A0A077Z9P1_TRITR Loading...

Pre-SET and SET domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9P1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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	86.4	Confident	96.1	Very high	118 Å²	118	64.2 Å²	64.2	58%	0.581	38%	0.383	S	S	*	.				0	134.2	0	-68.4	-63.8	-66.6	0	0	107.1	F20 A21 P22 R125	M1-F20 HydrophobicContact CB-CB 4.45Å; M1-F20 VanDerWaalsContact CE-C 3.47Å; M1-F20 HydrophobicContact CE-CB 3.88Å; M1-F20 WeakPolarHBondContact CE-O 3.42Å; M1-A21 CarbonylContact C-O 3.55Å; M1-A21 WeakPolarHBondContact CA-O 3.23Å; M1-P22 HydrophobicContact SD-CG 4.06Å; M1-R125 HydrophobicContact CE-CG 3.49Å; M1-R125 VanDerWaalsContact CE-CG 3.49Å
2	I	94.3	Very high	96.3	Very high	75 Å²	75	68 Å²	68	39%	0.385	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	146.1	174.8	65.2	169.5	0	0	0	109.5	L4 F20 A21	I2-L4 HydrophobicContact CD1-CD2 3.66Å; I2-L4 HydrophobicContact CG1-CD2 3.81Å; I2-L4 PolarHBondContact O-N 2.81Å; I2-F20 VanDerWaalsContact O-CA 3.27Å; I2-F20 WeakPolarHBondContact O-CA 3.4Å; I2-A21 WeakPolarHBondContact CG1-O 3.4Å; I2-A21 PolarHBondContact N-O 2.73Å; I2-A21 PolarHBondContact O-N 2.99Å
3	Q	96.6	Very high	96.4	Very high	106 Å²	106	64.6 Å²	64.6	50%	0.495	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.2	172.4	-170.4	173.3	7.9	0	0	108.9	C5 S18 L19 F20	Q3-C5 PolarHBondContact NE2-O 3.5Å; Q3-S18 PolarHBondContact NE2-OG 3.43Å; Q3-L19 CarbonylContact C-O 3.56Å; Q3-L19 WeakPolarHBondContact CA-O 3.49Å; Q3-F20 HydrophobicContact CB-CD1 3.97Å; Q3-F20 HydrophobicContact CB-CE1 3.64Å; Q3-F20 HydrophobicContact CB-CZ 4.25Å; Q3-F20 HydrophobicContact CG-CD1 4.46Å; Q3-F20 HydrophobicContact CG-CE1 4.01Å; Q3-F20 HydrophobicContact CG-CZ 4.11Å
4	L	96.7	Very high	96.5	Very high	57 Å²	57	66.2 Å²	66.2	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-31.3	178.1	-62.4	-173.6	0	0	0	112.3	I2 L19 A21 Y26 W132	I2-L4 HydrophobicContact CD1-CD2 3.66Å; I2-L4 HydrophobicContact CG1-CD2 3.81Å; I2-L4 PolarHBondContact O-N 2.81Å; L4-L19 HydrophobicContact CB-CD2 3.95Å; L4-L19 HydrophobicContact CB-CG 4.15Å; L4-L19 HydrophobicContact CD1-CD2 4.26Å; L4-L19 PolarHBondContact N-O 2.91Å; L4-A21 HydrophobicContact CD1-CB 3.4Å; L4-A21 VanDerWaalsContact CD1-CB 3.4Å; L4-A21 HydrophobicContact CD2-CB 4.41Å; L4-A21 HydrophobicContact CG-CB 3.87Å; L4-Y26 VanDerWaalsContact CD1-O 3.23Å; L4-Y26 WeakPolarHBondContact CD1-O 3.27Å; L4-W132 HydrophobicContact CD1-CH2 4.32Å
5	C	96.8	Very high	96.5	Very high	46 Å²	46	63.9 Å²	63.9	31%	0.311	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.3	-179.8	-172.1	0	0	0	0	110.2	Q3 D7 I8 L19	Q3-C5 PolarHBondContact NE2-O 3.5Å; C5-D7 VanDerWaalsContact SG-C 3.6Å; C5-D7 PolarHBondContact SG-O 3.25Å; C5-I8 HydrophobicContact CB-CG2 4.27Å; C5-L19 HydrophobicContact CB-CB 3.81Å; C5-L19 HydrophobicContact CB-CD2 4.24Å; C5-L19 PolarHBondContact N-O 3.01Å; C5-L19 PolarHBondContact O-N 3.5Å
6	G	97.4	Very high	96.6	Very high	44 Å²	44	63.4 Å²	63.4	45%	0.454	37%	0.37	S	S	.	.	S	Bend	trans	-64.1	-42.6	174.6	0	0	0	0	0	112.7	S18	G6-S18 WeakPolarHBondContact O-CA 3.39Å; G6-S18 PolarHBondContact O-OG 2.92Å
7	D	98.3	Very high	96.7	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.171	35%	0.349	C	S	.	.			trans	-156.7	108.9	-175	178.4	19.1	0	0	0	111.2	C5 S9 N10 G11 P16 V17	C5-D7 VanDerWaalsContact SG-C 3.6Å; C5-D7 PolarHBondContact SG-O 3.25Å; D7-S9 VanDerWaalsContact CG-OG 3.24Å; D7-S9 PolarHBondContact O-N 3.41Å; D7-S9 WeakPolarHBondContact OD1-CA 3.44Å; D7-S9 VanDerWaalsContact OD1-CB 3.28Å; D7-S9 WeakPolarHBondContact OD1-CB 3.48Å; D7-S9 PolarHBondContact OD1-N 3.47Å; D7-S9 PolarHBondContact OD1-OG 3.4Å; D7-S9 PolarHBondContact OD2-OG 2.89Å; D7-N10 PolarHBondContact O-N 2.76Å; D7-N10 PolarHBondContact OD2-N 2.8Å; D7-G11 PolarHBondContact OD2-N 3.48Å; D7-P16 HydrophobicContact CB-CB 3.74Å; D7-V17 CarbonylContact C-O 3.59Å; D7-V17 WeakPolarHBondContact CA-O 3.4Å; D7-V17 PolarHBondContact OD1-N 3.45Å
8	I	98.1	Very high	96.8	Very high	22 Å²	22	57.5 Å²	57.5	11%	0.113	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.7	177	66.3	165.2	0	0	0	112.8	C5 N10 V17 L19 L28 Y33 V124 F194	C5-I8 HydrophobicContact CB-CG2 4.27Å; I8-N10 VanDerWaalsContact C-N 3.3Å; I8-V17 HydrophobicContact CD1-CB 4.42Å; I8-V17 HydrophobicContact CD1-CG1 3.9Å; I8-V17 HydrophobicContact CG1-CB 3.78Å; I8-V17 HydrophobicContact CG1-CG1 3.79Å; I8-V17 WeakPolarHBondContact CG1-O 3.47Å; I8-V17 PolarHBondContact N-O 3.49Å; I8-L19 HydrophobicContact CG2-CB 3.8Å; I8-L19 HydrophobicContact CG2-CD2 4.43Å; I8-L28 HydrophobicContact CG2-CD1 3.95Å; I8-Y33 HydrophobicContact CD1-CD2 4.42Å; I8-Y33 HydrophobicContact CD1-CE2 4.17Å; I8-Y33 HydrophobicContact CG1-CD2 4.23Å; I8-Y33 HydrophobicContact CG1-CE2 4.08Å; I8-Y33 WeakPolarHBondContact O-CD2 3.48Å; I8-V124 HydrophobicContact CD1-CG2 3.83Å; I8-F194 HydrophobicContact CD1-CD2 4.23Å; I8-F194 HydrophobicContact CD1-CE2 3.61Å; I8-F194 HydrophobicContact CD1-CZ 4.4Å
9	S	98	Very high	96.9	Very high	1 Å²	1	55 Å²	55	1%	0.007	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-18.3	174.8	86.7	0	0	0	0	112.5	D7 G11 K12 E13	D7-S9 VanDerWaalsContact CG-OG 3.24Å; D7-S9 PolarHBondContact O-N 3.41Å; D7-S9 WeakPolarHBondContact OD1-CA 3.44Å; D7-S9 VanDerWaalsContact OD1-CB 3.28Å; D7-S9 WeakPolarHBondContact OD1-CB 3.48Å; D7-S9 PolarHBondContact OD1-N 3.47Å; D7-S9 PolarHBondContact OD1-OG 3.4Å; D7-S9 PolarHBondContact OD2-OG 2.89Å; S9-G11 VanDerWaalsContact C-N 3.35Å; S9-G11 PolarHBondContact OG-N 2.82Å; S9-K12 WeakPolarHBondContact O-CB 3.39Å; S9-K12 VanDerWaalsContact O-CG 3.25Å; S9-K12 WeakPolarHBondContact O-CG 3.3Å; S9-K12 PolarHBondContact O-N 2.96Å; S9-K12 PolarHBondContact OG-N 3.24Å; S9-E13 PolarHBondContact OG-N 3.47Å
10	N	97.3	Very high	96.9	Very high	144 Å²	144	55 Å²	55	77%	0.77	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	49	-174.7	-168.4	53.2	0	0	0	112.4	D7 I8 K12	D7-N10 PolarHBondContact O-N 2.76Å; D7-N10 PolarHBondContact OD2-N 2.8Å; I8-N10 VanDerWaalsContact C-N 3.3Å; N10-K12 VanDerWaalsContact C-N 3.32Å; N10-K12 PolarHBondContact O-N 3.37Å
11	G	97.7	Very high	96.9	Very high	61 Å²	61	52.4 Å²	52.4	63%	0.629	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	10.8	177.8	0	0	0	0	0	115.2	D7 S9	D7-G11 PolarHBondContact OD2-N 3.48Å; S9-G11 VanDerWaalsContact C-N 3.35Å; S9-G11 PolarHBondContact OG-N 2.82Å
12	K	97.8	Very high	97.4	Very high	110 Å²	110	50.1 Å²	50.1	48%	0.478	30%	0.297	S	S	.	.	S	Bend	trans	-79.1	-32.8	178.9	-68.9	-177.3	-178.8	-170.7	0	112.9	S9 N10 Y33 T35	S9-K12 WeakPolarHBondContact O-CB 3.39Å; S9-K12 VanDerWaalsContact O-CG 3.25Å; S9-K12 WeakPolarHBondContact O-CG 3.3Å; S9-K12 PolarHBondContact O-N 2.96Å; S9-K12 PolarHBondContact OG-N 3.24Å; N10-K12 VanDerWaalsContact C-N 3.32Å; N10-K12 PolarHBondContact O-N 3.37Å; K12-Y33 HydrophobicContact CB-CD1 4.44Å; K12-Y33 HydrophobicContact CD-CD1 4.31Å; K12-Y33 PolarHBondContact NZ-O 2.87Å; K12-T35 HydrophobicContact CB-CG2 3.78Å
13	E	98	Very high	97.4	Very high	24 Å²	24	48.7 Å²	48.7	11%	0.112	29%	0.294	C	S	.	.	S	Bend	trans	-87.6	150.7	169.4	-58.8	-69.3	-177.4	0	0	109.4	S9 V15 Y33 T35 L118	S9-E13 PolarHBondContact OG-N 3.47Å; E13-V15 WeakPolarHBondContact CB-O 3.42Å; E13-V15 PolarHBondContact O-N 2.81Å; E13-Y33 HydrophobicContact CG-CE1 3.81Å; E13-Y33 VanDerWaalsContact CG-OH 3.3Å; E13-Y33 WeakPolarHBondContact CG-OH 3.45Å; E13-Y33 WeakPolarHBondContact OE1-CE1 3.43Å; E13-Y33 PolarHBondContact OE1-OH 3.46Å; E13-T35 HydrophobicContact CG-CG2 4.33Å; E13-L118 HydrophobicContact CB-CD2 3.98Å; E13-L118 HydrophobicContact CG-CD2 3.89Å
14	P	97.3	Very high	97.2	Very high	87 Å²	87	48.6 Å²	48.6	57%	0.565	31%	0.305	S	S	*	.	S	Bend	trans	-68.7	-19.5	176.4	33.2	-42	0	0	0	113.4	P117 L118	P14-P117 HydrophobicContact CG-CB 4.05Å; P14-L118 HydrophobicContact CG-CB 4.45Å; P14-L118 WeakPolarHBondContact CG-O 3.12Å
15	V	97.3	Very high	97	Very high	31 Å²	31	50.2 Å²	50.2	19%	0.188	33%	0.326	C	S	.	.	S	Bend	trans	-119.3	135.3	175	-63.9	0	0	0	0	109	E13 L118	E13-V15 WeakPolarHBondContact CB-O 3.42Å; E13-V15 PolarHBondContact O-N 2.81Å; V15-L118 HydrophobicContact CG2-CB 4.32Å; V15-L118 HydrophobicContact CG2-CD2 3.62Å; V15-L118 HydrophobicContact CG2-CG 3.71Å
16	P	98	Very high	96.9	Very high	57 Å²	57	52.3 Å²	52.3	37%	0.37	33%	0.328	S	S	.	.			trans	-67.1	147.3	-175.3	27.7	-34.9	0	0	0	111.1	D7 Q121	D7-P16 HydrophobicContact CB-CB 3.74Å; P16-Q121 PolarHBondContact O-NE2 2.79Å
17	V	98.3	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.337	C	S	.	.			trans	-110.8	98	172.9	-176.5	0	0	0	0	109.1	D7 I8 L118 V124 L191	D7-V17 CarbonylContact C-O 3.59Å; D7-V17 WeakPolarHBondContact CA-O 3.4Å; D7-V17 PolarHBondContact OD1-N 3.45Å; I8-V17 HydrophobicContact CD1-CB 4.42Å; I8-V17 HydrophobicContact CD1-CG1 3.9Å; I8-V17 HydrophobicContact CG1-CB 3.78Å; I8-V17 HydrophobicContact CG1-CG1 3.79Å; I8-V17 WeakPolarHBondContact CG1-O 3.47Å; I8-V17 PolarHBondContact N-O 3.49Å; V17-L118 HydrophobicContact CG2-CD2 4.18Å; V17-V124 HydrophobicContact CG1-CG2 4.14Å; V17-L191 HydrophobicContact CG1-CB 4.2Å; V17-L191 HydrophobicContact CG2-CB 4.47Å; V17-L191 HydrophobicContact CG2-CD1 4.27Å
18	S	98.1	Very high	96.5	Very high	20 Å²	20	54 Å²	54	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	153.7	-174.4	-59.4	0	0	0	0	113.4	Q3 G6 H123 V124	Q3-S18 PolarHBondContact NE2-OG 3.43Å; G6-S18 WeakPolarHBondContact O-CA 3.39Å; G6-S18 PolarHBondContact O-OG 2.92Å; S18-H123 CarbonylContact O-C 3.59Å; S18-H123 WeakPolarHBondContact O-CA 3.33Å; S18-V124 PolarHBondContact O-N 3.49Å
19	L	98.2	Very high	96.2	Very high	10 Å²	10	56 Å²	56	5%	0.052	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.5	179.1	-179.8	66.3	0	0	0	111.5	Q3 L4 C5 I8 L28 V124 W132	Q3-L19 CarbonylContact C-O 3.56Å; Q3-L19 WeakPolarHBondContact CA-O 3.49Å; L4-L19 HydrophobicContact CB-CD2 3.95Å; L4-L19 HydrophobicContact CB-CG 4.15Å; L4-L19 HydrophobicContact CD1-CD2 4.26Å; L4-L19 PolarHBondContact N-O 2.91Å; C5-L19 HydrophobicContact CB-CB 3.81Å; C5-L19 HydrophobicContact CB-CD2 4.24Å; C5-L19 PolarHBondContact N-O 3.01Å; C5-L19 PolarHBondContact O-N 3.5Å; I8-L19 HydrophobicContact CG2-CB 3.8Å; I8-L19 HydrophobicContact CG2-CD2 4.43Å; L19-L28 HydrophobicContact CD1-CD1 4Å; L19-L28 HydrophobicContact CD1-CD2 3.87Å; L19-L28 HydrophobicContact CD1-CG 3.95Å; L19-L28 HydrophobicContact CD2-CD1 3.79Å; L19-L28 HydrophobicContact CD2-CG 3.74Å; L19-L28 HydrophobicContact CG-CD1 4.48Å; L19-V124 CarbonylContact C-O 3.54Å; L19-V124 WeakPolarHBondContact CA-O 3.29Å; L19-V124 HydrophobicContact CD1-CB 3.85Å; L19-V124 HydrophobicContact CD1-CG1 3.67Å; L19-W132 HydrophobicContact CD1-CE3 3.72Å; L19-W132 HydrophobicContact CD1-CH2 3.92Å; L19-W132 HydrophobicContact CD1-CZ3 3.33Å; L19-W132 HydrophobicContact CG-CH2 4.45Å; L19-W132 HydrophobicContact CG-CZ3 4.18Å
20	F	97.9	Very high	96.1	Very high	55 Å²	55	66.1 Å²	66.1	24%	0.241	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138	179.1	-65.3	-93.4	0	0	0	113.1	M1 I2 Q3 H123 V124 R125 H126 W132	M1-F20 HydrophobicContact CB-CB 4.45Å; M1-F20 VanDerWaalsContact CE-C 3.47Å; M1-F20 HydrophobicContact CE-CB 3.88Å; M1-F20 WeakPolarHBondContact CE-O 3.42Å; I2-F20 VanDerWaalsContact O-CA 3.27Å; I2-F20 WeakPolarHBondContact O-CA 3.4Å; Q3-F20 HydrophobicContact CB-CD1 3.97Å; Q3-F20 HydrophobicContact CB-CE1 3.64Å; Q3-F20 HydrophobicContact CB-CZ 4.25Å; Q3-F20 HydrophobicContact CG-CD1 4.46Å; Q3-F20 HydrophobicContact CG-CE1 4.01Å; Q3-F20 HydrophobicContact CG-CZ 4.11Å; F20-H123 HydrophobicContact CD2-CB 3.99Å; F20-H123 HydrophobicContact CE2-CB 3.89Å; F20-V124 PolarHBondContact N-O 3.09Å; F20-R125 WeakPolarHBondContact O-CA 3.35Å; F20-H126 PolarHBondContact O-N 2.6Å; F20-W132 WeakPolarHBondContact O-CZ3 3.37Å
21	A	97.1	Very high	96.1	Very high	0 Å²	0	61 Å²	61	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	166.7	173.6	0	0	0	0	0	113.2	M1 I2 L4 S23 Y26 W132	M1-A21 CarbonylContact C-O 3.55Å; M1-A21 WeakPolarHBondContact CA-O 3.23Å; I2-A21 WeakPolarHBondContact CG1-O 3.4Å; I2-A21 PolarHBondContact N-O 2.73Å; I2-A21 PolarHBondContact O-N 2.99Å; L4-A21 HydrophobicContact CD1-CB 3.4Å; L4-A21 VanDerWaalsContact CD1-CB 3.4Å; L4-A21 HydrophobicContact CD2-CB 4.41Å; L4-A21 HydrophobicContact CG-CB 3.87Å; A21-S23 VanDerWaalsContact C-N 3.32Å; A21-Y26 HydrophobicContact CB-CD2 4.11Å; A21-Y26 HydrophobicContact CB-CG 4.03Å; A21-W132 HydrophobicContact CB-CH2 4.05Å; A21-W132 HydrophobicContact CB-CZ3 4.41Å
22	P	95.8	Very high	96.1	Very high	70 Å²	70	61.2 Å²	61.2	46%	0.455	36%	0.356	S	S	.	.	S	Bend	trans	-65	-31.2	173.8	-24.6	34.9	0	0	0	114.1	M1 Y26	M1-P22 HydrophobicContact SD-CG 4.06Å; P22-Y26 HydrophobicContact CB-CE2 4.11Å; P22-Y26 HydrophobicContact CG-CE2 4.06Å
23	S	94.8	Very high	96.1	Very high	45 Å²	45	56.5 Å²	56.5	32%	0.315	34%	0.335	S	S	.	.	S	Bend	trans	-153.2	169.6	179.8	70.8	0	0	0	0	111.2	A21 A25 Y26	A21-S23 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 2.98Å; S23-A25 PolarHBondContact OG-N 2.88Å; S23-Y26 PolarHBondContact O-N 2.88Å
24	S	92.6	Very high	96.1	Very high	105 Å²	105	56 Å²	56	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.5	179	52	0	0	0	0	114	Y26	S24-Y26 PolarHBondContact O-N 2.87Å
25	A	92.7	Very high	96.1	Very high	90 Å²	90	54.3 Å²	54.3	74%	0.744	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.8	176.3	0	0	0	0	0	113.1	S23	S23-A25 PolarHBondContact O-N 2.98Å; S23-A25 PolarHBondContact OG-N 2.88Å
26	Y	94.5	Very high	95.9	Very high	90 Å²	90	55.5 Å²	55.5	35%	0.353	33%	0.332	S	S	.	.			trans	-85.7	140.9	177.4	-69.9	-90.3	0	0	0	110.9	L4 A21 P22 S23 S24 H126	L4-Y26 VanDerWaalsContact CD1-O 3.23Å; L4-Y26 WeakPolarHBondContact CD1-O 3.27Å; A21-Y26 HydrophobicContact CB-CD2 4.11Å; A21-Y26 HydrophobicContact CB-CG 4.03Å; P22-Y26 HydrophobicContact CB-CE2 4.11Å; P22-Y26 HydrophobicContact CG-CE2 4.06Å; S23-Y26 PolarHBondContact O-N 2.88Å; S24-Y26 PolarHBondContact O-N 2.87Å; Y26-H126 AromaticContact CD1-CD2 3.6Å; Y26-H126 AromaticContact CD1-CG 3.85Å; Y26-H126 AromaticContact CD1-NE2 3.73Å; Y26-H126 AromaticContact CE1-CD2 3.73Å; Y26-H126 AromaticContact CE1-CE1 3.35Å; Y26-H126 WeakPolarHBondContact CE1-CE1 3.33Å; Y26-H126 AromaticContact CE1-CG 3.83Å; Y26-H126 AromaticContact CE1-ND1 3.59Å; Y26-H126 AromaticContact CE1-NE2 3.42Å; Y26-H126 WeakPolarHBondContact CE1-NE2 3.49Å
27	A	92.8	Very high	95.8	Very high	77 Å²	77	54.2 Å²	54.2	64%	0.636	32%	0.322	S	S	*	.			trans	-139.3	150.6	172	0	0	0	0	0	110.2
28	L	94.3	Very high	95.6	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.188	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-67	144.6	166.8	-68.4	177.2	0	0	0	109.3	I8 L19 F31 V124 W132 F194	I8-L28 HydrophobicContact CG2-CD1 3.95Å; L19-L28 HydrophobicContact CD1-CD1 4Å; L19-L28 HydrophobicContact CD1-CD2 3.87Å; L19-L28 HydrophobicContact CD1-CG 3.95Å; L19-L28 HydrophobicContact CD2-CD1 3.79Å; L19-L28 HydrophobicContact CD2-CG 3.74Å; L19-L28 HydrophobicContact CG-CD1 4.48Å; L28-F31 HydrophobicContact CD1-CE1 4.04Å; L28-V124 HydrophobicContact CD2-CG1 4.45Å; L28-W132 HydrophobicContact CD2-CD2 3.53Å; L28-W132 HydrophobicContact CD2-CE3 4.02Å; L28-W132 HydrophobicContact CD2-CG 3.75Å; L28-W132 HydrophobicContact CD2-CH2 4.48Å; L28-W132 HydrophobicContact CD2-CZ2 4.08Å; L28-W132 HydrophobicContact CD2-CZ3 4.46Å; L28-F194 HydrophobicContact CD1-CZ 4.08Å; L28-F194 HydrophobicContact CD2-CE1 3.66Å; L28-F194 HydrophobicContact CD2-CZ 3.91Å
29	P	92	Very high	95.2	Very high	64 Å²	64	58.7 Å²	58.7	42%	0.416	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-53.8	149.7	163.7	-22.2	33.2	0	0	0	110.4	F31	P29-F31 WeakPolarHBondContact O-CD1 3.33Å; P29-F31 PolarHBondContact O-N 3.3Å
30	K	94.9	Very high	94.5	Very high	212 Å²	212	65.5 Å²	65.5	92%	0.922	37%	0.369	S	S	*	.	S	Bend	trans	-65.5	122.6	180	-173	-178	-178.9	-178.9	0	110.6
31	F	97.5	Very high	93.5	Very high	38 Å²	38	71 Å²	71	17%	0.167	39%	0.393	C	S	.	.			trans	-152.3	166.6	171.2	78.1	-71.6	0	0	0	110.1	L28 P29 Y33 F194	L28-F31 HydrophobicContact CD1-CE1 4.04Å; P29-F31 WeakPolarHBondContact O-CD1 3.33Å; P29-F31 PolarHBondContact O-N 3.3Å; F31-Y33 HydrophobicContact CE2-CD2 4.13Å; F31-Y33 HydrophobicContact CZ-CD2 4.34Å; F31-F194 AromaticContact CE1-CZ 3.9Å; F31-F194 HydrophobicContact CE1-CZ 3.9Å; F31-F194 HydrophobicContact CZ-CE2 4.02Å; F31-F194 AromaticContact CZ-CZ 3.86Å; F31-F194 HydrophobicContact CZ-CZ 3.86Å
32	T	98.1	Very high	92.5	Very high	64 Å²	64	77.4 Å²	77.4	39%	0.393	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.2	174.4	-61.5	0	0	0	0	110	T34 S187 Y188 G189	T32-T34 PolarHBondContact O-N 3.23Å; T32-S187 PolarHBondContact N-O 3.08Å; T32-Y188 HydrophobicContact CG2-CD1 3.81Å; T32-Y188 HydrophobicContact CG2-CE1 3.8Å; T32-Y188 VanDerWaalsContact O-CA 3.25Å; T32-Y188 WeakPolarHBondContact O-CA 3.29Å; T32-G189 PolarHBondContact O-N 2.92Å; T32-G189 VanDerWaalsContact O-N 3.09Å
33	Y	98.3	Very high	91.5	Very high	12 Å²	12	74.3 Å²	74.3	5%	0.047	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.6	175.6	-159.6	-78.5	0	0	0	111.1	I8 K12 E13 F31 T35 G189 N190 L191	I8-Y33 HydrophobicContact CD1-CD2 4.42Å; I8-Y33 HydrophobicContact CD1-CE2 4.17Å; I8-Y33 HydrophobicContact CG1-CD2 4.23Å; I8-Y33 HydrophobicContact CG1-CE2 4.08Å; I8-Y33 WeakPolarHBondContact O-CD2 3.48Å; K12-Y33 HydrophobicContact CB-CD1 4.44Å; K12-Y33 HydrophobicContact CD-CD1 4.31Å; K12-Y33 PolarHBondContact NZ-O 2.87Å; E13-Y33 HydrophobicContact CG-CE1 3.81Å; E13-Y33 VanDerWaalsContact CG-OH 3.3Å; E13-Y33 WeakPolarHBondContact CG-OH 3.45Å; E13-Y33 WeakPolarHBondContact OE1-CE1 3.43Å; E13-Y33 PolarHBondContact OE1-OH 3.46Å; F31-Y33 HydrophobicContact CE2-CD2 4.13Å; F31-Y33 HydrophobicContact CZ-CD2 4.34Å; Y33-T35 HydrophobicContact CE1-CG2 4.05Å; Y33-G189 CarbonylContact C-O 3.58Å; Y33-G189 VanDerWaalsContact CA-O 3.23Å; Y33-G189 WeakPolarHBondContact CA-O 3.13Å; Y33-N190 HydrophobicContact CE1-CB 3.86Å; Y33-N190 HydrophobicContact CE2-CB 4.27Å; Y33-L191 WeakPolarHBondContact OH-CD2 3.43Å; Y33-L191 PolarHBondContact OH-N 3.12Å
34	T	98	Very high	90.2	Very high	13 Å²	13	73.7 Å²	73.7	8%	0.08	40%	0.398	C	S	.	.			trans	-134.4	140.3	173.4	-177.1	0	0	0	0	110	T32 S36 L38 A150 G189 N190	T32-T34 PolarHBondContact O-N 3.23Å; T34-S36 WeakPolarHBondContact CG2-O 3.25Å; T34-S36 PolarHBondContact OG1-O 3.39Å; T34-L38 HydrophobicContact CG2-CD1 4.32Å; T34-L38 HydrophobicContact CG2-CG 4.33Å; T34-A150 HydrophobicContact CG2-CB 4.24Å; T34-A150 WeakPolarHBondContact O-CB 3.29Å; T34-G189 PolarHBondContact N-O 2.92Å; T34-N190 WeakPolarHBondContact O-CB 3.49Å; T34-N190 PolarHBondContact O-N 3.33Å
35	T	96.7	Very high	88.7	Confident	52 Å²	52	75.8 Å²	75.8	32%	0.319	40%	0.4	S	S	.	.	S	Bend	trans	-93.4	2.3	-179.2	54.7	0	0	0	0	113.3	K12 E13 Y33 H148	K12-T35 HydrophobicContact CB-CG2 3.78Å; E13-T35 HydrophobicContact CG-CG2 4.33Å; Y33-T35 HydrophobicContact CE1-CG2 4.05Å; T35-H148 PolarHBondContact O-CE1 3.19Å; T35-H148 PolarHBondContact O-NE2 3.28Å; T35-H148 VanDerWaalsContact O-NE2 3.08Å
36	S	94.3	Very high	87.3	Confident	56 Å²	56	75.5 Å²	75.5	39%	0.392	39%	0.393	S	S	.	.	S	Bend	trans	-141.3	160.3	-177.6	63.6	0	0	0	0	112	T34 L38	T34-S36 WeakPolarHBondContact CG2-O 3.25Å; T34-S36 PolarHBondContact OG1-O 3.39Å; S36-L38 PolarHBondContact O-N 3.47Å
37	V	94.3	Very high	86.2	Confident	29 Å²	29	71.8 Å²	71.8	18%	0.176	38%	0.381	C	S	.	.			trans	-69.7	121.8	167.4	-176.2	0	0	0	0	108.8	I39 G151 F153 I183	V37-I39 HydrophobicContact CG1-CG1 4.01Å; V37-I39 PolarHBondContact O-N 3.34Å; V37-G151 CarbonylContact C-O 3.51Å; V37-G151 WeakPolarHBondContact CA-O 3.31Å; V37-F153 HydrophobicContact CG1-CB 3.97Å; V37-I183 HydrophobicContact CG1-CD1 4.36Å; V37-I183 HydrophobicContact CG1-CG1 4.29Å; V37-I183 HydrophobicContact CG2-CD1 3.83Å
38	L	94.3	Very high	85.5	Confident	61 Å²	61	77.1 Å²	77.1	32%	0.319	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-86.8	105	179.5	-56.6	179.3	0	0	0	109	T34 S36 G151 K152 F153 Y188	T34-L38 HydrophobicContact CG2-CD1 4.32Å; T34-L38 HydrophobicContact CG2-CG 4.33Å; S36-L38 PolarHBondContact O-N 3.47Å; L38-G151 PolarHBondContact N-O 2.69Å; L38-K152 HydrophobicContact CB-CG 4.45Å; L38-K152 HydrophobicContact CD1-CG 4.43Å; L38-F153 PolarHBondContact O-N 2.83Å; L38-Y188 HydrophobicContact CD1-CD1 3.41Å; L38-Y188 VanDerWaalsContact CD1-CD1 3.41Å; L38-Y188 HydrophobicContact CD1-CE1 4.12Å; L38-Y188 HydrophobicContact CD1-CG 3.66Å
39	I	89.3	Confident	85	Confident	54 Å²	54	81.8 Å²	81.8	28%	0.277	40%	0.403	S	S	.	.			trans	-104.4	133.4	179.6	-51.2	163.8	0	0	0	109	V37 A43 C44 F153 F217	V37-I39 HydrophobicContact CG1-CG1 4.01Å; V37-I39 PolarHBondContact O-N 3.34Å; I39-A43 HydrophobicContact CG2-CB 3.97Å; I39-C44 WeakPolarHBondContact CG2-SG 3.14Å; I39-F153 HydrophobicContact CB-CB 4.3Å; I39-F153 HydrophobicContact CG1-CB 3.82Å; I39-F153 HydrophobicContact CG1-CG 4.27Å; I39-F153 HydrophobicContact CG2-CB 4.34Å; I39-F153 HydrophobicContact CG2-CD1 4.03Å; I39-F153 HydrophobicContact CG2-CG 4.29Å; I39-F217 HydrophobicContact CD1-CD1 3.89Å; I39-F217 HydrophobicContact CG2-CD1 4.15Å; I39-F217 HydrophobicContact CG2-CE1 3.75Å
40	R	84	Confident	84.7	Confident	153 Å²	153	80 Å²	80	58%	0.577	39%	0.388	S	S	*	.			trans	-64.5	142	172	-70.1	-179	175.9	173.7	-3.2	109.4	E42 A43 C44 E158	R40-E42 PolarHBondContact O-N 3.34Å; R40-A43 PolarHBondContact O-N 3.35Å; R40-C44 PolarHBondContact O-N 2.71Å; R40-E158 IonicContact CZ-OE1 3.8Å; R40-E158 IonicContact NH1-OE1 2.75Å; R40-E158 PolarHBondContact NH1-OE1 2.97Å
41	K	77.3	Confident	84.3	Confident	169 Å²	169	78.2 Å²	78.2	74%	0.735	38%	0.38	S	S	*	.	H	α-helix	trans	-58	-38.5	-176.4	-73.6	-176.1	176.6	-179.3	0	111.4	A43 C44 L45	K41-A43 VanDerWaalsContact C-N 3.35Å; K41-A43 PolarHBondContact O-N 2.64Å; K41-C44 PolarHBondContact O-N 3.33Å; K41-L45 VanDerWaalsContact O-CG 3.31Å; K41-L45 WeakPolarHBondContact O-CG 3.32Å; K41-L45 PolarHBondContact O-N 2.9Å; K41-L45 VanDerWaalsContact O-N 3.1Å
42	E	76.8	Confident	84	Confident	135 Å²	135	76.9 Å²	76.9	63%	0.631	38%	0.377	S	S	*	.	H	α-helix	trans	-62.4	-40.6	-177.9	-60.1	70.9	-151.8	0	0	111.8	R40 L45	R40-E42 PolarHBondContact O-N 3.34Å; E42-L45 PolarHBondContact O-N 2.83Å
43	A	73.7	Confident	83.7	Confident	6 Å²	6	74 Å²	74	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177	0	0	0	0	0	111.2	I39 R40 K41 L45 S46 F153 E155 F217	I39-A43 HydrophobicContact CG2-CB 3.97Å; R40-A43 PolarHBondContact O-N 3.35Å; K41-A43 VanDerWaalsContact C-N 3.35Å; K41-A43 PolarHBondContact O-N 2.64Å; A43-L45 PolarHBondContact O-N 2.77Å; A43-S46 PolarHBondContact O-OG 2.79Å; A43-F153 HydrophobicContact CB-CD1 4.34Å; A43-F153 HydrophobicContact CB-CE1 4.07Å; A43-E155 WeakPolarHBondContact CB-OE1 3.34Å; A43-F217 HydrophobicContact CB-CE1 4.2Å; A43-F217 HydrophobicContact CB-CZ 4.3Å; A43-F217 WeakPolarHBondContact O-CZ 3.28Å
44	C	67.6	Low	83.5	Confident	31 Å²	31	78.2 Å²	78.2	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-66.1	-36.6	179	-73	0	0	0	0	113.7	I39 R40 K41 S46 S47 F212	I39-C44 WeakPolarHBondContact CG2-SG 3.14Å; R40-C44 PolarHBondContact O-N 2.71Å; K41-C44 PolarHBondContact O-N 3.33Å; C44-S46 PolarHBondContact O-N 2.87Å; C44-S46 VanDerWaalsContact O-N 3.15Å; C44-S47 PolarHBondContact O-N 2.77Å; C44-S47 PolarHBondContact O-OG 3.43Å; C44-F212 HydrophobicContact CB-CE1 4.47Å; C44-F212 HydrophobicContact CB-CZ 4.36Å
45	L	60.6	Low	83.1	Confident	149 Å²	149	78.1 Å²	78.1	78%	0.78	39%	0.391	S	S	*	.	H	α-helix	trans	-61.6	-24.9	-174.1	-76.8	170.3	0	0	0	113.4	K41 E42 A43 S47	K41-L45 VanDerWaalsContact O-CG 3.31Å; K41-L45 WeakPolarHBondContact O-CG 3.32Å; K41-L45 PolarHBondContact O-N 2.9Å; K41-L45 VanDerWaalsContact O-N 3.1Å; E42-L45 PolarHBondContact O-N 2.83Å; A43-L45 PolarHBondContact O-N 2.77Å; L45-S47 VanDerWaalsContact C-N 3.35Å
46	S	64.2	Low	82.6	Confident	85 Å²	85	82.8 Å²	82.8	59%	0.594	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18	177.1	71.3	0	0	0	0	113.8	A43 C44	A43-S46 PolarHBondContact O-OG 2.79Å; C44-S46 PolarHBondContact O-N 2.87Å; C44-S46 VanDerWaalsContact O-N 3.15Å
47	S	70.5	Confident	81.9	Confident	12 Å²	12	83.8 Å²	83.8	8%	0.084	42%	0.418	C	S	.	.	S	Bend	trans	-89.2	141.2	-170.2	72.5	0	0	0	0	112.4	C44 L45 F212	C44-S47 PolarHBondContact O-N 2.77Å; C44-S47 PolarHBondContact O-OG 3.43Å; L45-S47 VanDerWaalsContact C-N 3.35Å; S47-F212 WeakPolarHBondContact OG-CD1 3.44Å; S47-F212 WeakPolarHBondContact OG-CE1 3.45Å
48	R	78.8	Confident	81.1	Confident	189 Å²	189	85.1 Å²	85.1	71%	0.713	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-79.9	140.8	172.1	-68.1	-178.4	-178.7	-176	1.2	109.9	E213	R48-E213 HydrophobicContact CB-CB 4.2Å; R48-E213 HydrophobicContact CB-CG 4.17Å; R48-E213 WeakPolarHBondContact CB-OE2 3.1Å; R48-E213 WeakPolarHBondContact CD-OE2 3.18Å; R48-E213 PolarHBondContact O-N 2.87Å
49	F	83.1	Confident	80.8	Confident	133 Å²	133	82.2 Å²	82.2	58%	0.583	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-84.1	140.4	169.7	-66.3	-78.9	0	0	0	110.1	G211 F212	F49-G211 CarbonylContact C-O 3.48Å; F49-G211 WeakPolarHBondContact CA-O 3.29Å; F49-F212 HydrophobicContact CD1-CD1 4.11Å; F49-F212 HydrophobicContact CD1-CE1 4.05Å; F49-F212 AromaticContact CE1-CD1 3.95Å; F49-F212 HydrophobicContact CE1-CD1 3.95Å; F49-F212 AromaticContact CE1-CE1 3.41Å; F49-F212 HydrophobicContact CE1-CE1 3.41Å; F49-F212 VanDerWaalsContact CE1-CE1 3.41Å; F49-F212 HydrophobicContact CE1-CZ 4.05Å; F49-F212 AromaticContact CZ-CE1 3.89Å; F49-F212 HydrophobicContact CZ-CE1 3.89Å
50	R	86.5	Confident	80.1	Confident	27 Å²	27	80.2 Å²	80.2	10%	0.102	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-64.3	148.1	174.1	-70.3	177.9	65.8	-150.7	5	110.6	G52 S97 E98 H100 S210 G211 F212 E213	R50-G52 PolarHBondContact O-N 3.47Å; R50-S97 PolarHBondContact NH1-OG 3.24Å; R50-S97 PolarHBondContact NH2-OG 2.84Å; R50-E98 PolarHBondContact NH1-O 2.98Å; R50-H100 PolarHBondContact O-CE1 3.22Å; R50-H100 PolarHBondContact O-NE2 3.4Å; R50-S210 PolarHBondContact NH1-O 3.35Å; R50-G211 PolarHBondContact N-O 3.33Å; R50-F212 VanDerWaalsContact CD-O 3.22Å; R50-F212 WeakPolarHBondContact CD-O 3.15Å; R50-F212 WeakPolarHBondContact CG-O 3.45Å; R50-E213 HydrophobicContact CB-CG 4.35Å; R50-E213 HydrophobicContact CG-CB 4.3Å; R50-E213 HydrophobicContact CG-CG 3.59Å
51	K	87.5	Confident	79.7	Confident	174 Å²	174	80.6 Å²	80.6	76%	0.757	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-69.1	120.2	166.5	-173.7	177.9	178	-177.9	0	109.3
52	G	90.8	Very high	79.9	Confident	10 Å²	10	74.1 Å²	74.1	10%	0.103	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-69.8	153.7	173.8	0	0	0	0	0	112.3	R50 C103	R50-G52 PolarHBondContact O-N 3.47Å; G52-C103 WeakPolarHBondContact CA-SG 3.38Å
53	C	91.7	Very high	80	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.02	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-71.6	156.5	174.5	71.5	0	0	0	0	112	C65 C66 C103 T104	C53-C65 VanDerWaalsContact CB-SG 3.59Å; C53-C66 VanDerWaalsContact CA-SG 3.52Å; C53-C103 PolarHBondContact N-SG 2.87Å; C53-C103 WeakPolarHBondContact O-CA 3.45Å; C53-T104 PolarHBondContact O-N 3.01Å; C53-T104 PolarHBondContact O-OG1 2.89Å
54	S	93	Very high	80.5	Confident	102 Å²	102	78.3 Å²	78.3	71%	0.713	41%	0.412	S	S	*	.			trans	-105.9	25.2	174.3	-54.8	0	0	0	0	112.4	T104	S54-T104 WeakPolarHBondContact CA-OG1 3.4Å
55	C	90.3	Very high	81.5	Confident	10 Å²	10	76.8 Å²	76.8	7%	0.068	40%	0.402	C	S	.	.			trans	-71	139.6	-176.2	-60.9	0	0	0	0	111.5	C59 T104 C105	C55-C59 VanDerWaalsContact CB-SG 3.59Å; C55-T104 PolarHBondContact N-OG1 2.75Å; C55-T104 PolarHBondContact O-OG1 3.34Å; C55-C105 HydrophobicContact CB-CB 4.45Å; C55-C105 WeakPolarHBondContact O-CA 3.45Å; C55-C105 PolarHBondContact O-N 3.48Å
56	D	85.6	Confident	82.7	Confident	151 Å²	151	72.4 Å²	72.4	81%	0.807	38%	0.383	S	S	*	.	S	Bend	trans	-99.3	-24.3	169.6	58.7	-12.8	0	0	0	112.2
57	T	79.9	Confident	83.8	Confident	77 Å²	77	68.4 Å²	68.4	47%	0.472	36%	0.355	S	S	.	.	S	Bend	trans	-93.1	174.7	173.7	66.5	0	0	0	0	113	C59 N62	T57-C59 PolarHBondContact O-N 2.86Å; T57-N62 PolarHBondContact OG1-ND2 3.12Å
58	D	78.7	Confident	83.9	Confident	56 Å²	56	70.1 Å²	70.1	30%	0.299	36%	0.361	S	S	.	.			trans	-62.7	117.7	173.8	-168.2	-18.5	0	0	0	111.2	L60 F61 N62 A110	D58-L60 PolarHBondContact O-N 3.41Å; D58-L60 PolarHBondContact OD1-N 2.66Å; D58-L60 VanDerWaalsContact OD1-N 3.12Å; D58-F61 HydrophobicContact CB-CD2 4.03Å; D58-F61 PolarHBondContact O-N 3.29Å; D58-N62 PolarHBondContact O-N 2.73Å; D58-A110 VanDerWaalsContact OD1-CB 3.32Å; D58-A110 WeakPolarHBondContact OD1-CB 2.92Å; D58-A110 PolarHBondContact OD1-N 3.44Å; D58-A110 WeakPolarHBondContact OD2-CB 3.41Å
59	C	87	Confident	83	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.9	-176.3	-63.7	0	0	0	0	113.9	C55 T57 F61 C65 C105 C109 N111	C55-C59 VanDerWaalsContact CB-SG 3.59Å; T57-C59 PolarHBondContact O-N 2.86Å; C59-F61 VanDerWaalsContact C-N 3.3Å; C59-F61 PolarHBondContact O-N 3.42Å; C59-C65 HydrophobicContact CB-CB 4.08Å; C59-C65 VanDerWaalsContact CB-SG 3.51Å; C59-C105 WeakPolarHBondContact SG-CB 3.29Å; C59-C109 VanDerWaalsContact CB-SG 3.54Å; C59-C109 VanDerWaalsContact SG-SG 3.65Å; C59-N111 HydrophobicContact CB-CB 4.1Å
60	L	74.9	Confident	81.7	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-37.9	179	-172.2	66.4	0	0	0	111.7	D58 K68 L76 C77 N78 A110	D58-L60 PolarHBondContact O-N 3.41Å; D58-L60 PolarHBondContact OD1-N 2.66Å; D58-L60 VanDerWaalsContact OD1-N 3.12Å; L60-K68 PolarHBondContact O-NZ 2.8Å; L60-K68 VanDerWaalsContact O-NZ 3.08Å; L60-L76 HydrophobicContact CD1-CB 3.94Å; L60-L76 HydrophobicContact CD1-CD1 4.35Å; L60-L76 HydrophobicContact CD1-CD2 4.2Å; L60-L76 HydrophobicContact CD1-CG 4.4Å; L60-C77 WeakPolarHBondContact CD1-O 3.45Å; L60-N78 HydrophobicContact CD2-CB 3.64Å; L60-A110 HydrophobicContact CB-CB 3.9Å; L60-A110 HydrophobicContact CD2-CB 3.86Å; L60-A110 HydrophobicContact CG-CB 4.49Å
61	F	75	Confident	80	Confident	160 Å²	160	62.4 Å²	62.4	70%	0.702	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.2	-178.2	-52.4	-68	0	0	0	113	D58 C59	D58-F61 HydrophobicContact CB-CD2 4.03Å; D58-F61 PolarHBondContact O-N 3.29Å; C59-F61 VanDerWaalsContact C-N 3.3Å; C59-F61 PolarHBondContact O-N 3.42Å
62	N	81.7	Confident	78.1	Confident	34 Å²	34	58.8 Å²	58.8	18%	0.182	33%	0.333	C	S	.	.			trans	-96.8	99.3	176.7	-171.9	-17.3	0	0	0	110	T57 D58 S64 C65	T57-N62 PolarHBondContact OG1-ND2 3.12Å; D58-N62 PolarHBondContact O-N 2.73Å; N62-S64 PolarHBondContact O-N 3.14Å; N62-S64 VanDerWaalsContact O-N 3.1Å; N62-S64 WeakPolarHBondContact OD1-CA 3.35Å; N62-S64 VanDerWaalsContact OD1-CB 3.29Å; N62-S64 WeakPolarHBondContact OD1-CB 3.43Å; N62-S64 PolarHBondContact OD1-N 2.91Å; N62-C65 HydrophobicContact CB-CB 4.41Å; N62-C65 WeakPolarHBondContact O-CB 3.42Å; N62-C65 PolarHBondContact O-N 3.44Å
63	D	79.3	Confident	76.1	Confident	119 Å²	119	61.8 Å²	61.8	64%	0.636	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.3	178.7	-65.7	-30.3	0	0	0	113.6	C65 K68	D63-C65 VanDerWaalsContact C-N 3.33Å; D63-K68 IonicContact OD1-NZ 3.41Å; D63-K68 PolarHBondContact OD1-NZ 3.38Å
64	S	84.8	Confident	74.2	Confident	109 Å²	109	65.8 Å²	65.8	76%	0.762	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.6	173.5	-54.8	0	0	0	0	113.2	N62 C66	N62-S64 PolarHBondContact O-N 3.14Å; N62-S64 VanDerWaalsContact O-N 3.1Å; N62-S64 WeakPolarHBondContact OD1-CA 3.35Å; N62-S64 VanDerWaalsContact OD1-CB 3.29Å; N62-S64 WeakPolarHBondContact OD1-CB 3.43Å; N62-S64 PolarHBondContact OD1-N 2.91Å; S64-C66 PolarHBondContact O-N 2.81Å
65	C	87.6	Confident	72.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.342	C	S	.	.			trans	-68.9	116.8	179.5	-174.4	0	0	0	0	110.9	C53 C59 N62 D63 C67 K68	C53-C65 VanDerWaalsContact CB-SG 3.59Å; C59-C65 HydrophobicContact CB-CB 4.08Å; C59-C65 VanDerWaalsContact CB-SG 3.51Å; N62-C65 HydrophobicContact CB-CB 4.41Å; N62-C65 WeakPolarHBondContact O-CB 3.42Å; N62-C65 PolarHBondContact O-N 3.44Å; D63-C65 VanDerWaalsContact C-N 3.33Å; C65-C67 PolarHBondContact O-N 3.44Å; C65-C67 PolarHBondContact SG-N 3.26Å; C65-K68 HydrophobicContact CB-CB 4.37Å; C65-K68 WeakPolarHBondContact O-CB 3.48Å; C65-K68 PolarHBondContact O-N 2.84Å
66	C	86.2	Confident	70.9	Confident	57 Å²	57	62.7 Å²	62.7	39%	0.385	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.3	178.1	66.1	0	0	0	0	113.9	C53 S64	C53-C66 VanDerWaalsContact CA-SG 3.52Å; S64-C66 PolarHBondContact O-N 2.81Å
67	C	86	Confident	69.6	Low	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.6	175.1	-56.8	0	0	0	0	112.8	C65 S97 C99	C65-C67 PolarHBondContact O-N 3.44Å; C65-C67 PolarHBondContact SG-N 3.26Å; C67-S97 VanDerWaalsContact O-CB 3.28Å; C67-S97 WeakPolarHBondContact O-CB 3.33Å; C67-S97 VanDerWaalsContact O-O 3.05Å; C67-S97 PolarHBondContact O-OG 2.78Å; C67-C99 VanDerWaalsContact CB-SG 3.56Å; C67-C99 VanDerWaalsContact SG-SG 3.65Å
68	K	73.6	Confident	68.6	Low	48 Å²	48	54.7 Å²	54.7	21%	0.209	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.1	-178.3	-171.7	176.3	175.8	177.3	0	112.8	L60 D63 C65 V70 L76	L60-K68 PolarHBondContact O-NZ 2.8Å; L60-K68 VanDerWaalsContact O-NZ 3.08Å; D63-K68 IonicContact OD1-NZ 3.41Å; D63-K68 PolarHBondContact OD1-NZ 3.38Å; C65-K68 HydrophobicContact CB-CB 4.37Å; C65-K68 WeakPolarHBondContact O-CB 3.48Å; C65-K68 PolarHBondContact O-N 2.84Å; K68-V70 PolarHBondContact O-N 2.93Å; K68-L76 HydrophobicContact CG-CD2 4.21Å
69	N	59.2	Low	67.7	Low	124 Å²	124	59.6 Å²	59.6	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	27	-167.7	-79.5	-13.3	0	0	0	116.2
70	V	55.3	Low	66.3	Low	38 Å²	38	62 Å²	62	23%	0.23	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.2	9.9	-173.3	-127.6	0	0	0	0	117.5	K68 Y95 S97	K68-V70 PolarHBondContact O-N 2.93Å; V70-Y95 HydrophobicContact CB-CE2 3.69Å; V70-Y95 HydrophobicContact CG1-CE1 4.45Å; V70-Y95 HydrophobicContact CG1-CE2 3.51Å; V70-Y95 WeakPolarHBondContact CG1-OH 3.3Å; V70-Y95 WeakPolarHBondContact O-CE2 3.35Å; V70-S97 WeakPolarHBondContact CG2-OG 3.28Å
71	S	51.1	Low	65.8	Low	25 Å²	25	61.4 Å²	61.4	18%	0.175	34%	0.344	C	S	.	.			trans	-92.6	107.5	165.6	60.9	0	0	0	0	110.3	D73 Y95	S71-D73 PolarHBondContact O-N 3.49Å; S71-Y95 VanDerWaalsContact CA-O 3.23Å; S71-Y95 WeakPolarHBondContact CA-O 3.49Å; S71-Y95 WeakPolarHBondContact CB-O 3.49Å
72	I	48.8	Very low	65.4	Low	98 Å²	98	54 Å²	54	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.8	-174.9	-72	-177.8	0	0	0	113.7	S93 E174	I72-S93 WeakPolarHBondContact CD1-O 3.37Å; I72-E174 WeakPolarHBondContact CD1-OE2 3.39Å
73	D	48.2	Very low	64.5	Low	73 Å²	73	54.6 Å²	54.6	39%	0.39	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	30.7	-173.9	-62.5	-54.8	0	0	0	115.2	S71 I75 T94	S71-D73 PolarHBondContact O-N 3.49Å; D73-I75 HydrophobicContact CB-CD1 4.49Å; D73-I75 HydrophobicContact CB-CG1 4.22Å; D73-I75 PolarHBondContact O-N 3.02Å; D73-T94 HydrophobicContact CB-CG2 3.97Å; D73-T94 WeakPolarHBondContact OD2-CB 3.26Å; D73-T94 WeakPolarHBondContact OD2-CG2 3.36Å; D73-T94 PolarHBondContact OD2-OG1 2.86Å
74	S	51.4	Low	63.6	Low	88 Å²	88	54.6 Å²	54.6	62%	0.615	31%	0.313	S	S	*	.			trans	56.5	15.7	179.7	-50.3	0	0	0	0	115	L76 T83	S74-L76 VanDerWaalsContact C-N 3.33Å; S74-L76 PolarHBondContact O-N 3.27Å; S74-T83 PolarHBondContact O-OG1 2.79Å
75	I	55.6	Low	62.3	Low	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.292	C	S	.	.			trans	-72.7	92.2	174	-56.2	-176.7	0	0	0	107.5	D73 V82 T94 I96 I206	D73-I75 HydrophobicContact CB-CD1 4.49Å; D73-I75 HydrophobicContact CB-CG1 4.22Å; D73-I75 PolarHBondContact O-N 3.02Å; I75-V82 HydrophobicContact CG2-CB 3.72Å; I75-V82 HydrophobicContact CG2-CG1 3.56Å; I75-T94 HydrophobicContact CD1-CG2 4Å; I75-I96 HydrophobicContact CG2-CD1 3.81Å; I75-I96 HydrophobicContact CG2-CG1 4.26Å; I75-I206 HydrophobicContact CD1-CD1 3.99Å; I75-I206 HydrophobicContact CG2-CD1 4.49Å
76	L	58	Low	60.7	Low	43 Å²	43	52.4 Å²	52.4	23%	0.225	30%	0.298	C	S	.	.			trans	-89.8	126.7	175.8	-66.3	176.2	0	0	0	108.9	L60 K68 S74 V82 T83	L60-L76 HydrophobicContact CD1-CB 3.94Å; L60-L76 HydrophobicContact CD1-CD1 4.35Å; L60-L76 HydrophobicContact CD1-CD2 4.2Å; L60-L76 HydrophobicContact CD1-CG 4.4Å; K68-L76 HydrophobicContact CG-CD2 4.21Å; S74-L76 VanDerWaalsContact C-N 3.33Å; S74-L76 PolarHBondContact O-N 3.27Å; L76-V82 CarbonylContact O-C 3.5Å; L76-V82 WeakPolarHBondContact O-CA 3.36Å; L76-T83 HydrophobicContact CB-CG2 3.78Å; L76-T83 PolarHBondContact N-OG1 3.35Å; L76-T83 PolarHBondContact O-N 3.13Å
77	C	58.3	Low	58.9	Low	1 Å²	1	55.2 Å²	55.2	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.6	166.7	-97.3	0	0	0	0	108.8	L60 G81 I96 V113 F223	L60-C77 WeakPolarHBondContact CD1-O 3.45Å; C77-G81 CarbonylContact C-O 3.58Å; C77-G81 WeakPolarHBondContact CA-O 3.47Å; C77-I96 HydrophobicContact CB-CG2 4.15Å; C77-I96 WeakPolarHBondContact SG-CD1 3.48Å; C77-V113 VanDerWaalsContact C-CG2 3.48Å; C77-V113 HydrophobicContact CB-CB 3.83Å; C77-V113 HydrophobicContact CB-CG2 3.51Å; C77-F223 VanDerWaalsContact SG-CZ 3.54Å
78	N	60.3	Low	57.2	Low	58 Å²	58	58.7 Å²	58.7	31%	0.31	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	170.3	168	71.7	45.3	0	0	0	110.5	L60 G80 G81 V113	L60-N78 HydrophobicContact CD2-CB 3.64Å; N78-G80 PolarHBondContact O-N 3.46Å; N78-G80 WeakPolarHBondContact OD1-CA 3.22Å; N78-G80 PolarHBondContact OD1-N 3.18Å; N78-G81 PolarHBondContact N-O 3.21Å; N78-G81 PolarHBondContact O-N 2.95Å; N78-G81 VanDerWaalsContact O-O 3.12Å; N78-G81 PolarHBondContact OD1-N 3.33Å; N78-V113 WeakPolarHBondContact O-CG2 3.37Å
79	K	59.2	Low	56.1	Low	159 Å²	159	60.4 Å²	60.4	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-15.8	-177.2	-72.7	-174	177.9	177.2	0	115	N108 A110	K79-N108 WeakPolarHBondContact CE-O 3.31Å; K79-N108 PolarHBondContact NZ-O 3.4Å; K79-A110 HydrophobicContact CG-CB 4.49Å
80	G	58.2	Low	55.5	Low	50 Å²	50	56.9 Å²	56.9	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.1	174.9	0	0	0	0	0	115.2	N78	N78-G80 PolarHBondContact O-N 3.46Å; N78-G80 WeakPolarHBondContact OD1-CA 3.22Å; N78-G80 PolarHBondContact OD1-N 3.18Å
81	G	63.9	Low	55.6	Low	1 Å²	1	57.2 Å²	57.2	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.2	-155.4	-174.3	0	0	0	0	0	115.4	C77 N78 K143	C77-G81 CarbonylContact C-O 3.58Å; C77-G81 WeakPolarHBondContact CA-O 3.47Å; N78-G81 PolarHBondContact N-O 3.21Å; N78-G81 PolarHBondContact O-N 2.95Å; N78-G81 VanDerWaalsContact O-O 3.12Å; N78-G81 PolarHBondContact OD1-N 3.33Å; G81-K143 CarbonylContact C-O 3.6Å; G81-K143 WeakPolarHBondContact CA-O 3.4Å
82	V	66.7	Low	55.6	Low	4 Å²	4	59.3 Å²	59.3	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	157	172.5	-69.1	0	0	0	0	112.5	I75 L76 E84 I96 K143 F204 F223	I75-V82 HydrophobicContact CG2-CB 3.72Å; I75-V82 HydrophobicContact CG2-CG1 3.56Å; L76-V82 CarbonylContact O-C 3.5Å; L76-V82 WeakPolarHBondContact O-CA 3.36Å; V82-E84 WeakPolarHBondContact CG2-O 3.47Å; V82-I96 HydrophobicContact CG1-CD1 3.92Å; V82-K143 HydrophobicContact CG2-CB 3.73Å; V82-K143 HydrophobicContact CG2-CG 4.13Å; V82-K143 PolarHBondContact N-O 3.21Å; V82-K143 WeakPolarHBondContact O-CB 3.48Å; V82-K143 VanDerWaalsContact O-CD 3.29Å; V82-K143 WeakPolarHBondContact O-CD 3.18Å; V82-F204 HydrophobicContact CG1-CZ 4.46Å; V82-F204 HydrophobicContact CG2-CE1 4.33Å; V82-F204 HydrophobicContact CG2-CZ 3.82Å; V82-F223 HydrophobicContact CG1-CD1 3.68Å; V82-F223 HydrophobicContact CG1-CD2 4.44Å; V82-F223 HydrophobicContact CG1-CE1 3.59Å; V82-F223 HydrophobicContact CG1-CE2 4.37Å; V82-F223 HydrophobicContact CG1-CG 4.11Å; V82-F223 HydrophobicContact CG1-CZ 3.95Å; V82-F223 HydrophobicContact CG2-CD1 4.38Å
83	T	62.7	Low	56.1	Low	48 Å²	48	56.7 Å²	56.7	29%	0.294	33%	0.333	S	S	.	.	S	Bend	trans	-74.5	-37.2	173.2	44.5	0	0	0	0	113	S74 L76 K143	S74-T83 PolarHBondContact O-OG1 2.79Å; L76-T83 HydrophobicContact CB-CG2 3.78Å; L76-T83 PolarHBondContact N-OG1 3.35Å; L76-T83 PolarHBondContact O-N 3.13Å; T83-K143 PolarHBondContact O-NZ 2.97Å
84	E	61.4	Low	57.1	Low	118 Å²	118	53.7 Å²	53.7	55%	0.551	32%	0.318	S	S	*	.	S	Bend	trans	-134.5	143.9	-179.6	-64.5	-167.3	170.6	0	0	111.3	V82	V82-E84 WeakPolarHBondContact CG2-O 3.47Å
85	S	56	Low	58.5	Low	44 Å²	44	50.4 Å²	50.4	31%	0.308	29%	0.292	S	S	.	.			trans	-77.5	128.8	171.4	-56.4	0	0	0	0	107.6	S87 R225	S85-S87 PolarHBondContact O-N 3.28Å; S85-R225 PolarHBondContact OG-O 3.23Å
86	S	54	Low	59.8	Low	19 Å²	19	50.4 Å²	50.4	13%	0.133	29%	0.292	C	S	.	.			trans	-59.2	117.5	176.5	69.7	0	0	0	0	109.3	D88 F204	S86-D88 PolarHBondContact O-N 3.28Å; S86-D88 PolarHBondContact OG-O 3.46Å; S86-F204 WeakPolarHBondContact OG-CD2 3.42Å
87	S	49.3	Very low	61.2	Low	117 Å²	117	48.5 Å²	48.5	82%	0.818	28%	0.282	S	S	*	.			trans	-69.9	-23	171.8	52.9	0	0	0	0	111.2	S85	S85-S87 PolarHBondContact O-N 3.28Å
88	D	50.1	Low	62.7	Low	72 Å²	72	48.5 Å²	48.5	39%	0.385	28%	0.282	S	S	.	.			trans	-82	127.8	178.2	-156.3	-11	0	0	0	111.2	S86 S90	S86-D88 PolarHBondContact O-N 3.28Å; S86-D88 PolarHBondContact OG-O 3.46Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.2Å
89	H	50.1	Low	64.1	Low	84 Å²	84	45.7 Å²	45.7	39%	0.389	27%	0.267	S	S	.	.	S	Bend	trans	-81.1	-15.5	171	-73.4	-105.9	0	0	0	111.3	R225 D237	H89-R225 PolarHBondContact CE1-NH1 3.45Å; H89-D237 IonicContact CE1-OD2 3.95Å; H89-D237 IonicContact CG-OD2 3.08Å; H89-D237 IonicContact ND1-OD2 2.6Å; H89-D237 PolarHBondContact ND1-OD2 3.18Å
90	S	48.1	Very low	65.7	Low	51 Å²	51	38.2 Å²	38.2	36%	0.357	24%	0.235	S	C	.	.			trans	-85.8	109	176.6	-163.1	0	0	0	0	109.5	D88 T92	D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.2Å; S90-T92 PolarHBondContact O-N 3.22Å; S90-T92 WeakPolarHBondContact OG-CB 3.36Å; S90-T92 WeakPolarHBondContact OG-CG2 3.47Å; S90-T92 PolarHBondContact OG-OG1 2.83Å
91	L	56.2	Low	67.2	Low	45 Å²	45	43 Å²	43	24%	0.236	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	12.2	173	-87.5	166.7	0	0	0	114.4	F169 A205 R207	L91-F169 HydrophobicContact CD1-CE1 3.68Å; L91-F169 HydrophobicContact CD1-CZ 3.81Å; L91-A205 HydrophobicContact CD1-CB 4.31Å; L91-A205 WeakPolarHBondContact CD2-O 3.39Å; L91-R207 PolarHBondContact O-NE 3.14Å; L91-R207 VanDerWaalsContact O-NE 3.11Å
92	T	52.3	Low	68.4	Low	68 Å²	68	46.4 Å²	46.4	42%	0.417	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-23.1	-158.2	51.8	0	0	0	0	114.4	S90 E174	S90-T92 PolarHBondContact O-N 3.22Å; S90-T92 WeakPolarHBondContact OG-CB 3.36Å; S90-T92 WeakPolarHBondContact OG-CG2 3.47Å; S90-T92 PolarHBondContact OG-OG1 2.83Å; T92-E174 WeakPolarHBondContact O-CG 3.3Å
93	S	58.5	Low	69.6	Low	43 Å²	43	46.8 Å²	46.8	30%	0.301	27%	0.27	S	S	.	.	S	Bend	trans	-125.8	-4.8	-174.7	55.8	0	0	0	0	115.4	I72 E174	I72-S93 WeakPolarHBondContact CD1-O 3.37Å; S93-E174 WeakPolarHBondContact CA-OE1 3.36Å
94	T	70	Confident	71.1	Confident	10 Å²	10	49 Å²	49	6%	0.061	28%	0.284	C	S	.	.			trans	-124.7	123.9	-173.7	-36.8	0	0	0	0	110.2	D73 I75 E174 I206	D73-T94 HydrophobicContact CB-CG2 3.97Å; D73-T94 WeakPolarHBondContact OD2-CB 3.26Å; D73-T94 WeakPolarHBondContact OD2-CG2 3.36Å; D73-T94 PolarHBondContact OD2-OG1 2.86Å; I75-T94 HydrophobicContact CD1-CG2 4Å; T94-E174 PolarHBondContact N-OE1 2.95Å; T94-I206 HydrophobicContact CG2-CD1 4.28Å
95	Y	79.7	Confident	72.5	Confident	20 Å²	20	43.8 Å²	43.8	8%	0.078	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.6	168.9	61.4	-82.8	0	0	0	110.2	V70 S71 R207 L209 Q215	V70-Y95 HydrophobicContact CB-CE2 3.69Å; V70-Y95 HydrophobicContact CG1-CE1 4.45Å; V70-Y95 HydrophobicContact CG1-CE2 3.51Å; V70-Y95 WeakPolarHBondContact CG1-OH 3.3Å; V70-Y95 WeakPolarHBondContact O-CE2 3.35Å; S71-Y95 VanDerWaalsContact CA-O 3.23Å; S71-Y95 WeakPolarHBondContact CA-O 3.49Å; S71-Y95 WeakPolarHBondContact CB-O 3.49Å; Y95-R207 CarbonylContact C-O 3.16Å; Y95-R207 VanDerWaalsContact CA-O 3.22Å; Y95-R207 WeakPolarHBondContact CA-O 3.02Å; Y95-R207 WeakPolarHBondContact CB-O 3.4Å; Y95-L209 HydrophobicContact CD2-CB 4.16Å; Y95-L209 HydrophobicContact CE2-CD2 4.13Å; Y95-Q215 PolarHBondContact OH-NE2 2.77Å
96	I	83.2	Confident	74.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.2	172.2	-58.4	179.7	0	0	0	108.1	I75 C77 V82 E98 I206 R207 V208 L209 F223	I75-I96 HydrophobicContact CG2-CD1 3.81Å; I75-I96 HydrophobicContact CG2-CG1 4.26Å; C77-I96 HydrophobicContact CB-CG2 4.15Å; C77-I96 WeakPolarHBondContact SG-CD1 3.48Å; V82-I96 HydrophobicContact CG1-CD1 3.92Å; I96-E98 HydrophobicContact CG2-CG 4.4Å; I96-I206 HydrophobicContact CD1-CD1 4Å; I96-I206 HydrophobicContact CD1-CG2 4.04Å; I96-I206 HydrophobicContact CG1-CD1 3.8Å; I96-I206 HydrophobicContact CG1-CG1 4.31Å; I96-R207 PolarHBondContact N-O 3Å; I96-V208 HydrophobicContact CB-CG1 4.31Å; I96-V208 HydrophobicContact CB-CG2 4.16Å; I96-V208 HydrophobicContact CG2-CG1 4.47Å; I96-V208 CarbonylContact O-C 3.58Å; I96-V208 WeakPolarHBondContact O-CA 3.28Å; I96-L209 PolarHBondContact O-N 2.95Å; I96-F223 HydrophobicContact CD1-CE2 4.49Å; I96-F223 HydrophobicContact CD1-CZ 4.44Å
97	S	86.5	Confident	75.7	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.028	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.3	179.8	-157.6	0	0	0	0	110.7	R50 C67 V70 N111 L209	R50-S97 PolarHBondContact NH1-OG 3.24Å; R50-S97 PolarHBondContact NH2-OG 2.84Å; C67-S97 VanDerWaalsContact O-CB 3.28Å; C67-S97 WeakPolarHBondContact O-CB 3.33Å; C67-S97 VanDerWaalsContact O-O 3.05Å; C67-S97 PolarHBondContact O-OG 2.78Å; V70-S97 WeakPolarHBondContact CG2-OG 3.28Å; S97-N111 PolarHBondContact O-ND2 2.75Å; S97-N111 PolarHBondContact O-OD1 3.16Å; S97-L209 WeakPolarHBondContact CA-O 3.45Å
98	E	89.6	Confident	77.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.			trans	-95.1	155.7	-178.5	-73	-172.7	170.5	0	0	112	R50 I96 N111 V113 T114 Q115 V208 L209 R219	R50-E98 PolarHBondContact NH1-O 2.98Å; I96-E98 HydrophobicContact CG2-CG 4.4Å; E98-N111 CarbonylContact C-O 3.38Å; E98-N111 WeakPolarHBondContact CA-O 3.34Å; E98-N111 VanDerWaalsContact CB-O 3.28Å; E98-N111 WeakPolarHBondContact CB-O 3.11Å; E98-V113 PolarHBondContact OE1-N 3.41Å; E98-T114 WeakPolarHBondContact OE1-CB 3.45Å; E98-T114 WeakPolarHBondContact OE1-CG2 3.18Å; E98-T114 PolarHBondContact OE1-N 3.01Å; E98-T114 PolarHBondContact OE1-OG1 2.95Å; E98-T114 PolarHBondContact OE2-OG1 3.32Å; E98-Q115 WeakPolarHBondContact OE2-CG 3.39Å; E98-Q115 PolarHBondContact OE2-NE2 3.42Å; E98-V208 HydrophobicContact CB-CG1 4.46Å; E98-V208 HydrophobicContact CG-CG1 3.78Å; E98-L209 PolarHBondContact N-O 3.05Å; E98-R219 IonicContact OE2-NH2 3.82Å; E98-R219 PolarHBondContact OE2-NH2 2.81Å; E98-R219 VanDerWaalsContact OE2-NH2 3.08Å
99	C	90.9	Very high	79.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.			trans	-64.9	148.5	162.8	-69.2	0	0	0	0	109.5	C67 C103 N111 K112 Q115	C67-C99 VanDerWaalsContact CB-SG 3.56Å; C67-C99 VanDerWaalsContact SG-SG 3.65Å; C99-C103 HydrophobicContact CB-CB 4.22Å; C99-N111 PolarHBondContact N-ND2 3.05Å; C99-N111 PolarHBondContact N-O 3.03Å; C99-K112 HydrophobicContact CB-CD 4.44Å; C99-K112 HydrophobicContact CB-CG 3.96Å; C99-K112 WeakPolarHBondContact O-CE 3.49Å; C99-K112 WeakPolarHBondContact O-CG 3.47Å; C99-Q115 PolarHBondContact O-NE2 3.42Å
100	H	91.7	Very high	80.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.265	C	S	.	.			trans	-129.9	-167.6	-176.5	59.6	98.4	0	0	0	110.9	R50 S102 C103 K112 S210	R50-H100 PolarHBondContact O-CE1 3.22Å; R50-H100 PolarHBondContact O-NE2 3.4Å; H100-S102 VanDerWaalsContact C-N 3.27Å; H100-S102 WeakPolarHBondContact CE1-CB 3.43Å; H100-S102 PolarHBondContact CE1-OG 3.34Å; H100-S102 PolarHBondContact ND1-N 3.46Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.14Å; H100-C103 PolarHBondContact N-SG 2.88Å; H100-C103 WeakPolarHBondContact O-CB 3.25Å; H100-C103 PolarHBondContact O-N 3.43Å; H100-K112 PolarHBondContact O-NZ 3.08Å; H100-S210 PolarHBondContact CD2-O 2.88Å
101	E	89.6	Confident	82.6	Confident	150 Å²	150	46.7 Å²	46.7	70%	0.701	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.5	-173.8	-64.3	74.9	-163.7	0	0	113.2	C103	E101-C103 VanDerWaalsContact C-N 3.27Å; E101-C103 PolarHBondContact O-N 2.81Å
102	S	90.5	Very high	84.1	Confident	73 Å²	73	45.9 Å²	45.9	51%	0.51	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.5	178.3	-35	0	0	0	0	113.4	H100	H100-S102 VanDerWaalsContact C-N 3.27Å; H100-S102 WeakPolarHBondContact CE1-CB 3.43Å; H100-S102 PolarHBondContact CE1-OG 3.34Å; H100-S102 PolarHBondContact ND1-N 3.46Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.14Å
103	C	92	Very high	85.8	Confident	12 Å²	12	43.2 Å²	43.2	8%	0.081	23%	0.228	C	C	.	.			trans	-82.8	144.1	175.4	-62.6	0	0	0	0	111	G52 C53 C99 H100 E101 C105	G52-C103 WeakPolarHBondContact CA-SG 3.38Å; C53-C103 PolarHBondContact N-SG 2.87Å; C53-C103 WeakPolarHBondContact O-CA 3.45Å; C99-C103 HydrophobicContact CB-CB 4.22Å; H100-C103 PolarHBondContact N-SG 2.88Å; H100-C103 WeakPolarHBondContact O-CB 3.25Å; H100-C103 PolarHBondContact O-N 3.43Å; E101-C103 VanDerWaalsContact C-N 3.27Å; E101-C103 PolarHBondContact O-N 2.81Å; C103-C105 VanDerWaalsContact C-N 3.34Å
104	T	93.2	Very high	87.4	Confident	95 Å²	95	41.2 Å²	41.2	58%	0.583	21%	0.214	S	C	*	.			trans	-82.7	-12.1	175.5	64.3	0	0	0	0	113.6	C53 S54 C55	C53-T104 PolarHBondContact O-N 3.01Å; C53-T104 PolarHBondContact O-OG1 2.89Å; S54-T104 WeakPolarHBondContact CA-OG1 3.4Å; C55-T104 PolarHBondContact N-OG1 2.75Å; C55-T104 PolarHBondContact O-OG1 3.34Å
105	C	91.1	Very high	88.4	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.061	23%	0.225	C	C	.	.	S	Bend	trans	-58.9	158.2	178.6	66.6	0	0	0	0	111.6	C55 C59 C103 C109	C55-C105 HydrophobicContact CB-CB 4.45Å; C55-C105 WeakPolarHBondContact O-CA 3.45Å; C55-C105 PolarHBondContact O-N 3.48Å; C59-C105 WeakPolarHBondContact SG-CB 3.29Å; C103-C105 VanDerWaalsContact C-N 3.34Å; C105-C109 HydrophobicContact CB-CB 4.24Å
106	S	89.4	Confident	88.8	Confident	75 Å²	75	45.6 Å²	45.6	52%	0.524	24%	0.242	S	C	.	.			trans	-48.7	147.9	178.8	-180	0	0	0	0	113.4	N108 C109	S106-N108 PolarHBondContact O-N 2.95Å; S106-N108 PolarHBondContact OG-N 3.11Å; S106-C109 WeakPolarHBondContact O-CB 3.34Å; S106-C109 PolarHBondContact O-N 3.46Å
107	R	87.1	Confident	89.3	Confident	229 Å²	229	49.6 Å²	49.6	86%	0.864	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.3	169.7	-67.4	-174.4	-179.6	-173.1	-0	112.2	C109	R107-C109 VanDerWaalsContact C-N 3.35Å
108	N	85.2	Confident	89.7	Confident	123 Å²	123	49.9 Å²	49.9	66%	0.658	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	20.7	177.4	-62.5	-28.7	0	0	0	112.9	K79 S106 A110	K79-N108 WeakPolarHBondContact CE-O 3.31Å; K79-N108 PolarHBondContact NZ-O 3.4Å; S106-N108 PolarHBondContact O-N 2.95Å; S106-N108 PolarHBondContact OG-N 3.11Å; N108-A110 PolarHBondContact O-N 2.82Å
109	C	86.9	Confident	90	Very high	7 Å²	7	53.9 Å²	53.9	5%	0.047	29%	0.293	C	S	.	.			trans	-51.2	133	175	174.8	0	0	0	0	110.1	C59 C105 S106 R107 N111 K112	C59-C109 VanDerWaalsContact CB-SG 3.54Å; C59-C109 VanDerWaalsContact SG-SG 3.65Å; C105-C109 HydrophobicContact CB-CB 4.24Å; S106-C109 WeakPolarHBondContact O-CB 3.34Å; S106-C109 PolarHBondContact O-N 3.46Å; R107-C109 VanDerWaalsContact C-N 3.35Å; C109-N111 PolarHBondContact O-N 3.47Å; C109-N111 PolarHBondContact SG-N 2.7Å; C109-N111 VanDerWaalsContact SG-N 3.43Å; C109-K112 HydrophobicContact CB-CD 4.3Å; C109-K112 HydrophobicContact CB-CG 4.13Å; C109-K112 PolarHBondContact O-N 3.48Å
110	A	83.2	Confident	90.4	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.041	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-178	0	0	0	0	0	112.2	D58 L60 K79 N108 K112 V113	D58-A110 VanDerWaalsContact OD1-CB 3.32Å; D58-A110 WeakPolarHBondContact OD1-CB 2.92Å; D58-A110 PolarHBondContact OD1-N 3.44Å; D58-A110 WeakPolarHBondContact OD2-CB 3.41Å; L60-A110 HydrophobicContact CB-CB 3.9Å; L60-A110 HydrophobicContact CD2-CB 3.86Å; L60-A110 HydrophobicContact CG-CB 4.49Å; K79-A110 HydrophobicContact CG-CB 4.49Å; N108-A110 PolarHBondContact O-N 2.82Å; A110-K112 PolarHBondContact O-N 2.89Å; A110-V113 WeakPolarHBondContact O-CG2 3.44Å
111	N	86.9	Confident	90.7	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.043	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	36.1	171.7	-163.5	31.4	0	0	0	113.7	C59 S97 E98 C99 C109	C59-N111 HydrophobicContact CB-CB 4.1Å; S97-N111 PolarHBondContact O-ND2 2.75Å; S97-N111 PolarHBondContact O-OD1 3.16Å; E98-N111 CarbonylContact C-O 3.38Å; E98-N111 WeakPolarHBondContact CA-O 3.34Å; E98-N111 VanDerWaalsContact CB-O 3.28Å; E98-N111 WeakPolarHBondContact CB-O 3.11Å; C99-N111 PolarHBondContact N-ND2 3.05Å; C99-N111 PolarHBondContact N-O 3.03Å; C109-N111 PolarHBondContact O-N 3.47Å; C109-N111 PolarHBondContact SG-N 2.7Å; C109-N111 VanDerWaalsContact SG-N 3.43Å
112	K	88.8	Confident	91.1	Very high	29 Å²	29	50.7 Å²	50.7	13%	0.126	28%	0.278	C	S	.	.			trans	-135.5	31.4	176.1	-64.3	-166.8	170.8	-164.2	0	112.3	C99 H100 C109 A110 T114 Q115	C99-K112 HydrophobicContact CB-CD 4.44Å; C99-K112 HydrophobicContact CB-CG 3.96Å; C99-K112 WeakPolarHBondContact O-CE 3.49Å; C99-K112 WeakPolarHBondContact O-CG 3.47Å; H100-K112 PolarHBondContact O-NZ 3.08Å; C109-K112 HydrophobicContact CB-CD 4.3Å; C109-K112 HydrophobicContact CB-CG 4.13Å; C109-K112 PolarHBondContact O-N 3.48Å; A110-K112 PolarHBondContact O-N 2.89Å; K112-T114 PolarHBondContact O-N 3.35Å; K112-Q115 HydrophobicContact CB-CB 4.49Å; K112-Q115 WeakPolarHBondContact O-CB 3.42Å; K112-Q115 PolarHBondContact O-N 2.79Å
113	V	88.3	Confident	91.5	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.7	-51.2	-168.3	179.1	0	0	0	0	112.4	C77 N78 E98 A110 Q115 S116 F145	C77-V113 VanDerWaalsContact C-CG2 3.48Å; C77-V113 HydrophobicContact CB-CB 3.83Å; C77-V113 HydrophobicContact CB-CG2 3.51Å; N78-V113 WeakPolarHBondContact O-CG2 3.37Å; E98-V113 PolarHBondContact OE1-N 3.41Å; A110-V113 WeakPolarHBondContact O-CG2 3.44Å; V113-Q115 PolarHBondContact O-N 3.48Å; V113-S116 VanDerWaalsContact O-CB 3.22Å; V113-S116 WeakPolarHBondContact O-CB 3.47Å; V113-S116 PolarHBondContact O-N 3.47Å; V113-S116 VanDerWaalsContact O-N 3.13Å; V113-S116 PolarHBondContact O-OG 2.7Å; V113-F145 HydrophobicContact CG1-CB 4Å
114	T	91.5	Very high	91.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.8	-2.7	-174.1	66.7	0	0	0	0	113.6	E98 K112 S116 F145 V208 R219 C221 F223	E98-T114 WeakPolarHBondContact OE1-CB 3.45Å; E98-T114 WeakPolarHBondContact OE1-CG2 3.18Å; E98-T114 PolarHBondContact OE1-N 3.01Å; E98-T114 PolarHBondContact OE1-OG1 2.95Å; E98-T114 PolarHBondContact OE2-OG1 3.32Å; K112-T114 PolarHBondContact O-N 3.35Å; T114-S116 VanDerWaalsContact C-N 3.27Å; T114-F145 HydrophobicContact CG2-CD2 3.58Å; T114-F145 HydrophobicContact CG2-CE2 3.74Å; T114-F145 HydrophobicContact CG2-CG 4.06Å; T114-F145 HydrophobicContact CG2-CZ 4.34Å; T114-V208 HydrophobicContact CG2-CG2 4.15Å; T114-R219 PolarHBondContact O-NH1 2.94Å; T114-R219 PolarHBondContact OG1-NH2 3.47Å; T114-C221 HydrophobicContact CG2-CB 3.99Å; T114-F223 HydrophobicContact CG2-CE1 4.4Å; T114-F223 HydrophobicContact CG2-CE2 4Å; T114-F223 HydrophobicContact CG2-CZ 3.43Å; T114-F223 VanDerWaalsContact CG2-CZ 3.43Å
115	Q	91.2	Very high	92	Very high	61 Å²	61	47.8 Å²	47.8	29%	0.285	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-82.3	-9.6	168.6	-69	162.5	57.3	0	0	112.1	E98 C99 K112 V113	E98-Q115 WeakPolarHBondContact OE2-CG 3.39Å; E98-Q115 PolarHBondContact OE2-NE2 3.42Å; C99-Q115 PolarHBondContact O-NE2 3.42Å; K112-Q115 HydrophobicContact CB-CB 4.49Å; K112-Q115 WeakPolarHBondContact O-CB 3.42Å; K112-Q115 PolarHBondContact O-N 2.79Å; V113-Q115 PolarHBondContact O-N 3.48Å
116	S	88.7	Confident	92.3	Very high	61 Å²	61	49 Å²	49	43%	0.427	25%	0.25	S	C	.	.	S	Bend	trans	-65.5	147	174.8	-53.6	0	0	0	0	110.7	V113 T114	V113-S116 VanDerWaalsContact O-CB 3.22Å; V113-S116 WeakPolarHBondContact O-CB 3.47Å; V113-S116 PolarHBondContact O-N 3.47Å; V113-S116 VanDerWaalsContact O-N 3.13Å; V113-S116 PolarHBondContact O-OG 2.7Å; T114-S116 VanDerWaalsContact C-N 3.27Å
117	P	92.6	Very high	92.5	Very high	87 Å²	87	46.7 Å²	46.7	57%	0.565	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-68.6	167.6	175.6	34.2	-38.6	0	0	0	111.1	P14 T119	P14-P117 HydrophobicContact CG-CB 4.05Å; P117-T119 PolarHBondContact O-N 3.09Å
118	L	96.3	Very high	92.8	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-57	123.5	174.9	-175.2	68.9	0	0	0	110.4	E13 P14 V15 V17 F122 L146 F147 L191	E13-L118 HydrophobicContact CB-CD2 3.98Å; E13-L118 HydrophobicContact CG-CD2 3.89Å; P14-L118 HydrophobicContact CG-CB 4.45Å; P14-L118 WeakPolarHBondContact CG-O 3.12Å; V15-L118 HydrophobicContact CG2-CB 4.32Å; V15-L118 HydrophobicContact CG2-CD2 3.62Å; V15-L118 HydrophobicContact CG2-CG 3.71Å; V17-L118 HydrophobicContact CG2-CD2 4.18Å; L118-F122 HydrophobicContact CD1-CD2 4.06Å; L118-F122 HydrophobicContact CD1-CE2 3.73Å; L118-L146 WeakPolarHBondContact CD1-O 3.4Å; L118-F147 HydrophobicContact CD1-CB 4.07Å; L118-F147 HydrophobicContact CD1-CD1 4.01Å; L118-L191 HydrophobicContact CD1-CD1 4.25Å; L118-L191 HydrophobicContact CD1-CD2 4.49Å; L118-L191 HydrophobicContact CD2-CD1 4.15Å; L118-L191 HydrophobicContact CD2-CD2 4.37Å
119	T	95.6	Very high	93.1	Very high	84 Å²	84	37.1 Å²	37.1	52%	0.515	22%	0.218	S	C	.	.			trans	-110.9	-38.7	-178.7	49.4	0	0	0	0	113.2	P117	P117-T119 PolarHBondContact O-N 3.09Å
120	F	97.7	Very high	93.4	Very high	32 Å²	32	39.7 Å²	39.7	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-78.5	143.4	-179.9	-61.5	-73.3	0	0	0	112	F122 E138 I140 F145	F120-F122 HydrophobicContact CB-CD2 4.46Å; F120-F122 HydrophobicContact CB-CE2 3.61Å; F120-F122 HydrophobicContact CB-CZ 3.76Å; F120-F122 WeakPolarHBondContact O-CD2 3.5Å; F120-F122 VanDerWaalsContact O-CE2 3.25Å; F120-F122 WeakPolarHBondContact O-CE2 3.32Å; F120-E138 WeakPolarHBondContact CA-OE1 3Å; F120-E138 HydrophobicContact CD1-CG 4.42Å; F120-I140 HydrophobicContact CB-CD1 4.3Å; F120-I140 HydrophobicContact CB-CG1 4.33Å; F120-I140 HydrophobicContact CD1-CB 4.42Å; F120-I140 HydrophobicContact CD1-CG1 3.87Å; F120-I140 HydrophobicContact CD1-CG2 4.32Å; F120-I140 HydrophobicContact CD2-CG2 4.23Å; F120-I140 HydrophobicContact CE1-CB 4.38Å; F120-I140 HydrophobicContact CE1-CG1 4.32Å; F120-I140 HydrophobicContact CE1-CG2 4.07Å; F120-I140 HydrophobicContact CE2-CG2 3.98Å; F120-I140 HydrophobicContact CG-CD1 4.36Å; F120-I140 HydrophobicContact CG-CG1 4.04Å; F120-I140 HydrophobicContact CG-CG2 4.39Å; F120-I140 HydrophobicContact CZ-CG2 3.89Å; F120-F145 WeakPolarHBondContact CE2-O 3.16Å
121	Q	98.2	Very high	93.9	Very high	52 Å²	52	40.7 Å²	40.7	24%	0.243	24%	0.239	C	C	.	.			trans	-82.3	124.3	177.5	-172.9	58.4	72.4	0	0	110.6	P16 S137 E138	P16-Q121 PolarHBondContact O-NE2 2.79Å; Q121-S137 VanDerWaalsContact O-CB 3.3Å; Q121-S137 WeakPolarHBondContact O-CB 3.48Å; Q121-S137 PolarHBondContact O-N 2.85Å; Q121-E138 HydrophobicContact CB-CG 4.42Å; Q121-E138 VanDerWaalsContact CB-OE1 3.29Å; Q121-E138 WeakPolarHBondContact CB-OE1 3.18Å; Q121-E138 PolarHBondContact N-OE1 2.92Å
122	F	98.7	Very high	94.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	165.2	176.8	-60.8	-85	0	0	0	111.7	L118 F120 L134 F135 I140 L146 F147 L191 I234	L118-F122 HydrophobicContact CD1-CD2 4.06Å; L118-F122 HydrophobicContact CD1-CE2 3.73Å; F120-F122 HydrophobicContact CB-CD2 4.46Å; F120-F122 HydrophobicContact CB-CE2 3.61Å; F120-F122 HydrophobicContact CB-CZ 3.76Å; F120-F122 WeakPolarHBondContact O-CD2 3.5Å; F120-F122 VanDerWaalsContact O-CE2 3.25Å; F120-F122 WeakPolarHBondContact O-CE2 3.32Å; F122-L134 HydrophobicContact CB-CD1 3.87Å; F122-L134 HydrophobicContact CB-CG 4.31Å; F122-L134 HydrophobicContact CD1-CD2 4.15Å; F122-L134 HydrophobicContact CD1-CG 4.18Å; F122-L134 HydrophobicContact CG-CD1 4.45Å; F122-L134 HydrophobicContact CG-CD2 4.43Å; F122-L134 HydrophobicContact CG-CG 4.47Å; F122-F135 VanDerWaalsContact CA-O 3.32Å; F122-F135 WeakPolarHBondContact CA-O 3.44Å; F122-I140 HydrophobicContact CE1-CD1 3.52Å; F122-I140 HydrophobicContact CZ-CD1 3.72Å; F122-L146 HydrophobicContact CE1-CD2 4.11Å; F122-L146 HydrophobicContact CZ-CB 4.17Å; F122-L146 HydrophobicContact CZ-CD2 4Å; F122-L146 HydrophobicContact CZ-CG 3.95Å; F122-F147 HydrophobicContact CD2-CE1 4.45Å; F122-F147 HydrophobicContact CE1-CE1 4.07Å; F122-F147 AromaticContact CE2-CD1 3.93Å; F122-F147 HydrophobicContact CE2-CD1 3.93Å; F122-F147 AromaticContact CE2-CE1 3.99Å; F122-F147 HydrophobicContact CE2-CE1 3.99Å; F122-F147 HydrophobicContact CZ-CD1 4.08Å; F122-F147 AromaticContact CZ-CE1 3.79Å; F122-F147 HydrophobicContact CZ-CE1 3.79Å; F122-L191 HydrophobicContact CB-CD1 4.01Å; F122-L191 HydrophobicContact CD2-CD1 3.55Å; F122-L191 HydrophobicContact CE2-CD1 4.23Å; F122-L191 HydrophobicContact CG-CD1 3.87Å; F122-I234 HydrophobicContact CD1-CD1 4.48Å; F122-I234 HydrophobicContact CD1-CG1 4.03Å; F122-I234 HydrophobicContact CE1-CD1 3.95Å; F122-I234 HydrophobicContact CE1-CG1 3.84Å
123	H	98.5	Very high	94.9	Very high	28 Å²	28	40.3 Å²	40.3	13%	0.13	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.7	166	63	-82.8	0	0	0	111.4	S18 F20 F135 S137	S18-H123 CarbonylContact O-C 3.59Å; S18-H123 WeakPolarHBondContact O-CA 3.33Å; F20-H123 HydrophobicContact CD2-CB 3.99Å; F20-H123 HydrophobicContact CE2-CB 3.89Å; H123-F135 VanDerWaalsContact CE1-CB 3.45Å; H123-F135 WeakPolarHBondContact CE1-CB 3.46Å; H123-F135 PolarHBondContact N-O 3.18Å; H123-F135 WeakPolarHBondContact NE2-CB 3.2Å; H123-F135 PolarHBondContact O-N 3.43Å; H123-S137 PolarHBondContact ND1-OG 2.75Å
124	V	98.6	Very high	95.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.2	175.3	178.6	0	0	0	0	109.2	I8 V17 S18 L19 F20 L28 W132 G133 L134 F194	I8-V124 HydrophobicContact CD1-CG2 3.83Å; V17-V124 HydrophobicContact CG1-CG2 4.14Å; S18-V124 PolarHBondContact O-N 3.49Å; L19-V124 CarbonylContact C-O 3.54Å; L19-V124 WeakPolarHBondContact CA-O 3.29Å; L19-V124 HydrophobicContact CD1-CB 3.85Å; L19-V124 HydrophobicContact CD1-CG1 3.67Å; F20-V124 PolarHBondContact N-O 3.09Å; L28-V124 HydrophobicContact CD2-CG1 4.45Å; V124-W132 HydrophobicContact CG1-CB 4.15Å; V124-W132 HydrophobicContact CG1-CD2 4.46Å; V124-W132 HydrophobicContact CG1-CE3 3.86Å; V124-G133 CarbonylContact C-O 3.56Å; V124-G133 WeakPolarHBondContact CA-O 3.39Å; V124-L134 HydrophobicContact CG2-CD1 3.86Å; V124-F194 HydrophobicContact CG1-CB 4.42Å; V124-F194 HydrophobicContact CG1-CD1 4.1Å; V124-F194 HydrophobicContact CG1-CD2 4.38Å; V124-F194 HydrophobicContact CG1-CE1 4.47Å; V124-F194 HydrophobicContact CG1-CG 4.04Å; V124-F194 HydrophobicContact CG2-CB 4.29Å; V124-F194 HydrophobicContact CG2-CD2 3.69Å; V124-F194 HydrophobicContact CG2-CE2 4.22Å; V124-F194 HydrophobicContact CG2-CG 4.02Å
125	R	97.3	Very high	95.7	Very high	91 Å²	91	40 Å²	40	34%	0.343	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.5	-179.1	176.2	171.9	72.9	140.1	2	112.3	M1 F20 C127 G133 F135	M1-R125 HydrophobicContact CE-CG 3.49Å; M1-R125 VanDerWaalsContact CE-CG 3.49Å; F20-R125 WeakPolarHBondContact O-CA 3.35Å; R125-C127 PolarHBondContact O-N 3.04Å; R125-C127 PolarHBondContact O-SG 2.94Å; R125-G133 PolarHBondContact N-O 2.9Å; R125-G133 PolarHBondContact O-N 3.26Å; R125-F135 HydrophobicContact CB-CD2 3.76Å; R125-F135 HydrophobicContact CB-CE2 3.72Å; R125-F135 HydrophobicContact CG-CE2 4.44Å
126	H	96.8	Very high	96.1	Very high	35 Å²	35	37 Å²	37	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.5	170.5	-169.1	-93.4	0	0	0	111.7	F20 Y26 G128 W132	F20-H126 PolarHBondContact O-N 2.6Å; Y26-H126 AromaticContact CD1-CD2 3.6Å; Y26-H126 AromaticContact CD1-CG 3.85Å; Y26-H126 AromaticContact CD1-NE2 3.73Å; Y26-H126 AromaticContact CE1-CD2 3.73Å; Y26-H126 AromaticContact CE1-CE1 3.35Å; Y26-H126 WeakPolarHBondContact CE1-CE1 3.33Å; Y26-H126 AromaticContact CE1-CG 3.83Å; Y26-H126 AromaticContact CE1-ND1 3.59Å; Y26-H126 AromaticContact CE1-NE2 3.42Å; Y26-H126 WeakPolarHBondContact CE1-NE2 3.49Å; H126-G128 PolarHBondContact CE1-N 2.92Å; H126-G128 PolarHBondContact CE1-O 2.72Å; H126-G128 PolarHBondContact ND1-N 3.47Å; H126-W132 HydrophobicContact CB-CD2 4.46Å; H126-W132 HydrophobicContact CB-CE3 3.94Å; H126-W132 HydrophobicContact CB-CH2 4.13Å; H126-W132 HydrophobicContact CB-CZ3 3.76Å
127	C	94.7	Very high	96.5	Very high	26 Å²	26	36.5 Å²	36.5	18%	0.176	22%	0.216	C	C	.	.			trans	-113.9	31.9	-171.1	-64.4	0	0	0	0	113.1	R125 S129 K130 G131 F135	R125-C127 PolarHBondContact O-N 3.04Å; R125-C127 PolarHBondContact O-SG 2.94Å; C127-S129 PolarHBondContact O-N 3.07Å; C127-K130 HydrophobicContact CB-CB 3.96Å; C127-K130 PolarHBondContact O-N 2.95Å; C127-G131 WeakPolarHBondContact CA-O 3.32Å; C127-G131 WeakPolarHBondContact CB-O 3.36Å; C127-G131 PolarHBondContact N-O 3.08Å; C127-F135 WeakPolarHBondContact SG-CE2 3.44Å; C127-F135 WeakPolarHBondContact SG-CZ 3.32Å
128	G	92.8	Very high	96.8	Very high	44 Å²	44	36.1 Å²	36.1	45%	0.454	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	66.2	-125.2	178.4	0	0	0	0	0	111.3	H126 K130 G131	H126-G128 PolarHBondContact CE1-N 2.92Å; H126-G128 PolarHBondContact CE1-O 2.72Å; H126-G128 PolarHBondContact ND1-N 3.47Å; G128-K130 PolarHBondContact O-N 3.41Å; G128-G131 PolarHBondContact O-N 3.35Å; G128-G131 VanDerWaalsContact O-N 3.12Å
129	S	92	Very high	96.9	Very high	107 Å²	107	39.2 Å²	39.2	75%	0.748	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-69.8	-10.7	-178.9	51.6	0	0	0	0	114.7	C127 G131 L252	C127-S129 PolarHBondContact O-N 3.07Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-L252 WeakPolarHBondContact OG-CD1 3.22Å
130	K	92.8	Very high	97	Very high	61 Å²	61	35.2 Å²	35.2	27%	0.265	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-80.2	-8	171.1	-65.1	-166	-63	165.7	0	113.4	C127 G128 E233 L252	C127-K130 HydrophobicContact CB-CB 3.96Å; C127-K130 PolarHBondContact O-N 2.95Å; G128-K130 PolarHBondContact O-N 3.41Å; K130-E233 IonicContact NZ-OE1 2.69Å; K130-E233 PolarHBondContact NZ-OE1 2.91Å; K130-E233 IonicContact NZ-OE2 3.8Å; K130-E233 PolarHBondContact NZ-OE2 3.33Å; K130-L252 HydrophobicContact CD-CB 4.06Å; K130-L252 HydrophobicContact CG-CB 3.71Å; K130-L252 HydrophobicContact CG-CD1 3.97Å
131	G	94.7	Very high	96.9	Very high	26 Å²	26	36.4 Å²	36.4	27%	0.268	21%	0.207	S	C	.	.			trans	76.4	-132.3	-171.4	0	0	0	0	0	111.4	C127 G128 S129	C127-G131 WeakPolarHBondContact CA-O 3.32Å; C127-G131 WeakPolarHBondContact CB-O 3.36Å; C127-G131 PolarHBondContact N-O 3.08Å; G128-G131 PolarHBondContact O-N 3.35Å; G128-G131 VanDerWaalsContact O-N 3.12Å; S129-G131 VanDerWaalsContact C-N 3.28Å
132	W	97.6	Very high	96.6	Very high	29 Å²	29	35.6 Å²	35.6	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	148	-178.5	-63	96.4	0	0	0	111.2	L4 L19 F20 A21 L28 V124 H126 F194 N196	L4-W132 HydrophobicContact CD1-CH2 4.32Å; L19-W132 HydrophobicContact CD1-CE3 3.72Å; L19-W132 HydrophobicContact CD1-CH2 3.92Å; L19-W132 HydrophobicContact CD1-CZ3 3.33Å; L19-W132 HydrophobicContact CG-CH2 4.45Å; L19-W132 HydrophobicContact CG-CZ3 4.18Å; F20-W132 WeakPolarHBondContact O-CZ3 3.37Å; A21-W132 HydrophobicContact CB-CH2 4.05Å; A21-W132 HydrophobicContact CB-CZ3 4.41Å; L28-W132 HydrophobicContact CD2-CD2 3.53Å; L28-W132 HydrophobicContact CD2-CE3 4.02Å; L28-W132 HydrophobicContact CD2-CG 3.75Å; L28-W132 HydrophobicContact CD2-CH2 4.48Å; L28-W132 HydrophobicContact CD2-CZ2 4.08Å; L28-W132 HydrophobicContact CD2-CZ3 4.46Å; V124-W132 HydrophobicContact CG1-CB 4.15Å; V124-W132 HydrophobicContact CG1-CD2 4.46Å; V124-W132 HydrophobicContact CG1-CE3 3.86Å; H126-W132 HydrophobicContact CB-CD2 4.46Å; H126-W132 HydrophobicContact CB-CE3 3.94Å; H126-W132 HydrophobicContact CB-CH2 4.13Å; H126-W132 HydrophobicContact CB-CZ3 3.76Å; W132-F194 HydrophobicContact CB-CD1 3.74Å; W132-F194 HydrophobicContact CB-CE1 4.21Å; W132-N196 PolarHBondContact O-ND2 3.48Å; W132-N196 PolarHBondContact O-OD1 3.31Å
133	G	98.2	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.1	178	0	0	0	0	0	111.4	V124 R125 F135 F194 N196	V124-G133 CarbonylContact C-O 3.56Å; V124-G133 WeakPolarHBondContact CA-O 3.39Å; R125-G133 PolarHBondContact N-O 2.9Å; R125-G133 PolarHBondContact O-N 3.26Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; G133-F194 CarbonylContact C-O 3.55Å; G133-F194 VanDerWaalsContact CA-O 3.26Å; G133-F194 WeakPolarHBondContact CA-O 3.27Å; G133-N196 WeakPolarHBondContact CA-ND2 3.45Å
134	L	98.7	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.2	174.4	-169	70.8	0	0	0	110.6	F122 V124 F147 L191 F194 V195 E233 I234	F122-L134 HydrophobicContact CB-CD1 3.87Å; F122-L134 HydrophobicContact CB-CG 4.31Å; F122-L134 HydrophobicContact CD1-CD2 4.15Å; F122-L134 HydrophobicContact CD1-CG 4.18Å; F122-L134 HydrophobicContact CG-CD1 4.45Å; F122-L134 HydrophobicContact CG-CD2 4.43Å; F122-L134 HydrophobicContact CG-CG 4.47Å; V124-L134 HydrophobicContact CG2-CD1 3.86Å; L134-F147 HydrophobicContact CD2-CE1 3.54Å; L134-F147 HydrophobicContact CD2-CE2 4.49Å; L134-F147 HydrophobicContact CD2-CZ 3.4Å; L134-F147 VanDerWaalsContact CD2-CZ 3.4Å; L134-L191 HydrophobicContact CD1-CB 4.06Å; L134-L191 HydrophobicContact CD1-CD1 4.14Å; L134-L191 HydrophobicContact CD1-CG 4.46Å; L134-L191 HydrophobicContact CD2-CB 4.48Å; L134-L191 HydrophobicContact CD2-CD1 3.99Å; L134-L191 HydrophobicContact CD2-CG 4.15Å; L134-F194 HydrophobicContact CB-CB 4.2Å; L134-F194 PolarHBondContact N-O 2.89Å; L134-V195 HydrophobicContact CB-CG2 4.32Å; L134-V195 HydrophobicContact CD2-CG2 3.79Å; L134-E233 CarbonylContact O-C 3.59Å; L134-E233 WeakPolarHBondContact O-CA 3.13Å; L134-I234 HydrophobicContact CB-CB 4.37Å; L134-I234 HydrophobicContact CD2-CB 4.32Å; L134-I234 HydrophobicContact CD2-CG1 4.26Å; L134-I234 HydrophobicContact CG-CG1 4.31Å; L134-I234 PolarHBondContact O-N 3.21Å
135	F	98.7	Very high	95.7	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.8	-176.7	-67.1	-97.4	0	0	0	110.8	F122 H123 R125 C127 G133 S231 E232 E233	F122-F135 VanDerWaalsContact CA-O 3.32Å; F122-F135 WeakPolarHBondContact CA-O 3.44Å; H123-F135 VanDerWaalsContact CE1-CB 3.45Å; H123-F135 WeakPolarHBondContact CE1-CB 3.46Å; H123-F135 PolarHBondContact N-O 3.18Å; H123-F135 WeakPolarHBondContact NE2-CB 3.2Å; H123-F135 PolarHBondContact O-N 3.43Å; R125-F135 HydrophobicContact CB-CD2 3.76Å; R125-F135 HydrophobicContact CB-CE2 3.72Å; R125-F135 HydrophobicContact CG-CE2 4.44Å; C127-F135 WeakPolarHBondContact SG-CE2 3.44Å; C127-F135 WeakPolarHBondContact SG-CZ 3.32Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; F135-S231 WeakPolarHBondContact CD1-O 3.47Å; F135-E232 VanDerWaalsContact CA-O 3.29Å; F135-E232 WeakPolarHBondContact CA-O 3.4Å; F135-E233 HydrophobicContact CD1-CB 3.87Å; F135-E233 HydrophobicContact CD1-CG 4.33Å; F135-E233 HydrophobicContact CE1-CB 3.43Å; F135-E233 VanDerWaalsContact CE1-CB 3.43Å; F135-E233 HydrophobicContact CE1-CG 3.78Å; F135-E233 HydrophobicContact CE2-CG 4.14Å; F135-E233 HydrophobicContact CZ-CB 3.86Å; F135-E233 HydrophobicContact CZ-CG 3.64Å
136	A	98.7	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.3	170.9	0	0	0	0	0	110	I140 I228 S231 E232 I234	A136-I140 HydrophobicContact CB-CD1 3.87Å; A136-I140 HydrophobicContact CB-CG1 4.36Å; A136-I228 HydrophobicContact CB-CG2 3.89Å; A136-S231 WeakPolarHBondContact O-CA 3.23Å; A136-S231 PolarHBondContact O-N 2.88Å; A136-E232 PolarHBondContact N-O 2.66Å; A136-I234 HydrophobicContact CB-CD1 4.19Å
137	S	98	Very high	95.6	Very high	50 Å²	50	33.6 Å²	33.6	35%	0.35	20%	0.204	S	C	.	.	S	Bend	trans	-96.7	-10.7	171.8	-58.2	0	0	0	0	112.5	Q121 H123	Q121-S137 VanDerWaalsContact O-CB 3.3Å; Q121-S137 WeakPolarHBondContact O-CB 3.48Å; Q121-S137 PolarHBondContact O-N 2.85Å; H123-S137 PolarHBondContact ND1-OG 2.75Å
138	E	98.1	Very high	95.7	Very high	78 Å²	78	33.7 Å²	33.7	36%	0.364	20%	0.201	S	C	.	.	S	Bend	trans	-140.7	175.6	179.5	66.9	-176.7	123	0	0	110.5	F120 Q121	F120-E138 WeakPolarHBondContact CA-OE1 3Å; F120-E138 HydrophobicContact CD1-CG 4.42Å; Q121-E138 HydrophobicContact CB-CG 4.42Å; Q121-E138 VanDerWaalsContact CB-OE1 3.29Å; Q121-E138 WeakPolarHBondContact CB-OE1 3.18Å; Q121-E138 PolarHBondContact N-OE1 2.92Å
139	H	98.2	Very high	95.9	Very high	76 Å²	76	32.3 Å²	32.3	35%	0.352	18%	0.183	S	C	.	.			trans	-71.5	128.4	174.5	175.9	-98	0	0	0	110.7	D227 I228 Q229	H139-D227 IonicContact NE2-OD2 3.35Å; H139-I228 WeakPolarHBondContact CA-O 3.35Å; H139-Q229 PolarHBondContact CD2-NE2 2.82Å
140	I	97.4	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-112.8	113.4	174.2	-52.8	173.9	0	0	0	107.7	F120 F122 A136 L146 D227 I228 I234	F120-I140 HydrophobicContact CB-CD1 4.3Å; F120-I140 HydrophobicContact CB-CG1 4.33Å; F120-I140 HydrophobicContact CD1-CB 4.42Å; F120-I140 HydrophobicContact CD1-CG1 3.87Å; F120-I140 HydrophobicContact CD1-CG2 4.32Å; F120-I140 HydrophobicContact CD2-CG2 4.23Å; F120-I140 HydrophobicContact CE1-CB 4.38Å; F120-I140 HydrophobicContact CE1-CG1 4.32Å; F120-I140 HydrophobicContact CE1-CG2 4.07Å; F120-I140 HydrophobicContact CE2-CG2 3.98Å; F120-I140 HydrophobicContact CG-CD1 4.36Å; F120-I140 HydrophobicContact CG-CG1 4.04Å; F120-I140 HydrophobicContact CG-CG2 4.39Å; F120-I140 HydrophobicContact CZ-CG2 3.89Å; F122-I140 HydrophobicContact CE1-CD1 3.52Å; F122-I140 HydrophobicContact CZ-CD1 3.72Å; A136-I140 HydrophobicContact CB-CD1 3.87Å; A136-I140 HydrophobicContact CB-CG1 4.36Å; I140-L146 HydrophobicContact CD1-CD2 4.3Å; I140-L146 HydrophobicContact CD1-CG 4.41Å; I140-L146 HydrophobicContact CG2-CD1 4Å; I140-L146 HydrophobicContact CG2-CG 4.43Å; I140-D227 WeakPolarHBondContact O-CA 3.09Å; I140-I228 HydrophobicContact CB-CB 4.12Å; I140-I228 PolarHBondContact N-O 3.33Å; I140-I228 PolarHBondContact O-N 3.3Å; I140-I234 HydrophobicContact CD1-CD1 4.23Å
141	P	96.1	Very high	96.3	Very high	56 Å²	56	24.3 Å²	24.3	36%	0.364	13%	0.134	S	C	.	.			trans	-59.6	151	177.1	-22	32.6	0	0	0	111.9	S144 S224	P141-S144 VanDerWaalsContact O-CB 3.31Å; P141-S144 WeakPolarHBondContact O-CB 3.21Å; P141-S144 PolarHBondContact O-N 3.05Å; P141-S144 PolarHBondContact O-OG 3.43Å; P141-S224 PolarHBondContact O-OG 3.18Å
142	A	92.3	Very high	96.4	Very high	35 Å²	35	26.6 Å²	26.6	29%	0.289	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	148.2	170.8	0	0	0	0	0	111.5	S144 Q226 D227	A142-S144 PolarHBondContact O-N 3.13Å; A142-S144 VanDerWaalsContact O-N 3.14Å; A142-Q226 VanDerWaalsContact CA-C 3.49Å; A142-Q226 WeakPolarHBondContact CA-O 3.28Å; A142-D227 WeakPolarHBondContact CB-OD1 3.46Å; A142-D227 PolarHBondContact N-OD1 3.49Å
143	K	89.3	Confident	96.2	Very high	79 Å²	79	25.7 Å²	25.7	34%	0.343	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-0.2	177	-55.2	178.8	-176.3	-176.9	0	115.4	G81 V82 T83 S224	G81-K143 CarbonylContact C-O 3.6Å; G81-K143 WeakPolarHBondContact CA-O 3.4Å; V82-K143 HydrophobicContact CG2-CB 3.73Å; V82-K143 HydrophobicContact CG2-CG 4.13Å; V82-K143 PolarHBondContact N-O 3.21Å; V82-K143 WeakPolarHBondContact O-CB 3.48Å; V82-K143 VanDerWaalsContact O-CD 3.29Å; V82-K143 WeakPolarHBondContact O-CD 3.18Å; T83-K143 PolarHBondContact O-NZ 2.97Å; K143-S224 WeakPolarHBondContact CA-O 3.23Å; K143-S224 PolarHBondContact N-O 3.11Å; K143-S224 PolarHBondContact N-OG 2.86Å
144	S	92.7	Very high	95.8	Very high	8 Å²	8	26.8 Å²	26.8	6%	0.056	14%	0.14	C	C	.	.			trans	-65.4	144.2	180	-59.1	0	0	0	0	112.2	P141 A142 L146 F223 S224	P141-S144 VanDerWaalsContact O-CB 3.31Å; P141-S144 WeakPolarHBondContact O-CB 3.21Å; P141-S144 PolarHBondContact O-N 3.05Å; P141-S144 PolarHBondContact O-OG 3.43Å; A142-S144 PolarHBondContact O-N 3.13Å; A142-S144 VanDerWaalsContact O-N 3.14Å; S144-L146 WeakPolarHBondContact O-CD1 3.25Å; S144-F223 CarbonylContact O-C 3.59Å; S144-F223 WeakPolarHBondContact O-CA 3.14Å; S144-F223 WeakPolarHBondContact O-CD1 3.23Å; S144-S224 PolarHBondContact N-OG 3.27Å; S144-S224 PolarHBondContact O-N 3.47Å
145	F	94.2	Very high	95.2	Very high	18 Å²	18	28.3 Å²	28.3	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.4	165	171.2	-117	0	0	0	109.9	V113 T114 F120 F147 C221 F223	V113-F145 HydrophobicContact CG1-CB 4Å; T114-F145 HydrophobicContact CG2-CD2 3.58Å; T114-F145 HydrophobicContact CG2-CE2 3.74Å; T114-F145 HydrophobicContact CG2-CG 4.06Å; T114-F145 HydrophobicContact CG2-CZ 4.34Å; F120-F145 WeakPolarHBondContact CE2-O 3.16Å; F145-F147 VanDerWaalsContact CE2-C 3.43Å; F145-F147 WeakPolarHBondContact CE2-O 3.25Å; F145-C221 HydrophobicContact CD2-CB 4.27Å; F145-C221 HydrophobicContact CE2-CB 3.86Å; F145-F223 HydrophobicContact CB-CD1 3.96Å; F145-F223 HydrophobicContact CB-CE1 3.53Å; F145-F223 HydrophobicContact CB-CZ 4.12Å; F145-F223 HydrophobicContact CD2-CE1 4.18Å; F145-F223 HydrophobicContact CD2-CE2 4.21Å; F145-F223 AromaticContact CD2-CZ 3.95Å; F145-F223 HydrophobicContact CD2-CZ 3.95Å; F145-F223 HydrophobicContact CG-CE1 4.31Å; F145-F223 HydrophobicContact CG-CZ 4.43Å
146	L	95.7	Very high	94.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-62.9	179	-79.5	64.7	0	0	0	111	L118 F122 I140 S144 F222 I234	L118-L146 WeakPolarHBondContact CD1-O 3.4Å; F122-L146 HydrophobicContact CE1-CD2 4.11Å; F122-L146 HydrophobicContact CZ-CB 4.17Å; F122-L146 HydrophobicContact CZ-CD2 4Å; F122-L146 HydrophobicContact CZ-CG 3.95Å; I140-L146 HydrophobicContact CD1-CD2 4.3Å; I140-L146 HydrophobicContact CD1-CG 4.41Å; I140-L146 HydrophobicContact CG2-CD1 4Å; I140-L146 HydrophobicContact CG2-CG 4.43Å; S144-L146 WeakPolarHBondContact O-CD1 3.25Å; L146-F222 HydrophobicContact CB-CB 4.41Å; L146-F222 PolarHBondContact N-O 3.43Å; L146-I234 HydrophobicContact CD2-CD1 4.16Å; L146-I234 HydrophobicContact CD2-CG2 4.08Å
147	F	97.2	Very high	93.7	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	175.2	-177.8	43.8	-102.6	0	0	0	109.4	L118 F122 L134 F145 L191 V195 F222 I234	L118-F147 HydrophobicContact CD1-CB 4.07Å; L118-F147 HydrophobicContact CD1-CD1 4.01Å; F122-F147 HydrophobicContact CD2-CE1 4.45Å; F122-F147 HydrophobicContact CE1-CE1 4.07Å; F122-F147 AromaticContact CE2-CD1 3.93Å; F122-F147 HydrophobicContact CE2-CD1 3.93Å; F122-F147 AromaticContact CE2-CE1 3.99Å; F122-F147 HydrophobicContact CE2-CE1 3.99Å; F122-F147 HydrophobicContact CZ-CD1 4.08Å; F122-F147 AromaticContact CZ-CE1 3.79Å; F122-F147 HydrophobicContact CZ-CE1 3.79Å; L134-F147 HydrophobicContact CD2-CE1 3.54Å; L134-F147 HydrophobicContact CD2-CE2 4.49Å; L134-F147 HydrophobicContact CD2-CZ 3.4Å; L134-F147 VanDerWaalsContact CD2-CZ 3.4Å; F145-F147 VanDerWaalsContact CE2-C 3.43Å; F145-F147 WeakPolarHBondContact CE2-O 3.25Å; F147-L191 HydrophobicContact CB-CD2 4.16Å; F147-L191 HydrophobicContact CD1-CD1 3.72Å; F147-L191 HydrophobicContact CD1-CD2 4.02Å; F147-L191 HydrophobicContact CD1-CG 3.94Å; F147-L191 HydrophobicContact CD2-CD2 4.48Å; F147-L191 HydrophobicContact CE1-CD1 3.81Å; F147-L191 HydrophobicContact CE1-CG 4.06Å; F147-L191 HydrophobicContact CG-CD1 4.47Å; F147-L191 HydrophobicContact CG-CD2 3.95Å; F147-L191 HydrophobicContact CG-CG 4.24Å; F147-L191 HydrophobicContact CZ-CG 4.46Å; F147-V195 HydrophobicContact CE2-CG2 3.94Å; F147-V195 HydrophobicContact CZ-CG2 3.69Å; F147-F222 HydrophobicContact CD2-CB 4.19Å; F147-F222 HydrophobicContact CD2-CD2 4.35Å; F147-F222 HydrophobicContact CD2-CG 4.2Å; F147-F222 HydrophobicContact CE2-CB 3.99Å; F147-F222 AromaticContact CE2-CD1 3.94Å; F147-F222 HydrophobicContact CE2-CD1 3.94Å; F147-F222 HydrophobicContact CE2-CD2 4.2Å; F147-F222 AromaticContact CE2-CG 3.77Å; F147-F222 HydrophobicContact CE2-CG 3.77Å; F147-F222 PolarHBondContact O-N 2.97Å; F147-I234 HydrophobicContact CZ-CG2 4.37Å
148	H	95.7	Very high	93.1	Very high	28 Å²	28	39.4 Å²	39.4	13%	0.13	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	160.1	170.5	66.3	-91.1	0	0	0	111.7	T35 A150 N190 I220	T35-H148 PolarHBondContact O-CE1 3.19Å; T35-H148 PolarHBondContact O-NE2 3.28Å; T35-H148 VanDerWaalsContact O-NE2 3.08Å; H148-A150 PolarHBondContact O-N 2.99Å; H148-N190 PolarHBondContact O-ND2 2.81Å; H148-I220 CarbonylContact C-O 3.57Å; H148-I220 WeakPolarHBondContact CA-O 3.35Å; H148-I220 WeakPolarHBondContact CB-O 3.5Å
149	Y	97	Very high	92.4	Very high	15 Å²	15	37 Å²	37	6%	0.059	18%	0.183	C	C	.	.			trans	-74.7	108.6	172.8	-155.5	-93.9	0	0	0	109.7	Y167 F169 I183 A185 S192 I220 F222	Y149-Y167 PolarHBondContact OH-O 3.43Å; Y149-Y167 VanDerWaalsContact OH-O 3.04Å; Y149-F169 HydrophobicContact CD1-CB 3.87Å; Y149-F169 HydrophobicContact CD1-CD2 4.41Å; Y149-F169 HydrophobicContact CD1-CG 4.44Å; Y149-F169 AromaticContact CD2-CD2 3.97Å; Y149-F169 HydrophobicContact CD2-CD2 3.97Å; Y149-F169 HydrophobicContact CE1-CB 3.8Å; Y149-F169 HydrophobicContact CE2-CD2 4.12Å; Y149-F169 HydrophobicContact CG-CB 4.41Å; Y149-F169 HydrophobicContact CG-CD2 4.14Å; Y149-I183 HydrophobicContact CD1-CB 4.05Å; Y149-I183 HydrophobicContact CD1-CG2 3.72Å; Y149-I183 HydrophobicContact CE1-CB 4.47Å; Y149-I183 HydrophobicContact CE1-CG2 4.15Å; Y149-A185 HydrophobicContact CE1-CB 3.61Å; Y149-S192 WeakPolarHBondContact CA-OG 2.97Å; Y149-S192 WeakPolarHBondContact CD2-OG 3.15Å; Y149-S192 WeakPolarHBondContact CE2-OG 3.43Å; Y149-I220 PolarHBondContact N-O 3.1Å; Y149-F222 AromaticContact CD2-CE2 3.95Å; Y149-F222 HydrophobicContact CD2-CE2 3.95Å; Y149-F222 AromaticContact CD2-CZ 3.91Å; Y149-F222 HydrophobicContact CD2-CZ 3.91Å; Y149-F222 HydrophobicContact CG-CE2 4.44Å
150	A	97.4	Very high	91.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.			trans	-99.5	143	178.7	0	0	0	0	0	110.5	T34 H148 G189 N190	T34-A150 HydrophobicContact CG2-CB 4.24Å; T34-A150 WeakPolarHBondContact O-CB 3.29Å; H148-A150 PolarHBondContact O-N 2.99Å; A150-G189 VanDerWaalsContact O-CA 3.23Å; A150-G189 WeakPolarHBondContact O-CA 3.34Å; A150-N190 HydrophobicContact CB-CB 3.87Å; A150-N190 VanDerWaalsContact CB-CG 3.47Å; A150-N190 PolarHBondContact N-OD1 3.27Å
151	G	97.1	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	175.1	-162	176.1	0	0	0	0	0	111.5	V37 L38 Y188	V37-G151 CarbonylContact C-O 3.51Å; V37-G151 WeakPolarHBondContact CA-O 3.31Å; L38-G151 PolarHBondContact N-O 2.69Å; G151-Y188 WeakPolarHBondContact CA-O 3.34Å
152	K	95.4	Very high	90.3	Very high	74 Å²	74	44.2 Å²	44.2	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130	173.5	-73.8	172.7	169.8	159.8	0	110.3	L38 V154 I183 D184 S187 Y188	L38-K152 HydrophobicContact CB-CG 4.45Å; L38-K152 HydrophobicContact CD1-CG 4.43Å; K152-V154 HydrophobicContact CB-CG2 4.45Å; K152-I183 CarbonylContact O-C 3.56Å; K152-I183 VanDerWaalsContact O-CA 3.29Å; K152-I183 WeakPolarHBondContact O-CA 3.42Å; K152-D184 PolarHBondContact N-O 2.74Å; K152-D184 PolarHBondContact O-N 3.48Å; K152-S187 PolarHBondContact NZ-OG 2.92Å; K152-Y188 HydrophobicContact CD-CD2 4.08Å; K152-Y188 HydrophobicContact CG-CD2 4.29Å
153	F	93.4	Very high	89.8	Confident	10 Å²	10	46.7 Å²	46.7	4%	0.044	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.5	164.4	178.5	-96.6	0	0	0	109.3	V37 L38 I39 A43 E155 S181 F182 R216 F217	V37-F153 HydrophobicContact CG1-CB 3.97Å; L38-F153 PolarHBondContact O-N 2.83Å; I39-F153 HydrophobicContact CB-CB 4.3Å; I39-F153 HydrophobicContact CG1-CB 3.82Å; I39-F153 HydrophobicContact CG1-CG 4.27Å; I39-F153 HydrophobicContact CG2-CB 4.34Å; I39-F153 HydrophobicContact CG2-CD1 4.03Å; I39-F153 HydrophobicContact CG2-CG 4.29Å; A43-F153 HydrophobicContact CB-CD1 4.34Å; A43-F153 HydrophobicContact CB-CE1 4.07Å; F153-E155 HydrophobicContact CD1-CG 4.4Å; F153-E155 HydrophobicContact CE1-CG 3.48Å; F153-E155 VanDerWaalsContact CE1-CG 3.48Å; F153-E155 HydrophobicContact CZ-CG 4.04Å; F153-S181 VanDerWaalsContact CE2-CB 3.42Å; F153-F182 CarbonylContact C-O 3.54Å; F153-F182 WeakPolarHBondContact CA-O 3.32Å; F153-R216 HydrophobicContact CE2-CB 4.48Å; F153-R216 WeakPolarHBondContact CE2-O 3.47Å; F153-R216 HydrophobicContact CZ-CB 4.44Å; F153-F217 HydrophobicContact CD1-CE1 4.25Å; F153-F217 HydrophobicContact CD2-CD1 4.36Å; F153-F217 HydrophobicContact CE1-CD1 4.39Å; F153-F217 AromaticContact CE1-CE1 3.7Å; F153-F217 HydrophobicContact CE1-CE1 3.7Å; F153-F217 HydrophobicContact CE1-CZ 4.36Å; F153-F217 AromaticContact CE2-CD1 3.98Å; F153-F217 HydrophobicContact CE2-CD1 3.98Å; F153-F217 HydrophobicContact CE2-CE1 4.08Å; F153-F217 AromaticContact CZ-CD1 3.99Å; F153-F217 HydrophobicContact CZ-CD1 3.99Å; F153-F217 AromaticContact CZ-CE1 3.61Å; F153-F217 HydrophobicContact CZ-CE1 3.61Å; F153-F217 HydrophobicContact CZ-CZ 4.2Å
154	V	90.3	Very high	89.5	Confident	22 Å²	22	44.3 Å²	44.3	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.4	178	-173.2	0	0	0	0	107.9	K152 E158 I159 F182 D184	K152-V154 HydrophobicContact CB-CG2 4.45Å; V154-E158 HydrophobicContact CG1-CB 3.84Å; V154-I159 HydrophobicContact CG1-CB 3.86Å; V154-F182 HydrophobicContact CB-CB 4.25Å; V154-F182 PolarHBondContact N-O 3.05Å; V154-F182 PolarHBondContact O-N 3.2Å; V154-D184 HydrophobicContact CG2-CB 4.12Å
155	E	87.1	Confident	89.3	Confident	32 Å²	32	45.9 Å²	45.9	15%	0.15	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	152.2	173.5	-64.2	-168.6	-147	0	0	110.3	A43 F153 Q157 E158 I159 R216	A43-E155 WeakPolarHBondContact CB-OE1 3.34Å; F153-E155 HydrophobicContact CD1-CG 4.4Å; F153-E155 HydrophobicContact CE1-CG 3.48Å; F153-E155 VanDerWaalsContact CE1-CG 3.48Å; F153-E155 HydrophobicContact CZ-CG 4.04Å; E155-Q157 PolarHBondContact O-N 2.74Å; E155-Q157 VanDerWaalsContact O-N 3.09Å; E155-E158 HydrophobicContact CB-CG 4.18Å; E155-E158 PolarHBondContact N-OE2 2.78Å; E155-E158 VanDerWaalsContact N-OE2 3.16Å; E155-E158 WeakPolarHBondContact O-CB 3.35Å; E155-E158 PolarHBondContact O-N 2.82Å; E155-I159 PolarHBondContact O-N 2.8Å; E155-R216 IonicContact OE2-NH1 3.91Å; E155-R216 PolarHBondContact OE2-NH1 2.89Å
156	E	83.3	Confident	89.1	Confident	54 Å²	54	49 Å²	49	25%	0.252	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-46.9	-42.7	176.4	165.6	-173.7	-162.5	0	0	112.9	E158 I159 Y180	E156-E158 PolarHBondContact O-N 2.84Å; E156-I159 PolarHBondContact O-N 3.16Å; E156-Y180 HydrophobicContact CB-CD2 3.94Å; E156-Y180 HydrophobicContact CB-CE1 4.43Å; E156-Y180 HydrophobicContact CB-CE2 3.7Å; E156-Y180 HydrophobicContact CB-CG 4.45Å; E156-Y180 HydrophobicContact CG-CD2 4.19Å; E156-Y180 HydrophobicContact CG-CE1 3.87Å; E156-Y180 HydrophobicContact CG-CE2 3.46Å; E156-Y180 VanDerWaalsContact CG-CE2 3.46Å; E156-Y180 VanDerWaalsContact CG-OH 3.28Å; E156-Y180 WeakPolarHBondContact CG-OH 3.49Å; E156-Y180 WeakPolarHBondContact OE1-CE1 3.22Å; E156-Y180 PolarHBondContact OE1-OH 2.93Å
157	Q	82.4	Confident	88.9	Confident	147 Å²	147	51.9 Å²	51.9	69%	0.687	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15	-174.8	-60.3	131.9	33.9	0	0	112.9	E155	E155-Q157 PolarHBondContact O-N 2.74Å; E155-Q157 VanDerWaalsContact O-N 3.09Å
158	E	84.2	Confident	88.7	Confident	86 Å²	86	52.9 Å²	52.9	40%	0.402	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-96.1	-15.4	-177.4	-63	-177	127.9	0	0	113	R40 V154 E155 E156	R40-E158 IonicContact CZ-OE1 3.8Å; R40-E158 IonicContact NH1-OE1 2.75Å; R40-E158 PolarHBondContact NH1-OE1 2.97Å; V154-E158 HydrophobicContact CG1-CB 3.84Å; E155-E158 HydrophobicContact CB-CG 4.18Å; E155-E158 PolarHBondContact N-OE2 2.78Å; E155-E158 VanDerWaalsContact N-OE2 3.16Å; E155-E158 WeakPolarHBondContact O-CB 3.35Å; E155-E158 PolarHBondContact O-N 2.82Å; E156-E158 PolarHBondContact O-N 2.84Å
159	I	83.8	Confident	88.5	Confident	29 Å²	29	53 Å²	53	15%	0.149	27%	0.273	C	S	.	.			trans	-97	119.3	-179.2	-163.2	166.2	0	0	0	111.1	V154 E155 E156 D163 I164 V168 F182	V154-I159 HydrophobicContact CG1-CB 3.86Å; E155-I159 PolarHBondContact O-N 2.8Å; E156-I159 PolarHBondContact O-N 3.16Å; I159-D163 HydrophobicContact CG1-CB 4.06Å; I159-I164 HydrophobicContact CD1-CG1 3.96Å; I159-I164 HydrophobicContact CG1-CG1 4.18Å; I159-V168 HydrophobicContact CD1-CG1 4.12Å; I159-V168 HydrophobicContact CD1-CG2 4.24Å; I159-F182 HydrophobicContact CB-CD2 4.45Å; I159-F182 HydrophobicContact CD1-CD2 4.34Å; I159-F182 HydrophobicContact CD1-CG 4.28Å; I159-F182 HydrophobicContact CG2-CD2 3.65Å; I159-F182 HydrophobicContact CG2-CE2 3.37Å; I159-F182 HydrophobicContact CG2-CZ 4.09Å
160	A	84	Confident	88	Confident	40 Å²	40	56.4 Å²	56.4	33%	0.331	29%	0.29	S	S	.	.			trans	-79.9	153.5	170.2	0	0	0	0	0	110.3	E162 D163	A160-E162 HydrophobicContact CB-CG 3.82Å; A160-E162 PolarHBondContact O-N 3.17Å; A160-E162 VanDerWaalsContact O-N 3.1Å; A160-D163 WeakPolarHBondContact CB-OD2 3.35Å; A160-D163 PolarHBondContact N-OD2 2.59Å; A160-D163 WeakPolarHBondContact O-CB 3.41Å; A160-D163 PolarHBondContact O-N 3.17Å
161	A	80.3	Confident	87.4	Confident	67 Å²	67	56.5 Å²	56.5	55%	0.554	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.1	178.8	0	0	0	0	0	113.2	Y245	A161-Y245 PolarHBondContact O-OH 3.21Å
162	E	82.5	Confident	86.5	Confident	175 Å²	175	58 Å²	58	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.9	175.8	59	-173.5	-155.8	0	0	114	A160	A160-E162 HydrophobicContact CB-CG 3.82Å; A160-E162 PolarHBondContact O-N 3.17Å; A160-E162 VanDerWaalsContact O-N 3.1Å
163	D	82.6	Confident	85.1	Confident	88 Å²	88	54.9 Å²	54.9	47%	0.471	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.1	178.5	-65.5	-43.5	0	0	0	112.6	I159 A160 N165	I159-D163 HydrophobicContact CG1-CB 4.06Å; A160-D163 WeakPolarHBondContact CB-OD2 3.35Å; A160-D163 PolarHBondContact N-OD2 2.59Å; A160-D163 WeakPolarHBondContact O-CB 3.41Å; A160-D163 PolarHBondContact O-N 3.17Å; D163-N165 PolarHBondContact O-N 3.02Å; D163-N165 PolarHBondContact O-ND2 3.29Å
164	I	83.3	Confident	83.6	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.149	30%	0.298	C	S	.	.			trans	-66.5	109.3	178.2	-59.5	175.4	0	0	0	109.2	I159 Y245 F278	I159-I164 HydrophobicContact CD1-CG1 3.96Å; I159-I164 HydrophobicContact CG1-CG1 4.18Å; I164-Y245 HydrophobicContact CB-CE1 4.12Å; I164-Y245 HydrophobicContact CB-CE2 4.29Å; I164-Y245 WeakPolarHBondContact CB-OH 3.34Å; I164-Y245 HydrophobicContact CD1-CE2 4.13Å; I164-Y245 HydrophobicContact CG2-CD1 4.04Å; I164-Y245 HydrophobicContact CG2-CE1 3.49Å; I164-Y245 VanDerWaalsContact CG2-CE1 3.49Å; I164-Y245 HydrophobicContact CG2-CE2 4.08Å; I164-Y245 PolarHBondContact O-OH 2.75Å; I164-F278 HydrophobicContact CD1-CZ 4.27Å
165	N	88.2	Confident	82	Confident	41 Å²	41	61.4 Å²	61.4	22%	0.219	32%	0.322	C	S	.	.			trans	-120.4	-178.1	-175.4	68.4	75.5	0	0	0	111.5	D163 Y167 V168 D184	D163-N165 PolarHBondContact O-N 3.02Å; D163-N165 PolarHBondContact O-ND2 3.29Å; N165-Y167 PolarHBondContact O-N 3.45Å; N165-Y167 VanDerWaalsContact O-N 3.15Å; N165-Y167 WeakPolarHBondContact OD1-CA 3.32Å; N165-Y167 VanDerWaalsContact OD1-CB 3.27Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.2Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.06Å; N165-Y167 PolarHBondContact OD1-N 2.86Å; N165-V168 PolarHBondContact O-N 3.15Å; N165-D184 PolarHBondContact ND2-OD1 3.15Å
166	D	89.1	Confident	80.9	Confident	83 Å²	83	65.5 Å²	65.5	44%	0.444	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8	-177.6	-67.7	-50.4	0	0	0	114.8	Y242 K246	D166-Y242 PolarHBondContact OD1-OH 3.16Å; D166-K246 VanDerWaalsContact CG-NZ 3.28Å; D166-K246 WeakPolarHBondContact OD1-CE 3.44Å; D166-K246 IonicContact OD1-NZ 3.64Å; D166-K246 PolarHBondContact OD1-NZ 3.05Å; D166-K246 IonicContact OD2-NZ 3.27Å; D166-K246 PolarHBondContact OD2-NZ 3.04Å
167	Y	92.8	Very high	79.5	Confident	62 Å²	62	67.8 Å²	67.8	24%	0.243	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.6	-176.1	-52.9	-78.5	0	0	0	113.1	Y149 N165 A185 R193	Y149-Y167 PolarHBondContact OH-O 3.43Å; Y149-Y167 VanDerWaalsContact OH-O 3.04Å; N165-Y167 PolarHBondContact O-N 3.45Å; N165-Y167 VanDerWaalsContact O-N 3.15Å; N165-Y167 WeakPolarHBondContact OD1-CA 3.32Å; N165-Y167 VanDerWaalsContact OD1-CB 3.27Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.2Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.06Å; N165-Y167 PolarHBondContact OD1-N 2.86Å; Y167-A185 PolarHBondContact O-N 2.84Å; Y167-R193 HydrophobicContact CD1-CB 4.03Å; Y167-R193 HydrophobicContact CE1-CB 4.48Å; Y167-R193 VanDerWaalsContact CE1-CZ 3.48Å; Y167-R193 VanDerWaalsContact CE1-NH2 3.29Å; Y167-R193 VanDerWaalsContact CZ-NH2 3.31Å
168	V	91.9	Very high	78.3	Confident	28 Å²	28	63.6 Å²	63.6	17%	0.17	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122	177.4	174.4	0	0	0	0	109.8	I159 N165 F182 D184	I159-V168 HydrophobicContact CD1-CG1 4.12Å; I159-V168 HydrophobicContact CD1-CG2 4.24Å; N165-V168 PolarHBondContact O-N 3.15Å; V168-F182 HydrophobicContact CG1-CB 4.04Å; V168-F182 HydrophobicContact CG1-CD1 3.41Å; V168-F182 VanDerWaalsContact CG1-CD1 3.41Å; V168-F182 HydrophobicContact CG1-CE1 4.14Å; V168-F182 HydrophobicContact CG1-CG 4.02Å; V168-D184 HydrophobicContact CG2-CB 4.26Å
169	F	91.4	Very high	77.5	Confident	30 Å²	30	60.8 Å²	60.8	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121	173.8	-153.4	-65.1	0	0	0	110	L91 Y149 F182 I183 A205 I220 F222 I236	L91-F169 HydrophobicContact CD1-CE1 3.68Å; L91-F169 HydrophobicContact CD1-CZ 3.81Å; Y149-F169 HydrophobicContact CD1-CB 3.87Å; Y149-F169 HydrophobicContact CD1-CD2 4.41Å; Y149-F169 HydrophobicContact CD1-CG 4.44Å; Y149-F169 AromaticContact CD2-CD2 3.97Å; Y149-F169 HydrophobicContact CD2-CD2 3.97Å; Y149-F169 HydrophobicContact CE1-CB 3.8Å; Y149-F169 HydrophobicContact CE2-CD2 4.12Å; Y149-F169 HydrophobicContact CG-CB 4.41Å; Y149-F169 HydrophobicContact CG-CD2 4.14Å; F169-F182 CarbonylContact O-C 3.57Å; F169-F182 VanDerWaalsContact O-CA 3.28Å; F169-F182 WeakPolarHBondContact O-CA 3.38Å; F169-I183 PolarHBondContact N-O 2.73Å; F169-I183 PolarHBondContact O-N 2.91Å; F169-A205 HydrophobicContact CE2-CB 4.42Å; F169-A205 HydrophobicContact CZ-CB 3.91Å; F169-I220 HydrophobicContact CD1-CG1 3.91Å; F169-I220 HydrophobicContact CD1-CG2 4.18Å; F169-I220 HydrophobicContact CD2-CG2 4.39Å; F169-I220 HydrophobicContact CE1-CD1 4.31Å; F169-I220 HydrophobicContact CE1-CG1 4.04Å; F169-I220 HydrophobicContact CE1-CG2 3.74Å; F169-I220 HydrophobicContact CE2-CG2 3.96Å; F169-I220 HydrophobicContact CZ-CG2 3.62Å; F169-F222 HydrophobicContact CE2-CZ 4.27Å; F169-I236 HydrophobicContact CE2-CD1 4.01Å
170	M	88.1	Confident	77.2	Confident	87 Å²	87	60.4 Å²	60.4	43%	0.429	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.8	179.2	-174.1	177.7	67.3	0	0	111.5	F182	M170-F182 HydrophobicContact CB-CD1 3.99Å; M170-F182 HydrophobicContact CB-CE1 3.86Å; M170-F182 HydrophobicContact CG-CD1 4.22Å; M170-F182 HydrophobicContact CG-CE1 3.79Å; M170-F182 HydrophobicContact CG-CZ 4.45Å; M170-F182 HydrophobicContact SD-CE1 4.35Å
171	I	85.2	Confident	77.3	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.8	174.2	-50.8	-175.9	0	0	0	107.9	Y180 S181 I183 R207 S218 I220	I171-Y180 CarbonylContact O-C 3.53Å; I171-Y180 VanDerWaalsContact O-CA 3.23Å; I171-Y180 WeakPolarHBondContact O-CA 3.35Å; I171-Y180 WeakPolarHBondContact O-CB 3.48Å; I171-S181 PolarHBondContact N-O 2.94Å; I171-S181 PolarHBondContact O-N 2.69Å; I171-I183 HydrophobicContact CD1-CD1 3.75Å; I171-I183 HydrophobicContact CD1-CG1 3.85Å; I171-R207 HydrophobicContact CG2-CG 4.46Å; I171-S218 WeakPolarHBondContact CD1-O 3.44Å; I171-I220 HydrophobicContact CD1-CD1 4.17Å; I171-I220 HydrophobicContact CD1-CG1 4.06Å; I171-I220 HydrophobicContact CG1-CD1 3.95Å; I171-I220 HydrophobicContact CG1-CG1 4.02Å
172	S	76.9	Confident	77.8	Confident	30 Å²	30	55.8 Å²	55.8	21%	0.21	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.1	170	51.2	0	0	0	0	110.8	R207	S172-R207 PolarHBondContact O-NE 3.22Å; S172-R207 PolarHBondContact O-NH1 3.06Å
173	A	66.8	Low	78.4	Confident	10 Å²	10	47.5 Å²	47.5	8%	0.083	25%	0.253	C	S	.	.			trans	-95.9	138.9	167.4	0	0	0	0	0	109.6	E176 A179 Q215	A173-E176 CarbonylContact O-C 3.53Å; A173-A179 PolarHBondContact N-O 3.08Å; A173-Q215 HydrophobicContact CB-CB 4.04Å
174	E	61.9	Low	78.9	Confident	48 Å²	48	44.4 Å²	44.4	22%	0.224	24%	0.236	C	C	.	.	S	Bend	trans	-70	-44.9	-179.8	-81.6	162.1	-138.2	0	0	112.3	I72 T92 S93 T94 E176 R207	I72-E174 WeakPolarHBondContact CD1-OE2 3.39Å; T92-E174 WeakPolarHBondContact O-CG 3.3Å; S93-E174 WeakPolarHBondContact CA-OE1 3.36Å; T94-E174 PolarHBondContact N-OE1 2.95Å; E174-E176 PolarHBondContact O-N 3.43Å; E174-R207 IonicContact OE1-CZ 3.14Å; E174-R207 IonicContact OE1-NH2 3.86Å; E174-R207 PolarHBondContact OE1-NH2 2.77Å
175	N	57	Low	79.6	Confident	120 Å²	120	43 Å²	43	64%	0.642	23%	0.229	S	C	*	.	S	Bend	trans	-74.5	-10.2	-170.1	-64.3	-22.4	0	0	0	112.7	Q215	N175-Q215 PolarHBondContact ND2-NE2 3.06Å
176	E	62.2	Low	79.9	Confident	118 Å²	118	42.8 Å²	42.8	55%	0.551	23%	0.231	S	C	*	.			trans	-143.1	83	178.7	-69.9	-61.5	163.3	0	0	106.5	A173 E174 L178 A179	A173-E176 CarbonylContact O-C 3.53Å; E174-E176 PolarHBondContact O-N 3.43Å; E176-L178 PolarHBondContact O-N 2.88Å; E176-A179 HydrophobicContact CB-CB 3.47Å; E176-A179 VanDerWaalsContact CB-CB 3.47Å; E176-A179 HydrophobicContact CG-CB 4.43Å; E176-A179 WeakPolarHBondContact O-CA 3.37Å; E176-A179 PolarHBondContact O-N 3.19Å
177	P	55.6	Low	80.3	Confident	103 Å²	103	40.6 Å²	40.6	67%	0.669	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.5	-177.6	20.8	-31.6	0	0	0	113.4
178	L	57.1	Low	80.5	Confident	59 Å²	59	41.8 Å²	41.8	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.2	173.1	-60.8	177.1	0	0	0	113.5	E176 F281 N284 L288	E176-L178 PolarHBondContact O-N 2.88Å; L178-F281 HydrophobicContact CD2-CD1 4.24Å; L178-F281 HydrophobicContact CD2-CE1 4.45Å; L178-N284 HydrophobicContact CD1-CB 4.37Å; L178-N284 HydrophobicContact CD2-CB 4.23Å; L178-L288 HydrophobicContact CD1-CD1 4.23Å
179	A	67.2	Low	80.8	Confident	27 Å²	27	40.5 Å²	40.5	22%	0.223	22%	0.219	C	C	.	.			trans	-99	107.7	178.4	0	0	0	0	0	110.1	A173 E176	A173-A179 PolarHBondContact N-O 3.08Å; E176-A179 HydrophobicContact CB-CB 3.47Å; E176-A179 VanDerWaalsContact CB-CB 3.47Å; E176-A179 HydrophobicContact CG-CB 4.43Å; E176-A179 WeakPolarHBondContact O-CA 3.37Å; E176-A179 PolarHBondContact O-N 3.19Å
180	Y	76.7	Confident	81.1	Confident	20 Å²	20	39.1 Å²	39.1	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	162.8	170.3	54.1	-81.4	0	0	0	110.3	E156 I171 F182 F281	E156-Y180 HydrophobicContact CB-CD2 3.94Å; E156-Y180 HydrophobicContact CB-CE1 4.43Å; E156-Y180 HydrophobicContact CB-CE2 3.7Å; E156-Y180 HydrophobicContact CB-CG 4.45Å; E156-Y180 HydrophobicContact CG-CD2 4.19Å; E156-Y180 HydrophobicContact CG-CE1 3.87Å; E156-Y180 HydrophobicContact CG-CE2 3.46Å; E156-Y180 VanDerWaalsContact CG-CE2 3.46Å; E156-Y180 VanDerWaalsContact CG-OH 3.28Å; E156-Y180 WeakPolarHBondContact CG-OH 3.49Å; E156-Y180 WeakPolarHBondContact OE1-CE1 3.22Å; E156-Y180 PolarHBondContact OE1-OH 2.93Å; I171-Y180 CarbonylContact O-C 3.53Å; I171-Y180 VanDerWaalsContact O-CA 3.23Å; I171-Y180 WeakPolarHBondContact O-CA 3.35Å; I171-Y180 WeakPolarHBondContact O-CB 3.48Å; Y180-F182 HydrophobicContact CD2-CD2 4.36Å; Y180-F182 HydrophobicContact CD2-CE1 4.28Å; Y180-F182 AromaticContact CD2-CE2 3.38Å; Y180-F182 HydrophobicContact CD2-CE2 3.38Å; Y180-F182 AromaticContact CD2-CZ 3.36Å; Y180-F182 HydrophobicContact CD2-CZ 3.36Å; Y180-F182 AromaticContact CE2-CE2 3.42Å; Y180-F182 HydrophobicContact CE2-CE2 3.42Å; Y180-F182 VanDerWaalsContact CE2-CE2 3.42Å; Y180-F182 AromaticContact CE2-CZ 3.34Å; Y180-F182 HydrophobicContact CE2-CZ 3.34Å; Y180-F281 HydrophobicContact CD1-CD1 4.45Å; Y180-F281 AromaticContact CD1-CE1 3.91Å; Y180-F281 HydrophobicContact CD1-CE1 3.91Å; Y180-F281 AromaticContact CE1-CD1 3.61Å; Y180-F281 HydrophobicContact CE1-CD1 3.61Å; Y180-F281 AromaticContact CE1-CE1 3.47Å; Y180-F281 HydrophobicContact CE1-CE1 3.47Å; Y180-F281 VanDerWaalsContact CE1-CE1 3.47Å; Y180-F281 HydrophobicContact CE1-CZ 4.49Å
181	S	87.1	Confident	81.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	172.5	173.6	57.2	0	0	0	0	108.7	F153 I171 R216	F153-S181 VanDerWaalsContact CE2-CB 3.42Å; I171-S181 PolarHBondContact N-O 2.94Å; I171-S181 PolarHBondContact O-N 2.69Å; S181-R216 PolarHBondContact OG-O 3.43Å; S181-R216 VanDerWaalsContact OG-O 3.04Å
182	F	90.7	Very high	82.2	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.044	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.6	-176.4	-59.2	-86	0	0	0	111.1	F153 V154 I159 V168 F169 M170 Y180	F153-F182 CarbonylContact C-O 3.54Å; F153-F182 WeakPolarHBondContact CA-O 3.32Å; V154-F182 HydrophobicContact CB-CB 4.25Å; V154-F182 PolarHBondContact N-O 3.05Å; V154-F182 PolarHBondContact O-N 3.2Å; I159-F182 HydrophobicContact CB-CD2 4.45Å; I159-F182 HydrophobicContact CD1-CD2 4.34Å; I159-F182 HydrophobicContact CD1-CG 4.28Å; I159-F182 HydrophobicContact CG2-CD2 3.65Å; I159-F182 HydrophobicContact CG2-CE2 3.37Å; I159-F182 HydrophobicContact CG2-CZ 4.09Å; V168-F182 HydrophobicContact CG1-CB 4.04Å; V168-F182 HydrophobicContact CG1-CD1 3.41Å; V168-F182 VanDerWaalsContact CG1-CD1 3.41Å; V168-F182 HydrophobicContact CG1-CE1 4.14Å; V168-F182 HydrophobicContact CG1-CG 4.02Å; F169-F182 CarbonylContact O-C 3.57Å; F169-F182 VanDerWaalsContact O-CA 3.28Å; F169-F182 WeakPolarHBondContact O-CA 3.38Å; M170-F182 HydrophobicContact CB-CD1 3.99Å; M170-F182 HydrophobicContact CB-CE1 3.86Å; M170-F182 HydrophobicContact CG-CD1 4.22Å; M170-F182 HydrophobicContact CG-CE1 3.79Å; M170-F182 HydrophobicContact CG-CZ 4.45Å; M170-F182 HydrophobicContact SD-CE1 4.35Å; Y180-F182 HydrophobicContact CD2-CD2 4.36Å; Y180-F182 HydrophobicContact CD2-CE1 4.28Å; Y180-F182 AromaticContact CD2-CE2 3.38Å; Y180-F182 HydrophobicContact CD2-CE2 3.38Å; Y180-F182 AromaticContact CD2-CZ 3.36Å; Y180-F182 HydrophobicContact CD2-CZ 3.36Å; Y180-F182 AromaticContact CE2-CE2 3.42Å; Y180-F182 HydrophobicContact CE2-CE2 3.42Å; Y180-F182 VanDerWaalsContact CE2-CE2 3.42Å; Y180-F182 AromaticContact CE2-CZ 3.34Å; Y180-F182 HydrophobicContact CE2-CZ 3.34Å
183	I	93.7	Very high	83.2	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.9	160.8	-57.8	173.1	0	0	0	107.5	V37 Y149 K152 F169 I171 I220	V37-I183 HydrophobicContact CG1-CD1 4.36Å; V37-I183 HydrophobicContact CG1-CG1 4.29Å; V37-I183 HydrophobicContact CG2-CD1 3.83Å; Y149-I183 HydrophobicContact CD1-CB 4.05Å; Y149-I183 HydrophobicContact CD1-CG2 3.72Å; Y149-I183 HydrophobicContact CE1-CB 4.47Å; Y149-I183 HydrophobicContact CE1-CG2 4.15Å; K152-I183 CarbonylContact O-C 3.56Å; K152-I183 VanDerWaalsContact O-CA 3.29Å; K152-I183 WeakPolarHBondContact O-CA 3.42Å; F169-I183 PolarHBondContact N-O 2.73Å; F169-I183 PolarHBondContact O-N 2.91Å; I171-I183 HydrophobicContact CD1-CD1 3.75Å; I171-I183 HydrophobicContact CD1-CG1 3.85Å; I183-I220 HydrophobicContact CD1-CG1 4.21Å
184	D	95	Very high	84.7	Confident	23 Å²	23	33.8 Å²	33.8	12%	0.123	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.4	175.5	177	24.5	0	0	0	111	K152 V154 N165 V168 S186	K152-D184 PolarHBondContact N-O 2.74Å; K152-D184 PolarHBondContact O-N 3.48Å; V154-D184 HydrophobicContact CG2-CB 4.12Å; N165-D184 PolarHBondContact ND2-OD1 3.15Å; V168-D184 HydrophobicContact CG2-CB 4.26Å; D184-S186 WeakPolarHBondContact OD1-CB 3.38Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 2.75Å; D184-S186 PolarHBondContact OD2-OG 3.24Å
185	A	97.2	Very high	86.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.			trans	-95.4	13.3	178.2	0	0	0	0	0	114.4	Y149 Y167 Y188 R193	Y149-A185 HydrophobicContact CE1-CB 3.61Å; Y167-A185 PolarHBondContact O-N 2.84Å; A185-Y188 CarbonylContact C-O 3.52Å; A185-Y188 WeakPolarHBondContact CA-O 3.33Å; A185-R193 HydrophobicContact CB-CB 3.9Å; A185-R193 PolarHBondContact O-NE 3.19Å; A185-R193 PolarHBondContact O-NH2 2.98Å
186	S	95.2	Very high	88.4	Confident	37 Å²	37	27 Å²	27	26%	0.259	15%	0.147	S	C	.	.	S	Bend	trans	-62.8	-51.6	-178.2	67.3	0	0	0	0	112.3	D184 R193	D184-S186 WeakPolarHBondContact OD1-CB 3.38Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 2.75Å; D184-S186 PolarHBondContact OD2-OG 3.24Å; S186-R193 PolarHBondContact O-NH2 3.19Å
187	S	96.3	Very high	90	Very high	37 Å²	37	22.1 Å²	22.1	26%	0.259	12%	0.124	S	C	.	.	S	Bend	trans	-102.9	-30.5	-173.3	53.9	0	0	0	0	113.4	T32 K152	T32-S187 PolarHBondContact N-O 3.08Å; K152-S187 PolarHBondContact NZ-OG 2.92Å
188	Y	98	Very high	91.9	Very high	87 Å²	87	17.4 Å²	17.4	34%	0.341	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.3	175	-68.4	-107.2	0	0	0	107.5	T32 L38 G151 K152 A185	T32-Y188 HydrophobicContact CG2-CD1 3.81Å; T32-Y188 HydrophobicContact CG2-CE1 3.8Å; T32-Y188 VanDerWaalsContact O-CA 3.25Å; T32-Y188 WeakPolarHBondContact O-CA 3.29Å; L38-Y188 HydrophobicContact CD1-CD1 3.41Å; L38-Y188 VanDerWaalsContact CD1-CD1 3.41Å; L38-Y188 HydrophobicContact CD1-CE1 4.12Å; L38-Y188 HydrophobicContact CD1-CG 3.66Å; G151-Y188 WeakPolarHBondContact CA-O 3.34Å; K152-Y188 HydrophobicContact CD-CD2 4.08Å; K152-Y188 HydrophobicContact CG-CD2 4.29Å; A185-Y188 CarbonylContact C-O 3.52Å; A185-Y188 WeakPolarHBondContact CA-O 3.33Å
189	G	98	Very high	93.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	170.8	174.2	0	0	0	0	0	112.4	T32 Y33 T34 A150	T32-G189 PolarHBondContact O-N 2.92Å; T32-G189 VanDerWaalsContact O-N 3.09Å; Y33-G189 CarbonylContact C-O 3.58Å; Y33-G189 VanDerWaalsContact CA-O 3.23Å; Y33-G189 WeakPolarHBondContact CA-O 3.13Å; T34-G189 PolarHBondContact N-O 2.92Å; A150-G189 VanDerWaalsContact O-CA 3.23Å; A150-G189 WeakPolarHBondContact O-CA 3.34Å
190	N	98.2	Very high	95	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.09	C	C	.	.			trans	-101.7	-163.6	172.4	64.8	-4.1	0	0	0	111	Y33 T34 H148 A150 S192 R193	Y33-N190 HydrophobicContact CE1-CB 3.86Å; Y33-N190 HydrophobicContact CE2-CB 4.27Å; T34-N190 WeakPolarHBondContact O-CB 3.49Å; T34-N190 PolarHBondContact O-N 3.33Å; H148-N190 PolarHBondContact O-ND2 2.81Å; A150-N190 HydrophobicContact CB-CB 3.87Å; A150-N190 VanDerWaalsContact CB-CG 3.47Å; A150-N190 PolarHBondContact N-OD1 3.27Å; N190-S192 PolarHBondContact O-N 3.22Å; N190-S192 VanDerWaalsContact O-N 3.16Å; N190-S192 WeakPolarHBondContact OD1-CB 3.4Å; N190-S192 PolarHBondContact OD1-N 3.35Å; N190-S192 PolarHBondContact OD1-OG 3.12Å; N190-R193 WeakPolarHBondContact O-CD 3.08Å; N190-R193 WeakPolarHBondContact O-CG 3.21Å; N190-R193 PolarHBondContact O-N 3.23Å
191	L	98.3	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-55.7	-24.3	174.9	76.1	167.8	0	0	0	114.7	V17 Y33 L118 F122 L134 F147 R193 F194	V17-L191 HydrophobicContact CG1-CB 4.2Å; V17-L191 HydrophobicContact CG2-CB 4.47Å; V17-L191 HydrophobicContact CG2-CD1 4.27Å; Y33-L191 WeakPolarHBondContact OH-CD2 3.43Å; Y33-L191 PolarHBondContact OH-N 3.12Å; L118-L191 HydrophobicContact CD1-CD1 4.25Å; L118-L191 HydrophobicContact CD1-CD2 4.49Å; L118-L191 HydrophobicContact CD2-CD1 4.15Å; L118-L191 HydrophobicContact CD2-CD2 4.37Å; F122-L191 HydrophobicContact CB-CD1 4.01Å; F122-L191 HydrophobicContact CD2-CD1 3.55Å; F122-L191 HydrophobicContact CE2-CD1 4.23Å; F122-L191 HydrophobicContact CG-CD1 3.87Å; L134-L191 HydrophobicContact CD1-CB 4.06Å; L134-L191 HydrophobicContact CD1-CD1 4.14Å; L134-L191 HydrophobicContact CD1-CG 4.46Å; L134-L191 HydrophobicContact CD2-CB 4.48Å; L134-L191 HydrophobicContact CD2-CD1 3.99Å; L134-L191 HydrophobicContact CD2-CG 4.15Å; F147-L191 HydrophobicContact CB-CD2 4.16Å; F147-L191 HydrophobicContact CD1-CD1 3.72Å; F147-L191 HydrophobicContact CD1-CD2 4.02Å; F147-L191 HydrophobicContact CD1-CG 3.94Å; F147-L191 HydrophobicContact CD2-CD2 4.48Å; F147-L191 HydrophobicContact CE1-CD1 3.81Å; F147-L191 HydrophobicContact CE1-CG 4.06Å; F147-L191 HydrophobicContact CG-CD1 4.47Å; F147-L191 HydrophobicContact CG-CD2 3.95Å; F147-L191 HydrophobicContact CG-CG 4.24Å; F147-L191 HydrophobicContact CZ-CG 4.46Å; L191-R193 PolarHBondContact O-N 3.42Å; L191-F194 WeakPolarHBondContact O-CD2 3.09Å; L191-F194 PolarHBondContact O-N 2.53Å; L191-F194 VanDerWaalsContact O-N 3.13Å
192	S	98.2	Very high	96.5	Very high	1 Å²	1	17 Å²	17	1%	0.007	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27	-176.2	77.8	0	0	0	0	113	Y149 N190 F194 V195	Y149-S192 WeakPolarHBondContact CA-OG 2.97Å; Y149-S192 WeakPolarHBondContact CD2-OG 3.15Å; Y149-S192 WeakPolarHBondContact CE2-OG 3.43Å; N190-S192 PolarHBondContact O-N 3.22Å; N190-S192 VanDerWaalsContact O-N 3.16Å; N190-S192 WeakPolarHBondContact OD1-CB 3.4Å; N190-S192 PolarHBondContact OD1-N 3.35Å; N190-S192 PolarHBondContact OD1-OG 3.12Å; S192-F194 PolarHBondContact O-N 2.87Å; S192-F194 VanDerWaalsContact O-N 3.08Å; S192-V195 WeakPolarHBondContact O-CB 3.23Å; S192-V195 WeakPolarHBondContact O-CG2 3.26Å; S192-V195 PolarHBondContact O-N 3.27Å
193	R	97.7	Very high	96.7	Very high	12 Å²	12	16.5 Å²	16.5	5%	0.045	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-63.6	-12.8	179	77.4	-171.1	-63.8	-66.6	-1.2	113.4	Y167 A185 S186 N190 L191	Y167-R193 HydrophobicContact CD1-CB 4.03Å; Y167-R193 HydrophobicContact CE1-CB 4.48Å; Y167-R193 VanDerWaalsContact CE1-CZ 3.48Å; Y167-R193 VanDerWaalsContact CE1-NH2 3.29Å; Y167-R193 VanDerWaalsContact CZ-NH2 3.31Å; A185-R193 HydrophobicContact CB-CB 3.9Å; A185-R193 PolarHBondContact O-NE 3.19Å; A185-R193 PolarHBondContact O-NH2 2.98Å; S186-R193 PolarHBondContact O-NH2 3.19Å; N190-R193 WeakPolarHBondContact O-CD 3.08Å; N190-R193 WeakPolarHBondContact O-CG 3.21Å; N190-R193 PolarHBondContact O-N 3.23Å; L191-R193 PolarHBondContact O-N 3.42Å
194	F	98.2	Very high	96.6	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.022	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-101.9	0.1	177.7	-56.2	-69.3	0	0	0	113.1	I8 L28 F31 V124 W132 G133 L134 L191 S192 N196	I8-F194 HydrophobicContact CD1-CD2 4.23Å; I8-F194 HydrophobicContact CD1-CE2 3.61Å; I8-F194 HydrophobicContact CD1-CZ 4.4Å; L28-F194 HydrophobicContact CD1-CZ 4.08Å; L28-F194 HydrophobicContact CD2-CE1 3.66Å; L28-F194 HydrophobicContact CD2-CZ 3.91Å; F31-F194 AromaticContact CE1-CZ 3.9Å; F31-F194 HydrophobicContact CE1-CZ 3.9Å; F31-F194 HydrophobicContact CZ-CE2 4.02Å; F31-F194 AromaticContact CZ-CZ 3.86Å; F31-F194 HydrophobicContact CZ-CZ 3.86Å; V124-F194 HydrophobicContact CG1-CB 4.42Å; V124-F194 HydrophobicContact CG1-CD1 4.1Å; V124-F194 HydrophobicContact CG1-CD2 4.38Å; V124-F194 HydrophobicContact CG1-CE1 4.47Å; V124-F194 HydrophobicContact CG1-CG 4.04Å; V124-F194 HydrophobicContact CG2-CB 4.29Å; V124-F194 HydrophobicContact CG2-CD2 3.69Å; V124-F194 HydrophobicContact CG2-CE2 4.22Å; V124-F194 HydrophobicContact CG2-CG 4.02Å; W132-F194 HydrophobicContact CB-CD1 3.74Å; W132-F194 HydrophobicContact CB-CE1 4.21Å; G133-F194 CarbonylContact C-O 3.55Å; G133-F194 VanDerWaalsContact CA-O 3.26Å; G133-F194 WeakPolarHBondContact CA-O 3.27Å; L134-F194 HydrophobicContact CB-CB 4.2Å; L134-F194 PolarHBondContact N-O 2.89Å; L191-F194 WeakPolarHBondContact O-CD2 3.09Å; L191-F194 PolarHBondContact O-N 2.53Å; L191-F194 VanDerWaalsContact O-N 3.13Å; S192-F194 PolarHBondContact O-N 2.87Å; S192-F194 VanDerWaalsContact O-N 3.08Å; F194-N196 PolarHBondContact O-N 3.39Å
195	V	98.2	Very high	96.4	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.024	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-69.9	124.2	172.8	177.3	0	0	0	0	108	L134 F147 S192 F222 I234 I236 Y238	L134-V195 HydrophobicContact CB-CG2 4.32Å; L134-V195 HydrophobicContact CD2-CG2 3.79Å; F147-V195 HydrophobicContact CE2-CG2 3.94Å; F147-V195 HydrophobicContact CZ-CG2 3.69Å; S192-V195 WeakPolarHBondContact O-CB 3.23Å; S192-V195 WeakPolarHBondContact O-CG2 3.26Å; S192-V195 PolarHBondContact O-N 3.27Å; V195-F222 HydrophobicContact CB-CE1 4.09Å; V195-F222 HydrophobicContact CG1-CD1 4.4Å; V195-F222 HydrophobicContact CG1-CE1 3.87Å; V195-F222 HydrophobicContact CG2-CD1 4.33Å; V195-F222 HydrophobicContact CG2-CE1 4.07Å; V195-I234 HydrophobicContact CG1-CG2 4.08Å; V195-I234 WeakPolarHBondContact CG1-O 3.48Å; V195-I234 HydrophobicContact CG2-CB 4.44Å; V195-I234 HydrophobicContact CG2-CG2 3.92Å; V195-I236 HydrophobicContact CG1-CG1 3.96Å; V195-I236 HydrophobicContact CG1-CG2 4.2Å; V195-Y238 PolarHBondContact O-OH 2.85Å
196	N	97.4	Very high	95.9	Very high	23 Å²	23	16.3 Å²	16.3	12%	0.123	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	167.5	-179	-82.2	-45.2	0	0	0	112.6	W132 G133 F194 E233 T235 I236 Y238	W132-N196 PolarHBondContact O-ND2 3.48Å; W132-N196 PolarHBondContact O-OD1 3.31Å; G133-N196 WeakPolarHBondContact CA-ND2 3.45Å; F194-N196 PolarHBondContact O-N 3.39Å; N196-E233 WeakPolarHBondContact CB-OE1 2.87Å; N196-E233 PolarHBondContact ND2-OE1 3.29Å; N196-T235 WeakPolarHBondContact O-CA 3.39Å; N196-T235 WeakPolarHBondContact O-CB 2.92Å; N196-I236 PolarHBondContact O-N 3.48Å; N196-I236 VanDerWaalsContact O-N 3.11Å; N196-Y238 WeakPolarHBondContact CA-OH 3.3Å
197	H	95.8	Very high	95.6	Very high	14 Å²	14	14.6 Å²	14.6	7%	0.065	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.8	169.6	177.3	73.5	0	0	0	113	C199 I236 D237 Y238 W243 C251 Y260	H197-C199 PolarHBondContact NE2-N 3.43Å; H197-C199 PolarHBondContact NE2-SG 3.15Å; H197-I236 CarbonylContact C-O 3.35Å; H197-I236 VanDerWaalsContact CA-O 3.29Å; H197-I236 WeakPolarHBondContact CA-O 3.3Å; H197-I236 PolarHBondContact ND1-O 3.17Å; H197-D237 IonicContact CE1-OD1 2.72Å; H197-D237 PolarHBondContact CE1-OD1 3.34Å; H197-D237 IonicContact ND1-OD1 2.68Å; H197-Y238 HydrophobicContact CB-CD1 3.84Å; H197-Y238 HydrophobicContact CB-CD2 3.71Å; H197-Y238 HydrophobicContact CB-CE1 4Å; H197-Y238 HydrophobicContact CB-CE2 3.89Å; H197-Y238 HydrophobicContact CB-CG 3.68Å; H197-Y238 AromaticContact ND1-CG 3.91Å; H197-Y238 PolarHBondContact ND1-N 3.3Å; H197-W243 HydrophobicContact CB-CZ2 4.06Å; H197-W243 AromaticContact CD2-CE2 3.87Å; H197-W243 AromaticContact CD2-CZ2 3.32Å; H197-W243 WeakPolarHBondContact CD2-CZ2 3.45Å; H197-W243 AromaticContact CD2-NE1 3.87Å; H197-W243 AromaticContact CE1-NE1 3.43Å; H197-W243 PolarHBondContact CE1-NE1 3.46Å; H197-W243 AromaticContact CG-CZ2 3.6Å; H197-W243 AromaticContact CG-NE1 3.88Å; H197-W243 AromaticContact ND1-NE1 3.63Å; H197-W243 AromaticContact NE2-CE2 3.92Å; H197-W243 AromaticContact NE2-CZ2 3.83Å; H197-W243 AromaticContact NE2-NE1 3.57Å; H197-C251 PolarHBondContact CD2-SG 3.47Å; H197-Y260 AromaticContact NE2-CD2 3.87Å
198	S	96	Very high	95.2	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.028	7%	0.067	C	C	.	.			trans	-136	142.6	157	-179	0	0	0	0	110.5	V200 P201 T235 I236 Q255	S198-V200 PolarHBondContact O-N 3.28Å; S198-V200 PolarHBondContact OG-N 3.43Å; S198-V200 VanDerWaalsContact OG-N 3.14Å; S198-V200 PolarHBondContact OG-O 2.86Å; S198-P201 WeakPolarHBondContact O-CD 3.35Å; S198-T235 WeakPolarHBondContact CB-OG1 3.08Å; S198-I236 PolarHBondContact N-O 3.34Å; S198-Q255 WeakPolarHBondContact OG-CG 3.28Å
199	C	94.7	Very high	94.8	Very high	13 Å²	13	9.1 Å²	9.1	9%	0.088	5%	0.053	C	C	.	.	S	Bend	trans	-72.8	-18	170.9	-60.5	0	0	0	0	112.4	H197 R259	H197-C199 PolarHBondContact NE2-N 3.43Å; H197-C199 PolarHBondContact NE2-SG 3.15Å; C199-R259 PolarHBondContact SG-N 2.81Å
200	V	95	Very high	94.2	Very high	62 Å²	62	10.4 Å²	10.4	38%	0.376	6%	0.062	S	C	.	.	S	Bend	trans	-122.4	78.4	169.2	-173.6	0	0	0	0	106.2	S198 Q255 E257	S198-V200 PolarHBondContact O-N 3.28Å; S198-V200 PolarHBondContact OG-N 3.43Å; S198-V200 VanDerWaalsContact OG-N 3.14Å; S198-V200 PolarHBondContact OG-O 2.86Å; V200-Q255 HydrophobicContact CB-CB 4.34Å; V200-Q255 HydrophobicContact CB-CG 3.84Å; V200-Q255 HydrophobicContact CG2-CB 3.85Å; V200-Q255 HydrophobicContact CG2-CG 3.94Å; V200-E257 HydrophobicContact CG2-CB 4.09Å
201	P	96.9	Very high	93.5	Very high	10 Å²	10	10.7 Å²	10.7	7%	0.065	7%	0.065	C	C	.	.			trans	-77.5	148.1	-174.7	33	-36.4	0	0	0	111.4	S198 C203 R225 T235 D237	S198-P201 WeakPolarHBondContact O-CD 3.35Å; P201-C203 WeakPolarHBondContact CB-O 3.42Å; P201-R225 WeakPolarHBondContact O-CD 3.38Å; P201-T235 WeakPolarHBondContact CB-O 3.28Å; P201-D237 HydrophobicContact CG-CB 4.28Å
202	N	96.9	Very high	92.9	Very high	12 Å²	12	12.5 Å²	12.5	6%	0.064	7%	0.073	C	C	.	.	S	Bend	trans	-90.1	-7.5	171.2	58.2	2.9	0	0	0	112.9	R225 Q226 I228 E233 T235	N202-R225 WeakPolarHBondContact O-CB 3.35Å; N202-R225 PolarHBondContact O-N 3.37Å; N202-Q226 HydrophobicContact CB-CG 4.08Å; N202-I228 HydrophobicContact CB-CD1 4.35Å; N202-I228 HydrophobicContact CB-CG1 4.28Å; N202-E233 PolarHBondContact ND2-O 2.81Å; N202-E233 PolarHBondContact OD1-O 3.4Å; N202-T235 PolarHBondContact N-OG1 3.08Å; N202-T235 PolarHBondContact OD1-N 3.46Å; N202-T235 PolarHBondContact OD1-O 2.78Å; N202-T235 PolarHBondContact OD1-OG1 3.01Å
203	C	95.7	Very high	92.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	164.7	174.7	-61	0	0	0	0	111.8	P201 F223 R225 T235 I236	P201-C203 WeakPolarHBondContact CB-O 3.42Å; C203-F223 CarbonylContact C-O 3.4Å; C203-F223 WeakPolarHBondContact CA-O 3.39Å; C203-F223 WeakPolarHBondContact CB-O 3.47Å; C203-R225 PolarHBondContact O-NE 3.26Å; C203-T235 WeakPolarHBondContact CB-O 3.47Å; C203-T235 PolarHBondContact N-O 2.87Å; C203-I236 HydrophobicContact CB-CG2 3.86Å
204	F	91.5	Very high	91.4	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.7	166.1	64.6	-76.4	0	0	0	110	V82 S86 I206 F222 F223 R225	V82-F204 HydrophobicContact CG1-CZ 4.46Å; V82-F204 HydrophobicContact CG2-CE1 4.33Å; V82-F204 HydrophobicContact CG2-CZ 3.82Å; S86-F204 WeakPolarHBondContact OG-CD2 3.42Å; F204-I206 HydrophobicContact CD2-CB 4.33Å; F204-I206 HydrophobicContact CE2-CB 4.17Å; F204-I206 HydrophobicContact CE2-CG2 4.28Å; F204-F222 WeakPolarHBondContact O-CA 3.35Å; F204-F223 HydrophobicContact CD1-CB 4.03Å; F204-F223 WeakPolarHBondContact CD1-O 3.43Å; F204-F223 HydrophobicContact CE1-CB 3.43Å; F204-F223 VanDerWaalsContact CE1-CB 3.43Å; F204-F223 HydrophobicContact CE1-CG 4.5Å; F204-F223 HydrophobicContact CE2-CB 4.11Å; F204-F223 HydrophobicContact CE2-CD2 4.4Å; F204-F223 HydrophobicContact CZ-CB 3.46Å; F204-F223 VanDerWaalsContact CZ-CB 3.46Å; F204-F223 HydrophobicContact CZ-CD2 4.4Å; F204-F223 HydrophobicContact CZ-CG 4.09Å; F204-F223 PolarHBondContact N-O 2.68Å; F204-F223 PolarHBondContact O-N 2.83Å; F204-R225 HydrophobicContact CB-CG 4.3Å; F204-R225 HydrophobicContact CD1-CG 3.58Å; F204-R225 HydrophobicContact CE1-CG 4.42Å; F204-R225 HydrophobicContact CG-CG 4.38Å
205	A	91.3	Very high	90.7	Very high	14 Å²	14	18.4 Å²	18.4	12%	0.116	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.8	169.7	0	0	0	0	0	108.8	L91 F169 I220 C221 F222	L91-A205 HydrophobicContact CD1-CB 4.31Å; L91-A205 WeakPolarHBondContact CD2-O 3.39Å; F169-A205 HydrophobicContact CE2-CB 4.42Å; F169-A205 HydrophobicContact CZ-CB 3.91Å; A205-I220 HydrophobicContact CB-CG2 3.78Å; A205-C221 CarbonylContact C-O 3.52Å; A205-C221 VanDerWaalsContact CA-O 3.3Å; A205-C221 WeakPolarHBondContact CA-O 3.5Å; A205-F222 HydrophobicContact CB-CE2 4.31Å; A205-F222 HydrophobicContact CB-CZ 4.5Å
206	I	87.2	Confident	90.1	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.3	173.5	-168.6	159.8	0	0	0	110.4	I75 T94 I96 F204 V208 C221 F223	I75-I206 HydrophobicContact CD1-CD1 3.99Å; I75-I206 HydrophobicContact CG2-CD1 4.49Å; T94-I206 HydrophobicContact CG2-CD1 4.28Å; I96-I206 HydrophobicContact CD1-CD1 4Å; I96-I206 HydrophobicContact CD1-CG2 4.04Å; I96-I206 HydrophobicContact CG1-CD1 3.8Å; I96-I206 HydrophobicContact CG1-CG1 4.31Å; F204-I206 HydrophobicContact CD2-CB 4.33Å; F204-I206 HydrophobicContact CE2-CB 4.17Å; F204-I206 HydrophobicContact CE2-CG2 4.28Å; I206-V208 HydrophobicContact CG2-CG2 4.26Å; I206-C221 HydrophobicContact CG2-CB 4.5Å; I206-C221 PolarHBondContact N-O 3.04Å; I206-C221 PolarHBondContact O-N 2.82Å; I206-F223 HydrophobicContact CG2-CD2 3.62Å; I206-F223 HydrophobicContact CG2-CE2 3.46Å; I206-F223 VanDerWaalsContact CG2-CE2 3.46Å
207	R	88.3	Confident	89.6	Confident	1 Å²	1	20 Å²	20	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.6	173.6	-71.6	-176.6	-63.9	133.8	15.1	109.7	L91 Y95 I96 I171 S172 E174 R219 I220	L91-R207 PolarHBondContact O-NE 3.14Å; L91-R207 VanDerWaalsContact O-NE 3.11Å; Y95-R207 CarbonylContact C-O 3.16Å; Y95-R207 VanDerWaalsContact CA-O 3.22Å; Y95-R207 WeakPolarHBondContact CA-O 3.02Å; Y95-R207 WeakPolarHBondContact CB-O 3.4Å; I96-R207 PolarHBondContact N-O 3Å; I171-R207 HydrophobicContact CG2-CG 4.46Å; S172-R207 PolarHBondContact O-NE 3.22Å; S172-R207 PolarHBondContact O-NH1 3.06Å; E174-R207 IonicContact OE1-CZ 3.14Å; E174-R207 IonicContact OE1-NH2 3.86Å; E174-R207 PolarHBondContact OE1-NH2 2.77Å; R207-R219 CarbonylContact C-O 3.58Å; R207-R219 WeakPolarHBondContact CA-O 3.22Å; R207-I220 HydrophobicContact CG-CD1 3.63Å
208	V	88.8	Confident	89.3	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.7	175.2	-172.1	0	0	0	0	110.4	I96 E98 T114 I206 R219 C221	I96-V208 HydrophobicContact CB-CG1 4.31Å; I96-V208 HydrophobicContact CB-CG2 4.16Å; I96-V208 HydrophobicContact CG2-CG1 4.47Å; I96-V208 CarbonylContact O-C 3.58Å; I96-V208 WeakPolarHBondContact O-CA 3.28Å; E98-V208 HydrophobicContact CB-CG1 4.46Å; E98-V208 HydrophobicContact CG-CG1 3.78Å; T114-V208 HydrophobicContact CG2-CG2 4.15Å; I206-V208 HydrophobicContact CG2-CG2 4.26Å; V208-R219 PolarHBondContact N-O 2.98Å; V208-R219 PolarHBondContact O-N 3.29Å; V208-C221 HydrophobicContact CG2-CB 3.64Å; V208-C221 VanDerWaalsContact CG2-SG 3.51Å
209	L	88.7	Confident	89.1	Confident	8 Å²	8	21.3 Å²	21.3	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.5	176.2	-162	65.7	0	0	0	109.6	Y95 I96 S97 E98 F212	Y95-L209 HydrophobicContact CD2-CB 4.16Å; Y95-L209 HydrophobicContact CE2-CD2 4.13Å; I96-L209 PolarHBondContact O-N 2.95Å; S97-L209 WeakPolarHBondContact CA-O 3.45Å; E98-L209 PolarHBondContact N-O 3.05Å; L209-F212 WeakPolarHBondContact CD1-O 3.35Å; L209-F212 VanDerWaalsContact CG-O 3.28Å; L209-F212 WeakPolarHBondContact CG-O 3.39Å
210	S	84.4	Confident	89	Confident	26 Å²	26	20.7 Å²	20.7	18%	0.182	11%	0.107	C	C	.	.	S	Bend	trans	-121.3	-80	175.5	52.4	0	0	0	0	109.8	R50 H100	R50-S210 PolarHBondContact NH1-O 3.35Å; H100-S210 PolarHBondContact CD2-O 2.88Å
211	G	83.9	Confident	88.9	Confident	8 Å²	8	17.8 Å²	17.8	8%	0.082	9%	0.089	C	C	.	.	S	Bend	trans	-96.8	-30.5	-171.2	0	0	0	0	0	117	F49 R50	F49-G211 CarbonylContact C-O 3.48Å; F49-G211 WeakPolarHBondContact CA-O 3.29Å; R50-G211 PolarHBondContact N-O 3.33Å
212	F	85.5	Confident	88.8	Confident	38 Å²	38	17.3 Å²	17.3	17%	0.167	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-87.7	143.3	-177.9	-63.8	-67.6	0	0	0	111.5	C44 S47 F49 R50 L209 F217	C44-F212 HydrophobicContact CB-CE1 4.47Å; C44-F212 HydrophobicContact CB-CZ 4.36Å; S47-F212 WeakPolarHBondContact OG-CD1 3.44Å; S47-F212 WeakPolarHBondContact OG-CE1 3.45Å; F49-F212 HydrophobicContact CD1-CD1 4.11Å; F49-F212 HydrophobicContact CD1-CE1 4.05Å; F49-F212 AromaticContact CE1-CD1 3.95Å; F49-F212 HydrophobicContact CE1-CD1 3.95Å; F49-F212 AromaticContact CE1-CE1 3.41Å; F49-F212 HydrophobicContact CE1-CE1 3.41Å; F49-F212 VanDerWaalsContact CE1-CE1 3.41Å; F49-F212 HydrophobicContact CE1-CZ 4.05Å; F49-F212 AromaticContact CZ-CE1 3.89Å; F49-F212 HydrophobicContact CZ-CE1 3.89Å; R50-F212 VanDerWaalsContact CD-O 3.22Å; R50-F212 WeakPolarHBondContact CD-O 3.15Å; R50-F212 WeakPolarHBondContact CG-O 3.45Å; L209-F212 WeakPolarHBondContact CD1-O 3.35Å; L209-F212 VanDerWaalsContact CG-O 3.28Å; L209-F212 WeakPolarHBondContact CG-O 3.39Å; F212-F217 HydrophobicContact CB-CB 3.99Å; F212-F217 HydrophobicContact CB-CD2 4.19Å; F212-F217 HydrophobicContact CB-CG 4.45Å; F212-F217 HydrophobicContact CD2-CB 3.55Å; F212-F217 HydrophobicContact CD2-CD2 4.47Å; F212-F217 HydrophobicContact CD2-CG 4.05Å; F212-F217 HydrophobicContact CE2-CB 4.31Å; F212-F217 HydrophobicContact CG-CB 3.95Å; F212-F217 HydrophobicContact CG-CD2 4.17Å; F212-F217 HydrophobicContact CG-CG 4.21Å
213	E	82.3	Confident	88.6	Confident	95 Å²	95	16.8 Å²	16.8	44%	0.444	8%	0.083	S	C	.	.	S	Bend	trans	-74.6	-34.5	169.3	-73.4	-175.4	169.4	0	0	110.9	R48 R50 Q215	R48-E213 HydrophobicContact CB-CB 4.2Å; R48-E213 HydrophobicContact CB-CG 4.17Å; R48-E213 WeakPolarHBondContact CB-OE2 3.1Å; R48-E213 WeakPolarHBondContact CD-OE2 3.18Å; R48-E213 PolarHBondContact O-N 2.87Å; R50-E213 HydrophobicContact CB-CG 4.35Å; R50-E213 HydrophobicContact CG-CB 4.3Å; R50-E213 HydrophobicContact CG-CG 3.59Å; E213-Q215 PolarHBondContact O-N 2.82Å
214	D	83.2	Confident	88.6	Confident	37 Å²	37	16.8 Å²	16.8	20%	0.198	8%	0.083	C	C	.	.	S	Bend	trans	-71.7	111	179.8	-178.2	-11.1	0	0	0	110.4	R216 F217	D214-R216 PolarHBondContact O-N 3.38Å; D214-R216 VanDerWaalsContact O-N 3.13Å; D214-R216 WeakPolarHBondContact OD1-CB 3.29Å; D214-R216 VanDerWaalsContact OD1-CG 3.22Å; D214-R216 WeakPolarHBondContact OD1-CG 3.48Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.66Å; D214-R216 PolarHBondContact OD1-NE 3.04Å; D214-R216 VanDerWaalsContact OD1-NE 3.14Å; D214-R216 IonicContact OD2-CZ 2.93Å; D214-R216 IonicContact OD2-NE 3.46Å; D214-R216 PolarHBondContact OD2-NE 2.89Å; D214-R216 IonicContact OD2-NH2 3.2Å; D214-R216 PolarHBondContact OD2-NH2 2.77Å; D214-F217 HydrophobicContact CB-CD2 3.79Å; D214-F217 HydrophobicContact CB-CE2 3.99Å; D214-F217 PolarHBondContact O-N 2.72Å; D214-F217 VanDerWaalsContact O-N 3.1Å; D214-F217 WeakPolarHBondContact OD2-CE2 3.21Å
215	Q	84	Confident	88.7	Confident	9 Å²	9	19.2 Å²	19.2	4%	0.042	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-63.3	-15.9	-177.1	-64.6	-177.2	11.5	0	0	113.3	Y95 A173 N175 E213 F217 S218	Y95-Q215 PolarHBondContact OH-NE2 2.77Å; A173-Q215 HydrophobicContact CB-CB 4.04Å; N175-Q215 PolarHBondContact ND2-NE2 3.06Å; E213-Q215 PolarHBondContact O-N 2.82Å; Q215-F217 PolarHBondContact O-N 2.99Å; Q215-S218 VanDerWaalsContact O-CB 3.24Å; Q215-S218 WeakPolarHBondContact O-CB 3.23Å; Q215-S218 PolarHBondContact O-N 2.61Å; Q215-S218 PolarHBondContact O-OG 2.69Å
216	R	84.6	Confident	88.7	Confident	44 Å²	44	23.2 Å²	23.2	17%	0.166	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-60.3	-30.7	173.1	-63.2	-179.2	-64	157.3	2.1	111.5	F153 E155 S181 D214 S218	F153-R216 HydrophobicContact CE2-CB 4.48Å; F153-R216 WeakPolarHBondContact CE2-O 3.47Å; F153-R216 HydrophobicContact CZ-CB 4.44Å; E155-R216 IonicContact OE2-NH1 3.91Å; E155-R216 PolarHBondContact OE2-NH1 2.89Å; S181-R216 PolarHBondContact OG-O 3.43Å; S181-R216 VanDerWaalsContact OG-O 3.04Å; D214-R216 PolarHBondContact O-N 3.38Å; D214-R216 VanDerWaalsContact O-N 3.13Å; D214-R216 WeakPolarHBondContact OD1-CB 3.29Å; D214-R216 VanDerWaalsContact OD1-CG 3.22Å; D214-R216 WeakPolarHBondContact OD1-CG 3.48Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.66Å; D214-R216 PolarHBondContact OD1-NE 3.04Å; D214-R216 VanDerWaalsContact OD1-NE 3.14Å; D214-R216 IonicContact OD2-CZ 2.93Å; D214-R216 IonicContact OD2-NE 3.46Å; D214-R216 PolarHBondContact OD2-NE 2.89Å; D214-R216 IonicContact OD2-NH2 3.2Å; D214-R216 PolarHBondContact OD2-NH2 2.77Å; R216-S218 PolarHBondContact O-N 2.82Å
217	F	87.5	Confident	89.2	Confident	16 Å²	16	27 Å²	27	7%	0.07	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-85.5	15.9	176.4	-57.1	-73	0	0	0	113.9	I39 A43 F153 F212 D214 Q215	I39-F217 HydrophobicContact CD1-CD1 3.89Å; I39-F217 HydrophobicContact CG2-CD1 4.15Å; I39-F217 HydrophobicContact CG2-CE1 3.75Å; A43-F217 HydrophobicContact CB-CE1 4.2Å; A43-F217 HydrophobicContact CB-CZ 4.3Å; A43-F217 WeakPolarHBondContact O-CZ 3.28Å; F153-F217 HydrophobicContact CD1-CE1 4.25Å; F153-F217 HydrophobicContact CD2-CD1 4.36Å; F153-F217 HydrophobicContact CE1-CD1 4.39Å; F153-F217 AromaticContact CE1-CE1 3.7Å; F153-F217 HydrophobicContact CE1-CE1 3.7Å; F153-F217 HydrophobicContact CE1-CZ 4.36Å; F153-F217 AromaticContact CE2-CD1 3.98Å; F153-F217 HydrophobicContact CE2-CD1 3.98Å; F153-F217 HydrophobicContact CE2-CE1 4.08Å; F153-F217 AromaticContact CZ-CD1 3.99Å; F153-F217 HydrophobicContact CZ-CD1 3.99Å; F153-F217 AromaticContact CZ-CE1 3.61Å; F153-F217 HydrophobicContact CZ-CE1 3.61Å; F153-F217 HydrophobicContact CZ-CZ 4.2Å; F212-F217 HydrophobicContact CB-CB 3.99Å; F212-F217 HydrophobicContact CB-CD2 4.19Å; F212-F217 HydrophobicContact CB-CG 4.45Å; F212-F217 HydrophobicContact CD2-CB 3.55Å; F212-F217 HydrophobicContact CD2-CD2 4.47Å; F212-F217 HydrophobicContact CD2-CG 4.05Å; F212-F217 HydrophobicContact CE2-CB 4.31Å; F212-F217 HydrophobicContact CG-CB 3.95Å; F212-F217 HydrophobicContact CG-CD2 4.17Å; F212-F217 HydrophobicContact CG-CG 4.21Å; D214-F217 HydrophobicContact CB-CD2 3.79Å; D214-F217 HydrophobicContact CB-CE2 3.99Å; D214-F217 PolarHBondContact O-N 2.72Å; D214-F217 VanDerWaalsContact O-N 3.1Å; D214-F217 WeakPolarHBondContact OD2-CE2 3.21Å; Q215-F217 PolarHBondContact O-N 2.99Å
218	S	88.7	Confident	89.7	Confident	4 Å²	4	27 Å²	27	3%	0.028	13%	0.129	C	C	.	.			trans	-61.2	140.2	174.1	-62.8	0	0	0	0	110.8	I171 Q215 R216	I171-S218 WeakPolarHBondContact CD1-O 3.44Å; Q215-S218 VanDerWaalsContact O-CB 3.24Å; Q215-S218 WeakPolarHBondContact O-CB 3.23Å; Q215-S218 PolarHBondContact O-N 2.61Å; Q215-S218 PolarHBondContact O-OG 2.69Å; R216-S218 PolarHBondContact O-N 2.82Å
219	R	91.7	Very high	90.1	Very high	42 Å²	42	31.2 Å²	31.2	16%	0.158	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.6	166.8	-66.9	179.4	-65.4	148.4	4.5	108.9	E98 T114 R207 V208	E98-R219 IonicContact OE2-NH2 3.82Å; E98-R219 PolarHBondContact OE2-NH2 2.81Å; E98-R219 VanDerWaalsContact OE2-NH2 3.08Å; T114-R219 PolarHBondContact O-NH1 2.94Å; T114-R219 PolarHBondContact OG1-NH2 3.47Å; R207-R219 CarbonylContact C-O 3.58Å; R207-R219 WeakPolarHBondContact CA-O 3.22Å; V208-R219 PolarHBondContact N-O 2.98Å; V208-R219 PolarHBondContact O-N 3.29Å
220	I	92.7	Very high	90.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109	170.8	-59.3	-50.4	0	0	0	108.1	H148 Y149 F169 I171 I183 A205 R207 F222	H148-I220 CarbonylContact C-O 3.57Å; H148-I220 WeakPolarHBondContact CA-O 3.35Å; H148-I220 WeakPolarHBondContact CB-O 3.5Å; Y149-I220 PolarHBondContact N-O 3.1Å; F169-I220 HydrophobicContact CD1-CG1 3.91Å; F169-I220 HydrophobicContact CD1-CG2 4.18Å; F169-I220 HydrophobicContact CD2-CG2 4.39Å; F169-I220 HydrophobicContact CE1-CD1 4.31Å; F169-I220 HydrophobicContact CE1-CG1 4.04Å; F169-I220 HydrophobicContact CE1-CG2 3.74Å; F169-I220 HydrophobicContact CE2-CG2 3.96Å; F169-I220 HydrophobicContact CZ-CG2 3.62Å; I171-I220 HydrophobicContact CD1-CD1 4.17Å; I171-I220 HydrophobicContact CD1-CG1 4.06Å; I171-I220 HydrophobicContact CG1-CD1 3.95Å; I171-I220 HydrophobicContact CG1-CG1 4.02Å; I183-I220 HydrophobicContact CD1-CG1 4.21Å; A205-I220 HydrophobicContact CB-CG2 3.78Å; R207-I220 HydrophobicContact CG-CD1 3.63Å; I220-F222 HydrophobicContact CG2-CE2 4.01Å
221	C	93.4	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.3	-175.3	-67	0	0	0	0	111.3	T114 F145 A205 I206 V208 F223	T114-C221 HydrophobicContact CG2-CB 3.99Å; F145-C221 HydrophobicContact CD2-CB 4.27Å; F145-C221 HydrophobicContact CE2-CB 3.86Å; A205-C221 CarbonylContact C-O 3.52Å; A205-C221 VanDerWaalsContact CA-O 3.3Å; A205-C221 WeakPolarHBondContact CA-O 3.5Å; I206-C221 HydrophobicContact CG2-CB 4.5Å; I206-C221 PolarHBondContact N-O 3.04Å; I206-C221 PolarHBondContact O-N 2.82Å; V208-C221 HydrophobicContact CG2-CB 3.64Å; V208-C221 VanDerWaalsContact CG2-SG 3.51Å; C221-F223 HydrophobicContact CB-CD2 4.37Å; C221-F223 HydrophobicContact CB-CE2 3.71Å
222	F	94.4	Very high	91.9	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.7	-177.5	-74.8	-122.4	0	0	0	109.3	L146 F147 Y149 F169 V195 F204 A205 I220 I236	L146-F222 HydrophobicContact CB-CB 4.41Å; L146-F222 PolarHBondContact N-O 3.43Å; F147-F222 HydrophobicContact CD2-CB 4.19Å; F147-F222 HydrophobicContact CD2-CD2 4.35Å; F147-F222 HydrophobicContact CD2-CG 4.2Å; F147-F222 HydrophobicContact CE2-CB 3.99Å; F147-F222 AromaticContact CE2-CD1 3.94Å; F147-F222 HydrophobicContact CE2-CD1 3.94Å; F147-F222 HydrophobicContact CE2-CD2 4.2Å; F147-F222 AromaticContact CE2-CG 3.77Å; F147-F222 HydrophobicContact CE2-CG 3.77Å; F147-F222 PolarHBondContact O-N 2.97Å; Y149-F222 AromaticContact CD2-CE2 3.95Å; Y149-F222 HydrophobicContact CD2-CE2 3.95Å; Y149-F222 AromaticContact CD2-CZ 3.91Å; Y149-F222 HydrophobicContact CD2-CZ 3.91Å; Y149-F222 HydrophobicContact CG-CE2 4.44Å; F169-F222 HydrophobicContact CE2-CZ 4.27Å; V195-F222 HydrophobicContact CB-CE1 4.09Å; V195-F222 HydrophobicContact CG1-CD1 4.4Å; V195-F222 HydrophobicContact CG1-CE1 3.87Å; V195-F222 HydrophobicContact CG2-CD1 4.33Å; V195-F222 HydrophobicContact CG2-CE1 4.07Å; F204-F222 WeakPolarHBondContact O-CA 3.35Å; A205-F222 HydrophobicContact CB-CE2 4.31Å; A205-F222 HydrophobicContact CB-CZ 4.5Å; I220-F222 HydrophobicContact CG2-CE2 4.01Å; F222-I236 HydrophobicContact CD1-CG2 3.64Å; F222-I236 HydrophobicContact CE1-CB 4.38Å; F222-I236 HydrophobicContact CE1-CD1 3.72Å; F222-I236 HydrophobicContact CE1-CG1 4.07Å; F222-I236 HydrophobicContact CE1-CG2 3.47Å; F222-I236 VanDerWaalsContact CE1-CG2 3.47Å; F222-I236 HydrophobicContact CZ-CD1 3.81Å; F222-I236 HydrophobicContact CZ-CG2 4.48Å
223	F	93.7	Very high	92.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.7	177.2	-69.7	-96	0	0	0	110.8	C77 V82 I96 T114 S144 F145 C203 F204 I206 C221	C77-F223 VanDerWaalsContact SG-CZ 3.54Å; V82-F223 HydrophobicContact CG1-CD1 3.68Å; V82-F223 HydrophobicContact CG1-CD2 4.44Å; V82-F223 HydrophobicContact CG1-CE1 3.59Å; V82-F223 HydrophobicContact CG1-CE2 4.37Å; V82-F223 HydrophobicContact CG1-CG 4.11Å; V82-F223 HydrophobicContact CG1-CZ 3.95Å; V82-F223 HydrophobicContact CG2-CD1 4.38Å; I96-F223 HydrophobicContact CD1-CE2 4.49Å; I96-F223 HydrophobicContact CD1-CZ 4.44Å; T114-F223 HydrophobicContact CG2-CE1 4.4Å; T114-F223 HydrophobicContact CG2-CE2 4Å; T114-F223 HydrophobicContact CG2-CZ 3.43Å; T114-F223 VanDerWaalsContact CG2-CZ 3.43Å; S144-F223 CarbonylContact O-C 3.59Å; S144-F223 WeakPolarHBondContact O-CA 3.14Å; S144-F223 WeakPolarHBondContact O-CD1 3.23Å; F145-F223 HydrophobicContact CB-CD1 3.96Å; F145-F223 HydrophobicContact CB-CE1 3.53Å; F145-F223 HydrophobicContact CB-CZ 4.12Å; F145-F223 HydrophobicContact CD2-CE1 4.18Å; F145-F223 HydrophobicContact CD2-CE2 4.21Å; F145-F223 AromaticContact CD2-CZ 3.95Å; F145-F223 HydrophobicContact CD2-CZ 3.95Å; F145-F223 HydrophobicContact CG-CE1 4.31Å; F145-F223 HydrophobicContact CG-CZ 4.43Å; C203-F223 CarbonylContact C-O 3.4Å; C203-F223 WeakPolarHBondContact CA-O 3.39Å; C203-F223 WeakPolarHBondContact CB-O 3.47Å; F204-F223 HydrophobicContact CD1-CB 4.03Å; F204-F223 WeakPolarHBondContact CD1-O 3.43Å; F204-F223 HydrophobicContact CE1-CB 3.43Å; F204-F223 VanDerWaalsContact CE1-CB 3.43Å; F204-F223 HydrophobicContact CE1-CG 4.5Å; F204-F223 HydrophobicContact CE2-CB 4.11Å; F204-F223 HydrophobicContact CE2-CD2 4.4Å; F204-F223 HydrophobicContact CZ-CB 3.46Å; F204-F223 VanDerWaalsContact CZ-CB 3.46Å; F204-F223 HydrophobicContact CZ-CD2 4.4Å; F204-F223 HydrophobicContact CZ-CG 4.09Å; F204-F223 PolarHBondContact N-O 2.68Å; F204-F223 PolarHBondContact O-N 2.83Å; I206-F223 HydrophobicContact CG2-CD2 3.62Å; I206-F223 HydrophobicContact CG2-CE2 3.46Å; I206-F223 VanDerWaalsContact CG2-CE2 3.46Å; C221-F223 HydrophobicContact CB-CD2 4.37Å; C221-F223 HydrophobicContact CB-CE2 3.71Å
224	S	94.7	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.5	173.6	56.1	0	0	0	0	110.5	P141 K143 S144 Q226	P141-S224 PolarHBondContact O-OG 3.18Å; K143-S224 WeakPolarHBondContact CA-O 3.23Å; K143-S224 PolarHBondContact N-O 3.11Å; K143-S224 PolarHBondContact N-OG 2.86Å; S144-S224 PolarHBondContact N-OG 3.27Å; S144-S224 PolarHBondContact O-N 3.47Å; S224-Q226 WeakPolarHBondContact CB-O 3.24Å
225	R	92.9	Very high	94	Very high	56 Å²	56	34 Å²	34	21%	0.211	17%	0.172	C	C	.	.	S	Bend	trans	-81.2	-29.4	173.3	-67.8	-179.6	175.4	-139.6	-12.4	111.9	S85 H89 P201 N202 C203 F204	S85-R225 PolarHBondContact OG-O 3.23Å; H89-R225 PolarHBondContact CE1-NH1 3.45Å; P201-R225 WeakPolarHBondContact O-CD 3.38Å; N202-R225 WeakPolarHBondContact O-CB 3.35Å; N202-R225 PolarHBondContact O-N 3.37Å; C203-R225 PolarHBondContact O-NE 3.26Å; F204-R225 HydrophobicContact CB-CG 4.3Å; F204-R225 HydrophobicContact CD1-CG 3.58Å; F204-R225 HydrophobicContact CE1-CG 4.42Å; F204-R225 HydrophobicContact CG-CG 4.38Å
226	Q	93	Very high	94.6	Very high	98 Å²	98	33.9 Å²	33.9	46%	0.458	17%	0.171	S	C	.	.	S	Bend	trans	-147.3	171.5	-172	60.3	-179.9	58.7	0	0	109.2	A142 N202 S224 I228	A142-Q226 VanDerWaalsContact CA-C 3.49Å; A142-Q226 WeakPolarHBondContact CA-O 3.28Å; N202-Q226 HydrophobicContact CB-CG 4.08Å; S224-Q226 WeakPolarHBondContact CB-O 3.24Å; Q226-I228 PolarHBondContact O-N 2.98Å
227	D	96.8	Very high	95	Very high	82 Å²	82	32.9 Å²	32.9	44%	0.439	17%	0.169	S	C	.	.			trans	-60.8	133.8	169.9	-69	-10	0	0	0	109.6	H139 I140 A142	H139-D227 IonicContact NE2-OD2 3.35Å; I140-D227 WeakPolarHBondContact O-CA 3.09Å; A142-D227 WeakPolarHBondContact CB-OD1 3.46Å; A142-D227 PolarHBondContact N-OD1 3.49Å
228	I	98.4	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-113.3	123.7	178.2	-54.7	176.3	0	0	0	107.8	A136 H139 I140 N202 Q226 E232 I234	A136-I228 HydrophobicContact CB-CG2 3.89Å; H139-I228 WeakPolarHBondContact CA-O 3.35Å; I140-I228 HydrophobicContact CB-CB 4.12Å; I140-I228 PolarHBondContact N-O 3.33Å; I140-I228 PolarHBondContact O-N 3.3Å; N202-I228 HydrophobicContact CB-CD1 4.35Å; N202-I228 HydrophobicContact CB-CG1 4.28Å; Q226-I228 PolarHBondContact O-N 2.98Å; I228-E232 WeakPolarHBondContact CA-OE2 3.39Å; I228-E232 HydrophobicContact CG2-CB 3.74Å; I228-I234 HydrophobicContact CD1-CD1 3.83Å; I228-I234 HydrophobicContact CG2-CD1 4.05Å
229	Q	98.5	Very high	95	Very high	91 Å²	91	36.4 Å²	36.4	43%	0.425	19%	0.188	S	C	.	.			trans	-84.3	156.5	-179.5	-60.3	-57.8	-41.2	0	0	111.6	H139 S231 E232	H139-Q229 PolarHBondContact CD2-NE2 2.82Å; Q229-S231 PolarHBondContact O-N 2.81Å; Q229-E232 HydrophobicContact CB-CG 4.05Å; Q229-E232 PolarHBondContact N-OE2 3.5Å; Q229-E232 WeakPolarHBondContact O-CB 3.34Å; Q229-E232 WeakPolarHBondContact O-CG 3.38Å; Q229-E232 PolarHBondContact O-N 2.72Å; Q229-E232 VanDerWaalsContact O-N 3.09Å
230	P	98.2	Very high	94.7	Very high	64 Å²	64	37.5 Å²	37.5	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	138.7	171.7	-24.3	32.2	0	0	0	111.6	E232	P230-E232 VanDerWaalsContact C-N 3.26Å; P230-E232 PolarHBondContact O-N 3.03Å
231	S	97.1	Very high	94.1	Very high	87 Å²	87	39.6 Å²	39.6	61%	0.608	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.3	-176.3	-47.2	0	0	0	0	116.4	F135 A136 Q229	F135-S231 WeakPolarHBondContact CD1-O 3.47Å; A136-S231 WeakPolarHBondContact O-CA 3.23Å; A136-S231 PolarHBondContact O-N 2.88Å; Q229-S231 PolarHBondContact O-N 2.81Å
232	E	98.3	Very high	93.7	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-74.9	144.6	168.2	-69.2	-170.5	152.8	0	0	111.6	F135 A136 I228 Q229 P230	F135-E232 VanDerWaalsContact CA-O 3.29Å; F135-E232 WeakPolarHBondContact CA-O 3.4Å; A136-E232 PolarHBondContact N-O 2.66Å; I228-E232 WeakPolarHBondContact CA-OE2 3.39Å; I228-E232 HydrophobicContact CG2-CB 3.74Å; Q229-E232 HydrophobicContact CB-CG 4.05Å; Q229-E232 PolarHBondContact N-OE2 3.5Å; Q229-E232 WeakPolarHBondContact O-CB 3.34Å; Q229-E232 WeakPolarHBondContact O-CG 3.38Å; Q229-E232 PolarHBondContact O-N 2.72Å; Q229-E232 VanDerWaalsContact O-N 3.09Å; P230-E232 VanDerWaalsContact C-N 3.26Å; P230-E232 PolarHBondContact O-N 3.03Å
233	E	98.5	Very high	93.4	Very high	36 Å²	36	43 Å²	43	17%	0.168	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-77.7	130.6	177.6	-164.8	170.6	168.5	0	0	110	K130 L134 F135 N196 N202 T235	K130-E233 IonicContact NZ-OE1 2.69Å; K130-E233 PolarHBondContact NZ-OE1 2.91Å; K130-E233 IonicContact NZ-OE2 3.8Å; K130-E233 PolarHBondContact NZ-OE2 3.33Å; L134-E233 CarbonylContact O-C 3.59Å; L134-E233 WeakPolarHBondContact O-CA 3.13Å; F135-E233 HydrophobicContact CD1-CB 3.87Å; F135-E233 HydrophobicContact CD1-CG 4.33Å; F135-E233 HydrophobicContact CE1-CB 3.43Å; F135-E233 VanDerWaalsContact CE1-CB 3.43Å; F135-E233 HydrophobicContact CE1-CG 3.78Å; F135-E233 HydrophobicContact CE2-CG 4.14Å; F135-E233 HydrophobicContact CZ-CB 3.86Å; F135-E233 HydrophobicContact CZ-CG 3.64Å; N196-E233 WeakPolarHBondContact CB-OE1 2.87Å; N196-E233 PolarHBondContact ND2-OE1 3.29Å; N202-E233 PolarHBondContact ND2-O 2.81Å; N202-E233 PolarHBondContact OD1-O 3.4Å; E233-T235 HydrophobicContact CB-CG2 4.23Å; E233-T235 HydrophobicContact CG-CG2 3.95Å; E233-T235 PolarHBondContact O-N 3.34Å
234	I	98.6	Very high	92.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-73.8	123.7	170.8	-53.5	-54.1	0	0	0	107.7	F122 L134 A136 I140 L146 F147 V195 I228	F122-I234 HydrophobicContact CD1-CD1 4.48Å; F122-I234 HydrophobicContact CD1-CG1 4.03Å; F122-I234 HydrophobicContact CE1-CD1 3.95Å; F122-I234 HydrophobicContact CE1-CG1 3.84Å; L134-I234 HydrophobicContact CB-CB 4.37Å; L134-I234 HydrophobicContact CD2-CB 4.32Å; L134-I234 HydrophobicContact CD2-CG1 4.26Å; L134-I234 HydrophobicContact CG-CG1 4.31Å; L134-I234 PolarHBondContact O-N 3.21Å; A136-I234 HydrophobicContact CB-CD1 4.19Å; I140-I234 HydrophobicContact CD1-CD1 4.23Å; L146-I234 HydrophobicContact CD2-CD1 4.16Å; L146-I234 HydrophobicContact CD2-CG2 4.08Å; F147-I234 HydrophobicContact CZ-CG2 4.37Å; V195-I234 HydrophobicContact CG1-CG2 4.08Å; V195-I234 WeakPolarHBondContact CG1-O 3.48Å; V195-I234 HydrophobicContact CG2-CB 4.44Å; V195-I234 HydrophobicContact CG2-CG2 3.92Å; I228-I234 HydrophobicContact CD1-CD1 3.83Å; I228-I234 HydrophobicContact CG2-CD1 4.05Å
235	T	98.2	Very high	92.1	Very high	12 Å²	12	52 Å²	52	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.3	-177	57.7	0	0	0	0	112.6	N196 S198 P201 N202 C203 E233	N196-T235 WeakPolarHBondContact O-CA 3.39Å; N196-T235 WeakPolarHBondContact O-CB 2.92Å; S198-T235 WeakPolarHBondContact CB-OG1 3.08Å; P201-T235 WeakPolarHBondContact CB-O 3.28Å; N202-T235 PolarHBondContact N-OG1 3.08Å; N202-T235 PolarHBondContact OD1-N 3.46Å; N202-T235 PolarHBondContact OD1-O 2.78Å; N202-T235 PolarHBondContact OD1-OG1 3.01Å; C203-T235 WeakPolarHBondContact CB-O 3.47Å; C203-T235 PolarHBondContact N-O 2.87Å; E233-T235 HydrophobicContact CB-CG2 4.23Å; E233-T235 HydrophobicContact CG-CG2 3.95Å; E233-T235 PolarHBondContact O-N 3.34Å
236	I	95.9	Very high	91.4	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	167.4	172.5	57.8	159.1	0	0	0	110.7	F169 V195 N196 H197 S198 C203 F222 Y238	F169-I236 HydrophobicContact CE2-CD1 4.01Å; V195-I236 HydrophobicContact CG1-CG1 3.96Å; V195-I236 HydrophobicContact CG1-CG2 4.2Å; N196-I236 PolarHBondContact O-N 3.48Å; N196-I236 VanDerWaalsContact O-N 3.11Å; H197-I236 CarbonylContact C-O 3.35Å; H197-I236 VanDerWaalsContact CA-O 3.29Å; H197-I236 WeakPolarHBondContact CA-O 3.3Å; H197-I236 PolarHBondContact ND1-O 3.17Å; S198-I236 PolarHBondContact N-O 3.34Å; C203-I236 HydrophobicContact CB-CG2 3.86Å; F222-I236 HydrophobicContact CD1-CG2 3.64Å; F222-I236 HydrophobicContact CE1-CB 4.38Å; F222-I236 HydrophobicContact CE1-CD1 3.72Å; F222-I236 HydrophobicContact CE1-CG1 4.07Å; F222-I236 HydrophobicContact CE1-CG2 3.47Å; F222-I236 VanDerWaalsContact CE1-CG2 3.47Å; F222-I236 HydrophobicContact CZ-CD1 3.81Å; F222-I236 HydrophobicContact CZ-CG2 4.48Å; I236-Y238 HydrophobicContact CD1-CD1 3.97Å; I236-Y238 HydrophobicContact CD1-CE1 4.03Å; I236-Y238 HydrophobicContact CG1-CD1 3.82Å; I236-Y238 HydrophobicContact CG1-CE1 3.77Å
237	D	92.7	Very high	90.3	Very high	23 Å²	23	49 Å²	49	12%	0.123	27%	0.271	C	S	.	.			trans	-79.2	132.2	163.9	-162.6	-22.8	0	0	0	109	H89 H197 P201 S239 R259	H89-D237 IonicContact CE1-OD2 3.95Å; H89-D237 IonicContact CG-OD2 3.08Å; H89-D237 IonicContact ND1-OD2 2.6Å; H89-D237 PolarHBondContact ND1-OD2 3.18Å; H197-D237 IonicContact CE1-OD1 2.72Å; H197-D237 PolarHBondContact CE1-OD1 3.34Å; H197-D237 IonicContact ND1-OD1 2.68Å; P201-D237 HydrophobicContact CG-CB 4.28Å; D237-S239 VanDerWaalsContact C-N 3.25Å; D237-S239 PolarHBondContact OD1-N 3.35Å; D237-R259 IonicContact OD1-NH2 3.48Å; D237-R259 PolarHBondContact OD1-NH2 3.13Å; D237-R259 IonicContact OD2-CZ 3.42Å; D237-R259 IonicContact OD2-NH2 2.78Å; D237-R259 PolarHBondContact OD2-NH2 2.96Å
238	Y	91.4	Very high	89.3	Confident	53 Å²	53	52.9 Å²	52.9	21%	0.208	29%	0.287	C	S	.	.			trans	-87.5	-1.9	177.9	-78.8	9.2	0	0	0	111.9	V195 N196 H197 I236 Y242	V195-Y238 PolarHBondContact O-OH 2.85Å; N196-Y238 WeakPolarHBondContact CA-OH 3.3Å; H197-Y238 HydrophobicContact CB-CD1 3.84Å; H197-Y238 HydrophobicContact CB-CD2 3.71Å; H197-Y238 HydrophobicContact CB-CE1 4Å; H197-Y238 HydrophobicContact CB-CE2 3.89Å; H197-Y238 HydrophobicContact CB-CG 3.68Å; H197-Y238 AromaticContact ND1-CG 3.91Å; H197-Y238 PolarHBondContact ND1-N 3.3Å; I236-Y238 HydrophobicContact CD1-CD1 3.97Å; I236-Y238 HydrophobicContact CD1-CE1 4.03Å; I236-Y238 HydrophobicContact CG1-CD1 3.82Å; I236-Y238 HydrophobicContact CG1-CE1 3.77Å; Y238-Y242 AromaticContact CD2-CD1 3.66Å; Y238-Y242 HydrophobicContact CD2-CD1 3.66Å; Y238-Y242 AromaticContact CD2-CD2 3.99Å; Y238-Y242 HydrophobicContact CD2-CD2 3.99Å; Y238-Y242 AromaticContact CD2-CE1 3.59Å; Y238-Y242 HydrophobicContact CD2-CE1 3.59Å; Y238-Y242 AromaticContact CD2-CE2 3.92Å; Y238-Y242 HydrophobicContact CD2-CE2 3.92Å; Y238-Y242 AromaticContact CD2-CG 3.87Å; Y238-Y242 HydrophobicContact CD2-CG 3.87Å; Y238-Y242 AromaticContact CD2-CZ 3.72Å; Y238-Y242 HydrophobicContact CE2-CE1 4.25Å; Y238-Y242 HydrophobicContact CE2-CE2 4.24Å; Y238-Y242 HydrophobicContact CG-CD1 4.31Å; Y238-Y242 HydrophobicContact CG-CG 4.34Å; Y238-Y242 VanDerWaalsContact O-CB 3.23Å; Y238-Y242 WeakPolarHBondContact O-CB 2.92Å
239	S	86.5	Confident	88.6	Confident	40 Å²	40	54.7 Å²	54.7	28%	0.28	30%	0.302	S	S	.	.	H	α-helix	trans	66.1	162.5	-176.7	81.5	0	0	0	0	114.3	D237 S241 Y242 W243	D237-S239 VanDerWaalsContact C-N 3.25Å; D237-S239 PolarHBondContact OD1-N 3.35Å; S239-S241 PolarHBondContact O-N 3.05Å; S239-S241 PolarHBondContact OG-OG 2.83Å; S239-Y242 PolarHBondContact O-N 3.1Å; S239-W243 VanDerWaalsContact O-CD1 3.23Å
240	D	85	Confident	88.2	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.353	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-27.9	-179.9	-70.2	-57.9	0	0	0	112.6	Y242 W243 N244 R259 Y260	D240-Y242 PolarHBondContact O-N 2.78Å; D240-W243 PolarHBondContact O-N 3.48Å; D240-N244 VanDerWaalsContact O-CB 3.26Å; D240-N244 WeakPolarHBondContact O-CB 3.33Å; D240-N244 PolarHBondContact O-N 3.1Å; D240-N244 PolarHBondContact O-ND2 3.29Å; D240-N244 VanDerWaalsContact O-ND2 3.15Å; D240-R259 IonicContact OD1-NH1 2.72Å; D240-R259 PolarHBondContact OD1-NH1 2.84Å; D240-R259 IonicContact OD2-NH1 2.92Å; D240-R259 PolarHBondContact OD2-NH1 3.2Å; D240-Y260 VanDerWaalsContact CG-OH 3.29Å; D240-Y260 WeakPolarHBondContact OD1-CE1 3.03Å; D240-Y260 PolarHBondContact OD1-OH 2.58Å
241	S	80.2	Confident	88.1	Confident	44 Å²	44	53.7 Å²	53.7	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-44.8	179.4	64.6	0	0	0	0	112	S239 Y245	S239-S241 PolarHBondContact O-N 3.05Å; S239-S241 PolarHBondContact OG-OG 2.83Å; S241-Y245 WeakPolarHBondContact O-CB 3.26Å; S241-Y245 PolarHBondContact O-N 3.04Å
242	Y	85.6	Confident	88	Confident	49 Å²	49	52.8 Å²	52.8	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-49.4	175.5	175.6	-88.4	0	0	0	111.3	D166 Y238 S239 D240 N244 Y245 K246	D166-Y242 PolarHBondContact OD1-OH 3.16Å; Y238-Y242 AromaticContact CD2-CD1 3.66Å; Y238-Y242 HydrophobicContact CD2-CD1 3.66Å; Y238-Y242 AromaticContact CD2-CD2 3.99Å; Y238-Y242 HydrophobicContact CD2-CD2 3.99Å; Y238-Y242 AromaticContact CD2-CE1 3.59Å; Y238-Y242 HydrophobicContact CD2-CE1 3.59Å; Y238-Y242 AromaticContact CD2-CE2 3.92Å; Y238-Y242 HydrophobicContact CD2-CE2 3.92Å; Y238-Y242 AromaticContact CD2-CG 3.87Å; Y238-Y242 HydrophobicContact CD2-CG 3.87Å; Y238-Y242 AromaticContact CD2-CZ 3.72Å; Y238-Y242 HydrophobicContact CE2-CE1 4.25Å; Y238-Y242 HydrophobicContact CE2-CE2 4.24Å; Y238-Y242 HydrophobicContact CG-CD1 4.31Å; Y238-Y242 HydrophobicContact CG-CG 4.34Å; Y238-Y242 VanDerWaalsContact O-CB 3.23Å; Y238-Y242 WeakPolarHBondContact O-CB 2.92Å; S239-Y242 PolarHBondContact O-N 3.1Å; D240-Y242 PolarHBondContact O-N 2.78Å; Y242-N244 PolarHBondContact O-N 3.39Å; Y242-Y245 PolarHBondContact O-N 2.94Å; Y242-K246 HydrophobicContact CD1-CG 4.34Å; Y242-K246 HydrophobicContact CD2-CG 4.39Å; Y242-K246 HydrophobicContact CE1-CB 4.3Å; Y242-K246 HydrophobicContact CE1-CG 3.89Å; Y242-K246 HydrophobicContact CE2-CG 3.94Å; Y242-K246 WeakPolarHBondContact O-CB 3.03Å; Y242-K246 PolarHBondContact O-N 2.87Å
243	W	86.7	Confident	87.8	Confident	25 Å²	25	50.2 Å²	50.2	10%	0.095	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-34.6	-175.5	-72.3	105.5	0	0	0	112.7	H197 S239 D240 G247 A249 C251 Y260	H197-W243 HydrophobicContact CB-CZ2 4.06Å; H197-W243 AromaticContact CD2-CE2 3.87Å; H197-W243 AromaticContact CD2-CZ2 3.32Å; H197-W243 WeakPolarHBondContact CD2-CZ2 3.45Å; H197-W243 AromaticContact CD2-NE1 3.87Å; H197-W243 AromaticContact CE1-NE1 3.43Å; H197-W243 PolarHBondContact CE1-NE1 3.46Å; H197-W243 AromaticContact CG-CZ2 3.6Å; H197-W243 AromaticContact CG-NE1 3.88Å; H197-W243 AromaticContact ND1-NE1 3.63Å; H197-W243 AromaticContact NE2-CE2 3.92Å; H197-W243 AromaticContact NE2-CZ2 3.83Å; H197-W243 AromaticContact NE2-NE1 3.57Å; S239-W243 VanDerWaalsContact O-CD1 3.23Å; D240-W243 PolarHBondContact O-N 3.48Å; W243-G247 WeakPolarHBondContact O-CA 3.22Å; W243-G247 PolarHBondContact O-N 3.47Å; W243-A249 HydrophobicContact CZ3-CB 4.29Å; W243-C251 VanDerWaalsContact CH2-CA 3.46Å; W243-C251 HydrophobicContact CH2-CB 3.51Å; W243-C251 HydrophobicContact CZ2-CB 3.79Å; W243-C251 HydrophobicContact CZ3-CB 4.01Å; W243-Y260 HydrophobicContact CB-CD1 3.62Å; W243-Y260 HydrophobicContact CB-CE1 3.59Å; W243-Y260 HydrophobicContact CB-CG 4.11Å; W243-Y260 AromaticContact CD1-CD1 3.98Å; W243-Y260 AromaticContact CD1-CD2 3.4Å; W243-Y260 AromaticContact CD1-CE1 3.72Å; W243-Y260 AromaticContact CD1-CE2 3.1Å; W243-Y260 AromaticContact CD1-CG 3.82Å; W243-Y260 AromaticContact CD1-CZ 3.26Å; W243-Y260 HydrophobicContact CD2-CD1 4.03Å; W243-Y260 AromaticContact CD2-CD2 3.64Å; W243-Y260 HydrophobicContact CD2-CD2 3.64Å; W243-Y260 HydrophobicContact CD2-CE2 4.18Å; W243-Y260 AromaticContact CD2-CG 3.54Å; W243-Y260 HydrophobicContact CD2-CG 3.54Å; W243-Y260 AromaticContact CE2-CD2 3.5Å; W243-Y260 AromaticContact CE2-CE2 3.98Å; W243-Y260 AromaticContact CE2-CG 3.91Å; W243-Y260 HydrophobicContact CE3-CD2 4.46Å; W243-Y260 HydrophobicContact CE3-CG 4.04Å; W243-Y260 AromaticContact CG-CD1 3.57Å; W243-Y260 HydrophobicContact CG-CD1 3.57Å; W243-Y260 AromaticContact CG-CD2 3.62Å; W243-Y260 HydrophobicContact CG-CD2 3.62Å; W243-Y260 AromaticContact CG-CE1 3.64Å; W243-Y260 HydrophobicContact CG-CE1 3.64Å; W243-Y260 AromaticContact CG-CE2 3.71Å; W243-Y260 HydrophobicContact CG-CE2 3.71Å; W243-Y260 AromaticContact CG-CG 3.54Å; W243-Y260 HydrophobicContact CG-CG 3.54Å; W243-Y260 AromaticContact CG-CZ 3.69Å; W243-Y260 HydrophobicContact CZ2-CD2 4.28Å; W243-Y260 AromaticContact NE1-CD2 3.29Å; W243-Y260 VanDerWaalsContact NE1-CD2 3.29Å; W243-Y260 AromaticContact NE1-CE2 3.26Å; W243-Y260 VanDerWaalsContact NE1-CE2 3.26Å; W243-Y260 AromaticContact NE1-CZ 3.94Å
244	N	82.7	Confident	87.5	Confident	95 Å²	95	57.9 Å²	57.9	51%	0.508	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-43.5	173	-68.3	-21	0	0	0	110.9	D240 Y242 G247	D240-N244 VanDerWaalsContact O-CB 3.26Å; D240-N244 WeakPolarHBondContact O-CB 3.33Å; D240-N244 PolarHBondContact O-N 3.1Å; D240-N244 PolarHBondContact O-ND2 3.29Å; D240-N244 VanDerWaalsContact O-ND2 3.15Å; Y242-N244 PolarHBondContact O-N 3.39Å; N244-G247 PolarHBondContact O-N 3.18Å
245	Y	78.3	Confident	87.3	Confident	92 Å²	92	61.6 Å²	61.6	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-44.5	176.9	179	-96.5	0	0	0	112.1	A161 I164 S241 Y242 G247	A161-Y245 PolarHBondContact O-OH 3.21Å; I164-Y245 HydrophobicContact CB-CE1 4.12Å; I164-Y245 HydrophobicContact CB-CE2 4.29Å; I164-Y245 WeakPolarHBondContact CB-OH 3.34Å; I164-Y245 HydrophobicContact CD1-CE2 4.13Å; I164-Y245 HydrophobicContact CG2-CD1 4.04Å; I164-Y245 HydrophobicContact CG2-CE1 3.49Å; I164-Y245 VanDerWaalsContact CG2-CE1 3.49Å; I164-Y245 HydrophobicContact CG2-CE2 4.08Å; I164-Y245 PolarHBondContact O-OH 2.75Å; S241-Y245 WeakPolarHBondContact O-CB 3.26Å; S241-Y245 PolarHBondContact O-N 3.04Å; Y242-Y245 PolarHBondContact O-N 2.94Å; Y245-G247 PolarHBondContact O-N 3.32Å
246	K	78.5	Confident	87	Confident	27 Å²	27	72.4 Å²	72.4	12%	0.117	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	9.5	-178.3	-70.6	-73.2	172.4	165.6	0	114.2	D166 Y242 H248 A249	D166-K246 VanDerWaalsContact CG-NZ 3.28Å; D166-K246 WeakPolarHBondContact OD1-CE 3.44Å; D166-K246 IonicContact OD1-NZ 3.64Å; D166-K246 PolarHBondContact OD1-NZ 3.05Å; D166-K246 IonicContact OD2-NZ 3.27Å; D166-K246 PolarHBondContact OD2-NZ 3.04Å; Y242-K246 HydrophobicContact CD1-CG 4.34Å; Y242-K246 HydrophobicContact CD2-CG 4.39Å; Y242-K246 HydrophobicContact CE1-CB 4.3Å; Y242-K246 HydrophobicContact CE1-CG 3.89Å; Y242-K246 HydrophobicContact CE2-CG 3.94Å; Y242-K246 WeakPolarHBondContact O-CB 3.03Å; Y242-K246 PolarHBondContact O-N 2.87Å; K246-H248 CarbonylContact O-C 3.45Å; K246-H248 WeakPolarHBondContact O-CA 3.25Å; K246-H248 PolarHBondContact O-N 3.44Å; K246-H248 PolarHBondContact O-ND1 3.23Å; K246-H248 VanDerWaalsContact O-ND1 3.16Å; K246-A249 HydrophobicContact CB-CB 4.04Å; K246-A249 PolarHBondContact O-N 3.37Å
247	G	71.2	Confident	86.8	Confident	64 Å²	64	77.9 Å²	77.9	66%	0.66	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37	-7.6	-159.2	0	0	0	0	0	121.9	W243 N244 Y245	W243-G247 WeakPolarHBondContact O-CA 3.22Å; W243-G247 PolarHBondContact O-N 3.47Å; N244-G247 PolarHBondContact O-N 3.18Å; Y245-G247 PolarHBondContact O-N 3.32Å
248	H	75.7	Confident	86.8	Confident	165 Å²	165	78.4 Å²	78.4	76%	0.764	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-21.8	164.8	62.1	-85.6	0	0	0	114.4	K246	K246-H248 CarbonylContact O-C 3.45Å; K246-H248 WeakPolarHBondContact O-CA 3.25Å; K246-H248 PolarHBondContact O-N 3.44Å; K246-H248 PolarHBondContact O-ND1 3.23Å; K246-H248 VanDerWaalsContact O-ND1 3.16Å
249	A	83.8	Confident	86.8	Confident	38 Å²	38	80.7 Å²	80.7	31%	0.314	40%	0.397	S	S	.	.			trans	-74.2	144.8	-178.1	0	0	0	0	0	111.5	W243 K246	W243-A249 HydrophobicContact CZ3-CB 4.29Å; K246-A249 HydrophobicContact CB-CB 4.04Å; K246-A249 PolarHBondContact O-N 3.37Å
250	K	90.2	Very high	87	Confident	124 Å²	124	80.2 Å²	80.2	54%	0.539	39%	0.389	S	S	.	.			trans	-112.4	135.2	177	-62.8	-174	-179.1	-176.6	0	109.9	L252 K262	K250-L252 PolarHBondContact O-N 2.87Å; K250-K262 HydrophobicContact CD-CG 3.97Å
251	C	94.5	Very high	87	Confident	9 Å²	9	77.8 Å²	77.8	6%	0.061	38%	0.38	C	S	.	.			trans	-66.9	132.8	174.9	175.3	0	0	0	0	111.4	H197 W243 C253 Y260	H197-C251 PolarHBondContact CD2-SG 3.47Å; W243-C251 VanDerWaalsContact CH2-CA 3.46Å; W243-C251 HydrophobicContact CH2-CB 3.51Å; W243-C251 HydrophobicContact CZ2-CB 3.79Å; W243-C251 HydrophobicContact CZ3-CB 4.01Å; C251-C253 VanDerWaalsContact SG-CB 3.58Å; C251-C253 PolarHBondContact SG-N 3.25Å; C251-C253 VanDerWaalsContact SG-N 3.42Å; C251-C253 PolarHBondContact SG-SG 3.29Å; C251-Y260 HydrophobicContact CB-CD2 4.45Å; C251-Y260 WeakPolarHBondContact CB-O 3.41Å; C251-Y260 PolarHBondContact N-O 3.14Å
252	L	94.8	Very high	86.5	Confident	69 Å²	69	83.9 Å²	83.9	36%	0.361	40%	0.401	S	S	.	.			trans	-113.8	20.7	-177.8	-60.7	178.6	0	0	0	112.3	S129 K130 K250 K254	S129-L252 WeakPolarHBondContact OG-CD1 3.22Å; K130-L252 HydrophobicContact CD-CB 4.06Å; K130-L252 HydrophobicContact CG-CB 3.71Å; K130-L252 HydrophobicContact CG-CD1 3.97Å; K250-L252 PolarHBondContact O-N 2.87Å; L252-K254 PolarHBondContact O-N 3.37Å
253	C	94.2	Very high	85.1	Confident	18 Å²	18	89.1 Å²	89.1	12%	0.122	43%	0.432	C	S	.	.			trans	-68.5	-19	-177.7	75.1	0	0	0	0	113.8	C251 Q255 C258	C251-C253 VanDerWaalsContact SG-CB 3.58Å; C251-C253 PolarHBondContact SG-N 3.25Å; C251-C253 VanDerWaalsContact SG-N 3.42Å; C251-C253 PolarHBondContact SG-SG 3.29Å; C253-Q255 HydrophobicContact CB-CG 4.29Å; C253-Q255 PolarHBondContact O-N 3.41Å; C253-Q255 VanDerWaalsContact O-N 3.12Å; C253-C258 VanDerWaalsContact SG-SG 3.69Å
254	K	92.5	Very high	83.7	Confident	196 Å²	196	90 Å²	90	85%	0.852	44%	0.444	S	S	*	.			trans	61.3	10	-179.4	-55.7	176.9	-178.4	177.8	0	115.5	L252	L252-K254 PolarHBondContact O-N 3.37Å
255	Q	94.4	Very high	81.9	Confident	78 Å²	78	93.2 Å²	93.2	36%	0.364	46%	0.461	S	S	.	.			trans	-66.9	150.7	173	-60.4	-62.1	-13.4	0	0	111	S198 V200 C253 E257 C258	S198-Q255 WeakPolarHBondContact OG-CG 3.28Å; V200-Q255 HydrophobicContact CB-CB 4.34Å; V200-Q255 HydrophobicContact CB-CG 3.84Å; V200-Q255 HydrophobicContact CG2-CB 3.85Å; V200-Q255 HydrophobicContact CG2-CG 3.94Å; C253-Q255 HydrophobicContact CB-CG 4.29Å; C253-Q255 PolarHBondContact O-N 3.41Å; C253-Q255 VanDerWaalsContact O-N 3.12Å; Q255-E257 VanDerWaalsContact C-N 3.28Å; Q255-E257 PolarHBondContact O-N 3.25Å; Q255-C258 WeakPolarHBondContact O-CB 3.22Å; Q255-C258 PolarHBondContact O-N 2.67Å
256	R	92.2	Very high	80.1	Confident	240 Å²	240	93.2 Å²	93.2	91%	0.906	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-36.1	178.7	-69.5	-179.7	177.1	-180	-0.2	111	C258	R256-C258 PolarHBondContact O-N 3.23Å
257	E	91.6	Very high	78.3	Confident	120 Å²	120	100.6 Å²	100.6	56%	0.561	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	21.8	-179.9	-55.2	73.6	-162.6	0	0	112.2	V200 Q255 R259	V200-E257 HydrophobicContact CG2-CB 4.09Å; Q255-E257 VanDerWaalsContact C-N 3.28Å; Q255-E257 PolarHBondContact O-N 3.25Å; E257-R259 PolarHBondContact O-N 2.82Å
258	C	93.6	Very high	76.4	Confident	35 Å²	35	101.4 Å²	101.4	24%	0.236	50%	0.502	C	S	.	.			trans	-63.2	117.4	-176.5	-178.1	0	0	0	0	112.1	C253 Q255 R256 G261	C253-C258 VanDerWaalsContact SG-SG 3.69Å; Q255-C258 WeakPolarHBondContact O-CB 3.22Å; Q255-C258 PolarHBondContact O-N 2.67Å; R256-C258 PolarHBondContact O-N 3.23Å; C258-G261 PolarHBondContact SG-N 3.33Å
259	R	91.7	Very high	74.5	Confident	100 Å²	100	102.7 Å²	102.7	38%	0.377	51%	0.508	S	S	.	.	S	Bend	trans	-79.3	-24.6	-176.7	-59	-167.5	-71.2	148.3	-5.9	114	C199 D237 D240 E257 A264	C199-R259 PolarHBondContact SG-N 2.81Å; D237-R259 IonicContact OD1-NH2 3.48Å; D237-R259 PolarHBondContact OD1-NH2 3.13Å; D237-R259 IonicContact OD2-CZ 3.42Å; D237-R259 IonicContact OD2-NH2 2.78Å; D237-R259 PolarHBondContact OD2-NH2 2.96Å; D240-R259 IonicContact OD1-NH1 2.72Å; D240-R259 PolarHBondContact OD1-NH1 2.84Å; D240-R259 IonicContact OD2-NH1 2.92Å; D240-R259 PolarHBondContact OD2-NH1 3.2Å; E257-R259 PolarHBondContact O-N 2.82Å; R259-A264 WeakPolarHBondContact O-CB 3.19Å
260	Y	90.2	Very high	72.1	Confident	31 Å²	31	105.9 Å²	105.9	12%	0.122	52%	0.524	C	S	.	.	S	Bend	trans	-124.6	21.7	-171.2	-38.4	-80.5	0	0	0	113.1	H197 D240 W243 C251	H197-Y260 AromaticContact NE2-CD2 3.87Å; D240-Y260 VanDerWaalsContact CG-OH 3.29Å; D240-Y260 WeakPolarHBondContact OD1-CE1 3.03Å; D240-Y260 PolarHBondContact OD1-OH 2.58Å; W243-Y260 HydrophobicContact CB-CD1 3.62Å; W243-Y260 HydrophobicContact CB-CE1 3.59Å; W243-Y260 HydrophobicContact CB-CG 4.11Å; W243-Y260 AromaticContact CD1-CD1 3.98Å; W243-Y260 AromaticContact CD1-CD2 3.4Å; W243-Y260 AromaticContact CD1-CE1 3.72Å; W243-Y260 AromaticContact CD1-CE2 3.1Å; W243-Y260 AromaticContact CD1-CG 3.82Å; W243-Y260 AromaticContact CD1-CZ 3.26Å; W243-Y260 HydrophobicContact CD2-CD1 4.03Å; W243-Y260 AromaticContact CD2-CD2 3.64Å; W243-Y260 HydrophobicContact CD2-CD2 3.64Å; W243-Y260 HydrophobicContact CD2-CE2 4.18Å; W243-Y260 AromaticContact CD2-CG 3.54Å; W243-Y260 HydrophobicContact CD2-CG 3.54Å; W243-Y260 AromaticContact CE2-CD2 3.5Å; W243-Y260 AromaticContact CE2-CE2 3.98Å; W243-Y260 AromaticContact CE2-CG 3.91Å; W243-Y260 HydrophobicContact CE3-CD2 4.46Å; W243-Y260 HydrophobicContact CE3-CG 4.04Å; W243-Y260 AromaticContact CG-CD1 3.57Å; W243-Y260 HydrophobicContact CG-CD1 3.57Å; W243-Y260 AromaticContact CG-CD2 3.62Å; W243-Y260 HydrophobicContact CG-CD2 3.62Å; W243-Y260 AromaticContact CG-CE1 3.64Å; W243-Y260 HydrophobicContact CG-CE1 3.64Å; W243-Y260 AromaticContact CG-CE2 3.71Å; W243-Y260 HydrophobicContact CG-CE2 3.71Å; W243-Y260 AromaticContact CG-CG 3.54Å; W243-Y260 HydrophobicContact CG-CG 3.54Å; W243-Y260 AromaticContact CG-CZ 3.69Å; W243-Y260 HydrophobicContact CZ2-CD2 4.28Å; W243-Y260 AromaticContact NE1-CD2 3.29Å; W243-Y260 VanDerWaalsContact NE1-CD2 3.29Å; W243-Y260 AromaticContact NE1-CE2 3.26Å; W243-Y260 VanDerWaalsContact NE1-CE2 3.26Å; W243-Y260 AromaticContact NE1-CZ 3.94Å; C251-Y260 HydrophobicContact CB-CD2 4.45Å; C251-Y260 WeakPolarHBondContact CB-O 3.41Å; C251-Y260 PolarHBondContact N-O 3.14Å
261	G	84.2	Confident	69.5	Low	15 Å²	15	107 Å²	107	16%	0.155	53%	0.531	C	S	.	.	S	Bend	trans	-77.2	-173.8	-179	0	0	0	0	0	113.8	C258 N263 A264	C258-G261 PolarHBondContact SG-N 3.33Å; G261-N263 PolarHBondContact O-N 2.66Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3Å; G261-A264 PolarHBondContact O-N 2.93Å; G261-A264 VanDerWaalsContact O-N 3.08Å
262	K	69.1	Low	66.6	Low	172 Å²	172	111 Å²	111	75%	0.748	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.3	177.8	-70.6	-175.3	-179.6	-177.5	0	114	K250	K250-K262 HydrophobicContact CD-CG 3.97Å
263	N	57.5	Low	63.9	Low	159 Å²	159	111.2 Å²	111.2	85%	0.85	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	5.9	179.5	-64.2	-4.7	0	0	0	112.7	G261 L265	G261-N263 PolarHBondContact O-N 2.66Å; N263-L265 PolarHBondContact O-N 2.72Å
264	A	56.9	Low	61.1	Low	42 Å²	42	114.8 Å²	114.8	35%	0.347	57%	0.574	S	S	.	*	S	Bend	trans	-59.3	113	165.9	0	0	0	0	0	105.5	R259 G261 S266	R259-A264 WeakPolarHBondContact O-CB 3.19Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3Å; G261-A264 PolarHBondContact O-N 2.93Å; G261-A264 VanDerWaalsContact O-N 3.08Å; A264-S266 PolarHBondContact O-N 3.09Å; A264-S266 VanDerWaalsContact O-N 3.07Å
265	L	45.8	Very low	58.5	Low	164 Å²	164	110.9 Å²	110.9	86%	0.859	56%	0.562	S	S	*	*			trans	-39.9	124.9	171	-75.9	162.3	0	0	0	105.7	N263 K267	N263-L265 PolarHBondContact O-N 2.72Å; L265-K267 VanDerWaalsContact C-N 3.33Å; L265-K267 PolarHBondContact O-N 3.46Å
266	S	40	Very low	55.8	Low	92 Å²	92	111.2 Å²	111.2	64%	0.643	56%	0.564	S	S	*	*			trans	-48.8	111.3	171.9	50.4	0	0	0	0	105.3	A264 S268	A264-S266 PolarHBondContact O-N 3.09Å; A264-S266 VanDerWaalsContact O-N 3.07Å; S266-S268 PolarHBondContact O-N 3.28Å; S266-S268 PolarHBondContact O-OG 2.93Å; S266-S268 PolarHBondContact OG-OG 3.49Å
267	K	40.4	Very low	53.3	Low	181 Å²	181	103.3 Å²	103.3	79%	0.787	54%	0.539	S	S	*	.			trans	-69	58.8	153.7	-73.9	-172.7	177.8	-179.9	0	105.4	L265	L265-K267 VanDerWaalsContact C-N 3.33Å; L265-K267 PolarHBondContact O-N 3.46Å
268	S	32.1	Very low	50.8	Low	82 Å²	82	100.3 Å²	100.3	57%	0.573	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	124.8	167.8	41	0	0	0	0	104.9	S266	S266-S268 PolarHBondContact O-N 3.28Å; S266-S268 PolarHBondContact O-OG 2.93Å; S266-S268 PolarHBondContact OG-OG 3.49Å
269	E	34.2	Very low	48	Very low	192 Å²	192	100.6 Å²	100.6	90%	0.897	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	33.9	177.1	-54.1	-175.8	162	0	0	117.8
270	V	34.2	Very low	45.4	Very low	105 Å²	105	100.8 Å²	100.8	64%	0.636	54%	0.535	S	S	*	.			trans	-113.6	81.2	137.1	-176.7	0	0	0	0	106.9	M272	V270-M272 HydrophobicContact CG1-CB 4.04Å; V270-M272 HydrophobicContact CG1-CG 3.42Å; V270-M272 VanDerWaalsContact CG1-CG 3.42Å; V270-M272 HydrophobicContact CG1-SD 3.81Å; V270-M272 PolarHBondContact O-N 3.1Å
271	Q	34.9	Very low	43.1	Very low	148 Å²	148	102.7 Å²	102.7	69%	0.692	54%	0.544	S	S	*	.			trans	-71.7	73.5	162.9	-164.2	-178.4	-13.6	0	0	106.4	D273 F313	Q271-D273 PolarHBondContact O-N 3.43Å; Q271-F313 VanDerWaalsContact NE2-CZ 3.31Å
272	M	35.1	Very low	40.9	Very low	93 Å²	93	105.7 Å²	105.7	46%	0.458	56%	0.562	S	S	.	*			trans	-74	118.4	165.2	-90.7	177.5	87.3	0	0	106.1	V270 Q276 L277	V270-M272 HydrophobicContact CG1-CB 4.04Å; V270-M272 HydrophobicContact CG1-CG 3.42Å; V270-M272 VanDerWaalsContact CG1-CG 3.42Å; V270-M272 HydrophobicContact CG1-SD 3.81Å; V270-M272 PolarHBondContact O-N 3.1Å; M272-Q276 HydrophobicContact CB-CB 4.37Å; M272-Q276 HydrophobicContact CE-CB 4.16Å; M272-Q276 HydrophobicContact CG-CB 4.4Å; M272-L277 HydrophobicContact CE-CD1 4.15Å
273	D	37.2	Very low	39.5	Very low	73 Å²	73	102.5 Å²	102.5	39%	0.39	55%	0.553	S	S	.	*			trans	-44.7	135.4	165.9	-173.7	-10.3	0	0	0	107.9	Q271 L275 Q276 L277	Q271-D273 PolarHBondContact O-N 3.43Å; D273-L275 PolarHBondContact O-N 2.99Å; D273-L275 WeakPolarHBondContact OD1-CA 3.37Å; D273-L275 VanDerWaalsContact OD1-CB 3.25Å; D273-L275 WeakPolarHBondContact OD1-CB 3.42Å; D273-L275 PolarHBondContact OD1-N 3.15Å; D273-Q276 VanDerWaalsContact C-N 3.3Å; D273-Q276 HydrophobicContact CB-CB 3.76Å; D273-Q276 HydrophobicContact CB-CG 3.94Å; D273-Q276 WeakPolarHBondContact O-CA 3.49Å; D273-Q276 VanDerWaalsContact O-CB 3.3Å; D273-Q276 WeakPolarHBondContact O-CB 3.31Å; D273-Q276 PolarHBondContact O-N 3.29Å; D273-L277 PolarHBondContact O-N 3.46Å
274	P	36.3	Very low	38.8	Very low	92 Å²	92	97.6 Å²	97.6	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-51.3	-37.6	165.8	-25.5	33.8	0	0	0	109.5	Q276 F278	P274-Q276 PolarHBondContact O-N 2.94Å; P274-F278 WeakPolarHBondContact O-CD2 3.49Å; P274-F278 PolarHBondContact O-N 2.75Å
275	L	36.8	Very low	38.1	Very low	115 Å²	115	102 Å²	102	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-71.7	1.1	169.1	-61.7	165.4	0	0	0	114.1	D273 F278 S279	D273-L275 PolarHBondContact O-N 2.99Å; D273-L275 WeakPolarHBondContact OD1-CA 3.37Å; D273-L275 VanDerWaalsContact OD1-CB 3.25Å; D273-L275 WeakPolarHBondContact OD1-CB 3.42Å; D273-L275 PolarHBondContact OD1-N 3.15Å; L275-F278 CarbonylContact O-C 3.52Å; L275-S279 WeakPolarHBondContact O-CA 3.33Å; L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.92Å
276	Q	37.3	Very low	37.7	Very low	85 Å²	85	101.2 Å²	101.2	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-92.3	-37.3	171.8	-103.2	169.1	-34.4	0	0	113.5	M272 D273 P274 F278 S279 D280	M272-Q276 HydrophobicContact CB-CB 4.37Å; M272-Q276 HydrophobicContact CE-CB 4.16Å; M272-Q276 HydrophobicContact CG-CB 4.4Å; D273-Q276 VanDerWaalsContact C-N 3.3Å; D273-Q276 HydrophobicContact CB-CB 3.76Å; D273-Q276 HydrophobicContact CB-CG 3.94Å; D273-Q276 WeakPolarHBondContact O-CA 3.49Å; D273-Q276 VanDerWaalsContact O-CB 3.3Å; D273-Q276 WeakPolarHBondContact O-CB 3.31Å; D273-Q276 PolarHBondContact O-N 3.29Å; P274-Q276 PolarHBondContact O-N 2.94Å; Q276-F278 PolarHBondContact O-N 3.18Å; Q276-S279 VanDerWaalsContact CA-OG 3.26Å; Q276-S279 WeakPolarHBondContact CA-OG 3.41Å; Q276-S279 VanDerWaalsContact CG-OG 3.29Å; Q276-S279 WeakPolarHBondContact CG-OG 3.49Å; Q276-S279 PolarHBondContact O-N 2.75Å; Q276-S279 VanDerWaalsContact O-N 3.14Å; Q276-S279 PolarHBondContact O-OG 3.49Å; Q276-D280 PolarHBondContact O-N 3.49Å
277	L	40.3	Very low	37.7	Very low	73 Å²	73	102.8 Å²	102.8	38%	0.382	52%	0.523	S	S	.	.	H	α-helix	trans	-60.5	-27.3	161.4	-133	94.6	0	0	0	110.2	M272 D273 F281	M272-L277 HydrophobicContact CE-CD1 4.15Å; D273-L277 PolarHBondContact O-N 3.46Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 VanDerWaalsContact O-CE2 3.3Å; L277-F281 WeakPolarHBondContact O-CE2 3.37Å
278	F	39.7	Very low	37.9	Very low	58 Å²	58	98.1 Å²	98.1	25%	0.254	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-0.4	171.1	-59.7	-71.9	0	0	0	114.8	I164 P274 L275 Q276 F281 S282	I164-F278 HydrophobicContact CD1-CZ 4.27Å; P274-F278 WeakPolarHBondContact O-CD2 3.49Å; P274-F278 PolarHBondContact O-N 2.75Å; L275-F278 CarbonylContact O-C 3.52Å; Q276-F278 PolarHBondContact O-N 3.18Å; F278-F281 CarbonylContact O-C 3.5Å; F278-F281 WeakPolarHBondContact O-CA 2.83Å; F278-F281 WeakPolarHBondContact O-CB 2.9Å; F278-F281 PolarHBondContact O-N 2.8Å; F278-S282 VanDerWaalsContact O-CB 3.32Å; F278-S282 WeakPolarHBondContact O-CB 3.16Å; F278-S282 PolarHBondContact O-N 2.55Å
279	S	33.4	Very low	38.3	Very low	40 Å²	40	98.8 Å²	98.8	28%	0.28	50%	0.5	S	S	.	.	H	α-helix	trans	-92.1	-35.8	-173.2	64.4	0	0	0	0	108.4	L275 Q276 F281 S282 L283	L275-S279 WeakPolarHBondContact O-CA 3.33Å; L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.92Å; Q276-S279 VanDerWaalsContact CA-OG 3.26Å; Q276-S279 WeakPolarHBondContact CA-OG 3.41Å; Q276-S279 VanDerWaalsContact CG-OG 3.29Å; Q276-S279 WeakPolarHBondContact CG-OG 3.49Å; Q276-S279 PolarHBondContact O-N 2.75Å; Q276-S279 VanDerWaalsContact O-N 3.14Å; Q276-S279 PolarHBondContact O-OG 3.49Å; S279-F281 PolarHBondContact O-N 3.37Å; S279-S282 PolarHBondContact O-N 3.29Å; S279-L283 WeakPolarHBondContact O-CA 3.29Å; S279-L283 WeakPolarHBondContact O-CB 3.01Å; S279-L283 PolarHBondContact O-N 3.32Å
280	D	38.5	Very low	38.6	Very low	104 Å²	104	93.7 Å²	93.7	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-59.3	-30.1	163.2	-71.6	-17.2	0	0	0	109.5	Q276 N284	Q276-D280 PolarHBondContact O-N 3.49Å; D280-N284 WeakPolarHBondContact O-CB 3.17Å; D280-N284 PolarHBondContact O-N 2.86Å; D280-N284 PolarHBondContact O-ND2 3.44Å
281	F	41.9	Very low	39.1	Very low	71 Å²	71	93 Å²	93	31%	0.311	48%	0.475	S	S	.	.	H	α-helix	trans	-77	-42	174.6	-76.4	-103.8	0	0	0	114.1	L178 Y180 L277 F278 S279 N284 K285	L178-F281 HydrophobicContact CD2-CD1 4.24Å; L178-F281 HydrophobicContact CD2-CE1 4.45Å; Y180-F281 HydrophobicContact CD1-CD1 4.45Å; Y180-F281 AromaticContact CD1-CE1 3.91Å; Y180-F281 HydrophobicContact CD1-CE1 3.91Å; Y180-F281 AromaticContact CE1-CD1 3.61Å; Y180-F281 HydrophobicContact CE1-CD1 3.61Å; Y180-F281 AromaticContact CE1-CE1 3.47Å; Y180-F281 HydrophobicContact CE1-CE1 3.47Å; Y180-F281 VanDerWaalsContact CE1-CE1 3.47Å; Y180-F281 HydrophobicContact CE1-CZ 4.49Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 VanDerWaalsContact O-CE2 3.3Å; L277-F281 WeakPolarHBondContact O-CE2 3.37Å; F278-F281 CarbonylContact O-C 3.5Å; F278-F281 WeakPolarHBondContact O-CA 2.83Å; F278-F281 WeakPolarHBondContact O-CB 2.9Å; F278-F281 PolarHBondContact O-N 2.8Å; S279-F281 PolarHBondContact O-N 3.37Å; F281-N284 PolarHBondContact O-N 3.27Å; F281-K285 PolarHBondContact O-N 3.14Å
282	S	37.1	Very low	39.5	Very low	78 Å²	78	93 Å²	93	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-80.2	-32.8	-177.8	-156.9	0	0	0	0	112.3	F278 S279 N284 K285 F286	F278-S282 VanDerWaalsContact O-CB 3.32Å; F278-S282 WeakPolarHBondContact O-CB 3.16Å; F278-S282 PolarHBondContact O-N 2.55Å; S279-S282 PolarHBondContact O-N 3.29Å; S282-N284 VanDerWaalsContact C-N 3.32Å; S282-K285 WeakPolarHBondContact O-CB 3.44Å; S282-K285 PolarHBondContact O-N 2.83Å; S282-F286 PolarHBondContact O-N 3.26Å
283	L	40.3	Very low	39.9	Very low	106 Å²	106	95.1 Å²	95.1	56%	0.555	49%	0.485	S	S	*	.	H	α-helix	trans	-68	-34.2	170.2	-156.7	90	0	0	0	110.9	S279 F286 K287	S279-L283 WeakPolarHBondContact O-CA 3.29Å; S279-L283 WeakPolarHBondContact O-CB 3.01Å; S279-L283 PolarHBondContact O-N 3.32Å; L283-F286 PolarHBondContact O-N 2.72Å; L283-K287 WeakPolarHBondContact O-CG 3.32Å; L283-K287 PolarHBondContact O-N 2.94Å
284	N	42.1	Very low	40.1	Very low	55 Å²	55	95.2 Å²	95.2	29%	0.294	49%	0.489	S	S	.	.	H	α-helix	trans	-73.5	-32.7	172.3	-75.7	-24.7	0	0	0	112.6	L178 D280 F281 S282 F286 K287 L288	L178-N284 HydrophobicContact CD1-CB 4.37Å; L178-N284 HydrophobicContact CD2-CB 4.23Å; D280-N284 WeakPolarHBondContact O-CB 3.17Å; D280-N284 PolarHBondContact O-N 2.86Å; D280-N284 PolarHBondContact O-ND2 3.44Å; F281-N284 PolarHBondContact O-N 3.27Å; S282-N284 VanDerWaalsContact C-N 3.32Å; N284-F286 VanDerWaalsContact C-N 3.33Å; N284-K287 PolarHBondContact O-N 3.48Å; N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 PolarHBondContact O-N 2.99Å
285	K	41.8	Very low	40.3	Very low	134 Å²	134	94.3 Å²	94.3	58%	0.583	50%	0.496	S	S	*	.	H	α-helix	trans	-60.8	-40.9	168.2	-169.6	175.8	-175.8	173.2	0	111.9	F281 S282 L288 E289	F281-K285 PolarHBondContact O-N 3.14Å; S282-K285 WeakPolarHBondContact O-CB 3.44Å; S282-K285 PolarHBondContact O-N 2.83Å; K285-L288 PolarHBondContact O-N 3.33Å; K285-E289 WeakPolarHBondContact O-CG 3.43Å; K285-E289 PolarHBondContact O-N 2.9Å
286	F	38	Very low	40.5	Very low	149 Å²	149	95.6 Å²	95.6	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-41	173.9	-147.5	-97.5	0	0	0	111.7	S282 L283 N284 L290	S282-F286 PolarHBondContact O-N 3.26Å; L283-F286 PolarHBondContact O-N 2.72Å; N284-F286 VanDerWaalsContact C-N 3.33Å; F286-L290 HydrophobicContact CD1-CD1 3.59Å; F286-L290 HydrophobicContact CE1-CD1 3.83Å; F286-L290 VanDerWaalsContact O-CB 3.32Å; F286-L290 WeakPolarHBondContact O-CB 3.24Å; F286-L290 WeakPolarHBondContact O-CD1 3.46Å; F286-L290 PolarHBondContact O-N 3.43Å
287	K	40.5	Very low	40.1	Very low	125 Å²	125	98.3 Å²	98.3	54%	0.543	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-39.1	173.3	-76.2	177.6	180	173.9	0	112.9	L283 N284 L290 T291	L283-K287 WeakPolarHBondContact O-CG 3.32Å; L283-K287 PolarHBondContact O-N 2.94Å; N284-K287 PolarHBondContact O-N 3.48Å; K287-L290 WeakPolarHBondContact O-CB 3.41Å; K287-L290 PolarHBondContact O-N 3Å; K287-T291 PolarHBondContact O-N 3Å; K287-T291 PolarHBondContact O-OG1 2.92Å
288	L	43.3	Very low	39.7	Very low	82 Å²	82	101.1 Å²	101.1	43%	0.429	53%	0.533	S	S	.	.	H	α-helix	trans	-71.3	-42.9	-178.1	-137.6	93.1	0	0	0	112.2	L178 N284 K285 L290 T291 K292	L178-L288 HydrophobicContact CD1-CD1 4.23Å; N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 PolarHBondContact O-N 2.99Å; K285-L288 PolarHBondContact O-N 3.33Å; L288-L290 VanDerWaalsContact C-N 3.33Å; L288-T291 VanDerWaalsContact CA-OG1 3.24Å; L288-T291 WeakPolarHBondContact CA-OG1 3.3Å; L288-T291 PolarHBondContact O-N 3.23Å; L288-T291 PolarHBondContact O-OG1 3.08Å; L288-K292 PolarHBondContact O-N 2.9Å
289	E	42	Very low	39.2	Very low	96 Å²	96	106.1 Å²	106.1	45%	0.449	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-37.3	172.6	-74.6	-61.4	133.6	0	0	111.3	K285 K292 L293	K285-E289 WeakPolarHBondContact O-CG 3.43Å; K285-E289 PolarHBondContact O-N 2.9Å; E289-K292 PolarHBondContact O-N 3.46Å; E289-L293 WeakPolarHBondContact O-CB 3.35Å; E289-L293 WeakPolarHBondContact O-CD1 3.32Å; E289-L293 WeakPolarHBondContact O-CG 3.35Å; E289-L293 PolarHBondContact O-N 3.39Å
290	L	40.6	Very low	39.1	Very low	85 Å²	85	111.8 Å²	111.8	45%	0.445	59%	0.588	S	S	.	*	H	α-helix	trans	-60.1	-49.7	168.9	-92.3	151.4	0	0	0	111.3	F286 K287 L288 K292 L293 T294	F286-L290 HydrophobicContact CD1-CD1 3.59Å; F286-L290 HydrophobicContact CE1-CD1 3.83Å; F286-L290 VanDerWaalsContact O-CB 3.32Å; F286-L290 WeakPolarHBondContact O-CB 3.24Å; F286-L290 WeakPolarHBondContact O-CD1 3.46Å; F286-L290 PolarHBondContact O-N 3.43Å; K287-L290 WeakPolarHBondContact O-CB 3.41Å; K287-L290 PolarHBondContact O-N 3Å; L288-L290 VanDerWaalsContact C-N 3.33Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.35Å; L290-L293 CarbonylContact O-C 3.51Å; L290-L293 PolarHBondContact O-N 3.04Å; L290-L293 VanDerWaalsContact O-N 3.13Å; L290-T294 HydrophobicContact CD2-CG2 4.32Å; L290-T294 VanDerWaalsContact O-CB 3.3Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 VanDerWaalsContact O-CG2 3.25Å; L290-T294 WeakPolarHBondContact O-CG2 3.45Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.26Å
291	T	44.1	Very low	38.7	Very low	90 Å²	90	116 Å²	116	55%	0.552	60%	0.604	S	S	*	*	H	α-helix	trans	-63.8	-29.5	177	28.1	0	0	0	0	114.8	K287 L288 T294 G295	K287-T291 PolarHBondContact O-N 3Å; K287-T291 PolarHBondContact O-OG1 2.92Å; L288-T291 VanDerWaalsContact CA-OG1 3.24Å; L288-T291 WeakPolarHBondContact CA-OG1 3.3Å; L288-T291 PolarHBondContact O-N 3.23Å; L288-T291 PolarHBondContact O-OG1 3.08Å; T291-T294 WeakPolarHBondContact CA-OG1 3.25Å; T291-G295 PolarHBondContact O-N 3.38Å
292	K	43	Very low	38.3	Very low	149 Å²	149	119.2 Å²	119.2	65%	0.648	62%	0.624	S	S	*	*	H	α-helix	trans	-74.5	-31.1	173.4	-75.6	178	-179.4	174.2	0	112.2	L288 E289 L290	L288-K292 PolarHBondContact O-N 2.9Å; E289-K292 PolarHBondContact O-N 3.46Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.35Å
293	L	44.5	Very low	38	Very low	138 Å²	138	125.4 Å²	125.4	72%	0.723	64%	0.641	S	S	*	*	H	α-helix	trans	-83.4	-24.5	174.3	-74	162.5	0	0	0	112.8	E289 L290	E289-L293 WeakPolarHBondContact O-CB 3.35Å; E289-L293 WeakPolarHBondContact O-CD1 3.32Å; E289-L293 WeakPolarHBondContact O-CG 3.35Å; E289-L293 PolarHBondContact O-N 3.39Å; L290-L293 CarbonylContact O-C 3.51Å; L290-L293 PolarHBondContact O-N 3.04Å; L290-L293 VanDerWaalsContact O-N 3.13Å
294	T	40.7	Very low	37.5	Very low	75 Å²	75	127.1 Å²	127.1	46%	0.46	65%	0.648	S	S	.	*			trans	-106.3	24.5	-175.5	64.3	0	0	0	0	114.4	L290 T291 I296	L290-T294 HydrophobicContact CD2-CG2 4.32Å; L290-T294 VanDerWaalsContact O-CB 3.3Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 VanDerWaalsContact O-CG2 3.25Å; L290-T294 WeakPolarHBondContact O-CG2 3.45Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.26Å; T291-T294 WeakPolarHBondContact CA-OG1 3.25Å; T294-I296 CarbonylContact O-C 3.5Å; T294-I296 PolarHBondContact O-N 2.77Å
295	G	40.2	Very low	36.9	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	68%	0.676	S	S	*	*	S	Bend	trans	-56.4	1	161.3	0	0	0	0	0	114.4	T291	T291-G295 PolarHBondContact O-N 3.38Å
296	I	40.4	Very low	36.3	Very low	142 Å²	142	133.5 Å²	133.5	73%	0.728	69%	0.686	S	S	*	*	S	Bend	trans	-121	101.9	170.8	-60.1	170.3	0	0	0	107.4	T294	T294-I296 CarbonylContact O-C 3.5Å; T294-I296 PolarHBondContact O-N 2.77Å
297	L	29.5	Very low	35.8	Very low	142 Å²	142	137.3 Å²	137.3	74%	0.743	70%	0.696	S	S	*	*			trans	79.4	117.1	142.4	-142.4	76.4	0	0	0	119.9
298	L	31.5	Very low	35.1	Very low	132 Å²	132	137.4 Å²	137.4	69%	0.691	71%	0.708	S	S	*	*			trans	71.9	111.6	143.6	-100.4	94.8	0	0	0	121.5	L300	L298-L300 PolarHBondContact O-N 2.76Å
299	L	29	Very low	34.3	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	72%	0.719	S	S	*	*				18.3	92.5	122.6	-72.7	156.8	0	0	0	116.3
300	L	31.7	Very low	33.5	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	74%	0.739	S	S	*	*			trans	-143.1	115.8	156.1	-84.5	173.7	0	0	0	110.6	L298 L302	L298-L300 PolarHBondContact O-N 2.76Å; L300-L302 PolarHBondContact O-N 3.13Å
301	E	30.3	Very low	32.8	Very low	192 Å²	192	149.7 Å²	149.7	90%	0.897	76%	0.757	S	S	*	*			trans	-58.6	108.6	167.2	-64.1	-178.3	144.3	0	0	109.9
302	L	34.1	Very low	31.9	Very low	139 Å²	139	153.3 Å²	153.3	73%	0.728	77%	0.771	S	S	*	*			trans	-107.2	91.3	168.5	-86.6	162.4	0	0	0	109.9	L300 M304	L300-L302 PolarHBondContact O-N 3.13Å; L302-M304 HydrophobicContact CB-CG 4.47Å; L302-M304 HydrophobicContact CD2-CG 4.41Å; L302-M304 PolarHBondContact O-N 2.98Å; L302-M304 VanDerWaalsContact O-N 3.08Å
303	K	29.6	Very low	31	Very low	207 Å²	207	154.1 Å²	154.1	90%	0.9	78%	0.775	S	S	*	*			trans	-62.9	96.8	155.8	-80.1	176.7	175.5	170.6	0	108.1
304	M	30.8	Very low	30.1	Very low	142 Å²	142	152.3 Å²	152.3	70%	0.7	78%	0.78	S	S	*	*			trans	-108.8	105.5	169.7	-76	-173.5	63.1	0	0	110.6	L302 V306	L302-M304 HydrophobicContact CB-CG 4.47Å; L302-M304 HydrophobicContact CD2-CG 4.41Å; L302-M304 PolarHBondContact O-N 2.98Å; L302-M304 VanDerWaalsContact O-N 3.08Å; M304-V306 PolarHBondContact O-N 3.19Å
305	H	28.6	Very low	29.3	Very low	193 Å²	193	154.3 Å²	154.3	89%	0.894	80%	0.797	S	S	*	*			trans	-60.4	108.7	161.1	-87.8	-25.3	0	0	0	109.7
306	V	30.9	Very low	28.7	Very low	130 Å²	130	160.4 Å²	160.4	79%	0.788	80%	0.803	S	S	*	*			trans	-98.7	105.7	165.6	-176.4	0	0	0	0	108.3	M304	M304-V306 PolarHBondContact O-N 3.19Å
307	R	27.3	Very low	27.9	Very low	229 Å²	229	157.3 Å²	157.3	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66.9	130.5	169	-75.8	177.5	170.2	172.3	-2.8	109.2
308	T	24.7	Very low	27.9	Very low	128 Å²	128	157.2 Å²	157.2	79%	0.785	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-52.2	134.6	170.1	47.2	0	0	0	0	112.9
309	P	27.7	Very low	27.6	Very low	104 Å²	104	160.4 Å²	160.4	68%	0.675	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-90.5	121.3	154.3	10	8.4	0	0	0	110.1	F311	P309-F311 HydrophobicContact CB-CD2 4.13Å; P309-F311 HydrophobicContact CB-CE2 3.71Å
310	R	23.5	Very low	27.7	Very low	229 Å²	229	159.7 Å²	159.7	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-66.4	129	163.4	-70.6	172.7	168.3	174	-5.2	108.9
311	F	27.2	Very low	27.6	Very low	188 Å²	188	158.2 Å²	158.2	83%	0.825	81%	0.808	S	S	*	*			trans	-136.1	140	157.8	-73.2	-73	0	0	0	112.2	P309	P309-F311 HydrophobicContact CB-CD2 4.13Å; P309-F311 HydrophobicContact CB-CE2 3.71Å
312	I	25.4	Very low	27.4	Very low	165 Å²	165	153.7 Å²	153.7	85%	0.846	80%	0.804	S	S	*	*			trans	-91.3	135.7	-163.7	-69.6	160.5	0	0	0	109.4
313	F	22.6	Very low	27.3	Very low	166 Å²	166	153.4 Å²	153.4	73%	0.728	81%	0.807	S	S	*	*			trans	-68.6	137.7	171.8	-78.4	-96.4	0	0	0	111.7	Q271	Q271-F313 VanDerWaalsContact NE2-CZ 3.31Å
314	A	26.3	Very low	27.2	Very low	101 Å²	101	149.6 Å²	149.6	84%	0.835	81%	0.806	S	S	*	*			trans	-127.8	103.6	158.5	0	0	0	0	0	109.2
315	S	23.2	Very low	27.3	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	81%	0.81	S	S	*	*			trans	-69.7	126.9	166.5	59.8	0	0	0	0	110.2
316	K	28.5	Very low	27.6	Very low	201 Å²	201	150.6 Å²	150.6	87%	0.874	81%	0.809	S	S	*	*			trans	-139.7	109.6	153.4	-94.1	-175.3	177.5	177.4	0	108.8
317	G	24.6	Very low	27.7	Very low	78 Å²	78	155.2 Å²	155.2	80%	0.804	81%	0.812	S	S	*	*			trans	-66.7	142.7	165.9	0	0	0	0	0	110.2
318	I	28.4	Very low	28.3	Very low	139 Å²	139	156 Å²	156	71%	0.713	82%	0.815	S	S	*	*			trans	-127.5	109	166.4	-65.9	175.8	0	0	0	106.2	D320	I318-D320 HydrophobicContact CG2-CB 4.45Å; I318-D320 VanDerWaalsContact CG2-OD2 3.25Å; I318-D320 WeakPolarHBondContact CG2-OD2 3.43Å
319	K	25.6	Very low	29.2	Very low	199 Å²	199	161.5 Å²	161.5	87%	0.865	82%	0.822	S	S	*	*			trans	-68.9	132	152.9	-68.5	172.5	174.4	178.2	0	105.4
320	D	30.2	Very low	29.9	Very low	149 Å²	149	169.3 Å²	169.3	80%	0.797	85%	0.849	S	S	*	*			trans	-140.6	123	153	-88	-40.5	0	0	0	111.6	I318	I318-D320 HydrophobicContact CG2-CB 4.45Å; I318-D320 VanDerWaalsContact CG2-OD2 3.25Å; I318-D320 WeakPolarHBondContact CG2-OD2 3.43Å
321	T	29.3	Very low	30.2	Very low	127 Å²	127	166.4 Å²	166.4	78%	0.779	85%	0.848	S	S	*	*			trans	-78.5	151.9	179.8	34.4	0	0	0	0	111.5
322	A	26.4	Very low	30.4	Very low	98 Å²	98	165.2 Å²	165.2	81%	0.81	85%	0.849	S	S	*	*			trans	-52.1	141.7	172.6	0	0	0	0	0	114
323	V	32.4	Very low	30.6	Very low	132 Å²	132	165.2 Å²	165.2	80%	0.8	85%	0.849	S	S	*	*			trans	-141	119.7	150.2	-179.9	0	0	0	0	108.5
324	C	28.2	Very low	31.1	Very low	128 Å²	128	165.2 Å²	165.2	87%	0.865	86%	0.856	S	S	*	*			trans	-86.9	117.5	167.9	-155.7	0	0	0	0	107.1	E326	C324-E326 PolarHBondContact O-N 2.82Å
325	E	32.6	Very low	31.4	Very low	167 Å²	167	169.2 Å²	169.2	78%	0.78	86%	0.858	S	S	*	*			trans	-82.2	110	171.3	-82.2	-172.6	152.6	0	0	110
326	E	35.4	Very low	32	Very low	189 Å²	189	172.7 Å²	172.7	88%	0.883	86%	0.861	S	S	*	*			trans	-99.6	107.2	164.6	-145.4	167.5	-166.8	0	0	108.4	C324 R328	C324-E326 PolarHBondContact O-N 2.82Å; E326-R328 PolarHBondContact O-N 3.32Å
327	R	32.9	Very low	32.2	Very low	227 Å²	227	170.7 Å²	170.7	86%	0.857	86%	0.86	S	S	*	*			trans	-79.1	111.5	171	-75.8	-179.5	-178.5	-176	0.7	109.6
328	R	39.3	Very low	32.8	Very low	246 Å²	246	177.8 Å²	177.8	93%	0.928	86%	0.864	S	S	*	*			trans	-141.5	117.1	148	-77.7	-167.7	178.2	165.8	0.9	110.6	E326	E326-R328 PolarHBondContact O-N 3.32Å
329	R	43	Very low	33.2	Very low	243 Å²	243	181.1 Å²	181.1	92%	0.917	88%	0.877	S	S	*	*			trans	-91.1	120.4	159.5	-72.9	179.7	178.5	178.2	-0.9	107.1
330	H	42.7	Very low	33.9	Very low	268 Å²	268	179.5 Å²	179.5	100%	1.241	88%	0.878	S	S	*	*			trans	-165.7	0	134.3	-99.9	39.6	0	0	0	107.1

Retrieved 330 of 330 residues in 265.7 ms (Link to these results)

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