobicContact CE2-CZ 3.85Å; F144-F159 HydrophobicContact CZ-CZ 4.08Å; F144-M192 HydrophobicContact CD2-SD 3.95Å; F144-M192 HydrophobicContact CE2-SD 4.29Å; F144-L199 HydrophobicContact CB-CD1 4.36Å; F144-L199 HydrophobicContact CB-CD2 3.73Å; F144-L199 HydrophobicContact CD1-CD1 3.63Å; F144-L199 HydrophobicContact CD1-CD2 4Å; F144-L199 HydrophobicContact CD1-CG 4.48Å; F144-L199 HydrophobicContact CD2-CD1 3.52Å; F144-L199 HydrophobicContact CD2-CD2 4.42Å; F144-L199 HydrophobicContact CE1-CD1 3.65Å; F144-L199 HydrophobicContact CE2-CD1 3.51Å; F144-L199 HydrophobicContact CG-CD1 3.58Å; F144-L199 HydrophobicContact CG-CD2 3.81Å; F144-L199 HydrophobicContact CG-CG 4.37Å; F144-L199 HydrophobicContact CZ-CD1 3.58Å; F144-E201 WeakPolarHBondContact CD1-OE1 3.44Å; F144-E201 HydrophobicContact CE1-CG 4.47Å; F144-V202 HydrophobicContact CE1-CG2 4.4Å; F144-V202 HydrophobicContact CZ-CG2 4.13Å; F144-F213 HydrophobicContact CE1-CE1 4.13Å; F144-F213 HydrophobicContact CE1-CZ 4.43Å; F144-F213 HydrophobicContact CE2-CZ 4.47Å; F144-F213 AromaticContact CZ-CE1 3.71Å; F144-F213 HydrophobicContact CZ-CE1 3.71Å; F144-F213 HydrophobicContact CZ-CE2 4.32Å; F144-F213 AromaticContact CZ-CZ 3.59Å; F144-F213 HydrophobicContact CZ-CZ 3.59Å
145	N	90.4	Very high	92.3	Very high	43 Å²	43	44 Å²	44	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-43.4	-176.5	-90.4	-61.8	0	0	0	113	M143 K149 E201 R218	M143-N145 PolarHBondContact O-N 3.37Å; N145-K149 VanDerWaalsContact O-CG 3.28Å; N145-K149 WeakPolarHBondContact O-CG 3.16Å; N145-K149 PolarHBondContact O-N 2.93Å; N145-E201 PolarHBondContact ND2-OE1 3.06Å; N145-E201 PolarHBondContact OD1-OE1 3.17Å; N145-R218 VanDerWaalsContact OD1-CD 3.26Å; N145-R218 WeakPolarHBondContact OD1-CD 3.26Å
146	D	91.3	Very high	92.2	Very high	78 Å²	78	43 Å²	43	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-75.7	-32.7	-178.4	-75.7	-8	0	0	0	112.5	M143 F144 K149 K150	M143-D146 PolarHBondContact O-N 3.23Å; F144-D146 PolarHBondContact O-N 3.03Å; D146-K149 IonicContact OD1-NZ 3.3Å; D146-K149 PolarHBondContact OD1-NZ 3.43Å; D146-K150 WeakPolarHBondContact O-CB 3.35Å; D146-K150 WeakPolarHBondContact O-CG 3.3Å; D146-K150 PolarHBondContact O-N 2.92Å
147	Y	92.1	Very high	92.1	Very high	36 Å²	36	42.3 Å²	42.3	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-50.4	171.5	-175.6	-99.6	0	0	0	110.9	W131 L139 M143 F144 K149 K150 A151 V155 I188	W131-Y147 HydrophobicContact CH2-CD2 4.03Å; W131-Y147 AromaticContact CH2-CE2 3.83Å; W131-Y147 HydrophobicContact CH2-CE2 3.83Å; W131-Y147 HydrophobicContact CZ3-CD2 4.03Å; W131-Y147 AromaticContact CZ3-CE2 3.72Å; W131-Y147 HydrophobicContact CZ3-CE2 3.72Å; L139-Y147 HydrophobicContact CD1-CD1 4.1Å; L139-Y147 HydrophobicContact CD1-CE1 4.11Å; L139-Y147 HydrophobicContact CD2-CD1 3.73Å; L139-Y147 HydrophobicContact CD2-CD2 4.09Å; L139-Y147 HydrophobicContact CD2-CE1 3.73Å; L139-Y147 HydrophobicContact CD2-CE2 4.09Å; L139-Y147 HydrophobicContact CD2-CG 3.9Å; M143-Y147 HydrophobicContact CE-CD2 3.44Å; M143-Y147 VanDerWaalsContact CE-CD2 3.44Å; M143-Y147 HydrophobicContact CE-CE2 4.26Å; M143-Y147 HydrophobicContact CE-CG 3.83Å; M143-Y147 VanDerWaalsContact O-CB 3.32Å; M143-Y147 WeakPolarHBondContact O-CB 3.1Å; M143-Y147 PolarHBondContact O-N 2.92Å; F144-Y147 WeakPolarHBondContact O-CB 2.93Å; F144-Y147 PolarHBondContact O-N 2.93Å; Y147-K149 PolarHBondContact O-N 2.74Å; Y147-K150 PolarHBondContact O-N 2.84Å; Y147-A151 WeakPolarHBondContact O-CB 3.42Å; Y147-A151 PolarHBondContact O-N 3.17Å; Y147-V155 HydrophobicContact CE1-CG1 4.27Å; Y147-V155 HydrophobicContact CE1-CG2 3.98Å; Y147-I188 WeakPolarHBondContact OH-CG2 3.41Å
148	F	90.3	Very high	92.1	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-33.9	-178.2	-80.5	-71.7	0	0	0	114.4	L139 F144 K150 V155 V157 F213 G216 R218	L139-F148 HydrophobicContact CD1-CE2 3.94Å; L139-F148 HydrophobicContact CD1-CZ 4Å; F144-F148 AromaticContact CD1-CD2 3.79Å; F144-F148 HydrophobicContact CD1-CD2 3.79Å; F144-F148 HydrophobicContact CD1-CE2 4.1Å; F144-F148 HydrophobicContact CD2-CD2 4.14Å; F144-F148 AromaticContact CD2-CE2 3.66Å; F144-F148 HydrophobicContact CD2-CE2 3.66Å; F144-F148 AromaticContact CE1-CD2 3.62Å; F144-F148 HydrophobicContact CE1-CD2 3.62Å; F144-F148 AromaticContact CE1-CE2 3.76Å; F144-F148 HydrophobicContact CE1-CE2 3.76Å; F144-F148 HydrophobicContact CE2-CD2 4.02Å; F144-F148 AromaticContact CE2-CE2 3.31Å; F144-F148 HydrophobicContact CE2-CE2 3.31Å; F144-F148 HydrophobicContact CE2-CZ 4.18Å; F144-F148 HydrophobicContact CG-CD2 4.04Å; F144-F148 HydrophobicContact CG-CE2 4.05Å; F144-F148 AromaticContact CZ-CD2 3.74Å; F144-F148 HydrophobicContact CZ-CD2 3.74Å; F144-F148 AromaticContact CZ-CE2 3.35Å; F144-F148 HydrophobicContact CZ-CE2 3.35Å; F144-F148 HydrophobicContact CZ-CZ 4.18Å; F144-F148 WeakPolarHBondContact O-CD2 3.03Å; F144-F148 PolarHBondContact O-N 3.29Å; F144-F148 VanDerWaalsContact O-N 3.07Å; F148-K150 VanDerWaalsContact C-N 3.3Å; F148-K150 PolarHBondContact O-N 2.8Å; F148-V155 HydrophobicContact CD1-CG2 4.23Å; F148-V155 HydrophobicContact CE1-CB 3.61Å; F148-V155 HydrophobicContact CE1-CG1 4.25Å; F148-V155 HydrophobicContact CE1-CG2 3.56Å; F148-V155 HydrophobicContact CZ-CB 4.06Å; F148-V155 HydrophobicContact CZ-CG1 4.21Å; F148-V155 HydrophobicContact CZ-CG2 4.26Å; F148-V157 HydrophobicContact CZ-CG2 3.73Å; F148-F213 HydrophobicContact CD1-CB 3.63Å; F148-F213 HydrophobicContact CD1-CD1 4Å; F148-F213 AromaticContact CD1-CG 3.89Å; F148-F213 HydrophobicContact CD1-CG 3.89Å; F148-F213 HydrophobicContact CE1-CB 3.23Å; F148-F213 AromaticContact CE1-CD1 3.84Å; F148-F213 HydrophobicContact CE1-CD1 3.84Å; F148-F213 AromaticContact CE1-CD2 3.79Å; F148-F213 HydrophobicContact CE1-CD2 3.79Å; F148-F213 AromaticContact CE1-CG 3.35Å; F148-F213 HydrophobicContact CE1-CG 3.35Å; F148-F213 HydrophobicContact CG-CD1 4.44Å; F148-F213 HydrophobicContact CZ-CB 4.13Å; F148-F213 HydrophobicContact CZ-CD1 4.15Å; F148-F213 AromaticContact CZ-CD2 3.81Å; F148-F213 HydrophobicContact CZ-CD2 3.81Å; F148-F213 HydrophobicContact CZ-CE2 4.25Å; F148-F213 AromaticContact CZ-CG 3.77Å; F148-F213 HydrophobicContact CZ-CG 3.77Å; F148-G216 CarbonylContact O-C 3.6Å; F148-G216 WeakPolarHBondContact O-CA 3.39Å; F148-R218 HydrophobicContact CB-CB 4.27Å
149	K	87.5	Confident	92	Very high	119 Å²	119	38.3 Å²	38.3	52%	0.517	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-38.7	173.4	-71.8	170.3	-161.4	159.3	0	112	N145 D146 Y147	N145-K149 VanDerWaalsContact O-CG 3.28Å; N145-K149 WeakPolarHBondContact O-CG 3.16Å; N145-K149 PolarHBondContact O-N 2.93Å; D146-K149 IonicContact OD1-NZ 3.3Å; D146-K149 PolarHBondContact OD1-NZ 3.43Å; Y147-K149 PolarHBondContact O-N 2.74Å
150	K	89	Confident	91.9	Very high	158 Å²	158	40.7 Å²	40.7	69%	0.687	20%	0.201	S	C	*	.	H	α-helix	trans	-91.2	-12.4	-176.5	-63.8	172.2	-174.3	170.8	0	113.1	D146 Y147 F148 E152	D146-K150 WeakPolarHBondContact O-CB 3.35Å; D146-K150 WeakPolarHBondContact O-CG 3.3Å; D146-K150 PolarHBondContact O-N 2.92Å; Y147-K150 PolarHBondContact O-N 2.84Å; F148-K150 VanDerWaalsContact C-N 3.3Å; F148-K150 PolarHBondContact O-N 2.8Å; K150-E152 PolarHBondContact O-N 3.09Å; K150-E152 VanDerWaalsContact O-N 3.12Å
151	A	88	Confident	91.6	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	20%	0.2	C	C	.	.			trans	-59.8	116.1	-177.5	0	0	0	0	0	111.2	Y147 K153 V155 K215 G216	Y147-A151 WeakPolarHBondContact O-CB 3.42Å; Y147-A151 PolarHBondContact O-N 3.17Å; A151-K153 VanDerWaalsContact C-N 3.26Å; A151-K153 PolarHBondContact O-N 3.22Å; A151-V155 HydrophobicContact CB-CG2 4.2Å; A151-K215 VanDerWaalsContact O-CG 3.31Å; A151-K215 WeakPolarHBondContact O-CG 3.47Å; A151-G216 PolarHBondContact O-N 3.07Å
152	E	88.9	Confident	91.2	Very high	153 Å²	153	41.7 Å²	41.7	72%	0.715	21%	0.206	S	C	*	.	S	Bend	trans	-83	-5.8	177.9	-61	-166.2	153	0	0	113.8	K150 K215	K150-E152 PolarHBondContact O-N 3.09Å; K150-E152 VanDerWaalsContact O-N 3.12Å; E152-K215 WeakPolarHBondContact O-CD 3.08Å; E152-K215 VanDerWaalsContact O-CE 3.26Å; E152-K215 WeakPolarHBondContact O-CE 3.22Å; E152-K215 PolarHBondContact O-NZ 2.79Å
153	K	88.8	Confident	90.6	Very high	59 Å²	59	44 Å²	44	26%	0.257	20%	0.202	S	C	.	.	S	Bend	trans	-129.9	154	179.5	-58.3	179.6	-167.9	174.5	0	109	A151 G184 I188	A151-K153 VanDerWaalsContact C-N 3.26Å; A151-K153 PolarHBondContact O-N 3.22Å; K153-G184 PolarHBondContact NZ-O 3.15Å; K153-I188 HydrophobicContact CB-CD1 4.06Å; K153-I188 HydrophobicContact CB-CG1 4.04Å; K153-I188 HydrophobicContact CD-CD1 4.35Å; K153-I188 HydrophobicContact CD-CG1 3.99Å
154	P	90	Very high	90.1	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.065	20%	0.2	C	C	.	.			trans	-56.3	152	162.8	-17.7	28.8	0	0	0	111.3	K186 V187 I188 Y212 F213	P154-K186 WeakPolarHBondContact CD-O 3.48Å; P154-V187 CarbonylContact O-C 3.53Å; P154-V187 WeakPolarHBondContact O-CA 3.32Å; P154-I188 PolarHBondContact O-N 3.01Å; P154-Y212 HydrophobicContact CB-CE1 4.43Å; P154-Y212 HydrophobicContact CB-CE2 3.6Å; P154-Y212 VanDerWaalsContact CB-CZ 3.48Å; P154-Y212 WeakPolarHBondContact CB-OH 3.43Å; P154-Y212 VanDerWaalsContact CG-OH 3.27Å; P154-Y212 WeakPolarHBondContact CG-OH 3.31Å; P154-F213 CarbonylContact C-O 3.39Å; P154-F213 WeakPolarHBondContact CA-O 3.45Å; P154-F213 WeakPolarHBondContact CB-O 3.43Å
155	V	92	Very high	89.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	179.2	-165.4	0	0	0	0	108.7	Y147 F148 A151 V157 I188 A190 F213	Y147-V155 HydrophobicContact CE1-CG1 4.27Å; Y147-V155 HydrophobicContact CE1-CG2 3.98Å; F148-V155 HydrophobicContact CD1-CG2 4.23Å; F148-V155 HydrophobicContact CE1-CB 3.61Å; F148-V155 HydrophobicContact CE1-CG1 4.25Å; F148-V155 HydrophobicContact CE1-CG2 3.56Å; F148-V155 HydrophobicContact CZ-CB 4.06Å; F148-V155 HydrophobicContact CZ-CG1 4.21Å; F148-V155 HydrophobicContact CZ-CG2 4.26Å; A151-V155 HydrophobicContact CB-CG2 4.2Å; V155-V157 HydrophobicContact CG1-CG2 3.97Å; V155-I188 CarbonylContact C-O 3.53Å; V155-I188 VanDerWaalsContact CA-O 3.3Å; V155-I188 WeakPolarHBondContact CA-O 3.4Å; V155-I188 HydrophobicContact CB-CB 4.44Å; V155-I188 HydrophobicContact CG1-CB 4.06Å; V155-I188 HydrophobicContact CG1-CG2 4.15Å; V155-I188 WeakPolarHBondContact CG1-O 3.49Å; V155-I188 HydrophobicContact CG2-CB 4.28Å; V155-I188 HydrophobicContact CG2-CD1 4.49Å; V155-A190 HydrophobicContact CG1-CB 3.77Å; V155-F213 PolarHBondContact N-O 3.49Å; V155-F213 PolarHBondContact O-N 2.9Å
156	L	92.3	Very high	89.4	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.5	169.9	-171.7	77.4	0	0	0	108.3	W174 L177 V187 I188 I189 A190 I210 Y212 L236	L156-W174 HydrophobicContact CD2-CH2 3.4Å; L156-W174 VanDerWaalsContact CD2-CH2 3.4Å; L156-W174 HydrophobicContact CD2-CZ2 4.1Å; L156-W174 HydrophobicContact CD2-CZ3 4.05Å; L156-W174 HydrophobicContact CG-CH2 3.72Å; L156-W174 HydrophobicContact CG-CZ2 4.17Å; L156-L177 HydrophobicContact CD2-CD2 3.96Å; L156-V187 HydrophobicContact CB-CG2 4.15Å; L156-I188 PolarHBondContact N-O 2.97Å; L156-I189 HydrophobicContact CB-CD1 4.1Å; L156-I189 HydrophobicContact CD2-CD1 4.21Å; L156-A190 PolarHBondContact O-N 2.8Å; L156-I210 HydrophobicContact CD1-CG2 3.67Å; L156-I210 HydrophobicContact CD2-CG2 4.45Å; L156-I210 HydrophobicContact CG-CG2 4Å; L156-Y212 HydrophobicContact CD1-CD2 4.22Å; L156-L236 HydrophobicContact CD1-CD2 3.95Å; L156-L236 HydrophobicContact CD2-CD1 3.27Å; L156-L236 HydrophobicContact CD2-CD2 3.84Å; L156-L236 HydrophobicContact CD2-CG 4.19Å
157	V	94.3	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.6	-175.3	-169.7	0	0	0	0	109.8	L139 F148 V155 F159 A190 M192 I210 M211 F213	L139-V157 HydrophobicContact CD1-CG1 4.44Å; L139-V157 HydrophobicContact CD1-CG2 4.01Å; F148-V157 HydrophobicContact CZ-CG2 3.73Å; V155-V157 HydrophobicContact CG1-CG2 3.97Å; V157-F159 HydrophobicContact CB-CE2 3.95Å; V157-F159 HydrophobicContact CB-CZ 4.18Å; V157-F159 HydrophobicContact CG1-CD1 4.42Å; V157-F159 HydrophobicContact CG1-CD2 4.23Å; V157-F159 HydrophobicContact CG1-CE1 4.09Å; V157-F159 HydrophobicContact CG1-CE2 3.88Å; V157-F159 HydrophobicContact CG1-CG 4.49Å; V157-F159 HydrophobicContact CG1-CZ 3.8Å; V157-A190 WeakPolarHBondContact CA-O 3.41Å; V157-A190 HydrophobicContact CG2-CB 4.2Å; V157-M192 HydrophobicContact CG1-CB 4.34Å; V157-I210 WeakPolarHBondContact O-CA 3.45Å; V157-M211 PolarHBondContact N-O 2.84Å; V157-M211 PolarHBondContact O-N 2.96Å; V157-F213 HydrophobicContact CB-CD2 4.47Å; V157-F213 HydrophobicContact CB-CE2 4.04Å; V157-F213 HydrophobicContact CG2-CD2 3.73Å; V157-F213 HydrophobicContact CG2-CE2 3.65Å
158	E	94.7	Very high	89.2	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.8	161.5	-177.8	-167.4	-175.2	0	0	109.3	L170 W174 A190 K191 M192 P208	E158-L170 HydrophobicContact CG-CD2 4.22Å; E158-L170 WeakPolarHBondContact OE1-CD2 3.38Å; E158-W174 HydrophobicContact CB-CD2 4.03Å; E158-W174 HydrophobicContact CB-CH2 4.1Å; E158-W174 HydrophobicContact CB-CZ2 3.55Å; E158-A190 PolarHBondContact N-O 3.31Å; E158-K191 HydrophobicContact CB-CB 4.34Å; E158-K191 CarbonylContact O-C 3.55Å; E158-K191 WeakPolarHBondContact O-CA 3.48Å; E158-M192 PolarHBondContact O-N 2.73Å; E158-P208 HydrophobicContact CG-CB 4.07Å
159	F	94.6	Very high	89.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.8	164.6	-59.4	-86.9	0	0	0	108.6	F144 V157 M192 A194 L199 V202 I204 P208 K209 M211 F213	F144-F159 HydrophobicContact CE2-CE1 4.04Å; F144-F159 AromaticContact CE2-CZ 3.85Å; F144-F159 HydrophobicContact CE2-CZ 3.85Å; F144-F159 HydrophobicContact CZ-CZ 4.08Å; V157-F159 HydrophobicContact CB-CE2 3.95Å; V157-F159 HydrophobicContact CB-CZ 4.18Å; V157-F159 HydrophobicContact CG1-CD1 4.42Å; V157-F159 HydrophobicContact CG1-CD2 4.23Å; V157-F159 HydrophobicContact CG1-CE1 4.09Å; V157-F159 HydrophobicContact CG1-CE2 3.88Å; V157-F159 HydrophobicContact CG1-CG 4.49Å; V157-F159 HydrophobicContact CG1-CZ 3.8Å; F159-M192 WeakPolarHBondContact CA-O 3.1Å; F159-M192 HydrophobicContact CD1-CB 3.99Å; F159-M192 HydrophobicContact CD1-CE 3.67Å; F159-M192 HydrophobicContact CD1-CG 4.3Å; F159-M192 HydrophobicContact CD1-SD 4.11Å; F159-M192 HydrophobicContact CE1-CB 4.22Å; F159-M192 HydrophobicContact CE1-CE 3.5Å; F159-M192 VanDerWaalsContact CE1-CE 3.5Å; F159-M192 HydrophobicContact CE1-CG 4.43Å; F159-M192 HydrophobicContact CE1-SD 3.7Å; F159-A194 HydrophobicContact CB-CB 3.96Å; F159-A194 HydrophobicContact CD1-CB 4.26Å; F159-L199 HydrophobicContact CE1-CD1 4.15Å; F159-V202 HydrophobicContact CD1-CG1 4.44Å; F159-V202 HydrophobicContact CD2-CG1 4.35Å; F159-V202 HydrophobicContact CE1-CG1 4.06Å; F159-V202 HydrophobicContact CE2-CG1 3.97Å; F159-V202 HydrophobicContact CZ-CB 4.4Å; F159-V202 HydrophobicContact CZ-CG1 3.81Å; F159-V202 HydrophobicContact CZ-CG2 4.1Å; F159-I204 HydrophobicContact CB-CD1 3.58Å; F159-I204 HydrophobicContact CB-CG1 4.42Å; F159-I204 HydrophobicContact CD1-CD1 3.71Å; F159-I204 HydrophobicContact CG-CD1 3.71Å; F159-P208 WeakPolarHBondContact O-CA 3.34Å; F159-K209 HydrophobicContact CB-CB 4.35Å; F159-K209 WeakPolarHBondContact CD2-O 3.47Å; F159-K209 PolarHBondContact N-O 3.11Å; F159-K209 PolarHBondContact O-N 3.38Å; F159-M211 HydrophobicContact CD2-CG 4.29Å; F159-M211 HydrophobicContact CD2-SD 4.28Å; F159-M211 HydrophobicContact CE2-CB 4Å; F159-M211 HydrophobicContact CE2-CG 3.94Å; F159-M211 HydrophobicContact CE2-SD 3.74Å; F159-F213 HydrophobicContact CE2-CE2 4.16Å; F159-F213 HydrophobicContact CE2-CZ 4.26Å; F159-F213 HydrophobicContact CZ-CE2 4.25Å; F159-F213 HydrophobicContact CZ-CZ 4.1Å
160	Y	93.8	Very high	89.2	Confident	51 Å²	51	51.5 Å²	51.5	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	167.5	-172	73.2	-80.4	0	0	0	111.9	P162 C167 K191 M192 D193 A194	Y160-P162 HydrophobicContact CD2-CG 4.39Å; Y160-P162 HydrophobicContact CE2-CG 3.93Å; Y160-C167 VanDerWaalsContact CB-SG 3.59Å; Y160-K191 HydrophobicContact CD1-CB 4.08Å; Y160-K191 HydrophobicContact CE1-CB 3.93Å; Y160-K191 HydrophobicContact CE1-CD 4.06Å; Y160-K191 HydrophobicContact CE1-CG 3.96Å; Y160-M192 VanDerWaalsContact CD1-C 3.47Å; Y160-M192 WeakPolarHBondContact CD1-O 3.31Å; Y160-M192 PolarHBondContact N-O 3.49Å; Y160-D193 HydrophobicContact CE1-CB 4.21Å; Y160-D193 VanDerWaalsContact CE1-N 3.3Å; Y160-D193 HydrophobicContact CE2-CB 4.35Å; Y160-A194 PolarHBondContact O-N 2.81Å
161	A	89.6	Confident	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.			trans	-123.1	130.5	166.7	0	0	0	0	0	108.6	W163 C164 T195 F207	A161-W163 HydrophobicContact CB-CD2 4.17Å; A161-W163 HydrophobicContact CB-CH2 4.32Å; A161-W163 HydrophobicContact CB-CZ2 3.84Å; A161-W163 PolarHBondContact O-N 3.19Å; A161-W163 VanDerWaalsContact O-N 3.11Å; A161-C164 HydrophobicContact CB-CB 4.07Å; A161-C164 WeakPolarHBondContact O-CB 3.27Å; A161-C164 PolarHBondContact O-N 3.35Å; A161-T195 HydrophobicContact CB-CG2 3.54Å; A161-F207 HydrophobicContact CB-CB 4.34Å; A161-F207 HydrophobicContact CB-CD1 4.05Å; A161-F207 HydrophobicContact CB-CD2 3.64Å; A161-F207 HydrophobicContact CB-CE1 4.23Å; A161-F207 HydrophobicContact CB-CE2 3.85Å; A161-F207 HydrophobicContact CB-CG 3.75Å; A161-F207 HydrophobicContact CB-CZ 4.14Å
162	P	86.7	Confident	89.6	Confident	40 Å²	40	48.7 Å²	48.7	26%	0.26	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.8	-172.8	-27.4	36.7	0	0	0	115	R67 Y160 K168 D193	R67-P162 VanDerWaalsContact NH2-CB 3.33Å; Y160-P162 HydrophobicContact CD2-CG 4.39Å; Y160-P162 HydrophobicContact CE2-CG 3.93Å; P162-K168 WeakPolarHBondContact O-CE 3.3Å; P162-D193 VanDerWaalsContact CD-OD2 3.3Å; P162-D193 WeakPolarHBondContact CD-OD2 3.47Å; P162-D193 WeakPolarHBondContact CG-OD2 3.38Å
163	W	80.6	Confident	89.6	Confident	131 Å²	131	44.7 Å²	44.7	50%	0.496	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.4	176.1	48	-100	0	0	0	113.4	A161 G165 T195 F207	A161-W163 HydrophobicContact CB-CD2 4.17Å; A161-W163 HydrophobicContact CB-CH2 4.32Å; A161-W163 HydrophobicContact CB-CZ2 3.84Å; A161-W163 PolarHBondContact O-N 3.19Å; A161-W163 VanDerWaalsContact O-N 3.11Å; W163-G165 PolarHBondContact O-N 2.87Å; W163-T195 HydrophobicContact CZ2-CG2 4.32Å; W163-F207 HydrophobicContact CH2-CD2 4.33Å; W163-F207 HydrophobicContact CH2-CE2 4.46Å; W163-F207 HydrophobicContact CZ2-CE2 4.45Å
164	C	83.5	Confident	89.8	Confident	13 Å²	13	42 Å²	42	9%	0.088	22%	0.218	C	C	.	.			trans	-74.2	120.4	-177.5	177.4	0	0	0	0	111.4	A161 H166 C167 K168 F207	A161-C164 HydrophobicContact CB-CB 4.07Å; A161-C164 WeakPolarHBondContact O-CB 3.27Å; A161-C164 PolarHBondContact O-N 3.35Å; C164-H166 VanDerWaalsContact C-N 3.31Å; C164-H166 PolarHBondContact O-N 2.99Å; C164-C167 HydrophobicContact CB-CB 3.9Å; C164-C167 WeakPolarHBondContact O-CB 3.11Å; C164-C167 PolarHBondContact O-N 2.88Å; C164-C167 VanDerWaalsContact O-N 3.17Å; C164-C167 VanDerWaalsContact SG-SG 3.65Å; C164-K168 WeakPolarHBondContact O-CG 3.47Å; C164-K168 PolarHBondContact O-N 3.23Å; C164-F207 HydrophobicContact CB-CB 4.15Å
165	G	84.2	Confident	89.9	Confident	42 Å²	42	45 Å²	45	43%	0.433	23%	0.233	S	C	.	.	H	α-helix	trans	-58.2	-39.3	178	0	0	0	0	0	113.5	W163 K168 Q169	W163-G165 PolarHBondContact O-N 2.87Å; G165-K168 PolarHBondContact O-N 3.15Å; G165-Q169 WeakPolarHBondContact O-CG 3.21Å; G165-Q169 PolarHBondContact O-N 3.33Å
166	H	86.1	Confident	89.8	Confident	121 Å²	121	52.1 Å²	52.1	56%	0.56	26%	0.264	S	S	*	.	H	α-helix	trans	-65.9	-39.1	176.6	-59.7	138.6	0	0	0	112.4	C164 Q169 L170	C164-H166 VanDerWaalsContact C-N 3.31Å; C164-H166 PolarHBondContact O-N 2.99Å; H166-Q169 PolarHBondContact O-N 2.93Å; H166-L170 WeakPolarHBondContact O-CB 3.41Å; H166-L170 PolarHBondContact O-N 3.14Å
167	C	88.8	Confident	89.6	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.034	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-44.8	174.2	-65.1	0	0	0	0	111.5	Y160 C164 Q169 L170 A171	Y160-C167 VanDerWaalsContact CB-SG 3.59Å; C164-C167 HydrophobicContact CB-CB 3.9Å; C164-C167 WeakPolarHBondContact O-CB 3.11Å; C164-C167 PolarHBondContact O-N 2.88Å; C164-C167 VanDerWaalsContact O-N 3.17Å; C164-C167 VanDerWaalsContact SG-SG 3.65Å; C167-Q169 VanDerWaalsContact C-N 3.27Å; C167-Q169 PolarHBondContact O-N 3.49Å; C167-L170 PolarHBondContact O-N 2.91Å; C167-A171 PolarHBondContact O-N 3.35Å
168	K	90	Very high	89.5	Confident	134 Å²	134	52.2 Å²	52.2	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-59	-38.8	176.8	-69.2	-178.8	-178	-176.7	0	112.1	P162 C164 G165 P172	P162-K168 WeakPolarHBondContact O-CE 3.3Å; C164-K168 WeakPolarHBondContact O-CG 3.47Å; C164-K168 PolarHBondContact O-N 3.23Å; G165-K168 PolarHBondContact O-N 3.15Å; K168-P172 WeakPolarHBondContact O-CD 3.38Å
169	Q	88.8	Confident	89.4	Confident	142 Å²	142	56.5 Å²	56.5	66%	0.664	29%	0.285	S	S	*	.	H	α-helix	trans	-70.5	-32.2	175.4	-70.2	174	17.5	0	0	112.9	G165 H166 C167	G165-Q169 WeakPolarHBondContact O-CG 3.21Å; G165-Q169 PolarHBondContact O-N 3.33Å; H166-Q169 PolarHBondContact O-N 2.93Å; C167-Q169 VanDerWaalsContact C-N 3.27Å; C167-Q169 PolarHBondContact O-N 3.49Å
170	L	88.6	Confident	89.1	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-75.3	-35.1	178.6	-179.3	57.1	0	0	0	112.4	E158 H166 C167 M173 W174 P208 I210 W229	E158-L170 HydrophobicContact CG-CD2 4.22Å; E158-L170 WeakPolarHBondContact OE1-CD2 3.38Å; H166-L170 WeakPolarHBondContact O-CB 3.41Å; H166-L170 PolarHBondContact O-N 3.14Å; C167-L170 PolarHBondContact O-N 2.91Å; L170-M173 HydrophobicContact CD1-CB 4.44Å; L170-M173 HydrophobicContact CD1-CE 3.77Å; L170-M173 WeakPolarHBondContact O-CA 3.5Å; L170-M173 WeakPolarHBondContact O-CB 3.44Å; L170-M173 PolarHBondContact O-N 3.49Å; L170-W174 HydrophobicContact CD1-CE3 4.34Å; L170-W174 HydrophobicContact CD2-CE3 4.41Å; L170-W174 HydrophobicContact CG-CE3 4.41Å; L170-W174 PolarHBondContact O-N 2.98Å; L170-P208 HydrophobicContact CD2-CB 3.96Å; L170-P208 HydrophobicContact CD2-CG 3.75Å; L170-I210 HydrophobicContact CD2-CD1 4.16Å; L170-W229 HydrophobicContact CD1-CD2 3.96Å; L170-W229 HydrophobicContact CD1-CE3 3.98Å; L170-W229 HydrophobicContact CD1-CG 4.42Å; L170-W229 HydrophobicContact CD1-CZ3 4.4Å; L170-W229 HydrophobicContact CD2-CE3 4.44Å; L170-W229 HydrophobicContact CD2-CH2 3.84Å; L170-W229 HydrophobicContact CD2-CZ2 4.08Å; L170-W229 HydrophobicContact CD2-CZ3 4.06Å
171	A	92.3	Very high	88.8	Confident	36 Å²	36	60 Å²	60	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-49.5	-48.6	-171.4	0	0	0	0	0	114.5	C167 M173 W174 D175	C167-A171 PolarHBondContact O-N 3.35Å; A171-M173 VanDerWaalsContact C-N 3.26Å; A171-M173 PolarHBondContact O-N 2.95Å; A171-W174 WeakPolarHBondContact O-CB 3.44Å; A171-W174 PolarHBondContact O-N 2.97Å; A171-D175 PolarHBondContact O-N 2.84Å
172	P	92.4	Very high	88.7	Confident	74 Å²	74	65.1 Å²	65.1	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-30.6	178.9	-22	33.6	0	0	0	113.8	K168 K176	K168-P172 WeakPolarHBondContact O-CD 3.38Å; P172-K176 WeakPolarHBondContact O-CG 3.47Å; P172-K176 PolarHBondContact O-N 2.8Å
173	M	88.8	Confident	88.5	Confident	68 Å²	68	70.1 Å²	70.1	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-76.4	-37.4	174.8	-63.6	-174.6	-66.3	0	0	111	L170 A171 D175 K176 L177 W229 F233	L170-M173 HydrophobicContact CD1-CB 4.44Å; L170-M173 HydrophobicContact CD1-CE 3.77Å; L170-M173 WeakPolarHBondContact O-CA 3.5Å; L170-M173 WeakPolarHBondContact O-CB 3.44Å; L170-M173 PolarHBondContact O-N 3.49Å; A171-M173 VanDerWaalsContact C-N 3.26Å; A171-M173 PolarHBondContact O-N 2.95Å; M173-D175 VanDerWaalsContact C-N 3.34Å; M173-K176 PolarHBondContact O-N 3.33Å; M173-L177 PolarHBondContact O-N 3.3Å; M173-W229 HydrophobicContact CE-CB 3.97Å; M173-W229 HydrophobicContact CE-CG 4.04Å; M173-W229 HydrophobicContact SD-CB 4.5Å; M173-F233 WeakPolarHBondContact O-CE2 3.43Å
174	W	92.8	Very high	87.9	Confident	4 Å²	4	65 Å²	65	2%	0.015	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-155.8	-108.5	0	0	0	111.8	L156 E158 L170 A171 K176 L177 G178 I189 A190 I210	L156-W174 HydrophobicContact CD2-CH2 3.4Å; L156-W174 VanDerWaalsContact CD2-CH2 3.4Å; L156-W174 HydrophobicContact CD2-CZ2 4.1Å; L156-W174 HydrophobicContact CD2-CZ3 4.05Å; L156-W174 HydrophobicContact CG-CH2 3.72Å; L156-W174 HydrophobicContact CG-CZ2 4.17Å; E158-W174 HydrophobicContact CB-CD2 4.03Å; E158-W174 HydrophobicContact CB-CH2 4.1Å; E158-W174 HydrophobicContact CB-CZ2 3.55Å; L170-W174 HydrophobicContact CD1-CE3 4.34Å; L170-W174 HydrophobicContact CD2-CE3 4.41Å; L170-W174 HydrophobicContact CG-CE3 4.41Å; L170-W174 PolarHBondContact O-N 2.98Å; A171-W174 WeakPolarHBondContact O-CB 3.44Å; A171-W174 PolarHBondContact O-N 2.97Å; W174-K176 PolarHBondContact O-N 3.41Å; W174-L177 HydrophobicContact CE3-CD2 4.15Å; W174-L177 HydrophobicContact CH2-CD2 4.45Å; W174-L177 HydrophobicContact CZ3-CD2 4.03Å; W174-L177 VanDerWaalsContact O-CB 3.3Å; W174-L177 WeakPolarHBondContact O-CB 2.98Å; W174-L177 PolarHBondContact O-N 2.96Å; W174-L177 VanDerWaalsContact O-N 3.14Å; W174-G178 PolarHBondContact O-N 3Å; W174-I189 HydrophobicContact CD2-CG2 4.26Å; W174-I189 HydrophobicContact CG-CG2 4.45Å; W174-I189 HydrophobicContact CZ2-CG2 4.01Å; W174-A190 PolarHBondContact NE1-O 3.2Å; W174-I210 HydrophobicContact CH2-CD1 3.9Å; W174-I210 HydrophobicContact CH2-CG1 4.21Å; W174-I210 HydrophobicContact CH2-CG2 3.93Å; W174-I210 HydrophobicContact CZ3-CD1 3.59Å; W174-I210 HydrophobicContact CZ3-CG1 4.35Å
175	D	93.4	Very high	87.2	Confident	71 Å²	71	73.3 Å²	73.3	38%	0.38	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.6	-65.9	-27.3	0	0	0	111.4	A171 M173 L177 G178 E179	A171-D175 PolarHBondContact O-N 2.84Å; M173-D175 VanDerWaalsContact C-N 3.34Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.06Å; D175-G178 PolarHBondContact O-N 2.7Å; D175-G178 VanDerWaalsContact O-N 3.15Å; D175-E179 PolarHBondContact O-N 3.27Å
176	K	90	Very high	87.2	Confident	152 Å²	152	75.4 Å²	75.4	66%	0.661	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-35.6	173.1	-73.5	176.7	-177.5	179.9	0	112.8	P172 M173 W174 H180	P172-K176 WeakPolarHBondContact O-CG 3.47Å; P172-K176 PolarHBondContact O-N 2.8Å; M173-K176 PolarHBondContact O-N 3.33Å; W174-K176 PolarHBondContact O-N 3.41Å; K176-H180 WeakPolarHBondContact O-CB 3.12Å; K176-H180 PolarHBondContact O-N 3.06Å
177	L	88.2	Confident	87.3	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-44.3	175	-167.9	66.6	0	0	0	110.7	L156 M173 W174 D175 H180 F181 I189 F233 L236	L156-L177 HydrophobicContact CD2-CD2 3.96Å; M173-L177 PolarHBondContact O-N 3.3Å; W174-L177 HydrophobicContact CE3-CD2 4.15Å; W174-L177 HydrophobicContact CH2-CD2 4.45Å; W174-L177 HydrophobicContact CZ3-CD2 4.03Å; W174-L177 VanDerWaalsContact O-CB 3.3Å; W174-L177 WeakPolarHBondContact O-CB 2.98Å; W174-L177 PolarHBondContact O-N 2.96Å; W174-L177 VanDerWaalsContact O-N 3.14Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.06Å; L177-H180 PolarHBondContact O-N 3.25Å; L177-F181 HydrophobicContact CD1-CD2 3.9Å; L177-F181 HydrophobicContact CD1-CE2 3.55Å; L177-F181 HydrophobicContact CG-CD2 4.07Å; L177-F181 HydrophobicContact CG-CE2 4.17Å; L177-F181 VanDerWaalsContact O-CD2 3.31Å; L177-F181 WeakPolarHBondContact O-CD2 3.4Å; L177-F181 PolarHBondContact O-N 2.81Å; L177-I189 HydrophobicContact CD2-CD1 3.78Å; L177-I189 HydrophobicContact CD2-CG1 4.35Å; L177-I189 HydrophobicContact CD2-CG2 4.36Å; L177-I189 HydrophobicContact CG-CD1 3.84Å; L177-I189 HydrophobicContact CG-CG1 4.03Å; L177-F233 HydrophobicContact CB-CE2 3.65Å; L177-F233 HydrophobicContact CB-CZ 3.91Å; L177-F233 HydrophobicContact CD1-CD1 4.44Å; L177-F233 HydrophobicContact CD1-CD2 3.98Å; L177-F233 HydrophobicContact CD1-CE1 4.06Å; L177-F233 HydrophobicContact CD1-CE2 3.6Å; L177-F233 HydrophobicContact CD1-CG 4.39Å; L177-F233 HydrophobicContact CD1-CZ 3.62Å; L177-F233 HydrophobicContact CG-CE2 4.12Å; L177-F233 HydrophobicContact CG-CZ 4.37Å; L177-L236 HydrophobicContact CD2-CD1 4.01Å
178	G	92.6	Very high	87.4	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-55	-52.5	172.8	0	0	0	0	0	111.4	W174 D175 H180 F181 K182	W174-G178 PolarHBondContact O-N 3Å; D175-G178 PolarHBondContact O-N 2.7Å; D175-G178 VanDerWaalsContact O-N 3.15Å; G178-H180 VanDerWaalsContact C-N 3.28Å; G178-H180 PolarHBondContact O-N 3.44Å; G178-F181 CarbonylContact O-C 3.57Å; G178-F181 PolarHBondContact O-N 3.49Å; G178-K182 PolarHBondContact O-N 2.93Å
179	E	92.5	Very high	87.6	Confident	96 Å²	96	65.4 Å²	65.4	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-39.5	178	-73.3	-60.5	140.6	0	0	112.6	A135 D175 F181 K182	A135-E179 HydrophobicContact CB-CG 4.25Å; A135-E179 WeakPolarHBondContact CB-OE1 3.31Å; D175-E179 PolarHBondContact O-N 3.27Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 2.76Å; E179-K182 WeakPolarHBondContact O-CG 3.48Å; E179-K182 VanDerWaalsContact OE2-CD 3.32Å; E179-K182 WeakPolarHBondContact OE2-CD 3.19Å; E179-K182 WeakPolarHBondContact OE2-CE 3.13Å; E179-K182 IonicContact OE2-NZ 3.94Å; E179-K182 PolarHBondContact OE2-NZ 2.98Å
180	H	87.2	Confident	87.9	Confident	109 Å²	109	58.6 Å²	58.6	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-31.1	177.8	-173	70.7	0	0	0	113.1	K176 L177 G178	K176-H180 WeakPolarHBondContact O-CB 3.12Å; K176-H180 PolarHBondContact O-N 3.06Å; L177-H180 PolarHBondContact O-N 3.25Å; G178-H180 VanDerWaalsContact C-N 3.28Å; G178-H180 PolarHBondContact O-N 3.44Å
181	F	88.6	Confident	88.3	Confident	15 Å²	15	60.8 Å²	60.8	7%	0.066	30%	0.303	C	S	.	.	H	α-helix	trans	-104.6	-5.4	-175.4	-74.5	-65.6	0	0	0	114.8	L177 G178 E179 D183 G184 V187 I189 I237 A240	L177-F181 HydrophobicContact CD1-CD2 3.9Å; L177-F181 HydrophobicContact CD1-CE2 3.55Å; L177-F181 HydrophobicContact CG-CD2 4.07Å; L177-F181 HydrophobicContact CG-CE2 4.17Å; L177-F181 VanDerWaalsContact O-CD2 3.31Å; L177-F181 WeakPolarHBondContact O-CD2 3.4Å; L177-F181 PolarHBondContact O-N 2.81Å; G178-F181 CarbonylContact O-C 3.57Å; G178-F181 PolarHBondContact O-N 3.49Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 2.76Å; F181-D183 VanDerWaalsContact C-N 3.32Å; F181-D183 PolarHBondContact O-N 2.99Å; F181-G184 PolarHBondContact O-N 3.05Å; F181-V187 HydrophobicContact CB-CG1 4.2Å; F181-V187 HydrophobicContact CD1-CG1 3.56Å; F181-V187 HydrophobicContact CD2-CG1 3.82Å; F181-V187 HydrophobicContact CE1-CG1 3.77Å; F181-V187 HydrophobicContact CE2-CG1 4Å; F181-V187 HydrophobicContact CG-CG1 3.58Å; F181-V187 HydrophobicContact CZ-CG1 3.98Å; F181-I189 HydrophobicContact CB-CG1 4.14Å; F181-I189 HydrophobicContact CD2-CD1 3.94Å; F181-I189 HydrophobicContact CD2-CG1 4.05Å; F181-I237 HydrophobicContact CZ-CG1 4.3Å; F181-A240 HydrophobicContact CE1-CB 3.54Å; F181-A240 HydrophobicContact CZ-CB 3.66Å
182	K	87	Confident	88.5	Confident	108 Å²	108	59.1 Å²	59.1	47%	0.47	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-44	-175.1	76.1	-173.9	176.8	-175.8	0	113.6	A135 G178 E179 G184	A135-K182 HydrophobicContact CB-CB 4.09Å; G178-K182 PolarHBondContact O-N 2.93Å; E179-K182 WeakPolarHBondContact O-CG 3.48Å; E179-K182 VanDerWaalsContact OE2-CD 3.32Å; E179-K182 WeakPolarHBondContact OE2-CD 3.19Å; E179-K182 WeakPolarHBondContact OE2-CE 3.13Å; E179-K182 IonicContact OE2-NZ 3.94Å; E179-K182 PolarHBondContact OE2-NZ 2.98Å; K182-G184 VanDerWaalsContact C-N 3.33Å
183	D	81.1	Confident	88.6	Confident	145 Å²	145	56.2 Å²	56.2	78%	0.775	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.7	-178	-57.8	-47.3	0	0	0	112.2	F181	F181-D183 VanDerWaalsContact C-N 3.32Å; F181-D183 PolarHBondContact O-N 2.99Å
184	G	70	Confident	88.8	Confident	22 Å²	22	53.3 Å²	53.3	23%	0.227	26%	0.256	C	S	.	.			trans	-87.3	147.4	-175.4	0	0	0	0	0	113.8	K153 F181 K182 K186	K153-G184 PolarHBondContact NZ-O 3.15Å; F181-G184 PolarHBondContact O-N 3.05Å; K182-G184 VanDerWaalsContact C-N 3.33Å; G184-K186 VanDerWaalsContact C-N 3.3Å
185	K	68.4	Low	88.5	Confident	189 Å²	189	53.3 Å²	53.3	82%	0.822	26%	0.257	S	S	*	.	S	Bend	trans	-86.8	8.4	170.8	-66.2	-167.7	179.6	-173.3	0	114.5
186	K	82.9	Confident	88.3	Confident	86 Å²	86	50.5 Å²	50.5	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-92.3	-47.2	-164.5	-73.6	165.2	162	-178.8	0	114.1	P154 G184 A240	P154-K186 WeakPolarHBondContact CD-O 3.48Å; G184-K186 VanDerWaalsContact C-N 3.3Å; K186-A240 HydrophobicContact CB-CB 4.15Å; K186-A240 HydrophobicContact CD-CB 4.41Å; K186-A240 WeakPolarHBondContact CD-O 3.5Å; K186-A240 WeakPolarHBondContact CE-O 3.42Å; K186-A240 WeakPolarHBondContact CG-O 3.42Å
187	V	88.8	Confident	88.5	Confident	13 Å²	13	43.2 Å²	43.2	8%	0.079	21%	0.211	C	C	.	.			trans	-154.4	145.8	-176.4	63.6	0	0	0	0	109	P154 L156 F181 I189 Y212 A240	P154-V187 CarbonylContact O-C 3.53Å; P154-V187 WeakPolarHBondContact O-CA 3.32Å; L156-V187 HydrophobicContact CB-CG2 4.15Å; F181-V187 HydrophobicContact CB-CG1 4.2Å; F181-V187 HydrophobicContact CD1-CG1 3.56Å; F181-V187 HydrophobicContact CD2-CG1 3.82Å; F181-V187 HydrophobicContact CE1-CG1 3.77Å; F181-V187 HydrophobicContact CE2-CG1 4Å; F181-V187 HydrophobicContact CG-CG1 3.58Å; F181-V187 HydrophobicContact CZ-CG1 3.98Å; V187-I189 HydrophobicContact CG1-CD1 4.07Å; V187-I189 HydrophobicContact CG2-CD1 4.36Å; V187-Y212 HydrophobicContact CG2-CE2 4.43Å; V187-A240 HydrophobicContact CG1-CB 4.46Å
188	I	91.7	Very high	88.7	Confident	33 Å²	33	44.4 Å²	44.4	17%	0.169	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.5	169.5	-61.6	168.3	0	0	0	107.9	K137 Y147 K153 P154 V155 L156	K137-I188 HydrophobicContact CG-CG2 3.7Å; Y147-I188 WeakPolarHBondContact OH-CG2 3.41Å; K153-I188 HydrophobicContact CB-CD1 4.06Å; K153-I188 HydrophobicContact CB-CG1 4.04Å; K153-I188 HydrophobicContact CD-CD1 4.35Å; K153-I188 HydrophobicContact CD-CG1 3.99Å; P154-I188 PolarHBondContact O-N 3.01Å; V155-I188 CarbonylContact C-O 3.53Å; V155-I188 VanDerWaalsContact CA-O 3.3Å; V155-I188 WeakPolarHBondContact CA-O 3.4Å; V155-I188 HydrophobicContact CB-CB 4.44Å; V155-I188 HydrophobicContact CG1-CB 4.06Å; V155-I188 HydrophobicContact CG1-CG2 4.15Å; V155-I188 WeakPolarHBondContact CG1-O 3.49Å; V155-I188 HydrophobicContact CG2-CB 4.28Å; V155-I188 HydrophobicContact CG2-CD1 4.49Å; L156-I188 PolarHBondContact N-O 2.97Å
189	I	93.2	Very high	88.6	Confident	3 Å²	3	45 Å²	45	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.1	173.4	-52.1	-54.8	0	0	0	107.9	V136 K137 L156 W174 L177 F181 V187	V136-I189 WeakPolarHBondContact CA-O 3.14Å; V136-I189 HydrophobicContact CG1-CG2 4.37Å; V136-I189 HydrophobicContact CG2-CG2 4.04Å; K137-I189 PolarHBondContact N-O 3.06Å; L156-I189 HydrophobicContact CB-CD1 4.1Å; L156-I189 HydrophobicContact CD2-CD1 4.21Å; W174-I189 HydrophobicContact CD2-CG2 4.26Å; W174-I189 HydrophobicContact CG-CG2 4.45Å; W174-I189 HydrophobicContact CZ2-CG2 4.01Å; L177-I189 HydrophobicContact CD2-CD1 3.78Å; L177-I189 HydrophobicContact CD2-CG1 4.35Å; L177-I189 HydrophobicContact CD2-CG2 4.36Å; L177-I189 HydrophobicContact CG-CD1 3.84Å; L177-I189 HydrophobicContact CG-CG1 4.03Å; F181-I189 HydrophobicContact CB-CG1 4.14Å; F181-I189 HydrophobicContact CD2-CD1 3.94Å; F181-I189 HydrophobicContact CD2-CG1 4.05Å; V187-I189 HydrophobicContact CG1-CD1 4.07Å; V187-I189 HydrophobicContact CG2-CD1 4.36Å
190	A	95.8	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.2	-176.9	0	0	0	0	0	111.2	K137 L139 V155 L156 V157 E158 W174	K137-A190 HydrophobicContact CB-CB 4.17Å; K137-A190 CarbonylContact O-C 3.57Å; K137-A190 WeakPolarHBondContact O-CA 3.42Å; L139-A190 HydrophobicContact CD1-CB 3.72Å; L139-A190 HydrophobicContact CG-CB 3.91Å; V155-A190 HydrophobicContact CG1-CB 3.77Å; L156-A190 PolarHBondContact O-N 2.8Å; V157-A190 WeakPolarHBondContact CA-O 3.41Å; V157-A190 HydrophobicContact CG2-CB 4.2Å; E158-A190 PolarHBondContact N-O 3.31Å; W174-A190 PolarHBondContact NE1-O 3.2Å
191	K	96.9	Very high	88.2	Confident	51 Å²	51	45.3 Å²	45.3	22%	0.222	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.6	172.2	67	-176	176.5	-174.2	0	110.5	V136 K137 V138 L139 E158 Y160	V136-K191 HydrophobicContact CG1-CB 4.09Å; V136-K191 HydrophobicContact CG1-CD 3.97Å; V136-K191 HydrophobicContact CG1-CG 3.79Å; K137-K191 PolarHBondContact O-N 2.97Å; V138-K191 WeakPolarHBondContact CA-O 3.47Å; V138-K191 HydrophobicContact CG2-CG 4.43Å; L139-K191 PolarHBondContact N-O 3.42Å; E158-K191 HydrophobicContact CB-CB 4.34Å; E158-K191 CarbonylContact O-C 3.55Å; E158-K191 WeakPolarHBondContact O-CA 3.48Å; Y160-K191 HydrophobicContact CD1-CB 4.08Å; Y160-K191 HydrophobicContact CE1-CB 3.93Å; Y160-K191 HydrophobicContact CE1-CD 4.06Å; Y160-K191 HydrophobicContact CE1-CG 3.96Å
192	M	96.3	Very high	88.2	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	126.6	177.7	-178.4	171.5	118	0	0	109.3	L139 F144 V157 E158 F159 Y160 A194 N197 L199	L139-M192 HydrophobicContact CB-CB 4.44Å; L139-M192 VanDerWaalsContact O-CG 3.27Å; L139-M192 WeakPolarHBondContact O-CG 3.42Å; F144-M192 HydrophobicContact CD2-SD 3.95Å; F144-M192 HydrophobicContact CE2-SD 4.29Å; V157-M192 HydrophobicContact CG1-CB 4.34Å; E158-M192 PolarHBondContact O-N 2.73Å; F159-M192 WeakPolarHBondContact CA-O 3.1Å; F159-M192 HydrophobicContact CD1-CB 3.99Å; F159-M192 HydrophobicContact CD1-CE 3.67Å; F159-M192 HydrophobicContact CD1-CG 4.3Å; F159-M192 HydrophobicContact CD1-SD 4.11Å; F159-M192 HydrophobicContact CE1-CB 4.22Å; F159-M192 HydrophobicContact CE1-CE 3.5Å; F159-M192 VanDerWaalsContact CE1-CE 3.5Å; F159-M192 HydrophobicContact CE1-CG 4.43Å; F159-M192 HydrophobicContact CE1-SD 3.7Å; Y160-M192 VanDerWaalsContact CD1-C 3.47Å; Y160-M192 WeakPolarHBondContact CD1-O 3.31Å; Y160-M192 PolarHBondContact N-O 3.49Å; M192-A194 PolarHBondContact O-N 2.92Å; M192-N197 HydrophobicContact CE-CB 3.81Å; M192-N197 WeakPolarHBondContact CE-O 3.33Å; M192-N197 HydrophobicContact CG-CB 3.84Å; M192-N197 HydrophobicContact SD-CB 4.1Å; M192-L199 HydrophobicContact CE-CD1 3.58Å; M192-L199 HydrophobicContact CE-CG 3.77Å; M192-L199 HydrophobicContact SD-CD1 4.13Å
193	D	94.4	Very high	88.1	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	102.7	169.5	-178.3	-14.3	0	0	0	107.5	Y160 P162 T195 A196 N197	Y160-D193 HydrophobicContact CE1-CB 4.21Å; Y160-D193 VanDerWaalsContact CE1-N 3.3Å; Y160-D193 HydrophobicContact CE2-CB 4.35Å; P162-D193 VanDerWaalsContact CD-OD2 3.3Å; P162-D193 WeakPolarHBondContact CD-OD2 3.47Å; P162-D193 WeakPolarHBondContact CG-OD2 3.38Å; D193-T195 PolarHBondContact O-N 3.08Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.4Å; D193-T195 PolarHBondContact OD1-N 3.25Å; D193-T195 PolarHBondContact OD1-OG1 3.36Å; D193-A196 PolarHBondContact O-N 2.89Å; D193-A196 PolarHBondContact OD1-N 3.06Å; D193-N197 VanDerWaalsContact O-CB 3.29Å; D193-N197 WeakPolarHBondContact O-CB 3.3Å; D193-N197 PolarHBondContact O-N 3.31Å; D193-N197 PolarHBondContact O-ND2 2.93Å
194	A	92.6	Very high	88.3	Confident	8 Å²	8	37.7 Å²	37.7	7%	0.066	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.2	-176.1	0	0	0	0	0	113.4	F159 Y160 M192 N197 I204 F207	F159-A194 HydrophobicContact CB-CB 3.96Å; F159-A194 HydrophobicContact CD1-CB 4.26Å; Y160-A194 PolarHBondContact O-N 2.81Å; M192-A194 PolarHBondContact O-N 2.92Å; A194-N197 WeakPolarHBondContact CA-O 3.14Å; A194-I204 HydrophobicContact CB-CD1 3.17Å; A194-F207 HydrophobicContact CB-CE1 3.67Å; A194-F207 HydrophobicContact CB-CZ 4.33Å
195	T	87.3	Confident	88.8	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.025	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-25.2	169.9	68.4	0	0	0	0	112.2	F71 K93 A161 W163 D193 F207	F71-T195 HydrophobicContact CD2-CG2 4.29Å; F71-T195 HydrophobicContact CE2-CG2 4.43Å; K93-T195 PolarHBondContact NZ-O 2.97Å; A161-T195 HydrophobicContact CB-CG2 3.54Å; W163-T195 HydrophobicContact CZ2-CG2 4.32Å; D193-T195 PolarHBondContact O-N 3.08Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.4Å; D193-T195 PolarHBondContact OD1-N 3.25Å; D193-T195 PolarHBondContact OD1-OG1 3.36Å; T195-F207 HydrophobicContact CG2-CE2 4.3Å; T195-F207 HydrophobicContact CG2-CZ 4Å
196	A	89.8	Confident	89.5	Confident	11 Å²	11	38.2 Å²	38.2	9%	0.091	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-7.6	179.3	0	0	0	0	0	113.7	L123 Q125 D193	L123-A196 CarbonylContact C-O 3.55Å; L123-A196 WeakPolarHBondContact CB-O 3.18Å; Q125-A196 VanDerWaalsContact CD-CB 3.42Å; Q125-A196 HydrophobicContact CG-CB 3.6Å; D193-A196 PolarHBondContact O-N 2.89Å; D193-A196 PolarHBondContact OD1-N 3.06Å
197	N	93.3	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.			trans	-132.7	111.7	177	-60.4	-85.8	0	0	0	109.2	L123 Q125 L140 A141 M192 D193 A194	L123-N197 CarbonylContact O-C 3.56Å; L123-N197 WeakPolarHBondContact O-CA 3.46Å; Q125-N197 PolarHBondContact N-OD1 2.86Å; Q125-N197 VanDerWaalsContact N-OD1 3.11Å; Q125-N197 PolarHBondContact OE1-ND2 3.01Å; L140-N197 WeakPolarHBondContact CA-OD1 3.21Å; L140-N197 WeakPolarHBondContact CB-OD1 3.14Å; L140-N197 WeakPolarHBondContact CD2-OD1 3.44Å; A141-N197 HydrophobicContact CB-CB 3.89Å; A141-N197 PolarHBondContact N-OD1 3.3Å; M192-N197 HydrophobicContact CE-CB 3.81Å; M192-N197 WeakPolarHBondContact CE-O 3.33Å; M192-N197 HydrophobicContact CG-CB 3.84Å; M192-N197 HydrophobicContact SD-CB 4.1Å; D193-N197 VanDerWaalsContact O-CB 3.29Å; D193-N197 WeakPolarHBondContact O-CB 3.3Å; D193-N197 PolarHBondContact O-N 3.31Å; D193-N197 PolarHBondContact O-ND2 2.93Å; A194-N197 WeakPolarHBondContact CA-O 3.14Å
198	E	92	Very high	89.8	Confident	25 Å²	25	36.2 Å²	36.2	12%	0.117	18%	0.184	C	C	.	.			trans	-116.3	139.9	-175.4	-65.4	173.7	151.1	0	0	110.6	K93 L122 L123 A141	K93-E198 VanDerWaalsContact CD-OE1 3.25Å; K93-E198 WeakPolarHBondContact CD-OE1 3.39Å; K93-E198 WeakPolarHBondContact CE-OE1 3.32Å; K93-E198 IonicContact NZ-OE1 3.08Å; K93-E198 PolarHBondContact NZ-OE1 3.46Å; K93-E198 IonicContact NZ-OE2 2.7Å; L122-E198 HydrophobicContact CB-CB 4.28Å; L122-E198 HydrophobicContact CD2-CB 3.89Å; L123-E198 PolarHBondContact N-OE2 3.02Å; L123-E198 PolarHBondContact O-N 3.38Å; A141-E198 WeakPolarHBondContact CB-O 3.21Å
199	L	90.6	Very high	89.8	Confident	13 Å²	13	37 Å²	37	7%	0.068	19%	0.186	C	C	.	.			trans	-122.7	143.3	-174.7	-64.1	172	0	0	0	110.2	A141 F144 F159 M192 E201 V202	A141-L199 HydrophobicContact CB-CD2 3.94Å; F144-L199 HydrophobicContact CB-CD1 4.36Å; F144-L199 HydrophobicContact CB-CD2 3.73Å; F144-L199 HydrophobicContact CD1-CD1 3.63Å; F144-L199 HydrophobicContact CD1-CD2 4Å; F144-L199 HydrophobicContact CD1-CG 4.48Å; F144-L199 HydrophobicContact CD2-CD1 3.52Å; F144-L199 HydrophobicContact CD2-CD2 4.42Å; F144-L199 HydrophobicContact CE1-CD1 3.65Å; F144-L199 HydrophobicContact CE2-CD1 3.51Å; F144-L199 HydrophobicContact CG-CD1 3.58Å; F144-L199 HydrophobicContact CG-CD2 3.81Å; F144-L199 HydrophobicContact CG-CG 4.37Å; F144-L199 HydrophobicContact CZ-CD1 3.58Å; F159-L199 HydrophobicContact CE1-CD1 4.15Å; M192-L199 HydrophobicContact CE-CD1 3.58Å; M192-L199 HydrophobicContact CE-CG 3.77Å; M192-L199 HydrophobicContact SD-CD1 4.13Å; L199-E201 VanDerWaalsContact C-N 3.34Å; L199-V202 HydrophobicContact CB-CB 4.04Å; L199-V202 HydrophobicContact CD1-CB 3.93Å; L199-V202 HydrophobicContact CD1-CG2 3.84Å
200	E	87.6	Confident	89.7	Confident	144 Å²	144	37.2 Å²	37.2	67%	0.673	19%	0.187	S	C	*	.	S	Bend	trans	-64.3	-43	172.4	-66.8	-175.4	-179.7	0	0	110.9	L122 K203	L122-E200 HydrophobicContact CD1-CG 3.44Å; L122-E200 VanDerWaalsContact CD1-CG 3.44Å; E200-K203 WeakPolarHBondContact O-CE 3.49Å; E200-K203 PolarHBondContact O-NZ 2.96Å
201	E	85.1	Confident	89.4	Confident	68 Å²	68	37.8 Å²	37.8	32%	0.318	19%	0.19	S	C	.	.	S	Bend	trans	-82.7	-16.4	-174.7	60.3	-91.5	-160.8	0	0	115.3	F144 N145 L199	F144-E201 WeakPolarHBondContact CD1-OE1 3.44Å; F144-E201 HydrophobicContact CE1-CG 4.47Å; N145-E201 PolarHBondContact ND2-OE1 3.06Å; N145-E201 PolarHBondContact OD1-OE1 3.17Å; L199-E201 VanDerWaalsContact C-N 3.34Å
202	V	88.2	Confident	89	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.055	19%	0.188	C	C	.	.			trans	-118.5	107	-178.7	-179.5	0	0	0	0	110.2	F144 F159 L199 I204 M211 F213	F144-V202 HydrophobicContact CE1-CG2 4.4Å; F144-V202 HydrophobicContact CZ-CG2 4.13Å; F159-V202 HydrophobicContact CD1-CG1 4.44Å; F159-V202 HydrophobicContact CD2-CG1 4.35Å; F159-V202 HydrophobicContact CE1-CG1 4.06Å; F159-V202 HydrophobicContact CE2-CG1 3.97Å; F159-V202 HydrophobicContact CZ-CB 4.4Å; F159-V202 HydrophobicContact CZ-CG1 3.81Å; F159-V202 HydrophobicContact CZ-CG2 4.1Å; L199-V202 HydrophobicContact CB-CB 4.04Å; L199-V202 HydrophobicContact CD1-CB 3.93Å; L199-V202 HydrophobicContact CD1-CG2 3.84Å; V202-I204 HydrophobicContact CG1-CD1 4.06Å; V202-I204 HydrophobicContact CG1-CG1 3.86Å; V202-M211 HydrophobicContact CG1-SD 3.54Å; V202-M211 VanDerWaalsContact CG1-SD 3.54Å; V202-M211 HydrophobicContact CG2-CE 4.4Å; V202-M211 HydrophobicContact CG2-SD 4.24Å; V202-F213 HydrophobicContact CG2-CZ 4.26Å
203	K	84.7	Confident	88.7	Confident	75 Å²	75	37.5 Å²	37.5	33%	0.326	19%	0.188	S	C	.	.			trans	-95	128.9	177.9	-56.4	-46.7	-168.3	160.8	0	111.5	D90 E200 K209	D90-K203 HydrophobicContact CB-CD 4.33Å; D90-K203 VanDerWaalsContact CG-CD 3.4Å; D90-K203 WeakPolarHBondContact OD1-CB 3.35Å; D90-K203 WeakPolarHBondContact OD1-CG 3.49Å; D90-K203 WeakPolarHBondContact OD2-CD 3.49Å; D90-K203 WeakPolarHBondContact OD2-CE 3.31Å; D90-K203 WeakPolarHBondContact OD2-CG 3.46Å; D90-K203 IonicContact OD2-NZ 2.67Å; D90-K203 PolarHBondContact OD2-NZ 2.84Å; E200-K203 WeakPolarHBondContact O-CE 3.49Å; E200-K203 PolarHBondContact O-NZ 2.96Å; K203-K209 PolarHBondContact O-NZ 3.27Å
204	I	85.4	Confident	88.4	Confident	25 Å²	25	43.2 Å²	43.2	13%	0.128	21%	0.212	C	C	.	.			trans	-127.3	113.4	-171.9	-54.6	166.5	0	0	0	109.3	F159 A194 V202 S206 F207 K209	F159-I204 HydrophobicContact CB-CD1 3.58Å; F159-I204 HydrophobicContact CB-CG1 4.42Å; F159-I204 HydrophobicContact CD1-CD1 3.71Å; F159-I204 HydrophobicContact CG-CD1 3.71Å; A194-I204 HydrophobicContact CB-CD1 3.17Å; V202-I204 HydrophobicContact CG1-CD1 4.06Å; V202-I204 HydrophobicContact CG1-CG1 3.86Å; I204-S206 WeakPolarHBondContact CG2-O 3.3Å; I204-F207 HydrophobicContact CG2-CD1 3.92Å; I204-F207 HydrophobicContact CG2-CE1 3.48Å; I204-F207 VanDerWaalsContact CG2-CE1 3.48Å; I204-F207 HydrophobicContact CG2-CZ 3.9Å; I204-K209 HydrophobicContact CG1-CD 4.23Å; I204-K209 HydrophobicContact CG2-CB 4.2Å; I204-K209 HydrophobicContact CG2-CD 4.43Å
205	Q	80	Confident	88.1	Confident	139 Å²	139	48.2 Å²	48.2	65%	0.65	23%	0.232	S	C	*	.	S	Bend	trans	-97.8	-27	179.9	-71.4	173.8	-10.1	0	0	112.7	E89	E89-Q205 VanDerWaalsContact O-CD 3.28Å; E89-Q205 WeakPolarHBondContact O-CG 2.89Å; E89-Q205 PolarHBondContact O-NE2 3.19Å
206	S	82.8	Confident	87.8	Confident	82 Å²	82	49.9 Å²	49.9	57%	0.573	25%	0.25	S	S	*	.	S	Bend	trans	-150.9	157.9	-174.8	62.9	0	0	0	0	110.6	I204	I204-S206 WeakPolarHBondContact CG2-O 3.3Å
207	F	86.8	Confident	87.4	Confident	36 Å²	36	54.7 Å²	54.7	16%	0.158	27%	0.271	C	S	.	.	S	Bend	trans	-122.3	146.2	-176.6	-59.8	-75.2	0	0	0	111.2	A161 W163 C164 A194 T195 I204	A161-F207 HydrophobicContact CB-CB 4.34Å; A161-F207 HydrophobicContact CB-CD1 4.05Å; A161-F207 HydrophobicContact CB-CD2 3.64Å; A161-F207 HydrophobicContact CB-CE1 4.23Å; A161-F207 HydrophobicContact CB-CE2 3.85Å; A161-F207 HydrophobicContact CB-CG 3.75Å; A161-F207 HydrophobicContact CB-CZ 4.14Å; W163-F207 HydrophobicContact CH2-CD2 4.33Å; W163-F207 HydrophobicContact CH2-CE2 4.46Å; W163-F207 HydrophobicContact CZ2-CE2 4.45Å; C164-F207 HydrophobicContact CB-CB 4.15Å; A194-F207 HydrophobicContact CB-CE1 3.67Å; A194-F207 HydrophobicContact CB-CZ 4.33Å; T195-F207 HydrophobicContact CG2-CE2 4.3Å; T195-F207 HydrophobicContact CG2-CZ 4Å; I204-F207 HydrophobicContact CG2-CD1 3.92Å; I204-F207 HydrophobicContact CG2-CE1 3.48Å; I204-F207 VanDerWaalsContact CG2-CE1 3.48Å; I204-F207 HydrophobicContact CG2-CZ 3.9Å
208	P	91.8	Very high	86.7	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.143	30%	0.295	C	S	.	.	S	Bend	cis	-70.7	149.5	-12.4	29.3	-34.2	0	0	0	111.5	E158 F159 L170 W229	E158-P208 HydrophobicContact CG-CB 4.07Å; F159-P208 WeakPolarHBondContact O-CA 3.34Å; L170-P208 HydrophobicContact CD2-CB 3.96Å; L170-P208 HydrophobicContact CD2-CG 3.75Å; P208-W229 HydrophobicContact CG-CH2 3.7Å; P208-W229 HydrophobicContact CG-CZ2 3.67Å
209	K	90.4	Very high	86.2	Confident	48 Å²	48	68.4 Å²	68.4	21%	0.209	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	166.8	-178.8	166.8	-178	168.8	0	109.3	F159 K203 I204 M211	F159-K209 HydrophobicContact CB-CB 4.35Å; F159-K209 WeakPolarHBondContact CD2-O 3.47Å; F159-K209 PolarHBondContact N-O 3.11Å; F159-K209 PolarHBondContact O-N 3.38Å; K203-K209 PolarHBondContact O-NZ 3.27Å; I204-K209 HydrophobicContact CG1-CD 4.23Å; I204-K209 HydrophobicContact CG2-CB 4.2Å; I204-K209 HydrophobicContact CG2-CD 4.43Å; K209-M211 HydrophobicContact CG-CG 4.29Å
210	I	91.3	Very high	85.6	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.046	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.2	180	-60.3	179	0	0	0	109.7	L156 V157 L170 W174 T223 W229 L232	L156-I210 HydrophobicContact CD1-CG2 3.67Å; L156-I210 HydrophobicContact CD2-CG2 4.45Å; L156-I210 HydrophobicContact CG-CG2 4Å; V157-I210 WeakPolarHBondContact O-CA 3.45Å; L170-I210 HydrophobicContact CD2-CD1 4.16Å; W174-I210 HydrophobicContact CH2-CD1 3.9Å; W174-I210 HydrophobicContact CH2-CG1 4.21Å; W174-I210 HydrophobicContact CH2-CG2 3.93Å; W174-I210 HydrophobicContact CZ3-CD1 3.59Å; W174-I210 HydrophobicContact CZ3-CG1 4.35Å; I210-T223 PolarHBondContact O-N 3.28Å; I210-T223 PolarHBondContact O-OG1 3.34Å; I210-W229 HydrophobicContact CD1-CE3 4.27Å; I210-W229 HydrophobicContact CD1-CH2 3.87Å; I210-W229 HydrophobicContact CD1-CZ3 3.31Å; I210-W229 HydrophobicContact CG1-CZ3 4.42Å; I210-L232 HydrophobicContact CD1-CD2 3.47Å; I210-L232 VanDerWaalsContact CD1-CD2 3.47Å
211	M	90.1	Very high	85.1	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.059	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.4	178	-59.5	-179	65	0	0	110.8	V157 F159 V202 K209 F213 G220 S221 V222	V157-M211 PolarHBondContact N-O 2.84Å; V157-M211 PolarHBondContact O-N 2.96Å; F159-M211 HydrophobicContact CD2-CG 4.29Å; F159-M211 HydrophobicContact CD2-SD 4.28Å; F159-M211 HydrophobicContact CE2-CB 4Å; F159-M211 HydrophobicContact CE2-CG 3.94Å; F159-M211 HydrophobicContact CE2-SD 3.74Å; V202-M211 HydrophobicContact CG1-SD 3.54Å; V202-M211 VanDerWaalsContact CG1-SD 3.54Å; V202-M211 HydrophobicContact CG2-CE 4.4Å; V202-M211 HydrophobicContact CG2-SD 4.24Å; K209-M211 HydrophobicContact CG-CG 4.29Å; M211-F213 HydrophobicContact CB-CD2 4.3Å; M211-F213 HydrophobicContact CB-CE2 3.53Å; M211-F213 HydrophobicContact CB-CZ 3.95Å; M211-F213 HydrophobicContact CE-CZ 4.19Å; M211-F213 HydrophobicContact SD-CZ 4.37Å; M211-G220 WeakPolarHBondContact CE-O 3.28Å; M211-S221 WeakPolarHBondContact CA-O 3.32Å; M211-V222 HydrophobicContact CE-CG2 4.43Å; M211-V222 HydrophobicContact CG-CG2 4.47Å
212	Y	88.5	Confident	84.3	Confident	45 Å²	45	64.9 Å²	64.9	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.7	173.6	179.8	-101.7	0	0	0	109.8	P154 L156 V187 K214 G220 S221 E243	P154-Y212 HydrophobicContact CB-CE1 4.43Å; P154-Y212 HydrophobicContact CB-CE2 3.6Å; P154-Y212 VanDerWaalsContact CB-CZ 3.48Å; P154-Y212 WeakPolarHBondContact CB-OH 3.43Å; P154-Y212 VanDerWaalsContact CG-OH 3.27Å; P154-Y212 WeakPolarHBondContact CG-OH 3.31Å; L156-Y212 HydrophobicContact CD1-CD2 4.22Å; V187-Y212 HydrophobicContact CG2-CE2 4.43Å; Y212-K214 HydrophobicContact CD1-CG 4.49Å; Y212-K214 HydrophobicContact CE1-CG 3.97Å; Y212-G220 CarbonylContact O-C 3.58Å; Y212-G220 WeakPolarHBondContact O-CA 3.17Å; Y212-S221 PolarHBondContact N-O 3.39Å; Y212-S221 PolarHBondContact O-N 3.42Å; Y212-S221 PolarHBondContact O-OG 2.64Å; Y212-E243 PolarHBondContact OH-OE1 3.41Å
213	F	89.8	Confident	83	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.2	177.7	-63.8	-98.3	0	0	0	108.5	F144 F148 P154 V155 V157 F159 V202 M211 R218 G220	F144-F213 HydrophobicContact CE1-CE1 4.13Å; F144-F213 HydrophobicContact CE1-CZ 4.43Å; F144-F213 HydrophobicContact CE2-CZ 4.47Å; F144-F213 AromaticContact CZ-CE1 3.71Å; F144-F213 HydrophobicContact CZ-CE1 3.71Å; F144-F213 HydrophobicContact CZ-CE2 4.32Å; F144-F213 AromaticContact CZ-CZ 3.59Å; F144-F213 HydrophobicContact CZ-CZ 3.59Å; F148-F213 HydrophobicContact CD1-CB 3.63Å; F148-F213 HydrophobicContact CD1-CD1 4Å; F148-F213 AromaticContact CD1-CG 3.89Å; F148-F213 HydrophobicContact CD1-CG 3.89Å; F148-F213 HydrophobicContact CE1-CB 3.23Å; F148-F213 AromaticContact CE1-CD1 3.84Å; F148-F213 HydrophobicContact CE1-CD1 3.84Å; F148-F213 AromaticContact CE1-CD2 3.79Å; F148-F213 HydrophobicContact CE1-CD2 3.79Å; F148-F213 AromaticContact CE1-CG 3.35Å; F148-F213 HydrophobicContact CE1-CG 3.35Å; F148-F213 HydrophobicContact CG-CD1 4.44Å; F148-F213 HydrophobicContact CZ-CB 4.13Å; F148-F213 HydrophobicContact CZ-CD1 4.15Å; F148-F213 AromaticContact CZ-CD2 3.81Å; F148-F213 HydrophobicContact CZ-CD2 3.81Å; F148-F213 HydrophobicContact CZ-CE2 4.25Å; F148-F213 AromaticContact CZ-CG 3.77Å; F148-F213 HydrophobicContact CZ-CG 3.77Å; P154-F213 CarbonylContact C-O 3.39Å; P154-F213 WeakPolarHBondContact CA-O 3.45Å; P154-F213 WeakPolarHBondContact CB-O 3.43Å; V155-F213 PolarHBondContact N-O 3.49Å; V155-F213 PolarHBondContact O-N 2.9Å; V157-F213 HydrophobicContact CB-CD2 4.47Å; V157-F213 HydrophobicContact CB-CE2 4.04Å; V157-F213 HydrophobicContact CG2-CD2 3.73Å; V157-F213 HydrophobicContact CG2-CE2 3.65Å; F159-F213 HydrophobicContact CE2-CE2 4.16Å; F159-F213 HydrophobicContact CE2-CZ 4.26Å; F159-F213 HydrophobicContact CZ-CE2 4.25Å; F159-F213 HydrophobicContact CZ-CZ 4.1Å; V202-F213 HydrophobicContact CG2-CZ 4.26Å; M211-F213 HydrophobicContact CB-CD2 4.3Å; M211-F213 HydrophobicContact CB-CE2 3.53Å; M211-F213 HydrophobicContact CB-CZ 3.95Å; M211-F213 HydrophobicContact CE-CZ 4.19Å; M211-F213 HydrophobicContact SD-CZ 4.37Å; F213-R218 WeakPolarHBondContact CE1-O 3.47Å; F213-G220 VanDerWaalsContact CD1-CA 3.45Å; F213-G220 VanDerWaalsContact CD1-N 3.35Å; F213-G220 VanDerWaalsContact CE1-CA 3.47Å
214	K	87.5	Confident	81.3	Confident	133 Å²	133	70.6 Å²	70.6	58%	0.578	36%	0.356	S	S	*	.			trans	-66.6	153.3	173.6	-67.3	178.6	-178.2	176.7	0	109.8	Y212 G216 H217	Y212-K214 HydrophobicContact CD1-CG 4.49Å; Y212-K214 HydrophobicContact CE1-CG 3.97Å; K214-G216 PolarHBondContact O-N 2.77Å; K214-H217 HydrophobicContact CB-CB 4.22Å; K214-H217 PolarHBondContact O-N 3Å
215	K	86.4	Confident	79.4	Confident	112 Å²	112	72.9 Å²	72.9	49%	0.487	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	127	172.6	176.7	-174.8	176.9	136.5	0	111.1	A151 E152 H217	A151-K215 VanDerWaalsContact O-CG 3.31Å; A151-K215 WeakPolarHBondContact O-CG 3.47Å; E152-K215 WeakPolarHBondContact O-CD 3.08Å; E152-K215 VanDerWaalsContact O-CE 3.26Å; E152-K215 WeakPolarHBondContact O-CE 3.22Å; E152-K215 PolarHBondContact O-NZ 2.79Å; K215-H217 PolarHBondContact O-CD2 3.43Å; K215-H217 PolarHBondContact O-N 2.89Å
216	G	81.9	Confident	77.9	Confident	39 Å²	39	68 Å²	68	40%	0.402	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	3.1	177.2	0	0	0	0	0	115.7	F148 A151 K214	F148-G216 CarbonylContact O-C 3.6Å; F148-G216 WeakPolarHBondContact O-CA 3.39Å; A151-G216 PolarHBondContact O-N 3.07Å; K214-G216 PolarHBondContact O-N 2.77Å
217	H	82	Confident	76.2	Confident	113 Å²	113	70.7 Å²	70.7	52%	0.523	38%	0.378	S	S	.	.			trans	-113.5	130.7	-177	-67.3	-81.5	0	0	0	112	K214 K215	K214-H217 HydrophobicContact CB-CB 4.22Å; K214-H217 PolarHBondContact O-N 3Å; K215-H217 PolarHBondContact O-CD2 3.43Å; K215-H217 PolarHBondContact O-N 2.89Å
218	R	78.8	Confident	74.5	Confident	134 Å²	134	77.6 Å²	77.6	51%	0.506	40%	0.403	S	S	.	.	S	Bend	trans	-87.6	-10.8	176.8	65.1	175.2	176.5	178	2.1	115.3	N145 F148 F213	N145-R218 VanDerWaalsContact OD1-CD 3.26Å; N145-R218 WeakPolarHBondContact OD1-CD 3.26Å; F148-R218 HydrophobicContact CB-CB 4.27Å; F213-R218 WeakPolarHBondContact CE1-O 3.47Å
219	K	80.3	Confident	72.7	Confident	179 Å²	179	80.4 Å²	80.4	78%	0.778	41%	0.411	S	S	*	.			trans	-93.8	107.7	175	-71.3	-169.5	176.9	-172.9	0	108.7
220	G	77.4	Confident	70.8	Confident	21 Å²	21	88.5 Å²	88.5	22%	0.216	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-82.6	149.5	175.9	0	0	0	0	0	111.5	M211 Y212 F213	M211-G220 WeakPolarHBondContact CE-O 3.28Å; Y212-G220 CarbonylContact O-C 3.58Å; Y212-G220 WeakPolarHBondContact O-CA 3.17Å; F213-G220 VanDerWaalsContact CD1-CA 3.45Å; F213-G220 VanDerWaalsContact CD1-N 3.35Å; F213-G220 VanDerWaalsContact CE1-CA 3.47Å
221	S	77.8	Confident	69.2	Low	66 Å²	66	92.6 Å²	92.6	46%	0.462	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.1	164.7	52.7	0	0	0	0	109	M211 Y212 T223	M211-S221 WeakPolarHBondContact CA-O 3.32Å; Y212-S221 PolarHBondContact N-O 3.39Å; Y212-S221 PolarHBondContact O-N 3.42Å; Y212-S221 PolarHBondContact O-OG 2.64Å; S221-T223 PolarHBondContact O-N 2.88Å
222	V	68.9	Low	67.7	Low	63 Å²	63	92.4 Å²	92.4	38%	0.382	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.2	167.9	-177.1	0	0	0	0	107.8	M211 E224	M211-V222 HydrophobicContact CE-CG2 4.43Å; M211-V222 HydrophobicContact CG-CG2 4.47Å; V222-E224 HydrophobicContact CB-CG 4.17Å; V222-E224 HydrophobicContact CG1-CG 3.87Å; V222-E224 PolarHBondContact O-N 3.23Å
223	T	61.3	Low	66.4	Low	38 Å²	38	93.1 Å²	93.1	23%	0.233	46%	0.464	C	S	.	.			trans	-79.2	77.5	168.8	54	0	0	0	0	108	I210 S221	I210-T223 PolarHBondContact O-N 3.28Å; I210-T223 PolarHBondContact O-OG1 3.34Å; S221-T223 PolarHBondContact O-N 2.88Å
224	E	48.4	Very low	65.1	Low	166 Å²	166	95.8 Å²	95.8	78%	0.776	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	143.1	176.8	-71.1	179.3	175.7	0	0	110.9	V222	V222-E224 HydrophobicContact CB-CG 4.17Å; V222-E224 HydrophobicContact CG1-CG 3.87Å; V222-E224 PolarHBondContact O-N 3.23Å
225	G	45.1	Very low	64	Low	74 Å²	74	93 Å²	93	76%	0.763	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	9.5	166.9	0	0	0	0	0	117	T227	G225-T227 PolarHBondContact O-N 3.18Å
226	I	48.7	Very low	62.7	Low	35 Å²	35	88.7 Å²	88.7	18%	0.179	46%	0.457	C	S	.	.			trans	-107.8	61.6	-178.2	-41.9	176.2	0	0	0	111.6	R228 L231 L232	I226-R228 VanDerWaalsContact CG2-O 3.3Å; I226-R228 WeakPolarHBondContact CG2-O 3.35Å; I226-R228 PolarHBondContact O-N 3.32Å; I226-L231 HydrophobicContact CG2-CB 4.17Å; I226-L232 HydrophobicContact CB-CB 4.21Å; I226-L232 HydrophobicContact CB-CD1 4.09Å; I226-L232 HydrophobicContact CD1-CB 4.48Å; I226-L232 HydrophobicContact CD1-CD1 3.27Å; I226-L232 HydrophobicContact CD1-CG 4.44Å; I226-L232 HydrophobicContact CG1-CD1 4.19Å; I226-L232 VanDerWaalsContact CG2-CA 3.49Å; I226-L232 HydrophobicContact CG2-CB 3.41Å; I226-L232 VanDerWaalsContact CG2-CB 3.41Å; I226-L232 HydrophobicContact CG2-CD1 4.15Å; I226-L232 HydrophobicContact CG2-CG 4.33Å
227	T	46.3	Very low	61.8	Low	139 Å²	139	88.4 Å²	88.4	85%	0.853	45%	0.445	S	S	*	.			trans	-63.9	-12.8	168.8	40.8	0	0	0	0	113	G225	G225-T227 PolarHBondContact O-N 3.18Å
228	R	52.8	Low	60.8	Low	182 Å²	182	86.3 Å²	86.3	69%	0.687	44%	0.44	S	S	*	.			trans	-106.8	98.7	173.5	-112.3	177.3	179.2	174.2	0.6	110.3	I226 R230 L231 L232	I226-R228 VanDerWaalsContact CG2-O 3.3Å; I226-R228 WeakPolarHBondContact CG2-O 3.35Å; I226-R228 PolarHBondContact O-N 3.32Å; R228-R230 PolarHBondContact O-N 2.84Å; R228-R230 VanDerWaalsContact O-N 3.07Å; R228-L231 HydrophobicContact CB-CB 4.15Å; R228-L231 HydrophobicContact CB-CD1 3.74Å; R228-L231 HydrophobicContact CB-CG 4.01Å; R228-L231 WeakPolarHBondContact O-CA 3.1Å; R228-L231 WeakPolarHBondContact O-CB 3.47Å; R228-L231 PolarHBondContact O-N 2.9Å; R228-L232 PolarHBondContact O-N 3.07Å; R228-L232 VanDerWaalsContact O-N 3.09Å
229	W	52.1	Low	59.9	Low	81 Å²	81	88.2 Å²	88.2	31%	0.307	45%	0.448	S	S	.	.	H	α-helix	trans	-50.5	-35.1	177.8	-60.8	120.8	0	0	0	114.1	L170 M173 P208 I210 L231 L232 F233	L170-W229 HydrophobicContact CD1-CD2 3.96Å; L170-W229 HydrophobicContact CD1-CE3 3.98Å; L170-W229 HydrophobicContact CD1-CG 4.42Å; L170-W229 HydrophobicContact CD1-CZ3 4.4Å; L170-W229 HydrophobicContact CD2-CE3 4.44Å; L170-W229 HydrophobicContact CD2-CH2 3.84Å; L170-W229 HydrophobicContact CD2-CZ2 4.08Å; L170-W229 HydrophobicContact CD2-CZ3 4.06Å; M173-W229 HydrophobicContact CE-CB 3.97Å; M173-W229 HydrophobicContact CE-CG 4.04Å; M173-W229 HydrophobicContact SD-CB 4.5Å; P208-W229 HydrophobicContact CG-CH2 3.7Å; P208-W229 HydrophobicContact CG-CZ2 3.67Å; I210-W229 HydrophobicContact CD1-CE3 4.27Å; I210-W229 HydrophobicContact CD1-CH2 3.87Å; I210-W229 HydrophobicContact CD1-CZ3 3.31Å; I210-W229 HydrophobicContact CG1-CZ3 4.42Å; W229-L231 VanDerWaalsContact C-N 3.33Å; W229-L231 PolarHBondContact O-N 2.98Å; W229-L232 HydrophobicContact CE3-CB 4.49Å; W229-L232 HydrophobicContact CE3-CD2 3.79Å; W229-L232 HydrophobicContact CZ3-CD2 3.79Å; W229-L232 WeakPolarHBondContact O-CB 3.22Å; W229-L232 PolarHBondContact O-N 2.97Å; W229-F233 WeakPolarHBondContact O-CB 3.21Å; W229-F233 PolarHBondContact O-N 3.25Å
230	R	52	Low	58.7	Low	218 Å²	218	80.2 Å²	80.2	82%	0.823	42%	0.415	S	S	*	.	H	α-helix	trans	-61.3	-38.1	173	-77.7	179	62.7	105.4	-2.9	113.3	R228 S234	R228-R230 PolarHBondContact O-N 2.84Å; R228-R230 VanDerWaalsContact O-N 3.07Å; R230-S234 WeakPolarHBondContact O-CB 3.45Å; R230-S234 PolarHBondContact O-N 3.28Å; R230-S234 PolarHBondContact O-OG 2.95Å
231	L	57.5	Low	57.9	Low	95 Å²	95	86 Å²	86	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-72	-35.5	174.8	-70	171.1	0	0	0	110.6	I226 R228 W229 S234 L235	I226-L231 HydrophobicContact CG2-CB 4.17Å; R228-L231 HydrophobicContact CB-CB 4.15Å; R228-L231 HydrophobicContact CB-CD1 3.74Å; R228-L231 HydrophobicContact CB-CG 4.01Å; R228-L231 WeakPolarHBondContact O-CA 3.1Å; R228-L231 WeakPolarHBondContact O-CB 3.47Å; R228-L231 PolarHBondContact O-N 2.9Å; W229-L231 VanDerWaalsContact C-N 3.33Å; W229-L231 PolarHBondContact O-N 2.98Å; L231-S234 WeakPolarHBondContact CA-OG 3.37Å; L231-S234 PolarHBondContact O-N 3.35Å; L231-S234 PolarHBondContact O-OG 3.27Å; L231-S234 VanDerWaalsContact O-OG 3.06Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 PolarHBondContact O-N 2.84Å
232	L	59	Low	56.8	Low	8 Å²	8	90.8 Å²	90.8	4%	0.042	45%	0.446	C	S	.	.	H	α-helix	trans	-61.4	-50.5	173.1	-172	68	0	0	0	109.5	I210 I226 R228 W229 S234 L235 L236	I210-L232 HydrophobicContact CD1-CD2 3.47Å; I210-L232 VanDerWaalsContact CD1-CD2 3.47Å; I226-L232 HydrophobicContact CB-CB 4.21Å; I226-L232 HydrophobicContact CB-CD1 4.09Å; I226-L232 HydrophobicContact CD1-CB 4.48Å; I226-L232 HydrophobicContact CD1-CD1 3.27Å; I226-L232 HydrophobicContact CD1-CG 4.44Å; I226-L232 HydrophobicContact CG1-CD1 4.19Å; I226-L232 VanDerWaalsContact CG2-CA 3.49Å; I226-L232 HydrophobicContact CG2-CB 3.41Å; I226-L232 VanDerWaalsContact CG2-CB 3.41Å; I226-L232 HydrophobicContact CG2-CD1 4.15Å; I226-L232 HydrophobicContact CG2-CG 4.33Å; R228-L232 PolarHBondContact O-N 3.07Å; R228-L232 VanDerWaalsContact O-N 3.09Å; W229-L232 HydrophobicContact CE3-CB 4.49Å; W229-L232 HydrophobicContact CE3-CD2 3.79Å; W229-L232 HydrophobicContact CZ3-CD2 3.79Å; W229-L232 WeakPolarHBondContact O-CB 3.22Å; W229-L232 PolarHBondContact O-N 2.97Å; L232-S234 PolarHBondContact O-N 3.31Å; L232-L235 PolarHBondContact O-N 2.97Å; L232-L236 HydrophobicContact CD1-CD1 3.99Å; L232-L236 HydrophobicContact CD1-CD2 4.5Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CD2-CD1 4.1Å; L232-L236 HydrophobicContact CG-CD1 3.56Å; L232-L236 HydrophobicContact CG-CG 4.02Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 WeakPolarHBondContact O-CG 3.21Å; L232-L236 PolarHBondContact O-N 2.97Å
233	F	60.5	Low	55.7	Low	59 Å²	59	92.3 Å²	92.3	26%	0.259	45%	0.449	S	S	.	.	H	α-helix	trans	-58.2	-48.7	-180	-141	-91.3	0	0	0	111	M173 L177 W229 I237	M173-F233 WeakPolarHBondContact O-CE2 3.43Å; L177-F233 HydrophobicContact CB-CE2 3.65Å; L177-F233 HydrophobicContact CB-CZ 3.91Å; L177-F233 HydrophobicContact CD1-CD1 4.44Å; L177-F233 HydrophobicContact CD1-CD2 3.98Å; L177-F233 HydrophobicContact CD1-CE1 4.06Å; L177-F233 HydrophobicContact CD1-CE2 3.6Å; L177-F233 HydrophobicContact CD1-CG 4.39Å; L177-F233 HydrophobicContact CD1-CZ 3.62Å; L177-F233 HydrophobicContact CG-CE2 4.12Å; L177-F233 HydrophobicContact CG-CZ 4.37Å; W229-F233 WeakPolarHBondContact O-CB 3.21Å; W229-F233 PolarHBondContact O-N 3.25Å; F233-I237 HydrophobicContact CD1-CD1 3.48Å; F233-I237 VanDerWaalsContact CD1-CD1 3.48Å; F233-I237 HydrophobicContact CD1-CG1 4.35Å; F233-I237 HydrophobicContact CE1-CD1 3.68Å; F233-I237 WeakPolarHBondContact O-CB 3.38Å; F233-I237 WeakPolarHBondContact O-CG1 3.27Å; F233-I237 PolarHBondContact O-N 2.87Å
234	S	63.3	Low	54.5	Low	56 Å²	56	96.1 Å²	96.1	39%	0.392	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-43.8	177.8	69.3	0	0	0	0	111.7	R230 L231 L232 I237 T238	R230-S234 WeakPolarHBondContact O-CB 3.45Å; R230-S234 PolarHBondContact O-N 3.28Å; R230-S234 PolarHBondContact O-OG 2.95Å; L231-S234 WeakPolarHBondContact CA-OG 3.37Å; L231-S234 PolarHBondContact O-N 3.35Å; L231-S234 PolarHBondContact O-OG 3.27Å; L231-S234 VanDerWaalsContact O-OG 3.06Å; L232-S234 PolarHBondContact O-N 3.31Å; S234-I237 PolarHBondContact O-N 2.85Å; S234-T238 VanDerWaalsContact O-CB 3.3Å; S234-T238 WeakPolarHBondContact O-CB 3.02Å; S234-T238 PolarHBondContact O-N 3.12Å; S234-T238 PolarHBondContact O-OG1 3.27Å
235	L	62.7	Low	53.7	Low	74 Å²	74	97.5 Å²	97.5	39%	0.387	48%	0.478	S	S	.	.	H	α-helix	trans	-72.2	-35.7	-175.8	-157.6	148	0	0	0	111.9	L231 L232 T238 R239	L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 PolarHBondContact O-N 2.84Å; L232-L235 PolarHBondContact O-N 2.97Å; L235-T238 PolarHBondContact O-N 3.26Å; L235-R239 WeakPolarHBondContact O-CB 3.5Å; L235-R239 PolarHBondContact O-N 2.86Å
236	L	59.9	Low	53.3	Low	23 Å²	23	99.9 Å²	99.9	12%	0.12	48%	0.48	C	S	.	.	H	α-helix	trans	-66.8	-46.1	171.1	-71.6	172.1	0	0	0	111.3	L156 L177 L232 T238 R239 A240	L156-L236 HydrophobicContact CD1-CD2 3.95Å; L156-L236 HydrophobicContact CD2-CD1 3.27Å; L156-L236 HydrophobicContact CD2-CD2 3.84Å; L156-L236 HydrophobicContact CD2-CG 4.19Å; L177-L236 HydrophobicContact CD2-CD1 4.01Å; L232-L236 HydrophobicContact CD1-CD1 3.99Å; L232-L236 HydrophobicContact CD1-CD2 4.5Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CD2-CD1 4.1Å; L232-L236 HydrophobicContact CG-CD1 3.56Å; L232-L236 HydrophobicContact CG-CG 4.02Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 WeakPolarHBondContact O-CG 3.21Å; L232-L236 PolarHBondContact O-N 2.97Å; L236-T238 VanDerWaalsContact C-N 3.29Å; L236-T238 PolarHBondContact O-N 3.26Å; L236-R239 PolarHBondContact O-N 3.48Å; L236-A240 WeakPolarHBondContact O-CB 3.31Å; L236-A240 PolarHBondContact O-N 3.19Å
237	I	62.1	Low	52.7	Low	33 Å²	33	103.5 Å²	103.5	17%	0.169	51%	0.508	C	S	.	.	H	α-helix	trans	-59.8	-42.8	173.7	-70.7	173	0	0	0	110.2	F181 F233 S234 K241	F181-I237 HydrophobicContact CZ-CG1 4.3Å; F233-I237 HydrophobicContact CD1-CD1 3.48Å; F233-I237 VanDerWaalsContact CD1-CD1 3.48Å; F233-I237 HydrophobicContact CD1-CG1 4.35Å; F233-I237 HydrophobicContact CE1-CD1 3.68Å; F233-I237 WeakPolarHBondContact O-CB 3.38Å; F233-I237 WeakPolarHBondContact O-CG1 3.27Å; F233-I237 PolarHBondContact O-N 2.87Å; S234-I237 PolarHBondContact O-N 2.85Å; I237-K241 HydrophobicContact CG2-CD 4.1Å; I237-K241 WeakPolarHBondContact O-CB 3.26Å; I237-K241 WeakPolarHBondContact O-CG 3.18Å; I237-K241 PolarHBondContact O-N 3.49Å
238	T	62.8	Low	52	Low	68 Å²	68	104.7 Å²	104.7	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-67.7	-43.8	178.6	-62.6	0	0	0	0	112.4	S234 L235 L236 K241 K242	S234-T238 VanDerWaalsContact O-CB 3.3Å; S234-T238 WeakPolarHBondContact O-CB 3.02Å; S234-T238 PolarHBondContact O-N 3.12Å; S234-T238 PolarHBondContact O-OG1 3.27Å; L235-T238 PolarHBondContact O-N 3.26Å; L236-T238 VanDerWaalsContact C-N 3.29Å; L236-T238 PolarHBondContact O-N 3.26Å; T238-K241 PolarHBondContact O-N 3.45Å; T238-K242 HydrophobicContact CG2-CD 4.48Å; T238-K242 WeakPolarHBondContact O-CG 3.03Å; T238-K242 PolarHBondContact O-N 3.49Å
239	R	58.8	Low	51	Low	175 Å²	175	104 Å²	104	66%	0.66	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-46.8	177	-109.6	-178.2	165.3	108.2	-1.3	111.3	L235 L236 K241 K242 E243	L235-R239 WeakPolarHBondContact O-CB 3.5Å; L235-R239 PolarHBondContact O-N 2.86Å; L236-R239 PolarHBondContact O-N 3.48Å; R239-K241 PolarHBondContact O-N 2.88Å; R239-K242 PolarHBondContact O-N 3.11Å; R239-E243 PolarHBondContact O-N 3.25Å
240	A	56.3	Low	50	Low	10 Å²	10	109.7 Å²	109.7	8%	0.083	55%	0.545	C	S	.	.	H	α-helix	trans	-60.5	-33.8	176.2	0	0	0	0	0	111.5	F181 K186 V187 L236 K242	F181-A240 HydrophobicContact CE1-CB 3.54Å; F181-A240 HydrophobicContact CZ-CB 3.66Å; K186-A240 HydrophobicContact CB-CB 4.15Å; K186-A240 HydrophobicContact CD-CB 4.41Å; K186-A240 WeakPolarHBondContact CD-O 3.5Å; K186-A240 WeakPolarHBondContact CE-O 3.42Å; K186-A240 WeakPolarHBondContact CG-O 3.42Å; V187-A240 HydrophobicContact CG1-CB 4.46Å; L236-A240 WeakPolarHBondContact O-CB 3.31Å; L236-A240 PolarHBondContact O-N 3.19Å; A240-K242 VanDerWaalsContact C-N 3.3Å; A240-K242 PolarHBondContact O-N 2.99Å
241	K	59.2	Low	49	Very low	143 Å²	143	108.2 Å²	108.2	62%	0.622	55%	0.547	S	S	*	.	H	α-helix	trans	-66.8	-25.5	172.6	-79.2	176.1	-179.3	-177.3	0	114.4	I237 T238 R239	I237-K241 HydrophobicContact CG2-CD 4.1Å; I237-K241 WeakPolarHBondContact O-CB 3.26Å; I237-K241 WeakPolarHBondContact O-CG 3.18Å; I237-K241 PolarHBondContact O-N 3.49Å; T238-K241 PolarHBondContact O-N 3.45Å; R239-K241 PolarHBondContact O-N 2.88Å
242	K	55.4	Low	47.8	Very low	166 Å²	166	113 Å²	113	72%	0.722	56%	0.564	S	S	*	*	H	α-helix	trans	-96.5	-13.9	-173.6	-73.9	-177.2	178	-174	0	115.4	T238 R239 A240	T238-K242 HydrophobicContact CG2-CD 4.48Å; T238-K242 WeakPolarHBondContact O-CG 3.03Å; T238-K242 PolarHBondContact O-N 3.49Å; R239-K242 PolarHBondContact O-N 3.11Å; A240-K242 VanDerWaalsContact C-N 3.3Å; A240-K242 PolarHBondContact O-N 2.99Å
243	E	45.8	Very low	46.6	Very low	95 Å²	95	118.6 Å²	118.6	44%	0.444	60%	0.601	S	S	.	*	S	Bend	trans	-66.8	126.8	177.2	-75.6	-159.4	170.7	0	0	111.4	Y212 R239	Y212-E243 PolarHBondContact OH-OE1 3.41Å; R239-E243 PolarHBondContact O-N 3.25Å
244	P	35.5	Very low	45.5	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-71.7	145.8	-176.3	26.7	-31.1	0	0	0	111.9
245	K	33	Very low	44.4	Very low	196 Å²	196	130 Å²	130	85%	0.852	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.8	135.2	177.1	-70.6	178.3	179.5	176.3	0	110	S247	K245-S247 PolarHBondContact O-N 3.25Å
246	P	35.8	Very low	43.2	Very low	124 Å²	124	136.1 Å²	136.1	81%	0.805	67%	0.674	S	S	*	*			trans	-59.2	106.2	168.7	-18.7	30.1	0	0	0	108.4	L248	P246-L248 PolarHBondContact O-N 2.89Å
247	S	35.9	Very low	42.4	Very low	110 Å²	110	140 Å²	140	77%	0.769	70%	0.704	S	S	*	*			trans	-62.7	122.2	176.7	52.5	0	0	0	0	108.7	K245 L249	K245-S247 PolarHBondContact O-N 3.25Å; S247-L249 PolarHBondContact O-N 2.82Å; S247-L249 VanDerWaalsContact O-N 3.1Å
248	L	31.6	Very low	41.4	Very low	165 Å²	165	145 Å²	145	86%	0.864	74%	0.736	S	S	*	*			trans	-31.6	110.7	172.5	-71.8	147.9	0	0	0	111.2	P246 K250	P246-L248 PolarHBondContact O-N 2.89Å; L248-K250 PolarHBondContact O-N 3.14Å
249	L	31.1	Very low	40.3	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	76%	0.755	S	S	*	*			trans	-49.5	110.2	164.3	-82.6	154.3	0	0	0	107	S247 Q251	S247-L249 PolarHBondContact O-N 2.82Å; S247-L249 VanDerWaalsContact O-N 3.1Å; L249-Q251 PolarHBondContact O-N 3.1Å
250	K	31.4	Very low	39.6	Very low	200 Å²	200	148.4 Å²	148.4	87%	0.87	77%	0.765	S	S	*	*			trans	-47.6	98.4	178.5	-68.9	174.7	177.5	177.7	0	109.1	L248 K252	L248-K250 PolarHBondContact O-N 3.14Å; K250-K252 PolarHBondContact O-N 2.94Å; K250-K252 VanDerWaalsContact O-N 3.14Å
251	Q	32	Very low	38.7	Very low	188 Å²	188	153 Å²	153	88%	0.879	80%	0.796	S	S	*	*			trans	-63.7	114.1	163.3	-73.5	-179.9	-4	0	0	106	L249	L249-Q251 PolarHBondContact O-N 3.1Å
252	K	31.4	Very low	38	Very low	195 Å²	195	159.8 Å²	159.8	85%	0.848	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-54.7	140.6	178.7	-76.9	-179.9	176.6	178.6	0	109.4	K250 N254	K250-K252 PolarHBondContact O-N 2.94Å; K250-K252 VanDerWaalsContact O-N 3.14Å; K252-N254 PolarHBondContact O-N 3.45Å
253	P	35.1	Very low	37.1	Very low	125 Å²	125	159.5 Å²	159.5	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.8	123.2	-171.9	23.7	-31.2	0	0	0	110.9	K255	P253-K255 PolarHBondContact O-N 3.25Å
254	N	36.5	Very low	36.7	Very low	158 Å²	158	162.9 Å²	162.9	85%	0.845	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-65.6	126.8	174.2	-154.9	1.7	0	0	0	108.9	K252 K256	K252-N254 PolarHBondContact O-N 3.45Å; N254-K256 PolarHBondContact O-N 3.17Å; N254-K256 VanDerWaalsContact O-N 3.17Å
255	K	39.3	Very low	36.7	Very low	197 Å²	197	165.4 Å²	165.4	86%	0.857	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-56.9	116.5	-177.2	-74.9	176.5	175.1	179.3	0	109.6	P253 S257	P253-K255 PolarHBondContact O-N 3.25Å; K255-S257 PolarHBondContact O-N 3.1Å; K255-S257 VanDerWaalsContact O-N 3.1Å
256	K	39.5	Very low	36.9	Very low	202 Å²	202	163.6 Å²	163.6	88%	0.878	86%	0.855	S	S	*	*			trans	-66	107.8	169.1	-77	-177	176.6	-179.3	0	108.5	N254 T258	N254-K256 PolarHBondContact O-N 3.17Å; N254-K256 VanDerWaalsContact O-N 3.17Å; K256-T258 PolarHBondContact O-N 3.18Å
257	S	41.2	Very low	37	Very low	106 Å²	106	166.1 Å²	166.1	74%	0.741	86%	0.858	S	S	*	*			trans	-64.4	108.6	163.3	57.6	0	0	0	0	108.8	K255 K259	K255-S257 PolarHBondContact O-N 3.1Å; K255-S257 VanDerWaalsContact O-N 3.1Å; S257-K259 PolarHBondContact O-N 3.22Å
258	T	41.5	Very low	37.1	Very low	137 Å²	137	169.8 Å²	169.8	84%	0.84	86%	0.864	S	S	*	*			trans	-67	106.3	169.3	44.6	0	0	0	0	109.2	K256	K256-T258 PolarHBondContact O-N 3.18Å
259	K	40.6	Very low	37.5	Very low	191 Å²	191	170.1 Å²	170.1	83%	0.83	86%	0.864	S	S	*	*			trans	-75.4	115.8	159.6	-75.4	-178.3	174.6	-177.8	0	107.4	S257	S257-K259 PolarHBondContact O-N 3.22Å
260	S	43	Very low	38	Very low	123 Å²	123	170.4 Å²	170.4	86%	0.86	86%	0.864	S	S	*	*			trans	-95.6	114.8	159.8	-177.9	0	0	0	0	106.8
261	C	37.5	Very low	38.5	Very low	108 Å²	108	167.9 Å²	167.9	73%	0.73	86%	0.863	S	S	*	*			trans	-83.2	139.2	-179.9	-75.5	0	0	0	0	110.8
262	K	44.7	Very low	39.1	Very low	285 Å²	285	166.1 Å²	166.1	100%	1.239	86%	0.862	S	S	*	*			trans	54	0	156.1	-71.3	-172	176.7	-176.3	0	118.8

Retrieved 262 of 262 residues in 511.5 ms (Link to these results)

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