PHYIP_PONAB Loading...

Phytanoyl-CoA hydroxylase-interacting protein

Its interaction with PHYH suggests a role in the development of the central system.

AlphaFold DB , UniProt , Accession Q5R4I8, Species PONAB (Pongo abelii, Sumatran orangutan), Gene PHYHIP, Length 330 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.7	Low	87.5	Confident	182 Å²	182	79.4 Å²	79.4	90%	0.897	41%	0.411	S	S	*	.				0	116	0	-148.6	-177.2	-69.3	0	0	105.3	L3 Q94 L100	M1-L3 PolarHBondContact O-N 2.78Å; M1-Q94 PolarHBondContact SD-NE2 2.92Å; M1-L100 HydrophobicContact CG-CD2 4.45Å; M1-L100 HydrophobicContact SD-CD1 4.19Å; M1-L100 HydrophobicContact SD-CD2 4.4Å
2	E	67.9	Low	88.1	Confident	149 Å²	149	75.5 Å²	75.5	70%	0.696	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-66.1	125.6	-175.9	-74.1	172.5	174.7	0	0	109.9	R33	E2-R33 IonicContact OE2-NH1 3.77Å
3	L	82.2	Confident	88.7	Confident	153 Å²	153	73.5 Å²	73.5	80%	0.801	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-65.7	133.3	175.9	-74.1	154.3	0	0	0	108.5	M1	M1-L3 PolarHBondContact O-N 2.78Å
4	L	87.8	Confident	89	Confident	7 Å²	7	76.9 Å²	76.9	4%	0.037	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-68	133.9	170.6	-67.1	167.9	0	0	0	109.2	M26 D30 V92 L100	L4-M26 HydrophobicContact CB-CE 3.96Å; L4-M26 HydrophobicContact CD2-CE 4.21Å; L4-D30 HydrophobicContact CD2-CB 4.3Å; L4-V92 HydrophobicContact CD1-CB 4.47Å; L4-V92 HydrophobicContact CD1-CG2 3.78Å; L4-V92 HydrophobicContact CD2-CG2 3.74Å; L4-V92 HydrophobicContact CG-CG2 4.31Å; L4-L100 HydrophobicContact CD1-CG 4.23Å; L4-L100 VanDerWaalsContact CD1-O 3.29Å; L4-L100 WeakPolarHBondContact CD1-O 3.38Å; L4-L100 HydrophobicContact CG-CD2 4.31Å; L4-L100 HydrophobicContact CG-CG 4.41Å
5	S	92.2	Very high	89.3	Confident	22 Å²	22	76 Å²	76	15%	0.154	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-55.2	143.3	170.6	50.4	0	0	0	0	110.9	M26 E27 D30 S102	S5-M26 WeakPolarHBondContact O-CE 3.44Å; S5-M26 WeakPolarHBondContact OG-CG 3.5Å; S5-E27 PolarHBondContact OG-N 3.16Å; S5-D30 WeakPolarHBondContact CB-OD2 3.49Å; S5-D30 PolarHBondContact N-OD2 3.03Å; S5-D30 PolarHBondContact OG-OD2 2.81Å; S5-S102 WeakPolarHBondContact O-CB 3.21Å
6	T	93.6	Very high	89.4	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-78.6	128.6	-179.2	-62.7	0	0	0	0	109	H8 G103 W104	T6-H8 PolarHBondContact O-N 2.73Å; T6-G103 PolarHBondContact OG1-N 2.92Å; T6-W104 VanDerWaalsContact CG2-O 3.29Å; T6-W104 WeakPolarHBondContact CG2-O 3.3Å
7	P	94.4	Very high	89.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-54.9	136.4	173.6	-25.3	35.2	0	0	0	110.8	I10 W24 T90 S102 S105	P7-I10 HydrophobicContact CB-CD1 4.43Å; P7-W24 HydrophobicContact CB-CB 4.34Å; P7-W24 HydrophobicContact CB-CG 3.97Å; P7-T90 HydrophobicContact CG-CG2 3.61Å; P7-S102 WeakPolarHBondContact CD-OG 3.29Å; P7-S105 VanDerWaalsContact O-CA 3.25Å; P7-S105 WeakPolarHBondContact O-CA 3.49Å; P7-S105 WeakPolarHBondContact O-CB 3.44Å
8	H	95.4	Very high	89	Confident	94 Å²	94	66.4 Å²	66.4	44%	0.435	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	173.1	179.5	67.7	80	0	0	0	111	T6 I10 A25 E106	T6-H8 PolarHBondContact O-N 2.73Å; H8-I10 VanDerWaalsContact C-N 3.35Å; H8-A25 PolarHBondContact N-O 3.12Å; H8-A25 VanDerWaalsContact N-O 3.09Å; H8-A25 PolarHBondContact O-N 2.81Å; H8-E106 WeakPolarHBondContact CA-OE2 3.34Å
9	S	96.2	Very high	89	Confident	69 Å²	69	63.7 Å²	63.7	48%	0.483	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.4	50.5	-176.8	-53.4	0	0	0	0	111.1	E11 E106	S9-E11 PolarHBondContact O-N 2.78Å; S9-E106 VanDerWaalsContact CA-OE1 3.31Å; S9-E106 WeakPolarHBondContact CA-OE1 3.32Å; S9-E106 PolarHBondContact N-OE1 3.41Å
10	I	96.6	Very high	89.2	Confident	14 Å²	14	60.6 Å²	60.6	7%	0.072	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	122.6	-179.9	-51.6	-54.1	0	0	0	109.2	P7 H8 I12 I22 S23 W24 V88 E106 V108	P7-I10 HydrophobicContact CB-CD1 4.43Å; H8-I10 VanDerWaalsContact C-N 3.35Å; I10-I12 HydrophobicContact CG2-CG1 4.5Å; I10-I22 HydrophobicContact CG2-CD1 3.89Å; I10-I22 HydrophobicContact CG2-CG1 4.02Å; I10-S23 WeakPolarHBondContact CA-O 3.45Å; I10-W24 HydrophobicContact CD1-CB 3.36Å; I10-W24 HydrophobicContact CD1-CG 4.2Å; I10-V88 HydrophobicContact CD1-CB 4.36Å; I10-V88 HydrophobicContact CD1-CG2 4.36Å; I10-E106 HydrophobicContact CG1-CG 4.34Å; I10-E106 PolarHBondContact N-OE1 2.88Å; I10-V108 HydrophobicContact CB-CG2 3.74Å; I10-V108 HydrophobicContact CG1-CG2 4.46Å; I10-V108 HydrophobicContact CG2-CB 4.39Å; I10-V108 HydrophobicContact CG2-CG2 4.14Å
11	E	97.4	Very high	89.4	Confident	118 Å²	118	62 Å²	62	55%	0.551	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.5	176.9	-70.4	-174.9	178.1	0	0	110.4	S9 I22 S23	S9-E11 PolarHBondContact O-N 2.78Å; E11-I22 VanDerWaalsContact O-CA 3.32Å; E11-I22 WeakPolarHBondContact O-CA 3.33Å; E11-S23 PolarHBondContact N-O 2.63Å; E11-S23 PolarHBondContact O-N 3.24Å
12	I	95.2	Very high	91.2	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.5	174.8	-55.2	176.9	0	0	0	108.6	I10 I15 F20 R21 I22 V86 V108 F110	I10-I12 HydrophobicContact CG2-CG1 4.5Å; I12-I15 HydrophobicContact CG2-CD1 3.88Å; I12-I15 HydrophobicContact CG2-CG1 3.77Å; I12-F20 HydrophobicContact CG2-CB 4.03Å; I12-F20 HydrophobicContact CG2-CD2 3.97Å; I12-F20 HydrophobicContact CG2-CG 4.33Å; I12-R21 VanDerWaalsContact CA-O 3.31Å; I12-R21 WeakPolarHBondContact CA-O 3.45Å; I12-I22 HydrophobicContact CG1-CG1 4.43Å; I12-V86 HydrophobicContact CD1-CG1 3.39Å; I12-V86 HydrophobicContact CG1-CG1 4.36Å; I12-V108 HydrophobicContact CD1-CB 4.27Å; I12-V108 HydrophobicContact CD1-CG1 3.77Å; I12-V108 HydrophobicContact CG1-CG1 4.3Å; I12-F110 HydrophobicContact CD1-CB 4.16Å; I12-F110 HydrophobicContact CD1-CD1 3.38Å; I12-F110 HydrophobicContact CD1-CE1 3.99Å; I12-F110 HydrophobicContact CD1-CG 3.96Å; I12-F110 HydrophobicContact CG2-CB 4.36Å; I12-F110 HydrophobicContact CG2-CD1 4.46Å; I12-F110 HydrophobicContact CG2-CD2 4.41Å; I12-F110 HydrophobicContact CG2-CG 4.17Å
13	N	95	Very high	92.5	Very high	50 Å²	50	46.9 Å²	46.9	27%	0.267	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	179	176.7	55.6	52.9	0	0	0	111.3	I15 R21	N13-I15 PolarHBondContact O-N 2.83Å; N13-I15 VanDerWaalsContact O-N 3.13Å; N13-R21 PolarHBondContact N-O 2.94Å; N13-R21 WeakPolarHBondContact O-CB 3.48Å; N13-R21 PolarHBondContact O-N 3.32Å; N13-R21 WeakPolarHBondContact OD1-CB 3.41Å
14	N	93.7	Very high	93.1	Very high	121 Å²	121	40.5 Å²	40.5	65%	0.647	21%	0.214	S	C	*	.	S	Bend	trans	51.1	41.1	178.3	-68	67.1	0	0	0	113.3	T16 R21	N14-T16 PolarHBondContact O-N 3.41Å; N14-R21 HydrophobicContact CB-CB 4.15Å
15	I	92.8	Very high	93.5	Very high	63 Å²	63	42 Å²	42	32%	0.323	23%	0.228	S	C	.	.			trans	-72.2	125.2	-177.7	-57.8	162.1	0	0	0	109.6	I12 N13 F20 F110 C111	I12-I15 HydrophobicContact CG2-CD1 3.88Å; I12-I15 HydrophobicContact CG2-CG1 3.77Å; N13-I15 PolarHBondContact O-N 2.83Å; N13-I15 VanDerWaalsContact O-N 3.13Å; I15-F20 HydrophobicContact CG1-CB 4.04Å; I15-F110 HydrophobicContact CD1-CB 3.87Å; I15-F110 HydrophobicContact CD1-CD2 3.93Å; I15-F110 HydrophobicContact CD1-CG 4.28Å; I15-F110 HydrophobicContact CG1-CD2 4.15Å; I15-F110 HydrophobicContact CG2-CD2 4.08Å; I15-F110 HydrophobicContact CG2-CE2 4.41Å; I15-C111 WeakPolarHBondContact CG2-O 3.37Å
16	T	90.9	Very high	93.4	Very high	50 Å²	50	41.7 Å²	41.7	31%	0.307	22%	0.224	S	C	.	.			trans	-110.2	-174.2	169.6	70.1	0	0	0	0	109.5	N14 D18 S19 T112 G113	N14-T16 PolarHBondContact O-N 3.41Å; T16-D18 PolarHBondContact O-N 3.27Å; T16-D18 PolarHBondContact OG1-N 3.36Å; T16-D18 PolarHBondContact OG1-OD1 2.97Å; T16-S19 PolarHBondContact N-O 3.3Å; T16-S19 WeakPolarHBondContact OG1-CA 3.44Å; T16-S19 WeakPolarHBondContact OG1-CB 3.44Å; T16-S19 PolarHBondContact OG1-N 3.31Å; T16-S19 PolarHBondContact OG1-O 3.37Å; T16-S19 PolarHBondContact OG1-OG 2.92Å; T16-T112 WeakPolarHBondContact O-CB 3.33Å; T16-G113 PolarHBondContact O-N 3.28Å
17	C	87.4	Confident	93.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.232	C	C	.	.	S	Bend	trans	-69.7	-20.2	173.7	58.9	0	0	0	0	113.9	S79 P80 G113 D114 Y115 H119	C17-S79 CarbonylContact O-C 3.59Å; C17-P80 HydrophobicContact CB-CB 3.77Å; C17-P80 HydrophobicContact CB-CG 3.91Å; C17-G113 WeakPolarHBondContact CA-O 3.39Å; C17-G113 WeakPolarHBondContact CB-O 3.36Å; C17-D114 WeakPolarHBondContact CB-O 3.18Å; C17-Y115 HydrophobicContact CB-CD1 4.44Å; C17-H119 PolarHBondContact SG-CE1 3.06Å
18	D	85.4	Confident	92.6	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.027	27%	0.266	C	S	.	.	S	Bend	trans	-131.9	1.4	-169.9	71.6	-34.2	0	0	0	114.5	T16 R73 V328	T16-D18 PolarHBondContact O-N 3.27Å; T16-D18 PolarHBondContact OG1-N 3.36Å; T16-D18 PolarHBondContact OG1-OD1 2.97Å; D18-R73 IonicContact OD2-CZ 3.82Å; D18-R73 IonicContact OD2-NE 2.78Å; D18-R73 PolarHBondContact OD2-NE 3.33Å; D18-R73 IonicContact OD2-NH2 3.97Å; D18-R73 PolarHBondContact OD2-NH2 3.15Å; D18-V328 HydrophobicContact CB-CB 4.14Å; D18-V328 HydrophobicContact CB-CG1 3.61Å; D18-V328 WeakPolarHBondContact CB-O 3.44Å; D18-V328 VanDerWaalsContact OD2-O 3.12Å
19	S	89.1	Confident	92.2	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163	-179.3	75.4	0	0	0	0	112.5	T16 V72	T16-S19 PolarHBondContact N-O 3.3Å; T16-S19 WeakPolarHBondContact OG1-CA 3.44Å; T16-S19 WeakPolarHBondContact OG1-CB 3.44Å; T16-S19 PolarHBondContact OG1-N 3.31Å; T16-S19 PolarHBondContact OG1-O 3.37Å; T16-S19 PolarHBondContact OG1-OG 2.92Å; S19-V72 WeakPolarHBondContact CA-O 3.36Å; S19-V72 VanDerWaalsContact CB-O 3.32Å; S19-V72 WeakPolarHBondContact CB-O 3.42Å
20	F	92.5	Very high	91.8	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.2	168.4	60.9	-84.6	0	0	0	108.9	I12 I15 I22 L41 V72 L78 F110	I12-F20 HydrophobicContact CG2-CB 4.03Å; I12-F20 HydrophobicContact CG2-CD2 3.97Å; I12-F20 HydrophobicContact CG2-CG 4.33Å; I15-F20 HydrophobicContact CG1-CB 4.04Å; F20-I22 HydrophobicContact CD2-CB 4.14Å; F20-I22 HydrophobicContact CE2-CB 3.96Å; F20-I22 HydrophobicContact CE2-CD1 4.3Å; F20-I22 HydrophobicContact CE2-CG2 4.17Å; F20-L41 HydrophobicContact CE1-CD1 4.2Å; F20-L41 HydrophobicContact CE1-CD2 4.11Å; F20-L41 HydrophobicContact CZ-CD1 4.1Å; F20-L41 HydrophobicContact CZ-CD2 4.48Å; F20-V72 HydrophobicContact CD1-CB 4.11Å; F20-V72 HydrophobicContact CD1-CG1 4.36Å; F20-V72 HydrophobicContact CD2-CB 4.24Å; F20-V72 HydrophobicContact CD2-CG2 4.39Å; F20-V72 HydrophobicContact CE1-CB 3.68Å; F20-V72 HydrophobicContact CE1-CG1 3.56Å; F20-V72 HydrophobicContact CE1-CG2 4.41Å; F20-V72 HydrophobicContact CE2-CB 3.83Å; F20-V72 HydrophobicContact CE2-CG1 4.35Å; F20-V72 HydrophobicContact CE2-CG2 3.74Å; F20-V72 HydrophobicContact CG-CB 4.38Å; F20-V72 HydrophobicContact CZ-CB 3.54Å; F20-V72 HydrophobicContact CZ-CG1 3.57Å; F20-V72 HydrophobicContact CZ-CG2 3.76Å; F20-V72 PolarHBondContact N-O 3.31Å; F20-V72 VanDerWaalsContact N-O 3.13Å; F20-V72 PolarHBondContact O-N 3.14Å; F20-L78 HydrophobicContact CD1-CD1 3.78Å; F20-L78 HydrophobicContact CE1-CD1 4.01Å; F20-F110 HydrophobicContact CB-CE2 4.1Å; F20-F110 HydrophobicContact CB-CZ 4.49Å; F20-F110 HydrophobicContact CD1-CE1 4.4Å; F20-F110 AromaticContact CD1-CE2 3.68Å; F20-F110 HydrophobicContact CD1-CE2 3.68Å; F20-F110 AromaticContact CD1-CZ 3.41Å; F20-F110 HydrophobicContact CD1-CZ 3.41Å; F20-F110 VanDerWaalsContact CD1-CZ 3.41Å; F20-F110 HydrophobicContact CD2-CZ 4.28Å; F20-F110 HydrophobicContact CE1-CE1 4.3Å; F20-F110 HydrophobicContact CE1-CE2 4.26Å; F20-F110 AromaticContact CE1-CZ 3.51Å; F20-F110 HydrophobicContact CE1-CZ 3.51Å; F20-F110 HydrophobicContact CE2-CZ 4.36Å; F20-F110 AromaticContact CG-CE2 3.92Å; F20-F110 HydrophobicContact CG-CE2 3.92Å; F20-F110 AromaticContact CG-CZ 3.82Å; F20-F110 HydrophobicContact CG-CZ 3.82Å; F20-F110 HydrophobicContact CZ-CE1 4.34Å; F20-F110 AromaticContact CZ-CZ 4Å; F20-F110 HydrophobicContact CZ-CZ 4Å
21	R	94.1	Very high	91.2	Very high	90 Å²	90	49.8 Å²	49.8	34%	0.34	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.3	173.3	-161.6	-174.6	-168.4	-150	-5.2	109.3	I12 N13 N14 P69 M70	I12-R21 VanDerWaalsContact CA-O 3.31Å; I12-R21 WeakPolarHBondContact CA-O 3.45Å; N13-R21 PolarHBondContact N-O 2.94Å; N13-R21 WeakPolarHBondContact O-CB 3.48Å; N13-R21 PolarHBondContact O-N 3.32Å; N13-R21 WeakPolarHBondContact OD1-CB 3.41Å; N14-R21 HydrophobicContact CB-CB 4.15Å; R21-P69 HydrophobicContact CG-CB 3.76Å; R21-P69 VanDerWaalsContact CZ-CG 3.5Å; R21-P69 VanDerWaalsContact CZ-O 3.3Å; R21-P69 PolarHBondContact NE-O 3.46Å; R21-P69 PolarHBondContact NH2-O 2.83Å; R21-M70 CarbonylContact C-O 3.51Å; R21-M70 VanDerWaalsContact CA-O 3.31Å; R21-M70 WeakPolarHBondContact CA-O 3.02Å; R21-M70 WeakPolarHBondContact CG-O 3.23Å
22	I	94.6	Very high	90.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.1	-175.3	-170.6	169.9	0	0	0	111.4	I10 E11 I12 F20 W24 P69 M70 V72 V86 V88	I10-I22 HydrophobicContact CG2-CD1 3.89Å; I10-I22 HydrophobicContact CG2-CG1 4.02Å; E11-I22 VanDerWaalsContact O-CA 3.32Å; E11-I22 WeakPolarHBondContact O-CA 3.33Å; I12-I22 HydrophobicContact CG1-CG1 4.43Å; F20-I22 HydrophobicContact CD2-CB 4.14Å; F20-I22 HydrophobicContact CE2-CB 3.96Å; F20-I22 HydrophobicContact CE2-CD1 4.3Å; F20-I22 HydrophobicContact CE2-CG2 4.17Å; I22-W24 HydrophobicContact CG1-CE3 4.21Å; I22-W24 HydrophobicContact CG1-CZ3 4.28Å; I22-W24 HydrophobicContact CG2-CZ3 4.18Å; I22-P69 CarbonylContact O-C 3.53Å; I22-P69 VanDerWaalsContact O-CA 3.3Å; I22-P69 WeakPolarHBondContact O-CA 3.38Å; I22-M70 HydrophobicContact CG2-CG 3.66Å; I22-M70 HydrophobicContact CG2-SD 4.48Å; I22-M70 PolarHBondContact N-O 3Å; I22-M70 PolarHBondContact O-N 2.89Å; I22-V72 HydrophobicContact CG2-CG2 3.78Å; I22-V86 HydrophobicContact CD1-CG1 4.1Å; I22-V86 HydrophobicContact CD1-CG2 3.97Å; I22-V88 HydrophobicContact CD1-CG2 3.71Å
23	S	95.8	Very high	90.5	Very high	15 Å²	15	55 Å²	55	11%	0.105	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	164.9	170.5	38.4	0	0	0	0	110.6	I10 E11	I10-S23 WeakPolarHBondContact CA-O 3.45Å; E11-S23 PolarHBondContact N-O 2.63Å; E11-S23 PolarHBondContact O-N 3.24Å
24	W	96.1	Very high	90.4	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	163.7	175.3	55.8	86.1	0	0	0	109.5	P7 I10 I22 Y37 L68 M70 V88 T90	P7-W24 HydrophobicContact CB-CB 4.34Å; P7-W24 HydrophobicContact CB-CG 3.97Å; I10-W24 HydrophobicContact CD1-CB 3.36Å; I10-W24 HydrophobicContact CD1-CG 4.2Å; I22-W24 HydrophobicContact CG1-CE3 4.21Å; I22-W24 HydrophobicContact CG1-CZ3 4.28Å; I22-W24 HydrophobicContact CG2-CZ3 4.18Å; W24-Y37 HydrophobicContact CH2-CD1 4.08Å; W24-Y37 AromaticContact CH2-CD2 3.55Å; W24-Y37 HydrophobicContact CH2-CD2 3.55Å; W24-Y37 HydrophobicContact CH2-CE1 4.38Å; W24-Y37 AromaticContact CH2-CE2 3.86Å; W24-Y37 HydrophobicContact CH2-CE2 3.86Å; W24-Y37 AromaticContact CH2-CG 3.65Å; W24-Y37 HydrophobicContact CH2-CG 3.65Å; W24-Y37 AromaticContact CZ2-CD1 3.52Å; W24-Y37 HydrophobicContact CZ2-CD1 3.52Å; W24-Y37 AromaticContact CZ2-CD2 3.79Å; W24-Y37 HydrophobicContact CZ2-CD2 3.79Å; W24-Y37 AromaticContact CZ2-CE1 3.62Å; W24-Y37 HydrophobicContact CZ2-CE1 3.62Å; W24-Y37 AromaticContact CZ2-CE2 3.86Å; W24-Y37 HydrophobicContact CZ2-CE2 3.86Å; W24-Y37 AromaticContact CZ2-CG 3.6Å; W24-Y37 HydrophobicContact CZ2-CG 3.6Å; W24-Y37 AromaticContact CZ2-CZ 3.78Å; W24-L68 HydrophobicContact CD2-CD1 3.58Å; W24-L68 HydrophobicContact CD2-CD2 4.48Å; W24-L68 VanDerWaalsContact CE2-CD1 3.44Å; W24-L68 HydrophobicContact CE3-CD1 4.05Å; W24-L68 HydrophobicContact CE3-CD2 4.19Å; W24-L68 HydrophobicContact CG-CD1 3.95Å; W24-L68 HydrophobicContact CH2-CD1 4.26Å; W24-L68 HydrophobicContact CH2-CD2 3.61Å; W24-L68 HydrophobicContact CZ2-CD1 3.81Å; W24-L68 HydrophobicContact CZ2-CD2 3.93Å; W24-L68 HydrophobicContact CZ2-CG 4.41Å; W24-L68 HydrophobicContact CZ3-CD1 4.36Å; W24-L68 HydrophobicContact CZ3-CD2 3.75Å; W24-M70 HydrophobicContact CH2-SD 4.22Å; W24-V88 HydrophobicContact CD2-CG1 4Å; W24-V88 HydrophobicContact CE3-CB 4.36Å; W24-V88 HydrophobicContact CE3-CG1 3.94Å; W24-V88 HydrophobicContact CE3-CG2 3.97Å; W24-V88 HydrophobicContact CH2-CG1 3.75Å; W24-V88 HydrophobicContact CZ2-CG1 3.8Å; W24-V88 HydrophobicContact CZ3-CG1 3.83Å; W24-V88 HydrophobicContact CZ3-CG2 3.99Å; W24-T90 HydrophobicContact CZ2-CG2 4.27Å
25	A	94.6	Very high	90.3	Very high	39 Å²	39	49.9 Å²	49.9	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	149.5	170.6	0	0	0	0	0	110.7	H8	H8-A25 PolarHBondContact N-O 3.12Å; H8-A25 VanDerWaalsContact N-O 3.09Å; H8-A25 PolarHBondContact O-N 2.81Å
26	M	89.8	Confident	90.3	Very high	15 Å²	15	48 Å²	48	7%	0.074	25%	0.249	C	C	.	.			trans	-155.7	160.4	175.2	-165.8	172.1	177	0	0	107.6	L4 S5 D28 D30 L31 V34 T90	L4-M26 HydrophobicContact CB-CE 3.96Å; L4-M26 HydrophobicContact CD2-CE 4.21Å; S5-M26 WeakPolarHBondContact O-CE 3.44Å; S5-M26 WeakPolarHBondContact OG-CG 3.5Å; M26-D28 PolarHBondContact O-N 2.73Å; M26-D30 HydrophobicContact CE-CB 3.41Å; M26-D30 VanDerWaalsContact CE-CB 3.41Å; M26-D30 HydrophobicContact CG-CB 4.25Å; M26-D30 HydrophobicContact SD-CB 4.28Å; M26-L31 HydrophobicContact CB-CD1 4.33Å; M26-V34 HydrophobicContact CE-CG2 3.84Å; M26-V34 HydrophobicContact SD-CG2 3.77Å; M26-T90 WeakPolarHBondContact CE-OG1 3.34Å; M26-T90 HydrophobicContact SD-CG2 3.93Å
27	E	88.7	Confident	90.3	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	24%	0.236	S	C	*	.			trans	-61.1	133.3	174.9	-65.2	-175.2	-178.3	0	0	110.6	S5 S29 D30 L31	S5-E27 PolarHBondContact OG-N 3.16Å; E27-S29 PolarHBondContact O-N 2.82Å; E27-D30 WeakPolarHBondContact O-CA 3.38Å; E27-D30 PolarHBondContact O-N 2.7Å; E27-L31 PolarHBondContact O-N 3.34Å
28	D	84.3	Confident	90.5	Very high	135 Å²	135	47.5 Å²	47.5	72%	0.722	24%	0.242	S	C	*	.	H	α-helix	trans	-55.1	-39.8	-174.5	-69.4	-26.4	0	0	0	112.3	M26 D30 L31 E32	M26-D28 PolarHBondContact O-N 2.73Å; D28-D30 VanDerWaalsContact C-N 3.26Å; D28-D30 PolarHBondContact O-N 2.75Å; D28-L31 PolarHBondContact O-N 2.81Å; D28-E32 PolarHBondContact O-N 2.98Å
29	S	86.4	Confident	90.6	Very high	73 Å²	73	47.2 Å²	47.2	51%	0.51	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-29.8	177.1	50.5	0	0	0	0	113.6	E27 R33	E27-S29 PolarHBondContact O-N 2.82Å; S29-R33 VanDerWaalsContact O-CD 3.3Å; S29-R33 WeakPolarHBondContact O-CD 3.26Å; S29-R33 WeakPolarHBondContact O-CG 3.43Å
30	D	87.6	Confident	90.6	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-84.3	-35.8	175.8	-77.4	-23.7	0	0	0	112.1	L4 S5 M26 E27 D28 E32 R33 V34	L4-D30 HydrophobicContact CD2-CB 4.3Å; S5-D30 WeakPolarHBondContact CB-OD2 3.49Å; S5-D30 PolarHBondContact N-OD2 3.03Å; S5-D30 PolarHBondContact OG-OD2 2.81Å; M26-D30 HydrophobicContact CE-CB 3.41Å; M26-D30 VanDerWaalsContact CE-CB 3.41Å; M26-D30 HydrophobicContact CG-CB 4.25Å; M26-D30 HydrophobicContact SD-CB 4.28Å; E27-D30 WeakPolarHBondContact O-CA 3.38Å; E27-D30 PolarHBondContact O-N 2.7Å; D28-D30 VanDerWaalsContact C-N 3.26Å; D28-D30 PolarHBondContact O-N 2.75Å; D30-E32 PolarHBondContact O-N 2.83Å; D30-R33 WeakPolarHBondContact O-CA 3.29Å; D30-R33 WeakPolarHBondContact O-CB 3.41Å; D30-R33 PolarHBondContact O-N 3.19Å; D30-R33 IonicContact OD1-CZ 3.89Å; D30-R33 IonicContact OD1-NH1 3.23Å; D30-R33 PolarHBondContact OD1-NH1 3.22Å; D30-V34 WeakPolarHBondContact O-CG2 3.3Å; D30-V34 PolarHBondContact O-N 3.23Å
31	L	84.1	Confident	90.3	Very high	76 Å²	76	47.5 Å²	47.5	40%	0.398	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-37.7	-179.7	-165	116.9	0	0	0	111.8	M26 E27 D28 R33 V34	M26-L31 HydrophobicContact CB-CD1 4.33Å; E27-L31 PolarHBondContact O-N 3.34Å; D28-L31 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.49Å; L31-V34 PolarHBondContact O-N 2.88Å
32	E	86.1	Confident	89.9	Confident	175 Å²	175	46 Å²	46	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.3	174	-66.8	-174.6	170.7	0	0	113.6	D28 D30	D28-E32 PolarHBondContact O-N 2.98Å; D30-E32 PolarHBondContact O-N 2.83Å
33	R	90.9	Very high	89.4	Confident	84 Å²	84	51.4 Å²	51.4	32%	0.317	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-30	179.9	-62.6	166.4	60.2	-159.3	6	112	E2 S29 D30 L31 T35 V92	E2-R33 IonicContact OE2-NH1 3.77Å; S29-R33 VanDerWaalsContact O-CD 3.3Å; S29-R33 WeakPolarHBondContact O-CD 3.26Å; S29-R33 WeakPolarHBondContact O-CG 3.43Å; D30-R33 WeakPolarHBondContact O-CA 3.29Å; D30-R33 WeakPolarHBondContact O-CB 3.41Å; D30-R33 PolarHBondContact O-N 3.19Å; D30-R33 IonicContact OD1-CZ 3.89Å; D30-R33 IonicContact OD1-NH1 3.23Å; D30-R33 PolarHBondContact OD1-NH1 3.22Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.49Å; R33-T35 PolarHBondContact O-N 2.81Å; R33-V92 HydrophobicContact CB-CG2 4.07Å; R33-V92 VanDerWaalsContact O-CG2 3.31Å; R33-V92 WeakPolarHBondContact O-CG2 3.47Å
34	V	92.9	Very high	88.7	Confident	12 Å²	12	55 Å²	55	7%	0.073	28%	0.277	C	S	.	.			trans	-60.6	127.4	-175	179.8	0	0	0	0	110.6	M26 D30 L31 H36 Y37 A65 T90	M26-V34 HydrophobicContact CE-CG2 3.84Å; M26-V34 HydrophobicContact SD-CG2 3.77Å; D30-V34 WeakPolarHBondContact O-CG2 3.3Å; D30-V34 PolarHBondContact O-N 3.23Å; L31-V34 PolarHBondContact O-N 2.88Å; V34-H36 VanDerWaalsContact CG1-O 3.26Å; V34-H36 WeakPolarHBondContact CG1-O 3.36Å; V34-Y37 HydrophobicContact CB-CE1 4.42Å; V34-Y37 HydrophobicContact CG1-CD1 3.71Å; V34-Y37 HydrophobicContact CG1-CE1 3.49Å; V34-Y37 VanDerWaalsContact CG1-CE1 3.49Å; V34-A65 HydrophobicContact CG1-CB 4.2Å; V34-A65 WeakPolarHBondContact O-CB 3.06Å; V34-T90 HydrophobicContact CG1-CG2 4.14Å; V34-T90 HydrophobicContact CG2-CG2 4.24Å
35	T	93.2	Very high	87.2	Confident	53 Å²	53	60.7 Å²	60.7	33%	0.325	30%	0.304	S	S	.	.			trans	-109.7	-19.9	176.8	64.6	0	0	0	0	113.2	R33 A65 A91 K93	R33-T35 PolarHBondContact O-N 2.81Å; T35-A65 VanDerWaalsContact C-CB 3.43Å; T35-A65 WeakPolarHBondContact O-CB 3.41Å; T35-A65 PolarHBondContact O-N 3.16Å; T35-A91 PolarHBondContact N-O 3.02Å; T35-K93 WeakPolarHBondContact OG1-CB 3.33Å; T35-K93 PolarHBondContact OG1-N 3.16Å
36	H	92.6	Very high	85.3	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.102	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.2	-179.3	-63.8	73.2	0	0	0	112.6	V34 V62 A63 A91 Y99	V34-H36 VanDerWaalsContact CG1-O 3.26Å; V34-H36 WeakPolarHBondContact CG1-O 3.36Å; H36-V62 HydrophobicContact CB-CG1 4.35Å; H36-A63 CarbonylContact C-O 3.53Å; H36-A63 WeakPolarHBondContact CA-O 3.42Å; H36-A63 WeakPolarHBondContact CB-O 3.17Å; H36-A91 HydrophobicContact CB-CB 4.46Å; H36-A91 PolarHBondContact N-O 2.97Å; H36-A91 PolarHBondContact O-N 3.33Å; H36-Y99 HydrophobicContact CB-CE1 4.11Å; H36-Y99 AromaticContact CG-CE1 3.7Å; H36-Y99 AromaticContact ND1-CE1 3.54Å
37	Y	91.3	Very high	83.2	Confident	11 Å²	11	75.7 Å²	75.7	4%	0.043	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.2	171.4	-49.4	-36.2	0	0	0	109.1	W24 V34 L61 V62 A63 A65 V66 L68 M70 T90	W24-Y37 HydrophobicContact CH2-CD1 4.08Å; W24-Y37 AromaticContact CH2-CD2 3.55Å; W24-Y37 HydrophobicContact CH2-CD2 3.55Å; W24-Y37 HydrophobicContact CH2-CE1 4.38Å; W24-Y37 AromaticContact CH2-CE2 3.86Å; W24-Y37 HydrophobicContact CH2-CE2 3.86Å; W24-Y37 AromaticContact CH2-CG 3.65Å; W24-Y37 HydrophobicContact CH2-CG 3.65Å; W24-Y37 AromaticContact CZ2-CD1 3.52Å; W24-Y37 HydrophobicContact CZ2-CD1 3.52Å; W24-Y37 AromaticContact CZ2-CD2 3.79Å; W24-Y37 HydrophobicContact CZ2-CD2 3.79Å; W24-Y37 AromaticContact CZ2-CE1 3.62Å; W24-Y37 HydrophobicContact CZ2-CE1 3.62Å; W24-Y37 AromaticContact CZ2-CE2 3.86Å; W24-Y37 HydrophobicContact CZ2-CE2 3.86Å; W24-Y37 AromaticContact CZ2-CG 3.6Å; W24-Y37 HydrophobicContact CZ2-CG 3.6Å; W24-Y37 AromaticContact CZ2-CZ 3.78Å; V34-Y37 HydrophobicContact CB-CE1 4.42Å; V34-Y37 HydrophobicContact CG1-CD1 3.71Å; V34-Y37 HydrophobicContact CG1-CE1 3.49Å; V34-Y37 VanDerWaalsContact CG1-CE1 3.49Å; Y37-L61 VanDerWaalsContact O-O 3.13Å; Y37-V62 WeakPolarHBondContact O-CA 3.32Å; Y37-A63 PolarHBondContact N-O 3.02Å; Y37-A63 PolarHBondContact O-N 3.16Å; Y37-A65 HydrophobicContact CD1-CB 4.33Å; Y37-A65 HydrophobicContact CE1-CB 3.72Å; Y37-A65 HydrophobicContact CE2-CB 4.29Å; Y37-V66 HydrophobicContact CE2-CG2 4.22Å; Y37-V66 WeakPolarHBondContact CE2-O 3.36Å; Y37-V66 PolarHBondContact OH-O 3.09Å; Y37-L68 HydrophobicContact CE2-CD2 4.01Å; Y37-M70 HydrophobicContact CD2-SD 3.61Å; Y37-M70 HydrophobicContact CE2-SD 4Å; Y37-T90 HydrophobicContact CD1-CG2 4.02Å; Y37-T90 HydrophobicContact CE1-CG2 4.36Å
38	F	89.5	Confident	81.1	Confident	30 Å²	30	77.4 Å²	77.4	13%	0.132	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110	168	-71.2	-95.9	0	0	0	107.4	L61 V62 V88 Q89 A91 Y99 V101 W104	F38-L61 WeakPolarHBondContact CA-O 3.34Å; F38-V62 HydrophobicContact CD1-CG2 3.73Å; F38-V62 HydrophobicContact CE1-CB 4.39Å; F38-V62 HydrophobicContact CE1-CG1 4.21Å; F38-V62 HydrophobicContact CE1-CG2 3.39Å; F38-V62 HydrophobicContact CE2-CG1 4.49Å; F38-V62 HydrophobicContact CZ-CG1 4.08Å; F38-V62 HydrophobicContact CZ-CG2 4.09Å; F38-V88 WeakPolarHBondContact O-CA 2.93Å; F38-Q89 HydrophobicContact CB-CB 4.06Å; F38-Q89 PolarHBondContact N-O 2.87Å; F38-Q89 PolarHBondContact O-N 3.01Å; F38-A91 HydrophobicContact CD2-CB 3.81Å; F38-A91 HydrophobicContact CE2-CB 3.44Å; F38-A91 VanDerWaalsContact CE2-CB 3.44Å; F38-Y99 HydrophobicContact CE2-CD1 4.28Å; F38-Y99 HydrophobicContact CE2-CG 4.44Å; F38-Y99 HydrophobicContact CZ-CD1 4.48Å; F38-Y99 HydrophobicContact CZ-CD2 4.43Å; F38-Y99 HydrophobicContact CZ-CG 4.34Å; F38-V101 HydrophobicContact CE2-CG1 4.48Å; F38-W104 HydrophobicContact CB-CH2 4.14Å
39	I	89.2	Confident	79.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.4	177	-58	173.9	0	0	0	106.6	K60 L61 M70 V72 W76 V86 V88	I39-K60 WeakPolarHBondContact O-CA 3.48Å; I39-L61 HydrophobicContact CD1-CD2 4.28Å; I39-L61 PolarHBondContact N-O 3.34Å; I39-L61 PolarHBondContact O-N 2.85Å; I39-M70 HydrophobicContact CD1-CE 4.25Å; I39-M70 HydrophobicContact CD1-SD 3.99Å; I39-V72 HydrophobicContact CD1-CG2 4.12Å; I39-W76 HydrophobicContact CB-CZ2 4.06Å; I39-W76 HydrophobicContact CG2-CH2 4.44Å; I39-W76 HydrophobicContact CG2-CZ2 3.96Å; I39-W76 VanDerWaalsContact O-CH2 3.23Å; I39-W76 WeakPolarHBondContact O-CH2 3.47Å; I39-V86 HydrophobicContact CG2-CG2 3.56Å; I39-V88 HydrophobicContact CG1-CG2 4.44Å
40	D	88.1	Confident	77	Confident	14 Å²	14	76.9 Å²	76.9	8%	0.075	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.1	172.3	-172.7	23.1	0	0	0	108.4	N42 K60 V86 A87 W104	D40-N42 VanDerWaalsContact CG-ND2 3.29Å; D40-N42 PolarHBondContact OD1-ND2 3.41Å; D40-N42 VanDerWaalsContact OD1-ND2 3.09Å; D40-N42 PolarHBondContact OD2-ND2 2.87Å; D40-K60 HydrophobicContact CB-CG 4.5Å; D40-V86 CarbonylContact O-C 3.56Å; D40-V86 VanDerWaalsContact O-CA 3.26Å; D40-V86 WeakPolarHBondContact O-CA 3.22Å; D40-A87 PolarHBondContact N-O 3.35Å; D40-A87 PolarHBondContact O-N 2.8Å; D40-W104 HydrophobicContact CB-CE3 4.47Å; D40-W104 HydrophobicContact CB-CH2 3.72Å; D40-W104 HydrophobicContact CB-CZ3 3.61Å
41	L	87.3	Confident	74.8	Confident	6 Å²	6	85.1 Å²	85.1	3%	0.031	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.2	-179.5	-175.3	75.1	0	0	0	108.6	F20 T59 W76 L78 Y84 S85 V86 F110	F20-L41 HydrophobicContact CE1-CD1 4.2Å; F20-L41 HydrophobicContact CE1-CD2 4.11Å; F20-L41 HydrophobicContact CZ-CD1 4.1Å; F20-L41 HydrophobicContact CZ-CD2 4.48Å; L41-T59 PolarHBondContact O-OG1 3.04Å; L41-W76 HydrophobicContact CB-CD2 4.32Å; L41-W76 HydrophobicContact CB-CE3 3.72Å; L41-W76 HydrophobicContact CB-CH2 3.47Å; L41-W76 VanDerWaalsContact CB-CH2 3.47Å; L41-W76 HydrophobicContact CB-CZ2 4.13Å; L41-W76 HydrophobicContact CB-CZ3 3.27Å; L41-W76 HydrophobicContact CD2-CB 4.1Å; L41-W76 HydrophobicContact CD2-CD2 3.77Å; L41-W76 HydrophobicContact CD2-CE3 3.59Å; L41-W76 HydrophobicContact CD2-CG 4.04Å; L41-W76 HydrophobicContact CD2-CZ3 4.09Å; L41-W76 HydrophobicContact CG-CE3 4.26Å; L41-W76 HydrophobicContact CG-CZ3 4.27Å; L41-L78 HydrophobicContact CD2-CD2 3.73Å; L41-Y84 HydrophobicContact CD1-CD1 4.21Å; L41-Y84 HydrophobicContact CD1-CG 4.29Å; L41-Y84 HydrophobicContact CD2-CD1 4.23Å; L41-Y84 HydrophobicContact CG-CD1 3.93Å; L41-Y84 HydrophobicContact CG-CG 4.48Å; L41-S85 WeakPolarHBondContact CA-O 3.46Å; L41-V86 HydrophobicContact CD1-CB 3.89Å; L41-V86 HydrophobicContact CD1-CG2 4.17Å; L41-F110 HydrophobicContact CD1-CE1 3.67Å; L41-F110 HydrophobicContact CD1-CZ 3.85Å
42	N	85.5	Confident	72.7	Confident	58 Å²	58	86.6 Å²	86.6	31%	0.31	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	-177.7	-68.4	-75.1	0	0	0	109.9	D40 Y84 S85	D40-N42 VanDerWaalsContact CG-ND2 3.29Å; D40-N42 PolarHBondContact OD1-ND2 3.41Å; D40-N42 VanDerWaalsContact OD1-ND2 3.09Å; D40-N42 PolarHBondContact OD2-ND2 2.87Å; N42-Y84 CarbonylContact O-C 3.44Å; N42-Y84 VanDerWaalsContact O-CA 3.28Å; N42-Y84 WeakPolarHBondContact O-CA 3.24Å; N42-S85 PolarHBondContact N-O 3.33Å; N42-S85 PolarHBondContact O-N 2.86Å; N42-S85 PolarHBondContact O-OG 2.88Å
43	K	83.8	Confident	70.6	Confident	115 Å²	115	84.5 Å²	84.5	50%	0.5	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.4	168.9	-178.8	170.4	178.3	166.1	0	108.1	E45 T82 Y84	K43-E45 PolarHBondContact O-N 3.43Å; K43-T82 HydrophobicContact CD-CG2 3.82Å; K43-T82 VanDerWaalsContact CE-CG2 3.49Å; K43-T82 HydrophobicContact CG-CG2 3.7Å; K43-Y84 HydrophobicContact CB-CD1 4.09Å; K43-Y84 HydrophobicContact CB-CE1 3.71Å; K43-Y84 HydrophobicContact CG-CE1 4.26Å
44	K	80.4	Confident	68	Low	89 Å²	89	86.7 Å²	86.7	39%	0.387	42%	0.419	S	S	.	.			trans	-71.8	106.5	178.5	-161.2	171.5	-178.7	169.4	0	109.1	E83 E109	K44-E83 HydrophobicContact CB-CB 4.08Å; K44-E83 HydrophobicContact CD-CB 4.38Å; K44-E83 WeakPolarHBondContact CD-OE2 3.46Å; K44-E83 PolarHBondContact N-O 3.29Å; K44-E83 IonicContact NZ-OE2 2.66Å; K44-E109 VanDerWaalsContact NZ-CD 3.25Å; K44-E109 IonicContact NZ-OE1 2.77Å; K44-E109 PolarHBondContact NZ-OE1 3.23Å; K44-E109 IonicContact NZ-OE2 3.5Å; K44-E109 PolarHBondContact NZ-OE2 2.93Å
45	E	66	Low	65.2	Low	138 Å²	138	97.4 Å²	97.4	65%	0.645	46%	0.458	S	S	*	.			trans	-80	144.5	168.8	-66.2	-169.8	164.1	0	0	109.6	K43 K47	K43-E45 PolarHBondContact O-N 3.43Å; E45-K47 PolarHBondContact O-N 2.91Å
46	N	53.2	Low	62.4	Low	162 Å²	162	99.5 Å²	99.5	87%	0.866	47%	0.467	S	S	*	.	S	Bend	trans	-45.2	108.8	-177.7	-88.2	-35.7	0	0	0	112.8	N48	N46-N48 PolarHBondContact O-N 3.2Å
47	K	47	Very low	59.6	Low	208 Å²	208	104.5 Å²	104.5	90%	0.904	50%	0.499	S	S	*	.	S	Bend	trans	43.5	-7.1	160.4	-74.9	-172.8	175.9	179.8	0	121.6	E45	E45-K47 PolarHBondContact O-N 2.91Å
48	N	44.8	Very low	57.1	Low	157 Å²	157	106.3 Å²	106.3	84%	0.84	51%	0.512	S	S	*	.	S	Bend	trans	-113.6	8.5	-172.8	-82.2	-7.9	0	0	0	115.7	N46	N46-N48 PolarHBondContact O-N 3.2Å
49	S	42.9	Very low	55.2	Low	50 Å²	50	108.7 Å²	108.7	35%	0.35	53%	0.529	S	S	.	.			trans	-142.5	59.5	-176.6	61.5	0	0	0	0	114	K51	S49-K51 PolarHBondContact O-N 3.2Å
50	N	40.1	Very low	53.9	Low	148 Å²	148	112.3 Å²	112.3	79%	0.791	55%	0.545	S	S	*	.			trans	-72.7	8.4	152.8	-87.6	7.8	0	0	0	112.3	F52	N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 2.85Å
51	K	41.7	Very low	52.9	Low	179 Å²	179	113.2 Å²	113.2	78%	0.778	55%	0.549	S	S	*	.	S	Bend	trans	-75.9	87.7	166.4	-69.2	-172.9	180	-179.5	0	107.2	S49 K53	S49-K51 PolarHBondContact O-N 3.2Å; K51-K53 PolarHBondContact O-N 3.12Å
52	F	41.2	Very low	52.2	Low	108 Å²	108	116.3 Å²	116.3	47%	0.474	57%	0.569	S	S	.	*			trans	-39.6	104.6	164.1	-81.3	-92.4	0	0	0	108.5	N50 H54	N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 2.85Å; F52-H54 PolarHBondContact O-N 3.35Å
53	K	39.9	Very low	52.1	Low	130 Å²	130	114.3 Å²	114.3	57%	0.565	56%	0.56	S	S	*	*			trans	-78.2	80.5	178.6	-69.7	-168.7	173.5	-171.1	0	107.3	K51 R55 D56	K51-K53 PolarHBondContact O-N 3.12Å; K53-R55 PolarHBondContact O-N 2.96Å; K53-D56 HydrophobicContact CB-CB 4.24Å; K53-D56 HydrophobicContact CD-CB 3.9Å; K53-D56 WeakPolarHBondContact CD-OD2 3.5Å; K53-D56 WeakPolarHBondContact CE-OD2 3.46Å; K53-D56 IonicContact NZ-OD2 3.66Å; K53-D56 PolarHBondContact NZ-OD2 2.88Å; K53-D56 PolarHBondContact O-N 3.21Å
54	H	37.2	Very low	52.3	Low	130 Å²	130	116.4 Å²	116.4	60%	0.602	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	2.2	166.5	-79.1	-60.6	0	0	0	113.5	F52	F52-H54 PolarHBondContact O-N 3.35Å
55	R	33.5	Very low	52.7	Low	238 Å²	238	113.8 Å²	113.8	90%	0.898	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-17.8	-176.7	-79.6	-173.3	166.8	-172.5	-3.6	116.3	K53	K53-R55 PolarHBondContact O-N 2.96Å
56	D	35.8	Very low	53.9	Low	97 Å²	97	110.2 Å²	110.2	52%	0.519	55%	0.551	S	S	.	*	S	Bend	trans	-108	96.8	177.9	-68	-12.7	0	0	0	107.1	K53	K53-D56 HydrophobicContact CB-CB 4.24Å; K53-D56 HydrophobicContact CD-CB 3.9Å; K53-D56 WeakPolarHBondContact CD-OD2 3.5Å; K53-D56 WeakPolarHBondContact CE-OD2 3.46Å; K53-D56 IonicContact NZ-OD2 3.66Å; K53-D56 PolarHBondContact NZ-OD2 2.88Å; K53-D56 PolarHBondContact O-N 3.21Å
57	V	32.2	Very low	55.7	Low	127 Å²	127	108.2 Å²	108.2	77%	0.77	55%	0.547	S	S	*	.			trans	23.9	87.8	174.5	-168.5	0	0	0	0	112.8	T59	V57-T59 PolarHBondContact O-N 3.17Å
58	P	39	Very low	57.9	Low	49 Å²	49	100.5 Å²	100.5	32%	0.318	52%	0.516	S	S	.	.			trans	-53.6	117.4	165.8	-15.5	27.8	0	0	0	105.8	K60	P58-K60 HydrophobicContact CB-CB 4.06Å; P58-K60 HydrophobicContact CB-CD 3.47Å; P58-K60 VanDerWaalsContact CB-CD 3.47Å; P58-K60 HydrophobicContact CB-CG 3.42Å; P58-K60 VanDerWaalsContact CB-CG 3.42Å; P58-K60 HydrophobicContact CG-CD 4.04Å; P58-K60 HydrophobicContact CG-CG 4.5Å; P58-K60 PolarHBondContact O-N 3.3Å
59	T	50.8	Low	60.3	Low	79 Å²	79	94.8 Å²	94.8	49%	0.485	49%	0.487	S	S	.	.			trans	-67.7	77.3	156.8	28.5	0	0	0	0	104.4	L41 V57 W76	L41-T59 PolarHBondContact O-OG1 3.04Å; V57-T59 PolarHBondContact O-N 3.17Å; T59-W76 VanDerWaalsContact CB-CZ3 3.44Å; T59-W76 HydrophobicContact CG2-CZ3 4.49Å; T59-W76 WeakPolarHBondContact O-CH2 3.45Å; T59-W76 WeakPolarHBondContact O-CZ3 3.44Å
60	K	61.4	Low	62.6	Low	77 Å²	77	93.3 Å²	93.3	34%	0.335	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	106	172.1	-84.3	171.4	-173.3	-173.2	0	104.6	I39 D40 P58 V62 W104	I39-K60 WeakPolarHBondContact O-CA 3.48Å; D40-K60 HydrophobicContact CB-CG 4.5Å; P58-K60 HydrophobicContact CB-CB 4.06Å; P58-K60 HydrophobicContact CB-CD 3.47Å; P58-K60 VanDerWaalsContact CB-CD 3.47Å; P58-K60 HydrophobicContact CB-CG 3.42Å; P58-K60 VanDerWaalsContact CB-CG 3.42Å; P58-K60 HydrophobicContact CG-CD 4.04Å; P58-K60 HydrophobicContact CG-CG 4.5Å; P58-K60 PolarHBondContact O-N 3.3Å; K60-V62 PolarHBondContact O-N 2.86Å; K60-W104 HydrophobicContact CG-CH2 4.49Å
61	L	67.9	Low	65	Low	32 Å²	32	90.4 Å²	90.4	17%	0.168	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.3	168.5	-177.4	108.1	0	0	0	107.4	Y37 F38 I39 A63 H75 W76	Y37-L61 VanDerWaalsContact O-O 3.13Å; F38-L61 WeakPolarHBondContact CA-O 3.34Å; I39-L61 HydrophobicContact CD1-CD2 4.28Å; I39-L61 PolarHBondContact N-O 3.34Å; I39-L61 PolarHBondContact O-N 2.85Å; L61-A63 HydrophobicContact CD2-CB 3.7Å; L61-H75 HydrophobicContact CD1-CB 3.84Å; L61-W76 HydrophobicContact CB-CH2 3.95Å; L61-W76 HydrophobicContact CB-CZ2 3.13Å; L61-W76 HydrophobicContact CG-CZ2 4.26Å
62	V	71.5	Confident	67.1	Low	72 Å²	72	82 Å²	82	44%	0.436	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	101	165	-171.2	0	0	0	0	106.6	H36 Y37 F38 K60	H36-V62 HydrophobicContact CB-CG1 4.35Å; Y37-V62 WeakPolarHBondContact O-CA 3.32Å; F38-V62 HydrophobicContact CD1-CG2 3.73Å; F38-V62 HydrophobicContact CE1-CB 4.39Å; F38-V62 HydrophobicContact CE1-CG1 4.21Å; F38-V62 HydrophobicContact CE1-CG2 3.39Å; F38-V62 HydrophobicContact CE2-CG1 4.49Å; F38-V62 HydrophobicContact CZ-CG1 4.08Å; F38-V62 HydrophobicContact CZ-CG2 4.09Å; K60-V62 PolarHBondContact O-N 2.86Å
63	A	82.6	Confident	68.8	Low	15 Å²	15	83.8 Å²	83.8	12%	0.124	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.3	171.1	0	0	0	0	0	109.5	H36 Y37 L61 M70	H36-A63 CarbonylContact C-O 3.53Å; H36-A63 WeakPolarHBondContact CA-O 3.42Å; H36-A63 WeakPolarHBondContact CB-O 3.17Å; Y37-A63 PolarHBondContact N-O 3.02Å; Y37-A63 PolarHBondContact O-N 3.16Å; L61-A63 HydrophobicContact CD2-CB 3.7Å; A63-M70 HydrophobicContact CB-CE 4.15Å
64	K	88.4	Confident	69.9	Low	159 Å²	159	78.7 Å²	78.7	69%	0.691	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	142.1	158.9	-73.9	-174.2	177.4	-178.5	0	108.5	V66	K64-V66 PolarHBondContact O-N 3.02Å
65	A	90.1	Very high	70.8	Confident	35 Å²	35	79.7 Å²	79.7	29%	0.289	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-57.8	129.1	176.4	0	0	0	0	0	109.5	V34 T35 Y37	V34-A65 HydrophobicContact CG1-CB 4.2Å; V34-A65 WeakPolarHBondContact O-CB 3.06Å; T35-A65 VanDerWaalsContact C-CB 3.43Å; T35-A65 WeakPolarHBondContact O-CB 3.41Å; T35-A65 PolarHBondContact O-N 3.16Å; Y37-A65 HydrophobicContact CD1-CB 4.33Å; Y37-A65 HydrophobicContact CE1-CB 3.72Å; Y37-A65 HydrophobicContact CE2-CB 4.29Å
66	V	90.9	Very high	72	Confident	62 Å²	62	69.3 Å²	69.3	38%	0.376	38%	0.38	S	S	.	.			trans	-132	159.1	176.6	-67.4	0	0	0	0	108.4	Y37 K64 L68 M70	Y37-V66 HydrophobicContact CE2-CG2 4.22Å; Y37-V66 WeakPolarHBondContact CE2-O 3.36Å; Y37-V66 PolarHBondContact OH-O 3.09Å; K64-V66 PolarHBondContact O-N 3.02Å; V66-L68 PolarHBondContact O-N 2.72Å; V66-M70 HydrophobicContact CG2-CB 3.76Å; V66-M70 HydrophobicContact CG2-CE 4.14Å; V66-M70 HydrophobicContact CG2-SD 4.16Å
67	P	91	Very high	73.6	Confident	120 Å²	120	73.6 Å²	73.6	78%	0.779	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-55.2	136	174.9	-26.4	35.6	0	0	0	111.9
68	L	92.8	Very high	75.9	Confident	46 Å²	46	68 Å²	68	24%	0.241	36%	0.359	C	S	.	.	S	Bend	trans	-87.7	151.6	173.8	-60.9	177.8	0	0	0	110.3	W24 Y37 V66 M70	W24-L68 HydrophobicContact CD2-CD1 3.58Å; W24-L68 HydrophobicContact CD2-CD2 4.48Å; W24-L68 VanDerWaalsContact CE2-CD1 3.44Å; W24-L68 HydrophobicContact CE3-CD1 4.05Å; W24-L68 HydrophobicContact CE3-CD2 4.19Å; W24-L68 HydrophobicContact CG-CD1 3.95Å; W24-L68 HydrophobicContact CH2-CD1 4.26Å; W24-L68 HydrophobicContact CH2-CD2 3.61Å; W24-L68 HydrophobicContact CZ2-CD1 3.81Å; W24-L68 HydrophobicContact CZ2-CD2 3.93Å; W24-L68 HydrophobicContact CZ2-CG 4.41Å; W24-L68 HydrophobicContact CZ3-CD1 4.36Å; W24-L68 HydrophobicContact CZ3-CD2 3.75Å; Y37-L68 HydrophobicContact CE2-CD2 4.01Å; V66-L68 PolarHBondContact O-N 2.72Å; L68-M70 HydrophobicContact CD2-CB 4.18Å; L68-M70 HydrophobicContact CD2-CG 3.95Å; L68-M70 HydrophobicContact CD2-SD 4.36Å
69	P	94.5	Very high	78	Confident	38 Å²	38	67.4 Å²	67.4	25%	0.247	36%	0.357	C	S	.	.	S	Bend	cis	-74.8	139.3	-4.3	-4.7	16.3	0	0	0	112.6	R21 I22	R21-P69 HydrophobicContact CG-CB 3.76Å; R21-P69 VanDerWaalsContact CZ-CG 3.5Å; R21-P69 VanDerWaalsContact CZ-O 3.3Å; R21-P69 PolarHBondContact NE-O 3.46Å; R21-P69 PolarHBondContact NH2-O 2.83Å; I22-P69 CarbonylContact O-C 3.53Å; I22-P69 VanDerWaalsContact O-CA 3.3Å; I22-P69 WeakPolarHBondContact O-CA 3.38Å
70	M	91.9	Very high	79.7	Confident	19 Å²	19	64.1 Å²	64.1	9%	0.094	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.7	-179.2	70.1	175.4	-68.6	0	0	111.9	R21 I22 W24 Y37 I39 A63 V66 L68	R21-M70 CarbonylContact C-O 3.51Å; R21-M70 VanDerWaalsContact CA-O 3.31Å; R21-M70 WeakPolarHBondContact CA-O 3.02Å; R21-M70 WeakPolarHBondContact CG-O 3.23Å; I22-M70 HydrophobicContact CG2-CG 3.66Å; I22-M70 HydrophobicContact CG2-SD 4.48Å; I22-M70 PolarHBondContact N-O 3Å; I22-M70 PolarHBondContact O-N 2.89Å; W24-M70 HydrophobicContact CH2-SD 4.22Å; Y37-M70 HydrophobicContact CD2-SD 3.61Å; Y37-M70 HydrophobicContact CE2-SD 4Å; I39-M70 HydrophobicContact CD1-CE 4.25Å; I39-M70 HydrophobicContact CD1-SD 3.99Å; A63-M70 HydrophobicContact CB-CE 4.15Å; V66-M70 HydrophobicContact CG2-CB 3.76Å; V66-M70 HydrophobicContact CG2-CE 4.14Å; V66-M70 HydrophobicContact CG2-SD 4.16Å; L68-M70 HydrophobicContact CD2-CB 4.18Å; L68-M70 HydrophobicContact CD2-CG 3.95Å; L68-M70 HydrophobicContact CD2-SD 4.36Å
71	T	90.3	Very high	81	Confident	86 Å²	86	63.1 Å²	63.1	53%	0.528	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.2	174.6	-58.2	0	0	0	0	110.3	R73	T71-R73 HydrophobicContact CG2-CB 4.31Å
72	V	86.3	Confident	81.9	Confident	4 Å²	4	62 Å²	62	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110	172.8	-179.4	0	0	0	0	108	S19 F20 I22 I39 W76	S19-V72 WeakPolarHBondContact CA-O 3.36Å; S19-V72 VanDerWaalsContact CB-O 3.32Å; S19-V72 WeakPolarHBondContact CB-O 3.42Å; F20-V72 HydrophobicContact CD1-CB 4.11Å; F20-V72 HydrophobicContact CD1-CG1 4.36Å; F20-V72 HydrophobicContact CD2-CB 4.24Å; F20-V72 HydrophobicContact CD2-CG2 4.39Å; F20-V72 HydrophobicContact CE1-CB 3.68Å; F20-V72 HydrophobicContact CE1-CG1 3.56Å; F20-V72 HydrophobicContact CE1-CG2 4.41Å; F20-V72 HydrophobicContact CE2-CB 3.83Å; F20-V72 HydrophobicContact CE2-CG1 4.35Å; F20-V72 HydrophobicContact CE2-CG2 3.74Å; F20-V72 HydrophobicContact CG-CB 4.38Å; F20-V72 HydrophobicContact CZ-CB 3.54Å; F20-V72 HydrophobicContact CZ-CG1 3.57Å; F20-V72 HydrophobicContact CZ-CG2 3.76Å; F20-V72 PolarHBondContact N-O 3.31Å; F20-V72 VanDerWaalsContact N-O 3.13Å; F20-V72 PolarHBondContact O-N 3.14Å; I22-V72 HydrophobicContact CG2-CG2 3.78Å; I39-V72 HydrophobicContact CD1-CG2 4.12Å; V72-W76 HydrophobicContact CG1-CG 3.94Å
73	R	77.4	Confident	82.9	Confident	145 Å²	145	63.7 Å²	63.7	55%	0.547	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.4	-179	-173.1	173.3	-169.8	-159.9	4.2	111.5	D18 T71 H75	D18-R73 IonicContact OD2-CZ 3.82Å; D18-R73 IonicContact OD2-NE 2.78Å; D18-R73 PolarHBondContact OD2-NE 3.33Å; D18-R73 IonicContact OD2-NH2 3.97Å; D18-R73 PolarHBondContact OD2-NH2 3.15Å; T71-R73 HydrophobicContact CG2-CB 4.31Å; R73-H75 PolarHBondContact O-N 3.14Å
74	G	61.5	Low	83.2	Confident	22 Å²	22	63.6 Å²	63.6	23%	0.227	33%	0.325	C	S	.	.	S	Bend	trans	76	-52.2	161.1	0	0	0	0	0	115	W76 G329	G74-W76 PolarHBondContact O-N 3.09Å; G74-G329 CarbonylContact C-O 3.52Å; G74-G329 VanDerWaalsContact CA-O 3.26Å; G74-G329 WeakPolarHBondContact CA-O 3.37Å
75	H	56.4	Low	83.4	Confident	151 Å²	151	57 Å²	57	70%	0.699	30%	0.299	S	S	*	.	S	Bend	trans	-71.1	-20.8	-179.7	-141.7	-64.4	0	0	0	113.3	L61 R73	L61-H75 HydrophobicContact CD1-CB 3.84Å; R73-H75 PolarHBondContact O-N 3.14Å
76	W	59.5	Low	83.4	Confident	20 Å²	20	55.4 Å²	55.4	8%	0.076	29%	0.286	C	S	.	.	S	Bend	trans	-103.4	116.9	173.5	-56.9	90.2	0	0	0	106.5	I39 L41 T59 L61 V72 G74 L78	I39-W76 HydrophobicContact CB-CZ2 4.06Å; I39-W76 HydrophobicContact CG2-CH2 4.44Å; I39-W76 HydrophobicContact CG2-CZ2 3.96Å; I39-W76 VanDerWaalsContact O-CH2 3.23Å; I39-W76 WeakPolarHBondContact O-CH2 3.47Å; L41-W76 HydrophobicContact CB-CD2 4.32Å; L41-W76 HydrophobicContact CB-CE3 3.72Å; L41-W76 HydrophobicContact CB-CH2 3.47Å; L41-W76 VanDerWaalsContact CB-CH2 3.47Å; L41-W76 HydrophobicContact CB-CZ2 4.13Å; L41-W76 HydrophobicContact CB-CZ3 3.27Å; L41-W76 HydrophobicContact CD2-CB 4.1Å; L41-W76 HydrophobicContact CD2-CD2 3.77Å; L41-W76 HydrophobicContact CD2-CE3 3.59Å; L41-W76 HydrophobicContact CD2-CG 4.04Å; L41-W76 HydrophobicContact CD2-CZ3 4.09Å; L41-W76 HydrophobicContact CG-CE3 4.26Å; L41-W76 HydrophobicContact CG-CZ3 4.27Å; T59-W76 VanDerWaalsContact CB-CZ3 3.44Å; T59-W76 HydrophobicContact CG2-CZ3 4.49Å; T59-W76 WeakPolarHBondContact O-CH2 3.45Å; T59-W76 WeakPolarHBondContact O-CZ3 3.44Å; L61-W76 HydrophobicContact CB-CH2 3.95Å; L61-W76 HydrophobicContact CB-CZ2 3.13Å; L61-W76 HydrophobicContact CG-CZ2 4.26Å; V72-W76 HydrophobicContact CG1-CG 3.94Å; G74-W76 PolarHBondContact O-N 3.09Å; W76-L78 HydrophobicContact CB-CG 4.09Å; W76-L78 PolarHBondContact O-N 3.12Å
77	F	68.2	Low	83.4	Confident	188 Å²	188	52.8 Å²	52.8	83%	0.825	27%	0.271	S	S	*	.			trans	-70.4	62.5	174	-62.4	-83.6	0	0	0	109.9	S79	F77-S79 PolarHBondContact O-N 3.47Å
78	L	81.6	Confident	83.5	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-58.8	132.1	176.1	-75.2	177.2	0	0	0	108.4	F20 L41 W76 Y84 T112	F20-L78 HydrophobicContact CD1-CD1 3.78Å; F20-L78 HydrophobicContact CE1-CD1 4.01Å; L41-L78 HydrophobicContact CD2-CD2 3.73Å; W76-L78 HydrophobicContact CB-CG 4.09Å; W76-L78 PolarHBondContact O-N 3.12Å; L78-Y84 WeakPolarHBondContact CA-OH 3.42Å; L78-Y84 HydrophobicContact CD2-CD1 4.17Å; L78-Y84 HydrophobicContact CD2-CD2 3.87Å; L78-Y84 HydrophobicContact CD2-CE1 3.85Å; L78-Y84 HydrophobicContact CD2-CE2 3.51Å; L78-Y84 HydrophobicContact CD2-CG 4.19Å; L78-T112 HydrophobicContact CB-CG2 4.43Å; L78-T112 HydrophobicContact CD1-CG2 4.45Å; L78-T112 HydrophobicContact CD2-CG2 4.13Å
79	S	82	Confident	83.5	Confident	38 Å²	38	46 Å²	46	27%	0.266	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-95.6	140.2	173	-62	0	0	0	0	107.8	C17 F77 T82 Y84 T112	C17-S79 CarbonylContact O-C 3.59Å; F77-S79 PolarHBondContact O-N 3.47Å; S79-T82 WeakPolarHBondContact CB-OG1 3.46Å; S79-T82 WeakPolarHBondContact O-CB 3.27Å; S79-T82 PolarHBondContact O-OG1 2.79Å; S79-Y84 PolarHBondContact N-OH 3.12Å; S79-T112 WeakPolarHBondContact O-CB 3.39Å; S79-T112 PolarHBondContact O-OG1 3.49Å
80	P	87.8	Confident	83.4	Confident	10 Å²	10	44.2 Å²	44.2	7%	0.065	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	158.3	170.4	-22.1	29.8	0	0	0	111.9	C17 T82 T112 G113 Y115 H171	C17-P80 HydrophobicContact CB-CB 3.77Å; C17-P80 HydrophobicContact CB-CG 3.91Å; P80-T82 PolarHBondContact O-N 3.08Å; P80-T82 PolarHBondContact O-OG1 3.34Å; P80-T112 VanDerWaalsContact C-OG1 3.27Å; P80-G113 WeakPolarHBondContact CA-O 3.36Å; P80-G113 WeakPolarHBondContact CB-O 3.48Å; P80-Y115 HydrophobicContact CB-CD1 4.49Å; P80-Y115 HydrophobicContact CB-CE1 4.37Å; P80-Y115 HydrophobicContact CG-CD1 3.83Å; P80-Y115 HydrophobicContact CG-CE1 3.31Å; P80-H171 PolarHBondContact O-CD2 3.26Å
81	R	88.6	Confident	83.4	Confident	56 Å²	56	43.3 Å²	43.3	21%	0.211	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.8	44.9	174.4	-162.8	-173.5	-69.6	178.9	-3.2	113.8	T112 G113 D114 H171 S173 S176	R81-T112 VanDerWaalsContact CA-O 3.27Å; R81-T112 WeakPolarHBondContact CA-O 3.48Å; R81-T112 PolarHBondContact N-O 3.01Å; R81-T112 PolarHBondContact N-OG1 2.77Å; R81-T112 VanDerWaalsContact N-OG1 3.14Å; R81-G113 PolarHBondContact N-O 2.93Å; R81-D114 IonicContact CZ-OD1 3.42Å; R81-D114 VanDerWaalsContact CZ-OD1 3.23Å; R81-D114 IonicContact CZ-OD2 3.76Å; R81-D114 IonicContact NE-OD1 2.97Å; R81-D114 PolarHBondContact NE-OD1 3Å; R81-D114 IonicContact NH2-OD1 2.97Å; R81-D114 PolarHBondContact NH2-OD1 2.99Å; R81-D114 IonicContact NH2-OD2 3.66Å; R81-D114 PolarHBondContact NH2-OD2 3.35Å; R81-H171 PolarHBondContact O-NE2 3.46Å; R81-S173 PolarHBondContact NH2-O 3.02Å; R81-S176 PolarHBondContact NH1-O 2.84Å; R81-S176 PolarHBondContact NH2-O 3.44Å
82	T	87.2	Confident	83.5	Confident	8 Å²	8	40.4 Å²	40.4	5%	0.049	19%	0.193	C	C	.	.			trans	-126	132.6	-173.6	-65.3	0	0	0	0	109.3	K43 S79 P80 Y84 C111 T112	K43-T82 HydrophobicContact CD-CG2 3.82Å; K43-T82 VanDerWaalsContact CE-CG2 3.49Å; K43-T82 HydrophobicContact CG-CG2 3.7Å; S79-T82 WeakPolarHBondContact CB-OG1 3.46Å; S79-T82 WeakPolarHBondContact O-CB 3.27Å; S79-T82 PolarHBondContact O-OG1 2.79Å; P80-T82 PolarHBondContact O-N 3.08Å; P80-T82 PolarHBondContact O-OG1 3.34Å; T82-Y84 HydrophobicContact CG2-CD2 4.03Å; T82-Y84 HydrophobicContact CG2-CE1 4.47Å; T82-Y84 HydrophobicContact CG2-CE2 3.41Å; T82-Y84 VanDerWaalsContact CG2-CE2 3.41Å; T82-Y84 WeakPolarHBondContact O-CD2 3.14Å; T82-C111 WeakPolarHBondContact O-CA 3.32Å; T82-T112 PolarHBondContact N-OG1 3.35Å; T82-T112 PolarHBondContact O-N 2.84Å; T82-T112 PolarHBondContact O-OG1 2.89Å
83	E	91.6	Very high	83.7	Confident	108 Å²	108	45.3 Å²	45.3	51%	0.505	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.7	175.1	-66.9	-177.5	-177.5	0	0	110.5	K44 F110 C111	K44-E83 HydrophobicContact CB-CB 4.08Å; K44-E83 HydrophobicContact CD-CB 4.38Å; K44-E83 WeakPolarHBondContact CD-OE2 3.46Å; K44-E83 PolarHBondContact N-O 3.29Å; K44-E83 IonicContact NZ-OE2 2.66Å; E83-F110 WeakPolarHBondContact CA-O 3.34Å; E83-C111 HydrophobicContact CG-CB 4.44Å
84	Y	89.9	Confident	84.3	Confident	13 Å²	13	41.2 Å²	41.2	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.8	175.4	-70.7	-87.2	0	0	0	110.3	L41 N42 K43 L78 S79 T82 E109 F110 T112	L41-Y84 HydrophobicContact CD1-CD1 4.21Å; L41-Y84 HydrophobicContact CD1-CG 4.29Å; L41-Y84 HydrophobicContact CD2-CD1 4.23Å; L41-Y84 HydrophobicContact CG-CD1 3.93Å; L41-Y84 HydrophobicContact CG-CG 4.48Å; N42-Y84 CarbonylContact O-C 3.44Å; N42-Y84 VanDerWaalsContact O-CA 3.28Å; N42-Y84 WeakPolarHBondContact O-CA 3.24Å; K43-Y84 HydrophobicContact CB-CD1 4.09Å; K43-Y84 HydrophobicContact CB-CE1 3.71Å; K43-Y84 HydrophobicContact CG-CE1 4.26Å; L78-Y84 WeakPolarHBondContact CA-OH 3.42Å; L78-Y84 HydrophobicContact CD2-CD1 4.17Å; L78-Y84 HydrophobicContact CD2-CD2 3.87Å; L78-Y84 HydrophobicContact CD2-CE1 3.85Å; L78-Y84 HydrophobicContact CD2-CE2 3.51Å; L78-Y84 HydrophobicContact CD2-CG 4.19Å; S79-Y84 PolarHBondContact N-OH 3.12Å; T82-Y84 HydrophobicContact CG2-CD2 4.03Å; T82-Y84 HydrophobicContact CG2-CE1 4.47Å; T82-Y84 HydrophobicContact CG2-CE2 3.41Å; T82-Y84 VanDerWaalsContact CG2-CE2 3.41Å; T82-Y84 WeakPolarHBondContact O-CD2 3.14Å; Y84-E109 CarbonylContact O-C 3.59Å; Y84-E109 VanDerWaalsContact O-CA 3.3Å; Y84-E109 WeakPolarHBondContact O-CA 3.45Å; Y84-F110 HydrophobicContact CD2-CZ 4.47Å; Y84-F110 HydrophobicContact CG-CZ 4.35Å; Y84-F110 PolarHBondContact N-O 3.33Å; Y84-F110 PolarHBondContact O-N 2.66Å; Y84-T112 HydrophobicContact CD2-CG2 3.9Å; Y84-T112 HydrophobicContact CE2-CG2 3.81Å
85	S	91.2	Very high	85.5	Confident	21 Å²	21	46.7 Å²	46.7	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.6	166.2	61.6	0	0	0	0	109.2	L41 N42 V108	L41-S85 WeakPolarHBondContact CA-O 3.46Å; N42-S85 PolarHBondContact N-O 3.33Å; N42-S85 PolarHBondContact O-N 2.86Å; N42-S85 PolarHBondContact O-OG 2.88Å; S85-V108 CarbonylContact C-O 3.58Å; S85-V108 WeakPolarHBondContact CA-O 3.36Å
86	V	90.6	Very high	87.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.5	177.7	70.3	0	0	0	0	111.4	I12 I22 I39 D40 L41 T107 V108 F110	I12-V86 HydrophobicContact CD1-CG1 3.39Å; I12-V86 HydrophobicContact CG1-CG1 4.36Å; I22-V86 HydrophobicContact CD1-CG1 4.1Å; I22-V86 HydrophobicContact CD1-CG2 3.97Å; I39-V86 HydrophobicContact CG2-CG2 3.56Å; D40-V86 CarbonylContact O-C 3.56Å; D40-V86 VanDerWaalsContact O-CA 3.26Å; D40-V86 WeakPolarHBondContact O-CA 3.22Å; L41-V86 HydrophobicContact CD1-CB 3.89Å; L41-V86 HydrophobicContact CD1-CG2 4.17Å; V86-T107 WeakPolarHBondContact O-CA 3.46Å; V86-V108 HydrophobicContact CG1-CB 4.42Å; V86-V108 PolarHBondContact N-O 2.77Å; V86-V108 PolarHBondContact O-N 3.5Å; V86-F110 HydrophobicContact CB-CE1 4.38Å; V86-F110 HydrophobicContact CG1-CE1 4.37Å
87	A	92.1	Very high	88.2	Confident	7 Å²	7	45.6 Å²	45.6	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.3	167.2	0	0	0	0	0	109.5	D40 W104	D40-A87 PolarHBondContact N-O 3.35Å; D40-A87 PolarHBondContact O-N 2.8Å; A87-W104 HydrophobicContact CB-CE3 3.84Å; A87-W104 HydrophobicContact CB-CZ3 4.39Å; A87-W104 WeakPolarHBondContact O-CZ3 3.31Å
88	V	92	Very high	89.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.8	-176.3	-177.1	0	0	0	0	110.2	I10 I22 W24 F38 I39 S105	I10-V88 HydrophobicContact CD1-CB 4.36Å; I10-V88 HydrophobicContact CD1-CG2 4.36Å; I22-V88 HydrophobicContact CD1-CG2 3.71Å; W24-V88 HydrophobicContact CD2-CG1 4Å; W24-V88 HydrophobicContact CE3-CB 4.36Å; W24-V88 HydrophobicContact CE3-CG1 3.94Å; W24-V88 HydrophobicContact CE3-CG2 3.97Å; W24-V88 HydrophobicContact CH2-CG1 3.75Å; W24-V88 HydrophobicContact CZ2-CG1 3.8Å; W24-V88 HydrophobicContact CZ3-CG1 3.83Å; W24-V88 HydrophobicContact CZ3-CG2 3.99Å; F38-V88 WeakPolarHBondContact O-CA 2.93Å; I39-V88 HydrophobicContact CG1-CG2 4.44Å; V88-S105 PolarHBondContact N-OG 2.77Å; V88-S105 PolarHBondContact O-N 3.09Å; V88-S105 PolarHBondContact O-OG 2.88Å
89	Q	92.4	Very high	89.4	Confident	23 Å²	23	46 Å²	46	11%	0.107	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.1	168.4	170.2	178.5	67.9	0	0	107.9	F38 V101 S102 W104	F38-Q89 HydrophobicContact CB-CB 4.06Å; F38-Q89 PolarHBondContact N-O 2.87Å; F38-Q89 PolarHBondContact O-N 3.01Å; Q89-V101 HydrophobicContact CG-CB 4.11Å; Q89-S102 PolarHBondContact NE2-O 3.08Å; Q89-W104 HydrophobicContact CB-CD2 3.82Å; Q89-W104 HydrophobicContact CB-CE3 3.73Å; Q89-W104 HydrophobicContact CB-CG 4.47Å; Q89-W104 HydrophobicContact CB-CH2 3.96Å; Q89-W104 HydrophobicContact CB-CZ2 4.04Å; Q89-W104 HydrophobicContact CB-CZ3 3.8Å
90	T	93.1	Very high	89.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	153.7	177.7	50.9	0	0	0	0	110.3	P7 W24 M26 V34 Y37 V101 S102	P7-T90 HydrophobicContact CG-CG2 3.61Å; W24-T90 HydrophobicContact CZ2-CG2 4.27Å; M26-T90 WeakPolarHBondContact CE-OG1 3.34Å; M26-T90 HydrophobicContact SD-CG2 3.93Å; V34-T90 HydrophobicContact CG1-CG2 4.14Å; V34-T90 HydrophobicContact CG2-CG2 4.24Å; Y37-T90 HydrophobicContact CD1-CG2 4.02Å; Y37-T90 HydrophobicContact CE1-CG2 4.36Å; T90-V101 WeakPolarHBondContact O-CA 3.29Å; T90-S102 PolarHBondContact N-OG 3Å; T90-S102 PolarHBondContact O-N 3.47Å; T90-S102 PolarHBondContact O-OG 3.41Å; T90-S102 WeakPolarHBondContact OG1-CB 3.41Å; T90-S102 PolarHBondContact OG1-OG 2.79Å
91	A	92.4	Very high	89.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.8	-179.1	0	0	0	0	0	114.1	T35 H36 F38 Y99 L100 V101	T35-A91 PolarHBondContact N-O 3.02Å; H36-A91 HydrophobicContact CB-CB 4.46Å; H36-A91 PolarHBondContact N-O 2.97Å; H36-A91 PolarHBondContact O-N 3.33Å; F38-A91 HydrophobicContact CD2-CB 3.81Å; F38-A91 HydrophobicContact CE2-CB 3.44Å; F38-A91 VanDerWaalsContact CE2-CB 3.44Å; A91-Y99 HydrophobicContact CB-CD1 3.79Å; A91-Y99 HydrophobicContact CB-CG 4.4Å; A91-L100 CarbonylContact C-O 3.53Å; A91-L100 WeakPolarHBondContact CA-O 3.34Å; A91-V101 HydrophobicContact CB-CG1 3.96Å
92	V	92.1	Very high	90	Very high	26 Å²	26	45.9 Å²	45.9	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.7	170.2	-176.6	0	0	0	0	108.3	L4 R33 Q94 L100	L4-V92 HydrophobicContact CD1-CB 4.47Å; L4-V92 HydrophobicContact CD1-CG2 3.78Å; L4-V92 HydrophobicContact CD2-CG2 3.74Å; L4-V92 HydrophobicContact CG-CG2 4.31Å; R33-V92 HydrophobicContact CB-CG2 4.07Å; R33-V92 VanDerWaalsContact O-CG2 3.31Å; R33-V92 WeakPolarHBondContact O-CG2 3.47Å; V92-Q94 PolarHBondContact O-N 2.92Å; V92-L100 PolarHBondContact N-O 3.45Å; V92-L100 PolarHBondContact O-N 2.81Å
93	K	89.9	Confident	90.2	Very high	107 Å²	107	47 Å²	47	47%	0.465	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	120.6	170.1	-168.2	174.3	-175	176.9	0	110.4	T35 Y99	T35-K93 WeakPolarHBondContact OG1-CB 3.33Å; T35-K93 PolarHBondContact OG1-N 3.16Å; K93-Y99 HydrophobicContact CB-CD1 4.09Å; K93-Y99 HydrophobicContact CB-CE1 3.73Å; K93-Y99 HydrophobicContact CD-CE1 4.38Å; K93-Y99 HydrophobicContact CG-CE1 4.05Å
94	Q	89.4	Confident	90.2	Very high	58 Å²	58	45.9 Å²	45.9	27%	0.271	25%	0.254	S	S	.	.			trans	-87.6	168.6	-179.2	-61.4	-170.2	-21.8	0	0	111.6	M1 V92 D96 G97 E98 L100	M1-Q94 PolarHBondContact SD-NE2 2.92Å; V92-Q94 PolarHBondContact O-N 2.92Å; Q94-D96 VanDerWaalsContact C-N 3.29Å; Q94-D96 VanDerWaalsContact CB-OD1 3.27Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.29Å; Q94-D96 PolarHBondContact O-N 2.91Å; Q94-G97 PolarHBondContact O-N 2.85Å; Q94-G97 VanDerWaalsContact O-N 3.09Å; Q94-E98 PolarHBondContact N-O 2.98Å; Q94-L100 HydrophobicContact CG-CB 4.49Å
95	S	88.5	Confident	90.5	Very high	138 Å²	138	45.9 Å²	45.9	97%	0.965	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-177.9	51.6	0	0	0	0	114
96	D	89.5	Confident	90.6	Very high	112 Å²	112	48.8 Å²	48.8	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.2	173.7	60.9	0.4	0	0	0	113	Q94 E98	Q94-D96 VanDerWaalsContact C-N 3.29Å; Q94-D96 VanDerWaalsContact CB-OD1 3.27Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.29Å; Q94-D96 PolarHBondContact O-N 2.91Å; D96-E98 WeakPolarHBondContact OD1-CB 3.23Å; D96-E98 PolarHBondContact OD1-N 2.79Å
97	G	82.8	Confident	90.7	Very high	36 Å²	36	52.1 Å²	52.1	37%	0.371	29%	0.287	S	S	.	.	S	Bend	trans	97.2	-9.1	-179.9	0	0	0	0	0	114.6	Q94	Q94-G97 PolarHBondContact O-N 2.85Å; Q94-G97 VanDerWaalsContact O-N 3.09Å
98	E	87.2	Confident	90.8	Very high	129 Å²	129	53.5 Å²	53.5	60%	0.603	30%	0.295	S	S	*	.			trans	-75.8	167.1	177.4	-69.7	-63.3	149.3	0	0	111.9	Q94 D96	Q94-E98 PolarHBondContact N-O 2.98Å; D96-E98 WeakPolarHBondContact OD1-CB 3.23Å; D96-E98 PolarHBondContact OD1-N 2.79Å
99	Y	86.9	Confident	90.9	Very high	76 Å²	76	58.9 Å²	58.9	30%	0.298	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124	177.2	-70.6	-85	0	0	0	111	H36 F38 A91 K93	H36-Y99 HydrophobicContact CB-CE1 4.11Å; H36-Y99 AromaticContact CG-CE1 3.7Å; H36-Y99 AromaticContact ND1-CE1 3.54Å; F38-Y99 HydrophobicContact CE2-CD1 4.28Å; F38-Y99 HydrophobicContact CE2-CG 4.44Å; F38-Y99 HydrophobicContact CZ-CD1 4.48Å; F38-Y99 HydrophobicContact CZ-CD2 4.43Å; F38-Y99 HydrophobicContact CZ-CG 4.34Å; A91-Y99 HydrophobicContact CB-CD1 3.79Å; A91-Y99 HydrophobicContact CB-CG 4.4Å; K93-Y99 HydrophobicContact CB-CD1 4.09Å; K93-Y99 HydrophobicContact CB-CE1 3.73Å; K93-Y99 HydrophobicContact CD-CE1 4.38Å; K93-Y99 HydrophobicContact CG-CE1 4.05Å
100	L	89.5	Confident	91	Very high	33 Å²	33	58.7 Å²	58.7	17%	0.173	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.8	158.3	179.4	65.4	0	0	0	107.9	M1 L4 A91 V92 Q94	M1-L100 HydrophobicContact CG-CD2 4.45Å; M1-L100 HydrophobicContact SD-CD1 4.19Å; M1-L100 HydrophobicContact SD-CD2 4.4Å; L4-L100 HydrophobicContact CD1-CG 4.23Å; L4-L100 VanDerWaalsContact CD1-O 3.29Å; L4-L100 WeakPolarHBondContact CD1-O 3.38Å; L4-L100 HydrophobicContact CG-CD2 4.31Å; L4-L100 HydrophobicContact CG-CG 4.41Å; A91-L100 CarbonylContact C-O 3.53Å; A91-L100 WeakPolarHBondContact CA-O 3.34Å; V92-L100 PolarHBondContact N-O 3.45Å; V92-L100 PolarHBondContact O-N 2.81Å; Q94-L100 HydrophobicContact CG-CB 4.49Å
101	V	90.4	Very high	91	Very high	60 Å²	60	61.6 Å²	61.6	36%	0.364	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.4	-175.9	-59.7	0	0	0	0	111.4	F38 Q89 T90 A91	F38-V101 HydrophobicContact CE2-CG1 4.48Å; Q89-V101 HydrophobicContact CG-CB 4.11Å; T90-V101 WeakPolarHBondContact O-CA 3.29Å; A91-V101 HydrophobicContact CB-CG1 3.96Å
102	S	91.6	Very high	90.9	Very high	8 Å²	8	61.8 Å²	61.8	6%	0.056	34%	0.34	C	S	.	.			trans	-77.9	-179.7	169.4	56	0	0	0	0	111.9	S5 P7 Q89 T90	S5-S102 WeakPolarHBondContact O-CB 3.21Å; P7-S102 WeakPolarHBondContact CD-OG 3.29Å; Q89-S102 PolarHBondContact NE2-O 3.08Å; T90-S102 PolarHBondContact N-OG 3Å; T90-S102 PolarHBondContact O-N 3.47Å; T90-S102 PolarHBondContact O-OG 3.41Å; T90-S102 WeakPolarHBondContact OG1-CB 3.41Å; T90-S102 PolarHBondContact OG1-OG 2.79Å
103	G	91	Very high	90.8	Very high	32 Å²	32	61.7 Å²	61.7	33%	0.33	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.5	165.9	163.3	0	0	0	0	0	112	T6	T6-G103 PolarHBondContact OG1-N 2.92Å
104	W	92.8	Very high	91	Very high	84 Å²	84	59.2 Å²	59.2	32%	0.318	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-77.1	141	167.3	-72.9	94.1	0	0	0	109.9	T6 F38 D40 K60 A87 Q89	T6-W104 VanDerWaalsContact CG2-O 3.29Å; T6-W104 WeakPolarHBondContact CG2-O 3.3Å; F38-W104 HydrophobicContact CB-CH2 4.14Å; D40-W104 HydrophobicContact CB-CE3 4.47Å; D40-W104 HydrophobicContact CB-CH2 3.72Å; D40-W104 HydrophobicContact CB-CZ3 3.61Å; K60-W104 HydrophobicContact CG-CH2 4.49Å; A87-W104 HydrophobicContact CB-CE3 3.84Å; A87-W104 HydrophobicContact CB-CZ3 4.39Å; A87-W104 WeakPolarHBondContact O-CZ3 3.31Å; Q89-W104 HydrophobicContact CB-CD2 3.82Å; Q89-W104 HydrophobicContact CB-CE3 3.73Å; Q89-W104 HydrophobicContact CB-CG 4.47Å; Q89-W104 HydrophobicContact CB-CH2 3.96Å; Q89-W104 HydrophobicContact CB-CZ2 4.04Å; Q89-W104 HydrophobicContact CB-CZ3 3.8Å
105	S	94.6	Very high	91.1	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.084	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.3	173.9	170	70.3	0	0	0	0	112.6	P7 V88	P7-S105 VanDerWaalsContact O-CA 3.25Å; P7-S105 WeakPolarHBondContact O-CA 3.49Å; P7-S105 WeakPolarHBondContact O-CB 3.44Å; V88-S105 PolarHBondContact N-OG 2.77Å; V88-S105 PolarHBondContact O-N 3.09Å; V88-S105 PolarHBondContact O-OG 2.88Å
106	E	94.4	Very high	91.2	Very high	83 Å²	83	53.1 Å²	53.1	39%	0.388	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-54.4	152.8	157.9	71.3	-82.2	-166.4	0	0	111.3	H8 S9 I10 V108	H8-E106 WeakPolarHBondContact CA-OE2 3.34Å; S9-E106 VanDerWaalsContact CA-OE1 3.31Å; S9-E106 WeakPolarHBondContact CA-OE1 3.32Å; S9-E106 PolarHBondContact N-OE1 3.41Å; I10-E106 HydrophobicContact CG1-CG 4.34Å; I10-E106 PolarHBondContact N-OE1 2.88Å; E106-V108 HydrophobicContact CG-CG2 4.21Å
107	T	92.8	Very high	91.3	Very high	70 Å²	70	52.2 Å²	52.2	43%	0.429	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-87.8	126.5	172.8	-58.1	0	0	0	0	109.4	V86	V86-T107 WeakPolarHBondContact O-CA 3.46Å
108	V	94.3	Very high	91.7	Very high	37 Å²	37	56 Å²	56	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	173.9	175.8	0	0	0	0	109.8	I10 I12 S85 V86 E106	I10-V108 HydrophobicContact CB-CG2 3.74Å; I10-V108 HydrophobicContact CG1-CG2 4.46Å; I10-V108 HydrophobicContact CG2-CB 4.39Å; I10-V108 HydrophobicContact CG2-CG2 4.14Å; I12-V108 HydrophobicContact CD1-CB 4.27Å; I12-V108 HydrophobicContact CD1-CG1 3.77Å; I12-V108 HydrophobicContact CG1-CG1 4.3Å; S85-V108 CarbonylContact C-O 3.58Å; S85-V108 WeakPolarHBondContact CA-O 3.36Å; V86-V108 HydrophobicContact CG1-CB 4.42Å; V86-V108 PolarHBondContact N-O 2.77Å; V86-V108 PolarHBondContact O-N 3.5Å; E106-V108 HydrophobicContact CG-CG2 4.21Å
109	E	94.3	Very high	91.9	Very high	113 Å²	113	50 Å²	50	53%	0.528	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.1	176.5	-60.5	-169.9	158.1	0	0	110.9	K44 Y84	K44-E109 VanDerWaalsContact NZ-CD 3.25Å; K44-E109 IonicContact NZ-OE1 2.77Å; K44-E109 PolarHBondContact NZ-OE1 3.23Å; K44-E109 IonicContact NZ-OE2 3.5Å; K44-E109 PolarHBondContact NZ-OE2 2.93Å; Y84-E109 CarbonylContact O-C 3.59Å; Y84-E109 VanDerWaalsContact O-CA 3.3Å; Y84-E109 WeakPolarHBondContact O-CA 3.45Å
110	F	93.4	Very high	92.3	Very high	18 Å²	18	46.3 Å²	46.3	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.6	171.7	71.3	-78.7	0	0	0	110.9	I12 I15 F20 L41 E83 Y84 V86 T112	I12-F110 HydrophobicContact CD1-CB 4.16Å; I12-F110 HydrophobicContact CD1-CD1 3.38Å; I12-F110 HydrophobicContact CD1-CE1 3.99Å; I12-F110 HydrophobicContact CD1-CG 3.96Å; I12-F110 HydrophobicContact CG2-CB 4.36Å; I12-F110 HydrophobicContact CG2-CD1 4.46Å; I12-F110 HydrophobicContact CG2-CD2 4.41Å; I12-F110 HydrophobicContact CG2-CG 4.17Å; I15-F110 HydrophobicContact CD1-CB 3.87Å; I15-F110 HydrophobicContact CD1-CD2 3.93Å; I15-F110 HydrophobicContact CD1-CG 4.28Å; I15-F110 HydrophobicContact CG1-CD2 4.15Å; I15-F110 HydrophobicContact CG2-CD2 4.08Å; I15-F110 HydrophobicContact CG2-CE2 4.41Å; F20-F110 HydrophobicContact CB-CE2 4.1Å; F20-F110 HydrophobicContact CB-CZ 4.49Å; F20-F110 HydrophobicContact CD1-CE1 4.4Å; F20-F110 AromaticContact CD1-CE2 3.68Å; F20-F110 HydrophobicContact CD1-CE2 3.68Å; F20-F110 AromaticContact CD1-CZ 3.41Å; F20-F110 HydrophobicContact CD1-CZ 3.41Å; F20-F110 VanDerWaalsContact CD1-CZ 3.41Å; F20-F110 HydrophobicContact CD2-CZ 4.28Å; F20-F110 HydrophobicContact CE1-CE1 4.3Å; F20-F110 HydrophobicContact CE1-CE2 4.26Å; F20-F110 AromaticContact CE1-CZ 3.51Å; F20-F110 HydrophobicContact CE1-CZ 3.51Å; F20-F110 HydrophobicContact CE2-CZ 4.36Å; F20-F110 AromaticContact CG-CE2 3.92Å; F20-F110 HydrophobicContact CG-CE2 3.92Å; F20-F110 AromaticContact CG-CZ 3.82Å; F20-F110 HydrophobicContact CG-CZ 3.82Å; F20-F110 HydrophobicContact CZ-CE1 4.34Å; F20-F110 AromaticContact CZ-CZ 4Å; F20-F110 HydrophobicContact CZ-CZ 4Å; L41-F110 HydrophobicContact CD1-CE1 3.67Å; L41-F110 HydrophobicContact CD1-CZ 3.85Å; E83-F110 WeakPolarHBondContact CA-O 3.34Å; Y84-F110 HydrophobicContact CD2-CZ 4.47Å; Y84-F110 HydrophobicContact CG-CZ 4.35Å; Y84-F110 PolarHBondContact N-O 3.33Å; Y84-F110 PolarHBondContact O-N 2.66Å; V86-F110 HydrophobicContact CB-CE1 4.38Å; V86-F110 HydrophobicContact CG1-CE1 4.37Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å
111	C	92.7	Very high	92.6	Very high	61 Å²	61	47 Å²	47	41%	0.412	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	174	-172	0	0	0	0	109.2	I15 T82 E83	I15-C111 WeakPolarHBondContact CG2-O 3.37Å; T82-C111 WeakPolarHBondContact O-CA 3.32Å; E83-C111 HydrophobicContact CG-CB 4.44Å
112	T	91.3	Very high	92.8	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.031	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.1	155.1	173.5	50.5	0	0	0	0	111.6	T16 L78 S79 P80 R81 T82 Y84 F110	T16-T112 WeakPolarHBondContact O-CB 3.33Å; L78-T112 HydrophobicContact CB-CG2 4.43Å; L78-T112 HydrophobicContact CD1-CG2 4.45Å; L78-T112 HydrophobicContact CD2-CG2 4.13Å; S79-T112 WeakPolarHBondContact O-CB 3.39Å; S79-T112 PolarHBondContact O-OG1 3.49Å; P80-T112 VanDerWaalsContact C-OG1 3.27Å; R81-T112 VanDerWaalsContact CA-O 3.27Å; R81-T112 WeakPolarHBondContact CA-O 3.48Å; R81-T112 PolarHBondContact N-O 3.01Å; R81-T112 PolarHBondContact N-OG1 2.77Å; R81-T112 VanDerWaalsContact N-OG1 3.14Å; T82-T112 PolarHBondContact N-OG1 3.35Å; T82-T112 PolarHBondContact O-N 2.84Å; T82-T112 PolarHBondContact O-OG1 2.89Å; Y84-T112 HydrophobicContact CD2-CG2 3.9Å; Y84-T112 HydrophobicContact CE2-CG2 3.81Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å
113	G	90.4	Very high	93	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-73.6	173.5	-179.2	0	0	0	0	0	114.3	T16 C17 P80 R81	T16-G113 PolarHBondContact O-N 3.28Å; C17-G113 WeakPolarHBondContact CA-O 3.39Å; C17-G113 WeakPolarHBondContact CB-O 3.36Å; P80-G113 WeakPolarHBondContact CA-O 3.36Å; P80-G113 WeakPolarHBondContact CB-O 3.48Å; R81-G113 PolarHBondContact N-O 2.93Å
114	D	92.4	Very high	93.3	Very high	55 Å²	55	47.3 Å²	47.3	29%	0.294	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-73.4	168.4	166.6	-69.8	-19.3	0	0	0	111.2	C17 R81 A116 P174	C17-D114 WeakPolarHBondContact CB-O 3.18Å; R81-D114 IonicContact CZ-OD1 3.42Å; R81-D114 VanDerWaalsContact CZ-OD1 3.23Å; R81-D114 IonicContact CZ-OD2 3.76Å; R81-D114 IonicContact NE-OD1 2.97Å; R81-D114 PolarHBondContact NE-OD1 3Å; R81-D114 IonicContact NH2-OD1 2.97Å; R81-D114 PolarHBondContact NH2-OD1 2.99Å; R81-D114 IonicContact NH2-OD2 3.66Å; R81-D114 PolarHBondContact NH2-OD2 3.35Å; D114-A116 PolarHBondContact O-N 3.19Å; D114-P174 HydrophobicContact CB-CB 4.23Å
115	Y	92.4	Very high	93.4	Very high	22 Å²	22	48.7 Å²	48.7	9%	0.086	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.2	121.6	169.5	-75.2	-33.3	0	0	0	111.1	C17 P80 H119 L120 L123 G172 I326 V328	C17-Y115 HydrophobicContact CB-CD1 4.44Å; P80-Y115 HydrophobicContact CB-CD1 4.49Å; P80-Y115 HydrophobicContact CB-CE1 4.37Å; P80-Y115 HydrophobicContact CG-CD1 3.83Å; P80-Y115 HydrophobicContact CG-CE1 3.31Å; Y115-H119 HydrophobicContact CD1-CB 3.6Å; Y115-H119 AromaticContact CD1-CG 3.95Å; Y115-H119 HydrophobicContact CE1-CB 4.35Å; Y115-H119 HydrophobicContact CG-CB 3.87Å; Y115-L120 HydrophobicContact CD2-CD2 4.22Å; Y115-L123 HydrophobicContact CD2-CD1 3.97Å; Y115-L123 HydrophobicContact CE2-CD1 3.77Å; Y115-G172 PolarHBondContact N-O 3.31Å; Y115-I326 HydrophobicContact CD1-CD1 4.47Å; Y115-I326 HydrophobicContact CE1-CD1 3.95Å; Y115-V328 HydrophobicContact CE1-CG1 4.45Å
116	A	90.6	Very high	93.5	Very high	46 Å²	46	50.2 Å²	50.2	38%	0.38	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69.8	165	165.2	0	0	0	0	0	110.8	D114 E118 H119 L120	D114-A116 PolarHBondContact O-N 3.19Å; A116-E118 HydrophobicContact CB-CG 4.14Å; A116-E118 PolarHBondContact O-N 2.82Å; A116-E118 VanDerWaalsContact O-N 3.11Å; A116-H119 WeakPolarHBondContact O-CB 3.3Å; A116-H119 PolarHBondContact O-N 2.72Å; A116-L120 PolarHBondContact O-N 2.83Å; A116-L120 VanDerWaalsContact O-N 3.13Å
117	K	91.9	Very high	93.7	Very high	92 Å²	92	46.3 Å²	46.3	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-53.8	-33.6	179.4	-78.1	-174.6	174.7	178.5	0	113.8	H119 L120 A121 R251 D252 R253 L254	K117-H119 VanDerWaalsContact C-N 3.35Å; K117-L120 PolarHBondContact O-N 2.85Å; K117-A121 WeakPolarHBondContact O-CB 3.43Å; K117-A121 PolarHBondContact O-N 2.9Å; K117-R251 PolarHBondContact NZ-O 3.33Å; K117-D252 VanDerWaalsContact CE-C 3.4Å; K117-D252 VanDerWaalsContact CE-O 3.24Å; K117-D252 WeakPolarHBondContact CE-O 3.49Å; K117-R253 VanDerWaalsContact CG-O 3.32Å; K117-R253 WeakPolarHBondContact CG-O 3.49Å; K117-L254 WeakPolarHBondContact CE-O 3.45Å
118	E	90.5	Very high	93.9	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-38.7	176.2	65.3	-167.7	176.7	0	0	112.7	A116 A121 Q122	A116-E118 HydrophobicContact CB-CG 4.14Å; A116-E118 PolarHBondContact O-N 2.82Å; A116-E118 VanDerWaalsContact O-N 3.11Å; E118-A121 PolarHBondContact O-N 2.85Å; E118-Q122 WeakPolarHBondContact O-CG 3.5Å; E118-Q122 PolarHBondContact O-N 2.77Å; E118-Q122 VanDerWaalsContact O-N 3.07Å
119	H	92	Very high	94	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-39.4	176.3	-60.2	94.2	0	0	0	110.8	C17 Y115 A116 K117 A121 Q122 L123 I326	C17-H119 PolarHBondContact SG-CE1 3.06Å; Y115-H119 HydrophobicContact CD1-CB 3.6Å; Y115-H119 AromaticContact CD1-CG 3.95Å; Y115-H119 HydrophobicContact CE1-CB 4.35Å; Y115-H119 HydrophobicContact CG-CB 3.87Å; A116-H119 WeakPolarHBondContact O-CB 3.3Å; A116-H119 PolarHBondContact O-N 2.72Å; K117-H119 VanDerWaalsContact C-N 3.35Å; H119-A121 VanDerWaalsContact C-N 3.33Å; H119-Q122 PolarHBondContact O-N 3.16Å; H119-L123 PolarHBondContact O-N 3.2Å; H119-I326 HydrophobicContact CB-CD1 3.79Å
120	L	95.9	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-35.9	173.1	-64	-178.5	0	0	0	112.1	Y115 A116 K117 L123 Q124 P174 F222 A223 R253 L254 P255	Y115-L120 HydrophobicContact CD2-CD2 4.22Å; A116-L120 PolarHBondContact O-N 2.83Å; A116-L120 VanDerWaalsContact O-N 3.13Å; K117-L120 PolarHBondContact O-N 2.85Å; L120-L123 HydrophobicContact CD2-CD1 4.21Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.95Å; L120-Q124 WeakPolarHBondContact O-CB 3.48Å; L120-Q124 PolarHBondContact O-N 2.94Å; L120-P174 HydrophobicContact CD1-CG 3.94Å; L120-F222 WeakPolarHBondContact O-CE1 3.29Å; L120-A223 WeakPolarHBondContact CD2-O 3.38Å; L120-R253 WeakPolarHBondContact CD1-O 3.41Å; L120-L254 HydrophobicContact CD1-CD2 3.57Å; L120-P255 HydrophobicContact CB-CG 3.85Å
121	A	94.7	Very high	93.8	Very high	47 Å²	47	46.8 Å²	46.8	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-39.9	174.8	0	0	0	0	0	111.6	K117 E118 H119 Q124 E125	K117-A121 WeakPolarHBondContact O-CB 3.43Å; K117-A121 PolarHBondContact O-N 2.9Å; E118-A121 PolarHBondContact O-N 2.85Å; H119-A121 VanDerWaalsContact C-N 3.33Å; A121-Q124 WeakPolarHBondContact O-CB 3.15Å; A121-Q124 PolarHBondContact O-N 3.35Å; A121-E125 PolarHBondContact O-N 2.84Å
122	Q	94.1	Very high	93.5	Very high	76 Å²	76	46.5 Å²	46.5	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-42.1	171.9	-68.1	173.9	30.7	0	0	111.7	E118 H119 Q124 E125 K126 I326	E118-Q122 WeakPolarHBondContact O-CG 3.5Å; E118-Q122 PolarHBondContact O-N 2.77Å; E118-Q122 VanDerWaalsContact O-N 3.07Å; H119-Q122 PolarHBondContact O-N 3.16Å; Q122-Q124 VanDerWaalsContact C-N 3.33Å; Q122-E125 PolarHBondContact O-N 2.79Å; Q122-K126 WeakPolarHBondContact O-CG 3.33Å; Q122-K126 PolarHBondContact O-N 2.9Å; Q122-K126 VanDerWaalsContact O-N 3.14Å; Q122-I326 HydrophobicContact CB-CB 4.47Å; Q122-I326 HydrophobicContact CB-CG2 3.68Å
123	L	95.7	Very high	93.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-40.8	174.5	-74.1	173.2	0	0	0	111.9	Y115 H119 L120 K126 A127 F222 F225 K317 C324 I326	Y115-L123 HydrophobicContact CD2-CD1 3.97Å; Y115-L123 HydrophobicContact CE2-CD1 3.77Å; H119-L123 PolarHBondContact O-N 3.2Å; L120-L123 HydrophobicContact CD2-CD1 4.21Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.95Å; L123-K126 PolarHBondContact O-N 2.76Å; L123-A127 PolarHBondContact O-N 3.07Å; L123-F222 HydrophobicContact CB-CE1 3.81Å; L123-F222 HydrophobicContact CB-CZ 4.01Å; L123-F225 HydrophobicContact CB-CB 4.33Å; L123-K317 VanDerWaalsContact CD2-NZ 3.34Å; L123-C324 WeakPolarHBondContact CD2-O 3.31Å; L123-I326 HydrophobicContact CD2-CG1 4.33Å; L123-I326 HydrophobicContact CD2-CG2 3.73Å; L123-I326 HydrophobicContact CG-CD1 4.29Å; L123-I326 HydrophobicContact CG-CG1 4.47Å; L123-I326 HydrophobicContact CG-CG2 3.97Å
124	Q	97.4	Very high	93.9	Very high	31 Å²	31	55.1 Å²	55.1	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-49.3	176.4	-173.9	-171.9	-43.5	0	0	110.9	L120 A121 Q122 K126 A127 E128 F222 P255 F264	L120-Q124 WeakPolarHBondContact O-CB 3.48Å; L120-Q124 PolarHBondContact O-N 2.94Å; A121-Q124 WeakPolarHBondContact O-CB 3.15Å; A121-Q124 PolarHBondContact O-N 3.35Å; Q122-Q124 VanDerWaalsContact C-N 3.33Å; Q124-K126 VanDerWaalsContact C-N 3.29Å; Q124-K126 PolarHBondContact O-N 3.44Å; Q124-A127 WeakPolarHBondContact O-CB 3.48Å; Q124-A127 PolarHBondContact O-N 3.38Å; Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 PolarHBondContact NE2-OE1 3.34Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 3.31Å; Q124-F222 VanDerWaalsContact CA-CZ 3.45Å; Q124-F222 HydrophobicContact CB-CD1 3.8Å; Q124-F222 HydrophobicContact CB-CD2 4.27Å; Q124-F222 HydrophobicContact CB-CE1 3.81Å; Q124-F222 HydrophobicContact CB-CE2 4.27Å; Q124-F222 HydrophobicContact CB-CG 4.02Å; Q124-F222 HydrophobicContact CB-CZ 4.03Å; Q124-F222 HydrophobicContact CG-CB 4.45Å; Q124-F222 HydrophobicContact CG-CD1 4.34Å; Q124-F222 HydrophobicContact CG-CD2 4.12Å; Q124-F222 HydrophobicContact CG-CE2 4.44Å; Q124-F222 HydrophobicContact CG-CG 4.05Å; Q124-P255 VanDerWaalsContact OE1-CB 3.27Å; Q124-F264 HydrophobicContact CG-CE2 3.77Å; Q124-F264 HydrophobicContact CG-CZ 3.91Å
125	E	96.8	Very high	94.1	Very high	113 Å²	113	53.4 Å²	53.4	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-43.7	178.5	-172.6	-173.4	170.9	0	0	111.4	A121 Q122 A127 E128 Q129	A121-E125 PolarHBondContact O-N 2.84Å; Q122-E125 PolarHBondContact O-N 2.79Å; E125-A127 VanDerWaalsContact C-N 3.34Å; E125-A127 PolarHBondContact O-N 3.4Å; E125-E128 WeakPolarHBondContact O-CB 3.35Å; E125-E128 PolarHBondContact O-N 2.65Å; E125-Q129 WeakPolarHBondContact O-CG 3.48Å; E125-Q129 PolarHBondContact O-N 2.86Å; E125-Q129 VanDerWaalsContact O-N 3.12Å
126	K	96.7	Very high	94.3	Very high	44 Å²	44	58.7 Å²	58.7	19%	0.191	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-36.7	176.6	-64.9	-171.7	99.7	-157.6	0	112.6	Q122 L123 Q124 Q129 F225 K322 T323 N325 I326	Q122-K126 WeakPolarHBondContact O-CG 3.33Å; Q122-K126 PolarHBondContact O-N 2.9Å; Q122-K126 VanDerWaalsContact O-N 3.14Å; L123-K126 PolarHBondContact O-N 2.76Å; Q124-K126 VanDerWaalsContact C-N 3.29Å; Q124-K126 PolarHBondContact O-N 3.44Å; K126-Q129 PolarHBondContact O-N 2.82Å; K126-F225 HydrophobicContact CB-CD1 4.26Å; K126-F225 HydrophobicContact CB-CE1 4.1Å; K126-K322 PolarHBondContact NZ-O 3.36Å; K126-T323 WeakPolarHBondContact CD-O 3.34Å; K126-T323 WeakPolarHBondContact CE-O 3.4Å; K126-T323 PolarHBondContact NZ-O 3.03Å; K126-N325 PolarHBondContact NZ-O 2.87Å; K126-I326 HydrophobicContact CD-CG2 3.97Å
127	A	97.6	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-40.2	174.3	0	0	0	0	0	111.3	L123 Q124 E125 Q129 I130 A131 F222 F225 F264 L282	L123-A127 PolarHBondContact O-N 3.07Å; Q124-A127 WeakPolarHBondContact O-CB 3.48Å; Q124-A127 PolarHBondContact O-N 3.38Å; E125-A127 VanDerWaalsContact C-N 3.34Å; E125-A127 PolarHBondContact O-N 3.4Å; A127-Q129 PolarHBondContact O-N 2.96Å; A127-I130 PolarHBondContact O-N 2.99Å; A127-I130 VanDerWaalsContact O-N 3.11Å; A127-A131 WeakPolarHBondContact O-CB 3.11Å; A127-A131 PolarHBondContact O-N 3.14Å; A127-F222 HydrophobicContact CB-CE2 4.01Å; A127-F222 HydrophobicContact CB-CZ 4.35Å; A127-F225 HydrophobicContact CB-CB 4.1Å; A127-F225 HydrophobicContact CB-CD1 3.94Å; A127-F225 HydrophobicContact CB-CD2 3.6Å; A127-F225 HydrophobicContact CB-CE1 4.27Å; A127-F225 HydrophobicContact CB-CE2 3.95Å; A127-F225 HydrophobicContact CB-CG 3.63Å; A127-F225 HydrophobicContact CB-CZ 4.32Å; A127-F264 HydrophobicContact CB-CE1 3.54Å; A127-F264 HydrophobicContact CB-CZ 3.81Å; A127-L282 HydrophobicContact CB-CD1 4.4Å
128	E	97.2	Very high	94.9	Very high	55 Å²	55	55.9 Å²	55.9	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-24.2	176.9	-75.4	177.5	-175.7	0	0	114	Q124 E125 I130 K263 F264	Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 PolarHBondContact NE2-OE1 3.34Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 3.31Å; E125-E128 WeakPolarHBondContact O-CB 3.35Å; E125-E128 PolarHBondContact O-N 2.65Å; E128-I130 VanDerWaalsContact C-N 3.25Å; E128-K263 HydrophobicContact CB-CD 3.95Å; E128-K263 HydrophobicContact CG-CB 4.42Å; E128-K263 HydrophobicContact CG-CD 4.14Å; E128-K263 WeakPolarHBondContact O-CD 3.14Å; E128-K263 PolarHBondContact O-NZ 3.07Å; E128-F264 HydrophobicContact CG-CE1 4.22Å; E128-F264 HydrophobicContact CG-CE2 4Å; E128-F264 HydrophobicContact CG-CZ 3.52Å
129	Q	95.3	Very high	95.3	Very high	136 Å²	136	51.5 Å²	51.5	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.2	174.4	-72.9	172.4	1.4	0	0	112.7	E125 K126 A127	E125-Q129 WeakPolarHBondContact O-CG 3.48Å; E125-Q129 PolarHBondContact O-N 2.86Å; E125-Q129 VanDerWaalsContact O-N 3.12Å; K126-Q129 PolarHBondContact O-N 2.82Å; A127-Q129 PolarHBondContact O-N 2.96Å
130	I	92.6	Very high	95.6	Very high	51 Å²	51	51.4 Å²	51.4	26%	0.262	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-31.1	-179.5	-51.4	167.9	0	0	0	111	A127 E128 G132 F225 D281 L282 T323	A127-I130 PolarHBondContact O-N 2.99Å; A127-I130 VanDerWaalsContact O-N 3.11Å; E128-I130 VanDerWaalsContact C-N 3.25Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.31Å; I130-F225 HydrophobicContact CD1-CE1 4.23Å; I130-F225 HydrophobicContact CD1-CE2 4.26Å; I130-F225 HydrophobicContact CD1-CZ 3.43Å; I130-F225 VanDerWaalsContact CD1-CZ 3.43Å; I130-D281 HydrophobicContact CG2-CB 4.36Å; I130-D281 WeakPolarHBondContact O-CB 3.5Å; I130-L282 HydrophobicContact CB-CD2 4.42Å; I130-L282 HydrophobicContact CG2-CD2 4.3Å; I130-T323 HydrophobicContact CD1-CG2 3.12Å; I130-T323 HydrophobicContact CG1-CG2 4.09Å
131	A	92.2	Very high	95.7	Very high	6 Å²	6	51.9 Å²	51.9	5%	0.05	26%	0.264	C	S	.	.			trans	-62.7	93.3	174.5	0	0	0	0	0	110	A127 K263 F264 A279 L282	A127-A131 WeakPolarHBondContact O-CB 3.11Å; A127-A131 PolarHBondContact O-N 3.14Å; A131-K263 HydrophobicContact CB-CB 3.76Å; A131-K263 HydrophobicContact CB-CD 4.49Å; A131-F264 HydrophobicContact CB-CD1 4.27Å; A131-F264 HydrophobicContact CB-CE1 4.27Å; A131-A279 HydrophobicContact CB-CB 4.31Å; A131-L282 HydrophobicContact CB-CD1 3.85Å
132	G	85.7	Confident	95.9	Very high	56 Å²	56	50.3 Å²	50.3	58%	0.577	25%	0.247	S	C	*	.			trans	-95	-92.3	-179.9	0	0	0	0	0	110.8	I130 D281	I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.31Å; G132-D281 PolarHBondContact N-OD2 3.13Å
133	R	93.7	Very high	96.1	Very high	164 Å²	164	47.2 Å²	47.2	62%	0.619	23%	0.233	S	C	*	.			trans	-80.4	143.3	-174.6	-176.8	172.1	177.8	-168.3	0.9	110.9	Q280 D281	R133-Q280 WeakPolarHBondContact O-CB 3.28Å; R133-Q280 PolarHBondContact O-N 2.97Å; R133-D281 PolarHBondContact N-OD2 2.89Å
134	M	96.6	Very high	96.1	Very high	45 Å²	45	49.4 Å²	49.4	22%	0.222	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.9	170	-58.2	-175	83	0	0	111.9	T266 R277 H278	M134-T266 HydrophobicContact CE-CG2 3.83Å; M134-T266 HydrophobicContact SD-CG2 4.29Å; M134-R277 HydrophobicContact CB-CB 3.98Å; M134-R277 HydrophobicContact CE-CB 3.92Å; M134-R277 WeakPolarHBondContact CE-O 3.43Å; M134-R277 HydrophobicContact SD-CB 4.45Å; M134-H278 CarbonylContact C-O 3.45Å; M134-H278 WeakPolarHBondContact CA-O 3.3Å; M134-H278 WeakPolarHBondContact CB-O 3.38Å
135	L	97	Very high	96	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.2	177.2	-61.6	179.5	0	0	0	110.7	F190 R277 H278 Q280	L135-F190 HydrophobicContact CD1-CB 4.38Å; L135-R277 CarbonylContact O-C 3.48Å; L135-R277 WeakPolarHBondContact O-CA 3.48Å; L135-R277 WeakPolarHBondContact O-CB 3.4Å; L135-H278 PolarHBondContact N-O 2.96Å; L135-H278 PolarHBondContact O-N 2.97Å; L135-Q280 HydrophobicContact CD1-CB 4.12Å; L135-Q280 HydrophobicContact CD1-CG 3.78Å; L135-Q280 HydrophobicContact CG-CB 4.08Å; L135-Q280 HydrophobicContact CG-CG 4.24Å
136	R	96.3	Very high	95.9	Very high	134 Å²	134	50.6 Å²	50.6	51%	0.506	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	143.2	174.6	-75.4	-171.9	170.8	107.9	-10	110.3	E270 V275 F276 R277	R136-E270 IonicContact CZ-OE2 3.2Å; R136-E270 IonicContact NH2-OE1 2.84Å; R136-E270 IonicContact NH2-OE2 2.91Å; R136-E270 PolarHBondContact NH2-OE2 3.2Å; R136-V275 HydrophobicContact CG-CG1 4.27Å; R136-F276 VanDerWaalsContact CA-O 3.3Å; R136-F276 WeakPolarHBondContact CA-O 3.45Å; R136-R277 HydrophobicContact CG-CG 4.25Å
137	F	98.1	Very high	95.9	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.057	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.1	168.8	75	-76.9	0	0	0	110.1	V139 F140 C186 T188 A210 L265 F276 H278	F137-V139 WeakPolarHBondContact CD2-O 3.49Å; F137-F140 HydrophobicContact CE2-CD1 4.31Å; F137-F140 AromaticContact CE2-CE1 3.92Å; F137-F140 HydrophobicContact CE2-CE1 3.92Å; F137-F140 HydrophobicContact CE2-CE2 4.19Å; F137-F140 AromaticContact CE2-CZ 3.84Å; F137-F140 HydrophobicContact CE2-CZ 3.84Å; F137-F140 HydrophobicContact CZ-CE1 4.06Å; F137-F140 HydrophobicContact CZ-CE2 4.48Å; F137-F140 AromaticContact CZ-CZ 3.83Å; F137-F140 HydrophobicContact CZ-CZ 3.83Å; F137-C186 HydrophobicContact CD2-CB 3.77Å; F137-C186 HydrophobicContact CE2-CB 3.68Å; F137-C186 HydrophobicContact CG-CB 4.27Å; F137-C186 HydrophobicContact CZ-CB 4.11Å; F137-T188 HydrophobicContact CB-CG2 3.65Å; F137-A210 HydrophobicContact CD2-CB 4.33Å; F137-A210 HydrophobicContact CE2-CB 3.68Å; F137-A210 HydrophobicContact CZ-CB 4.29Å; F137-L265 HydrophobicContact CE1-CD1 3.47Å; F137-L265 VanDerWaalsContact CE1-CD1 3.47Å; F137-L265 HydrophobicContact CZ-CD1 3.55Å; F137-F276 HydrophobicContact CD1-CB 3.82Å; F137-F276 HydrophobicContact CE1-CB 3.36Å; F137-F276 HydrophobicContact CE2-CB 4.18Å; F137-F276 HydrophobicContact CG-CB 4.4Å; F137-F276 HydrophobicContact CZ-CB 3.55Å; F137-F276 HydrophobicContact CZ-CG 4.3Å; F137-F276 PolarHBondContact N-O 2.77Å; F137-F276 VanDerWaalsContact N-O 3.14Å; F137-H278 HydrophobicContact CD1-CB 4.11Å; F137-H278 AromaticContact CD1-CD2 3.93Å; F137-H278 HydrophobicContact CE1-CB 4.29Å
138	S	97	Very high	95.9	Very high	65 Å²	65	56.5 Å²	56.5	46%	0.455	27%	0.274	S	S	.	.			trans	-126.2	-11.9	-178.4	57.5	0	0	0	0	114	A210	S138-A210 WeakPolarHBondContact O-CB 3.1Å; S138-A210 PolarHBondContact O-N 2.7Å
139	V	98.6	Very high	95.9	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.7	-174.7	-62.5	0	0	0	0	112.4	F137 P195 Q207 I208	F137-V139 WeakPolarHBondContact CD2-O 3.49Å; V139-P195 HydrophobicContact CG2-CG 3.84Å; V139-Q207 HydrophobicContact CB-CB 4.41Å; V139-I208 CarbonylContact C-O 3.44Å; V139-I208 WeakPolarHBondContact CA-O 3.46Å; V139-I208 WeakPolarHBondContact CB-O 3.49Å
140	F	98.8	Very high	96	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.5	155.5	-66.5	-74.8	0	0	0	108.3	F137 F184 S185 C186 Q207 I208 A210 L213 F214 L239 L265 I286	F137-F140 HydrophobicContact CE2-CD1 4.31Å; F137-F140 AromaticContact CE2-CE1 3.92Å; F137-F140 HydrophobicContact CE2-CE1 3.92Å; F137-F140 HydrophobicContact CE2-CE2 4.19Å; F137-F140 AromaticContact CE2-CZ 3.84Å; F137-F140 HydrophobicContact CE2-CZ 3.84Å; F137-F140 HydrophobicContact CZ-CE1 4.06Å; F137-F140 HydrophobicContact CZ-CE2 4.48Å; F137-F140 AromaticContact CZ-CZ 3.83Å; F137-F140 HydrophobicContact CZ-CZ 3.83Å; F140-F184 HydrophobicContact CB-CB 4.06Å; F140-F184 HydrophobicContact CB-CD1 3.94Å; F140-F184 HydrophobicContact CB-CG 4.11Å; F140-F184 HydrophobicContact CD1-CB 4.49Å; F140-S185 WeakPolarHBondContact CA-O 3.38Å; F140-C186 HydrophobicContact CD1-CB 3.71Å; F140-C186 HydrophobicContact CE1-CB 3.78Å; F140-Q207 WeakPolarHBondContact O-CA 3.34Å; F140-I208 HydrophobicContact CB-CG2 3.98Å; F140-I208 PolarHBondContact N-O 3.22Å; F140-I208 PolarHBondContact O-N 3.28Å; F140-A210 HydrophobicContact CD2-CB 4.23Å; F140-A210 HydrophobicContact CE2-CB 3.95Å; F140-L213 HydrophobicContact CB-CD1 4.07Å; F140-L213 HydrophobicContact CD2-CB 3.88Å; F140-L213 HydrophobicContact CD2-CD1 3.93Å; F140-L213 HydrophobicContact CD2-CG 4.19Å; F140-L213 HydrophobicContact CE2-CB 4.03Å; F140-L213 HydrophobicContact CG-CD1 4.18Å; F140-F214 HydrophobicContact CE2-CB 3.7Å; F140-F214 HydrophobicContact CZ-CB 3.85Å; F140-F214 HydrophobicContact CZ-CD1 4.35Å; F140-F214 HydrophobicContact CZ-CG 4.47Å; F140-L239 HydrophobicContact CE1-CD1 4.1Å; F140-L239 HydrophobicContact CE2-CD1 4.03Å; F140-L239 HydrophobicContact CZ-CD1 3.66Å; F140-L265 HydrophobicContact CE1-CD2 4.17Å; F140-L265 HydrophobicContact CZ-CD2 4.18Å; F140-I286 HydrophobicContact CD1-CB 4.47Å; F140-I286 HydrophobicContact CD1-CG1 4.21Å; F140-I286 HydrophobicContact CD1-CG2 4.28Å; F140-I286 HydrophobicContact CE1-CB 4.5Å; F140-I286 HydrophobicContact CE1-CG1 4.03Å; F140-I286 HydrophobicContact CE1-CG2 4.07Å
141	Y	98.6	Very high	96.1	Very high	11 Å²	11	54 Å²	54	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.6	178.8	61.4	-89.5	0	0	0	112.4	F184 S185 N187 P195 P196 F206	Y141-F184 CarbonylContact O-C 3.28Å; Y141-F184 WeakPolarHBondContact O-CA 3.37Å; Y141-S185 VanDerWaalsContact CD1-O 3.29Å; Y141-S185 WeakPolarHBondContact CD1-O 3.2Å; Y141-S185 VanDerWaalsContact CE2-CB 3.49Å; Y141-S185 VanDerWaalsContact CZ-CB 3.49Å; Y141-S185 PolarHBondContact N-O 3.01Å; Y141-S185 PolarHBondContact O-N 2.93Å; Y141-N187 VanDerWaalsContact CE1-O 3.31Å; Y141-N187 WeakPolarHBondContact CE1-O 3.44Å; Y141-N187 PolarHBondContact OH-O 3.47Å; Y141-P195 HydrophobicContact CD1-CB 3.63Å; Y141-P195 HydrophobicContact CD1-CG 3.46Å; Y141-P195 VanDerWaalsContact CD1-CG 3.46Å; Y141-P195 HydrophobicContact CD2-CB 4.36Å; Y141-P195 HydrophobicContact CE1-CB 3.54Å; Y141-P195 HydrophobicContact CE1-CG 3.7Å; Y141-P195 HydrophobicContact CE2-CB 4.29Å; Y141-P195 HydrophobicContact CG-CB 4.05Å; Y141-P195 HydrophobicContact CG-CG 4.12Å; Y141-P196 VanDerWaalsContact OH-CD 3.23Å; Y141-P196 WeakPolarHBondContact OH-CD 3.43Å; Y141-F206 CarbonylContact C-O 3.49Å; Y141-F206 WeakPolarHBondContact CA-O 3.48Å; Y141-F206 WeakPolarHBondContact CB-O 3.41Å
142	R	97.9	Very high	96.3	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	174.5	178.5	176.6	177.5	87.8	-1.6	108.4	Y148 F149 Y163 F183 F184 R205 F206	R142-Y148 VanDerWaalsContact NE-CE1 3.33Å; R142-Y148 VanDerWaalsContact NE-CZ 3.35Å; R142-Y148 PolarHBondContact NE-OH 2.8Å; R142-Y148 VanDerWaalsContact NE-OH 3.12Å; R142-Y148 PolarHBondContact NH2-OH 2.87Å; R142-F149 HydrophobicContact CG-CZ 4.49Å; R142-F149 WeakPolarHBondContact O-CZ 3.05Å; R142-Y163 PolarHBondContact NH1-OH 3.35Å; R142-Y163 PolarHBondContact NH2-OH 2.79Å; R142-F183 WeakPolarHBondContact CD-O 3.15Å; R142-F183 WeakPolarHBondContact CG-O 3.32Å; R142-F183 PolarHBondContact NH1-O 2.87Å; R142-F184 HydrophobicContact CB-CD1 3.87Å; R142-F184 HydrophobicContact CB-CE1 4.04Å; R142-R205 WeakPolarHBondContact O-CA 3.34Å; R142-F206 PolarHBondContact N-O 2.79Å; R142-F206 PolarHBondContact O-N 3.23Å
143	N	97.4	Very high	96.8	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.059	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.4	172.5	-60.1	-53.4	0	0	0	110	S199 Y201 W204 R205	N143-S199 WeakPolarHBondContact CB-OG 3.37Å; N143-S199 PolarHBondContact ND2-OG 2.79Å; N143-Y201 HydrophobicContact CB-CD2 4.25Å; N143-Y201 VanDerWaalsContact O-CB 3.27Å; N143-Y201 WeakPolarHBondContact O-CB 3.37Å; N143-W204 CarbonylContact C-O 3.55Å; N143-W204 VanDerWaalsContact CA-O 3.23Å; N143-W204 WeakPolarHBondContact CA-O 3Å; N143-R205 VanDerWaalsContact OD1-CB 3.3Å; N143-R205 WeakPolarHBondContact OD1-CB 3.46Å; N143-R205 WeakPolarHBondContact OD1-CG 3.49Å; N143-R205 PolarHBondContact OD1-NE 3.07Å; N143-R205 PolarHBondContact OD1-NH2 2.85Å
144	H	96.1	Very high	96.9	Very high	47 Å²	47	55.7 Å²	55.7	22%	0.218	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	176.3	175.6	-146.5	-78.2	0	0	0	110.9	Y148 F149 G202 W204	H144-Y148 HydrophobicContact CB-CD1 3.75Å; H144-Y148 HydrophobicContact CB-CE1 4.46Å; H144-Y148 HydrophobicContact CB-CG 4.08Å; H144-Y148 AromaticContact CD2-CG 3.9Å; H144-Y148 AromaticContact CE1-CD2 3.72Å; H144-Y148 AromaticContact CE1-CG 3.7Å; H144-Y148 AromaticContact CG-CD1 3.69Å; H144-Y148 AromaticContact CG-CG 3.54Å; H144-Y148 WeakPolarHBondContact ND1-CB 3.43Å; H144-Y148 AromaticContact ND1-CD2 3.94Å; H144-Y148 AromaticContact ND1-CG 3.42Å; H144-Y148 AromaticContact NE2-CD2 3.75Å; H144-Y148 AromaticContact NE2-CG 3.97Å; H144-F149 HydrophobicContact CB-CD2 4.35Å; H144-F149 HydrophobicContact CB-CE2 3.55Å; H144-F149 HydrophobicContact CB-CZ 3.8Å; H144-G202 CarbonylContact O-C 3.41Å; H144-W204 PolarHBondContact N-O 2.85Å; H144-W204 WeakPolarHBondContact O-CA 3.2Å; H144-W204 WeakPolarHBondContact O-CB 3.39Å; H144-W204 PolarHBondContact O-N 2.82Å; H144-W204 VanDerWaalsContact O-O 3.14Å
145	H	95.2	Very high	96.8	Very high	83 Å²	83	60.3 Å²	60.3	38%	0.384	28%	0.282	S	S	.	.			trans	-62.6	152.4	164.2	-59	-75.4	0	0	0	112.4	E147 Y148 F149	H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 WeakPolarHBondContact CB-OE2 3.34Å; H145-E147 PolarHBondContact O-N 2.77Å; H145-Y148 WeakPolarHBondContact O-CB 3.46Å; H145-Y148 PolarHBondContact O-N 2.98Å; H145-F149 WeakPolarHBondContact O-CD2 3.44Å
146	K	95.9	Very high	96.7	Very high	85 Å²	85	60.8 Å²	60.8	37%	0.37	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-39.5	-178.7	-171	179.1	-177.2	178.8	0	111.8	Y148 F149 Q150 W204	K146-Y148 PolarHBondContact O-N 2.89Å; K146-F149 PolarHBondContact O-N 2.98Å; K146-F149 VanDerWaalsContact O-N 3.15Å; K146-Q150 HydrophobicContact CG-CG 4.27Å; K146-Q150 WeakPolarHBondContact O-CG 3.22Å; K146-Q150 PolarHBondContact O-N 2.85Å; K146-W204 HydrophobicContact CB-CD2 4.2Å; K146-W204 HydrophobicContact CB-CG 3.99Å; K146-W204 HydrophobicContact CD-CZ2 3.7Å; K146-W204 HydrophobicContact CG-CD2 3.98Å; K146-W204 HydrophobicContact CG-CG 4.3Å; K146-W204 HydrophobicContact CG-CZ2 3.98Å
147	E	96.8	Very high	96.7	Very high	118 Å²	118	57.6 Å²	57.6	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-34.7	-175.7	-64.3	66.6	-143.5	0	0	111.1	H145 Q150 H151	H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 WeakPolarHBondContact CB-OE2 3.34Å; H145-E147 PolarHBondContact O-N 2.77Å; E147-Q150 PolarHBondContact O-N 3.25Å; E147-H151 VanDerWaalsContact O-CB 3.29Å; E147-H151 WeakPolarHBondContact O-CB 3.12Å; E147-H151 PolarHBondContact O-N 3.03Å
148	Y	96.2	Very high	96.6	Very high	50 Å²	50	59.1 Å²	59.1	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-47.7	175.2	170	-91.5	0	0	0	111.9	R142 H144 H145 K146 H151 A152 L160	R142-Y148 VanDerWaalsContact NE-CE1 3.33Å; R142-Y148 VanDerWaalsContact NE-CZ 3.35Å; R142-Y148 PolarHBondContact NE-OH 2.8Å; R142-Y148 VanDerWaalsContact NE-OH 3.12Å; R142-Y148 PolarHBondContact NH2-OH 2.87Å; H144-Y148 HydrophobicContact CB-CD1 3.75Å; H144-Y148 HydrophobicContact CB-CE1 4.46Å; H144-Y148 HydrophobicContact CB-CG 4.08Å; H144-Y148 AromaticContact CD2-CG 3.9Å; H144-Y148 AromaticContact CE1-CD2 3.72Å; H144-Y148 AromaticContact CE1-CG 3.7Å; H144-Y148 AromaticContact CG-CD1 3.69Å; H144-Y148 AromaticContact CG-CG 3.54Å; H144-Y148 WeakPolarHBondContact ND1-CB 3.43Å; H144-Y148 AromaticContact ND1-CD2 3.94Å; H144-Y148 AromaticContact ND1-CG 3.42Å; H144-Y148 AromaticContact NE2-CD2 3.75Å; H144-Y148 AromaticContact NE2-CG 3.97Å; H145-Y148 WeakPolarHBondContact O-CB 3.46Å; H145-Y148 PolarHBondContact O-N 2.98Å; K146-Y148 PolarHBondContact O-N 2.89Å; Y148-H151 PolarHBondContact O-N 3.45Å; Y148-A152 PolarHBondContact O-N 3.42Å; Y148-L160 HydrophobicContact CE1-CD2 3.66Å
149	F	97.6	Very high	96.6	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-71.1	-35.8	178	-61.8	-70.7	0	0	0	111.8	R142 H144 H145 K146 H151 A152 R153 L160 W204 F206 L294 L299	R142-F149 HydrophobicContact CG-CZ 4.49Å; R142-F149 WeakPolarHBondContact O-CZ 3.05Å; H144-F149 HydrophobicContact CB-CD2 4.35Å; H144-F149 HydrophobicContact CB-CE2 3.55Å; H144-F149 HydrophobicContact CB-CZ 3.8Å; H145-F149 WeakPolarHBondContact O-CD2 3.44Å; K146-F149 PolarHBondContact O-N 2.98Å; K146-F149 VanDerWaalsContact O-N 3.15Å; F149-H151 VanDerWaalsContact C-N 3.34Å; F149-A152 PolarHBondContact O-N 3.34Å; F149-R153 WeakPolarHBondContact O-CG 3.4Å; F149-R153 PolarHBondContact O-N 2.88Å; F149-L160 HydrophobicContact CD1-CD2 4.15Å; F149-L160 HydrophobicContact CE1-CD2 4.33Å; F149-W204 HydrophobicContact CD2-CB 3.79Å; F149-W204 HydrophobicContact CE2-CB 3.73Å; F149-W204 WeakPolarHBondContact CE2-O 3.41Å; F149-F206 HydrophobicContact CD1-CB 4.28Å; F149-F206 HydrophobicContact CE1-CB 3.53Å; F149-F206 HydrophobicContact CZ-CB 3.99Å; F149-L294 HydrophobicContact CD1-CD2 4.25Å; F149-L299 HydrophobicContact CB-CD1 4.13Å; F149-L299 HydrophobicContact CB-CD2 3.67Å; F149-L299 HydrophobicContact CD1-CD1 3.84Å; F149-L299 HydrophobicContact CD2-CD1 3.68Å; F149-L299 HydrophobicContact CE1-CD1 4.13Å; F149-L299 HydrophobicContact CE2-CD1 3.96Å; F149-L299 HydrophobicContact CG-CD1 3.6Å; F149-L299 HydrophobicContact CG-CD2 4.09Å; F149-L299 HydrophobicContact CZ-CD1 4.18Å
150	Q	96.9	Very high	96.6	Very high	88 Å²	88	57.1 Å²	57.1	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.3	-74.7	177.5	-32.2	0	0	111.5	K146 E147 R153 T154	K146-Q150 HydrophobicContact CG-CG 4.27Å; K146-Q150 WeakPolarHBondContact O-CG 3.22Å; K146-Q150 PolarHBondContact O-N 2.85Å; E147-Q150 PolarHBondContact O-N 3.25Å; Q150-R153 PolarHBondContact O-N 3.19Å; Q150-T154 WeakPolarHBondContact O-CB 3.29Å; Q150-T154 WeakPolarHBondContact O-CG2 3.34Å; Q150-T154 PolarHBondContact O-N 2.92Å; Q150-T154 PolarHBondContact O-OG1 2.79Å
151	H	96.4	Very high	96.5	Very high	101 Å²	101	61.3 Å²	61.3	47%	0.468	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-48.1	174.8	178.2	-95.2	0	0	0	111.2	E147 Y148 F149 R153 T154 H155 C156	E147-H151 VanDerWaalsContact O-CB 3.29Å; E147-H151 WeakPolarHBondContact O-CB 3.12Å; E147-H151 PolarHBondContact O-N 3.03Å; Y148-H151 PolarHBondContact O-N 3.45Å; F149-H151 VanDerWaalsContact C-N 3.34Å; H151-R153 VanDerWaalsContact C-N 3.31Å; H151-R153 PolarHBondContact O-N 3.04Å; H151-T154 PolarHBondContact O-N 3.33Å; H151-H155 AromaticContact CD2-CG 3.89Å; H151-H155 AromaticContact CD2-ND1 3.76Å; H151-H155 WeakPolarHBondContact O-CB 3.16Å; H151-H155 PolarHBondContact O-N 2.89Å; H151-C156 VanDerWaalsContact CE1-SG 3.55Å; H151-C156 PolarHBondContact O-N 2.78Å
152	A	96.2	Very high	96.5	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-43.1	175.9	0	0	0	0	0	112.7	Y148 F149 C156 N158 L160 L294	Y148-A152 PolarHBondContact O-N 3.42Å; F149-A152 PolarHBondContact O-N 3.34Å; A152-C156 CarbonylContact O-C 3.56Å; A152-C156 WeakPolarHBondContact O-CA 3.45Å; A152-C156 WeakPolarHBondContact O-CB 3.36Å; A152-C156 PolarHBondContact O-N 3.2Å; A152-N158 WeakPolarHBondContact O-CA 3.2Å; A152-N158 PolarHBondContact O-N 2.9Å; A152-N158 VanDerWaalsContact O-N 3.09Å; A152-L160 HydrophobicContact CB-CD2 3.9Å; A152-L294 HydrophobicContact CB-CD1 3.9Å
153	R	94.6	Very high	96.4	Very high	157 Å²	157	66 Å²	66	59%	0.592	33%	0.328	S	S	*	.	H	α-helix	trans	-64.6	-41.5	177.4	-73.5	-175.7	65.1	-172.8	-2.4	113.7	F149 Q150 H151 L294	F149-R153 WeakPolarHBondContact O-CG 3.4Å; F149-R153 PolarHBondContact O-N 2.88Å; Q150-R153 PolarHBondContact O-N 3.19Å; H151-R153 VanDerWaalsContact C-N 3.31Å; H151-R153 PolarHBondContact O-N 3.04Å; R153-L294 HydrophobicContact CG-CD1 3.66Å
154	T	95.8	Very high	96.3	Very high	100 Å²	100	69.1 Å²	69.1	61%	0.613	34%	0.344	S	S	*	.	H	α-helix	trans	-95.5	-31	-168.9	49.5	0	0	0	0	113.6	Q150 H151	Q150-T154 WeakPolarHBondContact O-CB 3.29Å; Q150-T154 WeakPolarHBondContact O-CG2 3.34Å; Q150-T154 PolarHBondContact O-N 2.92Å; Q150-T154 PolarHBondContact O-OG1 2.79Å; H151-T154 PolarHBondContact O-N 3.33Å
155	H	95.6	Very high	96.3	Very high	142 Å²	142	67 Å²	67	66%	0.657	34%	0.335	S	S	*	.	H	α-helix	trans	-119.3	-17.3	-172.1	-59.7	84.2	0	0	0	113.8	H151	H151-H155 AromaticContact CD2-CG 3.89Å; H151-H155 AromaticContact CD2-ND1 3.76Å; H151-H155 WeakPolarHBondContact O-CB 3.16Å; H151-H155 PolarHBondContact O-N 2.89Å
156	C	95.7	Very high	96.2	Very high	29 Å²	29	65.2 Å²	65.2	20%	0.196	33%	0.328	C	S	.	.	S	Bend	trans	-113	23.1	-178.5	-52.2	0	0	0	0	113.2	H151 A152 N158 M159 Q161	H151-C156 VanDerWaalsContact CE1-SG 3.55Å; H151-C156 PolarHBondContact O-N 2.78Å; A152-C156 CarbonylContact O-C 3.56Å; A152-C156 WeakPolarHBondContact O-CA 3.45Å; A152-C156 WeakPolarHBondContact O-CB 3.36Å; A152-C156 PolarHBondContact O-N 3.2Å; C156-N158 VanDerWaalsContact C-N 3.3Å; C156-N158 PolarHBondContact O-N 2.96Å; C156-M159 WeakPolarHBondContact CB-O 3.29Å; C156-M159 VanDerWaalsContact O-CB 3.32Å; C156-M159 WeakPolarHBondContact O-CB 3.47Å; C156-M159 PolarHBondContact O-N 3.29Å; C156-M159 VanDerWaalsContact O-N 3.08Å; C156-Q161 HydrophobicContact CB-CG 3.94Å
157	G	94.4	Very high	95.9	Very high	67 Å²	67	65.8 Å²	65.8	69%	0.691	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	36.2	177.3	0	0	0	0	0	113.5	M159	G157-M159 PolarHBondContact O-N 2.89Å
158	N	96.6	Very high	95.6	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	16.7	-175.6	-157.9	60.1	0	0	0	115.2	A152 C156 D293 L294 S295	A152-N158 WeakPolarHBondContact O-CA 3.2Å; A152-N158 PolarHBondContact O-N 2.9Å; A152-N158 VanDerWaalsContact O-N 3.09Å; C156-N158 VanDerWaalsContact C-N 3.3Å; C156-N158 PolarHBondContact O-N 2.96Å; N158-D293 PolarHBondContact ND2-OD1 2.97Å; N158-L294 WeakPolarHBondContact O-CB 3.46Å; N158-L294 PolarHBondContact O-N 3.48Å; N158-S295 PolarHBondContact ND2-N 3Å
159	M	97.8	Very high	95.5	Very high	46 Å²	46	57.9 Å²	57.9	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.6	-179.4	-56.8	-65.9	-68.5	0	0	111.9	C156 G157 Q161 P291 V292 D293	C156-M159 WeakPolarHBondContact CB-O 3.29Å; C156-M159 VanDerWaalsContact O-CB 3.32Å; C156-M159 WeakPolarHBondContact O-CB 3.47Å; C156-M159 PolarHBondContact O-N 3.29Å; C156-M159 VanDerWaalsContact O-N 3.08Å; G157-M159 PolarHBondContact O-N 2.89Å; M159-Q161 PolarHBondContact O-N 2.64Å; M159-P291 HydrophobicContact CE-CB 3.51Å; M159-V292 CarbonylContact C-O 3.59Å; M159-V292 WeakPolarHBondContact CA-O 3.27Å; M159-D293 HydrophobicContact CE-CB 4.14Å; M159-D293 WeakPolarHBondContact SD-CA 3.45Å; M159-D293 HydrophobicContact SD-CB 3.5Å; M159-D293 VanDerWaalsContact SD-CB 3.5Å
160	L	98	Very high	95.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	111.4	157.6	-60.4	-177.2	0	0	0	108	Y148 F149 A152 V182 F184 F206 P291 V292 L294	Y148-L160 HydrophobicContact CE1-CD2 3.66Å; F149-L160 HydrophobicContact CD1-CD2 4.15Å; F149-L160 HydrophobicContact CE1-CD2 4.33Å; A152-L160 HydrophobicContact CB-CD2 3.9Å; L160-V182 HydrophobicContact CB-CG1 3.91Å; L160-V182 HydrophobicContact CB-CG2 4.17Å; L160-V182 HydrophobicContact CD1-CG1 3.98Å; L160-V182 WeakPolarHBondContact O-CG2 3.31Å; L160-F184 HydrophobicContact CD1-CZ 4.33Å; L160-F206 HydrophobicContact CD1-CD1 3.67Å; L160-F206 HydrophobicContact CD1-CE1 3.97Å; L160-F206 HydrophobicContact CD1-CG 4.43Å; L160-P291 WeakPolarHBondContact O-CA 3.43Å; L160-V292 HydrophobicContact CB-CB 4.28Å; L160-V292 PolarHBondContact N-O 3.46Å; L160-V292 PolarHBondContact O-N 3.28Å; L160-L294 HydrophobicContact CD1-CD2 3.97Å; L160-L294 HydrophobicContact CD2-CD1 4.36Å; L160-L294 HydrophobicContact CD2-CD2 3.82Å; L160-L294 HydrophobicContact CD2-CG 4.21Å; L160-L294 HydrophobicContact CG-CD2 3.71Å; L160-L294 HydrophobicContact CG-CG 4.09Å
161	Q	97.4	Very high	94.7	Very high	87 Å²	87	59 Å²	59	41%	0.407	31%	0.306	S	S	.	.			trans	-84.8	137.8	-178.8	-66.2	-64.4	-19	0	0	110.9	C156 M159 Y163	C156-Q161 HydrophobicContact CB-CG 3.94Å; M159-Q161 PolarHBondContact O-N 2.64Å; Q161-Y163 PolarHBondContact O-N 2.8Å
162	P	97.7	Very high	94.3	Very high	31 Å²	31	54.3 Å²	54.3	20%	0.201	28%	0.284	C	S	.	.			trans	-58.4	136.7	171.1	-24.9	36.7	0	0	0	110.7	H180 G181 V182 P291	P162-H180 HydrophobicContact CB-CB 3.94Å; P162-G181 WeakPolarHBondContact CA-O 3.33Å; P162-V182 HydrophobicContact CG-CG2 4.31Å; P162-P291 HydrophobicContact CG-CG 4.06Å
163	Y	95.6	Very high	94.2	Very high	91 Å²	91	54.1 Å²	54.1	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	163.3	171.7	64.4	-89.4	0	0	0	110.1	R142 Q161 K165 H180 G181 F183	R142-Y163 PolarHBondContact NH1-OH 3.35Å; R142-Y163 PolarHBondContact NH2-OH 2.79Å; Q161-Y163 PolarHBondContact O-N 2.8Å; Y163-K165 PolarHBondContact O-N 3.36Å; Y163-H180 WeakPolarHBondContact O-CA 3.39Å; Y163-G181 PolarHBondContact N-O 3.41Å; Y163-G181 PolarHBondContact O-N 3.11Å; Y163-F183 HydrophobicContact CD1-CD2 4.42Å; Y163-F183 HydrophobicContact CD1-CE2 4.1Å; Y163-F183 AromaticContact CD2-CE2 3.76Å; Y163-F183 HydrophobicContact CD2-CE2 3.76Å; Y163-F183 AromaticContact CE1-CD2 3.62Å; Y163-F183 HydrophobicContact CE1-CD2 3.62Å; Y163-F183 AromaticContact CE1-CE2 3.69Å; Y163-F183 HydrophobicContact CE1-CE2 3.69Å; Y163-F183 AromaticContact CE2-CD2 3.76Å; Y163-F183 HydrophobicContact CE2-CD2 3.76Å; Y163-F183 AromaticContact CE2-CE2 3.3Å; Y163-F183 HydrophobicContact CE2-CE2 3.3Å; Y163-F183 HydrophobicContact CE2-CZ 4.25Å; Y163-F183 HydrophobicContact CG-CE2 4.14Å; Y163-F183 AromaticContact CZ-CD2 3.23Å; Y163-F183 AromaticContact CZ-CE2 3.27Å; Y163-F183 WeakPolarHBondContact OH-CD2 3.26Å
164	L	96.4	Very high	94.2	Very high	77 Å²	77	47 Å²	47	40%	0.403	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.9	-175.3	-160	65.6	0	0	0	110.9	D166 G177	L164-D166 PolarHBondContact O-N 3.32Å; L164-G177 VanDerWaalsContact CD1-C 3.43Å; L164-G177 WeakPolarHBondContact CD1-O 3.13Å
165	K	95.5	Very high	94.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.017	23%	0.227	C	C	.	.			trans	-57.1	129.7	170.5	172.8	63.3	-178.3	66.8	0	109.4	Y163 S168 G177 L179 F183 I287	Y163-K165 PolarHBondContact O-N 3.36Å; K165-S168 PolarHBondContact NZ-O 2.93Å; K165-S168 PolarHBondContact NZ-OG 3Å; K165-G177 PolarHBondContact O-N 2.94Å; K165-L179 PolarHBondContact N-O 3.11Å; K165-F183 HydrophobicContact CB-CE1 4.09Å; K165-F183 HydrophobicContact CB-CZ 4.01Å; K165-F183 HydrophobicContact CD-CD1 4.33Å; K165-F183 HydrophobicContact CD-CE1 3.51Å; K165-F183 HydrophobicContact CD-CZ 4.17Å; K165-F183 HydrophobicContact CG-CE1 4.35Å; K165-I287 HydrophobicContact CD-CD1 3.94Å; K165-I287 HydrophobicContact CG-CD1 4.3Å
166	D	92.6	Very high	94.1	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.241	20%	0.196	C	C	.	.			trans	-68.7	-177.6	175.6	70.8	-9.2	0	0	0	111.8	L164 S168 S176 A313 D314	L164-D166 PolarHBondContact O-N 3.32Å; D166-S168 PolarHBondContact O-N 3Å; D166-S168 PolarHBondContact OD1-N 3.42Å; D166-S168 PolarHBondContact OD1-OG 3.34Å; D166-S176 PolarHBondContact O-OG 2.68Å; D166-A313 WeakPolarHBondContact OD2-CA 3.14Å; D166-D314 PolarHBondContact OD2-N 2.7Å
167	N	90.2	Very high	93.8	Very high	96 Å²	96	35.5 Å²	35.5	51%	0.513	20%	0.202	S	C	.	.	S	Bend	trans	-89.4	16.3	-177.3	-62	-61.7	0	0	0	113.5	D314	N167-D314 PolarHBondContact N-OD1 2.87Å
168	S	91.4	Very high	93.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	20%	0.195	C	C	.	.			trans	-64	146.6	174.7	78.2	0	0	0	0	111.1	K165 D166 T312 A315	K165-S168 PolarHBondContact NZ-O 2.93Å; K165-S168 PolarHBondContact NZ-OG 3Å; D166-S168 PolarHBondContact O-N 3Å; D166-S168 PolarHBondContact OD1-N 3.42Å; D166-S168 PolarHBondContact OD1-OG 3.34Å; S168-T312 WeakPolarHBondContact CB-O 3.33Å; S168-A315 VanDerWaalsContact CA-O 3.28Å; S168-A315 WeakPolarHBondContact CA-O 3.35Å
169	G	92.9	Very high	93.9	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.021	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	96.7	-151.5	-177.4	0	0	0	0	0	114.3	Y226 A315 K317	G169-Y226 VanDerWaalsContact CA-CG 3.49Å; G169-A315 PolarHBondContact N-O 3.01Å; G169-K317 VanDerWaalsContact O-CB 3.23Å; G169-K317 WeakPolarHBondContact O-CB 3.34Å; G169-K317 PolarHBondContact O-N 2.81Å
170	S	91.7	Very high	93.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	20%	0.196	C	C	.	.			trans	-68.8	130.5	176.6	-61	0	0	0	0	110.1	G172 S173 D224 K317	S170-G172 PolarHBondContact O-N 3.15Å; S170-G172 VanDerWaalsContact O-N 3.12Å; S170-S173 VanDerWaalsContact O-CB 3.25Å; S170-S173 WeakPolarHBondContact O-CB 3.45Å; S170-S173 PolarHBondContact O-N 3.4Å; S170-D224 VanDerWaalsContact CB-OD1 3.29Å; S170-D224 WeakPolarHBondContact CB-OD1 3.38Å; S170-D224 VanDerWaalsContact CB-OD2 3.29Å; S170-D224 WeakPolarHBondContact CB-OD2 3.19Å; S170-D224 PolarHBondContact N-OD2 3.36Å; S170-D224 PolarHBondContact OG-OD1 2.73Å; S170-D224 PolarHBondContact OG-OD2 2.79Å; S170-K317 VanDerWaalsContact OG-CD 3.26Å; S170-K317 WeakPolarHBondContact OG-CD 3.27Å; S170-K317 PolarHBondContact OG-NZ 2.89Å
171	H	86.8	Confident	93.9	Very high	112 Å²	112	38.3 Å²	38.3	52%	0.519	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.7	178.2	-176.3	70.9	0	0	0	113.3	P80 R81	P80-H171 PolarHBondContact O-CD2 3.26Å; R81-H171 PolarHBondContact O-NE2 3.46Å
172	G	88.3	Confident	93.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.5	176.1	0	0	0	0	0	116.1	Y115 S170	Y115-G172 PolarHBondContact N-O 3.31Å; S170-G172 PolarHBondContact O-N 3.15Å; S170-G172 VanDerWaalsContact O-N 3.12Å
173	S	94	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.			trans	-64.7	125.9	-177.1	-179.3	0	0	0	0	110.7	R81 S170 T175 S176	R81-S173 PolarHBondContact NH2-O 3.02Å; S170-S173 VanDerWaalsContact O-CB 3.25Å; S170-S173 WeakPolarHBondContact O-CB 3.45Å; S170-S173 PolarHBondContact O-N 3.4Å; S173-T175 PolarHBondContact O-N 2.95Å; S173-T175 VanDerWaalsContact O-N 3.11Å; S173-T175 PolarHBondContact OG-OG1 3.13Å; S173-T175 VanDerWaalsContact OG-OG1 3.11Å; S173-S176 PolarHBondContact O-N 2.97Å
174	P	94.7	Very high	94.1	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.045	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.1	-178.1	28.3	-34.7	0	0	0	113.3	D114 L120 F249 L254	D114-P174 HydrophobicContact CB-CB 4.23Å; L120-P174 HydrophobicContact CD1-CG 3.94Å; P174-F249 WeakPolarHBondContact O-CZ 3.45Å; P174-L254 HydrophobicContact CG-CD2 3.73Å
175	T	95.3	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-32.4	176.1	60.9	0	0	0	0	112.9	S173 G177 M178 L179 A223 L254	S173-T175 PolarHBondContact O-N 2.95Å; S173-T175 VanDerWaalsContact O-N 3.11Å; S173-T175 PolarHBondContact OG-OG1 3.13Å; S173-T175 VanDerWaalsContact OG-OG1 3.11Å; T175-G177 PolarHBondContact O-N 3.26Å; T175-M178 PolarHBondContact O-N 2.85Å; T175-L179 HydrophobicContact CG2-CB 4.34Å; T175-L179 HydrophobicContact CG2-CD2 3.91Å; T175-L179 PolarHBondContact O-N 3.29Å; T175-A223 HydrophobicContact CG2-CB 3.88Å; T175-L254 HydrophobicContact CG2-CD1 3.94Å; T175-L254 HydrophobicContact CG2-CD2 4.12Å
176	S	92.4	Very high	94.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	120.9	-176.8	-60.4	0	0	0	0	111.1	R81 D166 S173 M178	R81-S176 PolarHBondContact NH1-O 2.84Å; R81-S176 PolarHBondContact NH2-O 3.44Å; D166-S176 PolarHBondContact O-OG 2.68Å; S173-S176 PolarHBondContact O-N 2.97Å; S176-M178 PolarHBondContact O-N 3.43Å
177	G	90.6	Very high	94.5	Very high	30 Å²	30	25.8 Å²	25.8	31%	0.309	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	8.6	-177.9	0	0	0	0	0	115.1	L164 K165 T175	L164-G177 VanDerWaalsContact CD1-C 3.43Å; L164-G177 WeakPolarHBondContact CD1-O 3.13Å; K165-G177 PolarHBondContact O-N 2.94Å; T175-G177 PolarHBondContact O-N 3.26Å
178	M	94.3	Very high	94.8	Very high	112 Å²	112	22 Å²	22	55%	0.552	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.5	-41	-174.8	-66	-68.1	-178.7	0	0	113.5	T175 S176 F249	T175-M178 PolarHBondContact O-N 2.85Å; S176-M178 PolarHBondContact O-N 3.43Å; M178-F249 HydrophobicContact CB-CE2 4.01Å; M178-F249 HydrophobicContact CB-CZ 3.74Å
179	L	97.4	Very high	94.9	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.132	C	C	.	.			trans	-90.6	131.4	-178.2	-177.5	63.4	0	0	0	110.7	K165 T175 V238 F249 I287 T289	K165-L179 PolarHBondContact N-O 3.11Å; T175-L179 HydrophobicContact CG2-CB 4.34Å; T175-L179 HydrophobicContact CG2-CD2 3.91Å; T175-L179 PolarHBondContact O-N 3.29Å; L179-V238 HydrophobicContact CD2-CB 4.45Å; L179-V238 HydrophobicContact CD2-CG1 3.85Å; L179-V238 HydrophobicContact CD2-CG2 3.69Å; L179-F249 HydrophobicContact CB-CD1 4.4Å; L179-F249 HydrophobicContact CB-CE1 3.94Å; L179-F249 HydrophobicContact CB-CZ 4.39Å; L179-F249 HydrophobicContact CD1-CD1 3.69Å; L179-F249 HydrophobicContact CD1-CE1 4.12Å; L179-F249 HydrophobicContact CD1-CG 4.24Å; L179-F249 HydrophobicContact CG-CD1 4.49Å; L179-F249 HydrophobicContact CG-CE1 4.47Å; L179-I287 HydrophobicContact CD2-CD1 4.29Å; L179-I287 HydrophobicContact CD2-CG2 4.08Å; L179-T289 HydrophobicContact CD1-CG2 4.03Å; L179-T289 HydrophobicContact CD2-CG2 4.5Å
180	H	98.1	Very high	94.7	Very high	101 Å²	101	32.6 Å²	32.6	47%	0.468	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.3	168.8	-70.1	71.7	0	0	0	110.2	P162 Y163	P162-H180 HydrophobicContact CB-CB 3.94Å; Y163-H180 WeakPolarHBondContact O-CA 3.39Å
181	G	98.4	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	172.7	172.6	0	0	0	0	0	113.5	P162 Y163 F183 Y288	P162-G181 WeakPolarHBondContact CA-O 3.33Å; Y163-G181 PolarHBondContact N-O 3.41Å; Y163-G181 PolarHBondContact O-N 3.11Å; G181-F183 WeakPolarHBondContact O-CE2 3.48Å; G181-Y288 CarbonylContact C-O 3.58Å; G181-Y288 WeakPolarHBondContact CA-O 3.5Å
182	V	98.4	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.8	167.8	-174.2	0	0	0	0	107.4	L160 P162 F184 Y288 V292	L160-V182 HydrophobicContact CB-CG1 3.91Å; L160-V182 HydrophobicContact CB-CG2 4.17Å; L160-V182 HydrophobicContact CD1-CG1 3.98Å; L160-V182 WeakPolarHBondContact O-CG2 3.31Å; P162-V182 HydrophobicContact CG-CG2 4.31Å; V182-F184 HydrophobicContact CB-CD2 4.47Å; V182-F184 HydrophobicContact CB-CE2 3.74Å; V182-F184 HydrophobicContact CB-CZ 4.43Å; V182-F184 HydrophobicContact CG1-CD2 4.19Å; V182-F184 HydrophobicContact CG1-CE2 3.4Å; V182-F184 HydrophobicContact CG1-CZ 3.68Å; V182-F184 WeakPolarHBondContact O-CD2 3.28Å; V182-Y288 PolarHBondContact N-O 2.81Å; V182-Y288 PolarHBondContact O-N 2.87Å; V182-V292 HydrophobicContact CB-CG2 4.43Å; V182-V292 HydrophobicContact CG2-CG2 4.33Å
183	F	97.5	Very high	95	Very high	35 Å²	35	37.3 Å²	37.3	15%	0.154	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.1	-171.4	-49.3	-96.5	0	0	0	110.9	R142 Y163 K165 G181 I286 I287	R142-F183 WeakPolarHBondContact CD-O 3.15Å; R142-F183 WeakPolarHBondContact CG-O 3.32Å; R142-F183 PolarHBondContact NH1-O 2.87Å; Y163-F183 HydrophobicContact CD1-CD2 4.42Å; Y163-F183 HydrophobicContact CD1-CE2 4.1Å; Y163-F183 AromaticContact CD2-CE2 3.76Å; Y163-F183 HydrophobicContact CD2-CE2 3.76Å; Y163-F183 AromaticContact CE1-CD2 3.62Å; Y163-F183 HydrophobicContact CE1-CD2 3.62Å; Y163-F183 AromaticContact CE1-CE2 3.69Å; Y163-F183 HydrophobicContact CE1-CE2 3.69Å; Y163-F183 AromaticContact CE2-CD2 3.76Å; Y163-F183 HydrophobicContact CE2-CD2 3.76Å; Y163-F183 AromaticContact CE2-CE2 3.3Å; Y163-F183 HydrophobicContact CE2-CE2 3.3Å; Y163-F183 HydrophobicContact CE2-CZ 4.25Å; Y163-F183 HydrophobicContact CG-CE2 4.14Å; Y163-F183 AromaticContact CZ-CD2 3.23Å; Y163-F183 AromaticContact CZ-CE2 3.27Å; Y163-F183 WeakPolarHBondContact OH-CD2 3.26Å; K165-F183 HydrophobicContact CB-CE1 4.09Å; K165-F183 HydrophobicContact CB-CZ 4.01Å; K165-F183 HydrophobicContact CD-CD1 4.33Å; K165-F183 HydrophobicContact CD-CE1 3.51Å; K165-F183 HydrophobicContact CD-CZ 4.17Å; K165-F183 HydrophobicContact CG-CE1 4.35Å; G181-F183 WeakPolarHBondContact O-CE2 3.48Å; F183-I286 CarbonylContact C-O 3.54Å; F183-I286 WeakPolarHBondContact CA-O 3.34Å; F183-I287 HydrophobicContact CD1-CD1 4.36Å; F183-I287 HydrophobicContact CD1-CG1 3.79Å; F183-I287 HydrophobicContact CE1-CB 4.41Å; F183-I287 HydrophobicContact CE1-CD1 3.84Å; F183-I287 HydrophobicContact CE1-CG1 3.71Å; F183-I287 HydrophobicContact CE1-CG2 4.05Å
184	F	98.6	Very high	95.1	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.6	-178.7	-66.1	-90.3	0	0	0	110.9	F140 Y141 R142 L160 V182 F206 I208 L213 I286 V292	F140-F184 HydrophobicContact CB-CB 4.06Å; F140-F184 HydrophobicContact CB-CD1 3.94Å; F140-F184 HydrophobicContact CB-CG 4.11Å; F140-F184 HydrophobicContact CD1-CB 4.49Å; Y141-F184 CarbonylContact O-C 3.28Å; Y141-F184 WeakPolarHBondContact O-CA 3.37Å; R142-F184 HydrophobicContact CB-CD1 3.87Å; R142-F184 HydrophobicContact CB-CE1 4.04Å; L160-F184 HydrophobicContact CD1-CZ 4.33Å; V182-F184 HydrophobicContact CB-CD2 4.47Å; V182-F184 HydrophobicContact CB-CE2 3.74Å; V182-F184 HydrophobicContact CB-CZ 4.43Å; V182-F184 HydrophobicContact CG1-CD2 4.19Å; V182-F184 HydrophobicContact CG1-CE2 3.4Å; V182-F184 HydrophobicContact CG1-CZ 3.68Å; V182-F184 WeakPolarHBondContact O-CD2 3.28Å; F184-F206 AromaticContact CE1-CD1 3.92Å; F184-F206 HydrophobicContact CE1-CD1 3.92Å; F184-F206 HydrophobicContact CE1-CE1 4.11Å; F184-F206 HydrophobicContact CZ-CD1 4.5Å; F184-F206 HydrophobicContact CZ-CE1 4.4Å; F184-I208 HydrophobicContact CE1-CG2 4Å; F184-I208 HydrophobicContact CZ-CG2 4.49Å; F184-L213 HydrophobicContact CD2-CD1 4Å; F184-L213 HydrophobicContact CE1-CD1 4.33Å; F184-L213 HydrophobicContact CE2-CD1 3.72Å; F184-L213 HydrophobicContact CG-CD1 4.43Å; F184-L213 HydrophobicContact CZ-CD1 3.92Å; F184-I286 HydrophobicContact CB-CB 4.22Å; F184-I286 PolarHBondContact N-O 2.72Å; F184-I286 PolarHBondContact O-N 3.29Å; F184-V292 HydrophobicContact CE2-CG2 4.09Å; F184-V292 HydrophobicContact CZ-CB 4.41Å; F184-V292 HydrophobicContact CZ-CG1 4.3Å; F184-V292 HydrophobicContact CZ-CG2 4.04Å
185	S	98.1	Very high	95.2	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159.4	165.2	-57.5	0	0	0	0	108.9	F140 Y141	F140-S185 WeakPolarHBondContact CA-O 3.38Å; Y141-S185 VanDerWaalsContact CD1-O 3.29Å; Y141-S185 WeakPolarHBondContact CD1-O 3.2Å; Y141-S185 VanDerWaalsContact CE2-CB 3.49Å; Y141-S185 VanDerWaalsContact CZ-CB 3.49Å; Y141-S185 PolarHBondContact N-O 3.01Å; Y141-S185 PolarHBondContact O-N 2.93Å
186	C	98.3	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.			trans	-135.7	-2.7	174	59.7	0	0	0	0	113.5	F137 F140 T188 H278	F137-C186 HydrophobicContact CD2-CB 3.77Å; F137-C186 HydrophobicContact CE2-CB 3.68Å; F137-C186 HydrophobicContact CG-CB 4.27Å; F137-C186 HydrophobicContact CZ-CB 4.11Å; F140-C186 HydrophobicContact CD1-CB 3.71Å; F140-C186 HydrophobicContact CE1-CB 3.78Å; C186-T188 PolarHBondContact O-N 3.12Å; C186-H278 PolarHBondContact O-CD2 3.11Å
187	N	97.1	Very high	95.2	Very high	17 Å²	17	47.1 Å²	47.1	9%	0.091	25%	0.25	C	C	.	.			trans	-57.6	139.2	177.3	-65.8	92.4	0	0	0	111.1	Y141 P196 L282 L284	Y141-N187 VanDerWaalsContact CE1-O 3.31Å; Y141-N187 WeakPolarHBondContact CE1-O 3.44Å; Y141-N187 PolarHBondContact OH-O 3.47Å; N187-P196 WeakPolarHBondContact O-CD 3.19Å; N187-L282 PolarHBondContact ND2-O 2.84Å; N187-L284 PolarHBondContact OD1-N 3.04Å
188	T	97.3	Very high	95.4	Very high	17 Å²	17	48.7 Å²	48.7	10%	0.104	25%	0.251	C	S	.	.			trans	-115.9	153.8	176.3	67.8	0	0	0	0	112	F137 C186 G193 Q194 H278	F137-T188 HydrophobicContact CB-CG2 3.65Å; C186-T188 PolarHBondContact O-N 3.12Å; T188-G193 VanDerWaalsContact CB-C 3.49Å; T188-G193 VanDerWaalsContact CG2-O 3.3Å; T188-G193 WeakPolarHBondContact CG2-O 3.42Å; T188-Q194 CarbonylContact C-O 3.47Å; T188-Q194 VanDerWaalsContact CA-O 3.24Å; T188-Q194 WeakPolarHBondContact CA-O 3.28Å; T188-Q194 WeakPolarHBondContact CB-O 3.39Å; T188-H278 PolarHBondContact N-CE1 3.28Å; T188-H278 PolarHBondContact N-NE2 2.85Å; T188-H278 VanDerWaalsContact N-NE2 3.12Å; T188-H278 PolarHBondContact OG1-NE2 2.71Å; T188-H278 VanDerWaalsContact OG1-NE2 3.09Å
189	E	93.4	Very high	95.4	Very high	69 Å²	69	43.3 Å²	43.3	32%	0.322	23%	0.225	S	C	.	.			trans	-62	132.9	165	-64.8	-70.4	177.3	0	0	110.9	N191 T192 G193 Q194 P196	E189-N191 WeakPolarHBondContact CB-OD1 3.28Å; E189-N191 PolarHBondContact O-N 3.41Å; E189-N191 VanDerWaalsContact O-N 3.14Å; E189-T192 WeakPolarHBondContact CB-OG1 3.39Å; E189-T192 PolarHBondContact O-N 2.6Å; E189-G193 PolarHBondContact O-N 2.93Å; E189-Q194 PolarHBondContact N-O 3.33Å; E189-P196 HydrophobicContact CG-CB 4.47Å; E189-P196 WeakPolarHBondContact OE1-CA 3.14Å; E189-P196 WeakPolarHBondContact OE1-CB 3.5Å
190	F	88.4	Confident	95.1	Very high	155 Å²	155	44.3 Å²	44.3	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.1	-172.3	74.6	-85.6	0	0	0	114	L135	L135-F190 HydrophobicContact CD1-CB 4.38Å
191	N	89.5	Confident	94.9	Very high	113 Å²	113	42.4 Å²	42.4	60%	0.604	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-26.2	-175.5	61.7	-25	0	0	0	113.3	E189	E189-N191 WeakPolarHBondContact CB-OD1 3.28Å; E189-N191 PolarHBondContact O-N 3.41Å; E189-N191 VanDerWaalsContact O-N 3.14Å
192	T	91.4	Very high	94.7	Very high	74 Å²	74	42.4 Å²	42.4	45%	0.454	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-21.3	-176.7	66.6	0	0	0	0	113.8	E189 Q194	E189-T192 WeakPolarHBondContact CB-OG1 3.39Å; E189-T192 PolarHBondContact O-N 2.6Å; T192-Q194 PolarHBondContact O-N 2.75Å; T192-Q194 PolarHBondContact OG1-N 3.49Å
193	G	92	Very high	94.6	Very high	27 Å²	27	47.1 Å²	47.1	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	64	15.2	-170.4	0	0	0	0	0	113.4	T188 E189	T188-G193 VanDerWaalsContact CB-C 3.49Å; T188-G193 VanDerWaalsContact CG2-O 3.3Å; T188-G193 WeakPolarHBondContact CG2-O 3.42Å; E189-G193 PolarHBondContact O-N 2.93Å
194	Q	95.6	Very high	94.6	Very high	90 Å²	90	48.4 Å²	48.4	42%	0.421	24%	0.242	S	C	.	.	S	Bend	trans	-104.9	157.8	177.6	-61.4	-55	-52.2	0	0	111	T188 E189 T192	T188-Q194 CarbonylContact C-O 3.47Å; T188-Q194 VanDerWaalsContact CA-O 3.24Å; T188-Q194 WeakPolarHBondContact CA-O 3.28Å; T188-Q194 WeakPolarHBondContact CB-O 3.39Å; E189-Q194 PolarHBondContact N-O 3.33Å; T192-Q194 PolarHBondContact O-N 2.75Å; T192-Q194 PolarHBondContact OG1-N 3.49Å
195	P	96.7	Very high	94.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.039	24%	0.243	C	C	.	.			trans	-51.7	143.5	170.3	-30.4	39.3	0	0	0	112.6	V139 Y141 R205	V139-P195 HydrophobicContact CG2-CG 3.84Å; Y141-P195 HydrophobicContact CD1-CB 3.63Å; Y141-P195 HydrophobicContact CD1-CG 3.46Å; Y141-P195 VanDerWaalsContact CD1-CG 3.46Å; Y141-P195 HydrophobicContact CD2-CB 4.36Å; Y141-P195 HydrophobicContact CE1-CB 3.54Å; Y141-P195 HydrophobicContact CE1-CG 3.7Å; Y141-P195 HydrophobicContact CE2-CB 4.29Å; Y141-P195 HydrophobicContact CG-CB 4.05Å; Y141-P195 HydrophobicContact CG-CG 4.12Å; P195-R205 VanDerWaalsContact CB-NH1 3.31Å
196	P	94.8	Very high	94.6	Very high	33 Å²	33	47.9 Å²	47.9	21%	0.214	24%	0.237	C	C	.	.			trans	-51.6	147.6	178.3	-28.3	35.5	0	0	0	113.2	Y141 N187 E189 D198 R205	Y141-P196 VanDerWaalsContact OH-CD 3.23Å; Y141-P196 WeakPolarHBondContact OH-CD 3.43Å; N187-P196 WeakPolarHBondContact O-CD 3.19Å; E189-P196 HydrophobicContact CG-CB 4.47Å; E189-P196 WeakPolarHBondContact OE1-CA 3.14Å; E189-P196 WeakPolarHBondContact OE1-CB 3.5Å; P196-D198 VanDerWaalsContact C-N 3.34Å; P196-R205 PolarHBondContact O-NH1 3.34Å; P196-R205 PolarHBondContact O-NH2 3.17Å
197	Q	93.9	Very high	94.6	Very high	85 Å²	85	50.4 Å²	50.4	40%	0.397	25%	0.249	S	C	.	.	S	Bend	trans	-75	-28.3	-178.7	-63	-57.8	-14.3	0	0	113	I302 S303 G304	Q197-I302 WeakPolarHBondContact O-CD1 3.41Å; Q197-S303 PolarHBondContact OE1-OG 2.92Å; Q197-G304 WeakPolarHBondContact O-CA 3.45Å; Q197-G304 PolarHBondContact O-N 2.75Å; Q197-G304 VanDerWaalsContact O-N 3.12Å
198	D	94.4	Very high	94.7	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	25%	0.245	S	C	.	.			trans	-90.8	163.7	177.9	-60	-44.3	0	0	0	111.9	P196 G304 H305 L307	P196-D198 VanDerWaalsContact C-N 3.34Å; D198-G304 WeakPolarHBondContact OD1-CA 3.12Å; D198-H305 VanDerWaalsContact CA-O 3.32Å; D198-H305 WeakPolarHBondContact CA-O 3.25Å; D198-H305 IonicContact OD1-CD2 2.77Å; D198-H305 PolarHBondContact OD1-N 2.94Å; D198-L307 HydrophobicContact CB-CD1 3.65Å; D198-L307 HydrophobicContact CB-CG 4.04Å
199	S	94.5	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-148.9	136.4	174.7	-175.2	0	0	0	0	113.4	N143 Y201 G202 H305 Q306 L307	N143-S199 WeakPolarHBondContact CB-OG 3.37Å; N143-S199 PolarHBondContact ND2-OG 2.79Å; S199-Y201 PolarHBondContact OG-N 2.77Å; S199-G202 VanDerWaalsContact CB-O 3.26Å; S199-G202 WeakPolarHBondContact CB-O 3.34Å; S199-G202 PolarHBondContact OG-O 2.98Å; S199-H305 PolarHBondContact N-O 2.75Å; S199-Q306 CarbonylContact O-C 3.4Å; S199-Q306 WeakPolarHBondContact O-CA 3.48Å; S199-L307 PolarHBondContact O-N 2.87Å
200	P	90.9	Very high	95	Very high	26 Å²	26	48 Å²	48	17%	0.169	24%	0.241	C	C	.	.	S	Bend	trans	-76.5	-20.6	171	28.6	-31.5	0	0	0	114.4	L307 L310	P200-L307 VanDerWaalsContact CA-O 3.29Å; P200-L307 WeakPolarHBondContact CA-O 3.41Å; P200-L307 WeakPolarHBondContact CB-O 3.38Å; P200-L310 VanDerWaalsContact CB-C 3.44Å; P200-L310 HydrophobicContact CB-CB 4.02Å
201	Y	93.5	Very high	95.4	Very high	61 Å²	61	45 Å²	45	24%	0.239	23%	0.229	C	C	.	.	S	Bend	trans	-96.4	-21.7	-167.3	-51.8	-68.7	0	0	0	114	N143 S199 T312	N143-Y201 HydrophobicContact CB-CD2 4.25Å; N143-Y201 VanDerWaalsContact O-CB 3.27Å; N143-Y201 WeakPolarHBondContact O-CB 3.37Å; S199-Y201 PolarHBondContact OG-N 2.77Å; Y201-T312 WeakPolarHBondContact OH-CG2 3.3Å; Y201-T312 PolarHBondContact OH-OG1 3.27Å
202	G	94.3	Very high	95.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.			trans	152.7	164.2	-179.5	0	0	0	0	0	112.5	H144 S199	H144-G202 CarbonylContact O-C 3.41Å; S199-G202 VanDerWaalsContact CB-O 3.26Å; S199-G202 WeakPolarHBondContact CB-O 3.34Å; S199-G202 PolarHBondContact OG-O 2.98Å
203	R	95.5	Very high	96.2	Very high	99 Å²	99	42.9 Å²	42.9	37%	0.374	21%	0.205	S	C	.	.	S	Bend	trans	-80.8	-12.9	-173.7	-59.6	-166.5	74.2	-159	4.8	114.5	E301 I302 G304 Q306	R203-E301 HydrophobicContact CB-CG 4.1Å; R203-E301 IonicContact CZ-OE1 2.87Å; R203-E301 IonicContact NE-OE1 3.01Å; R203-E301 IonicContact NH1-OE1 4Å; R203-E301 PolarHBondContact NH1-OE1 3.17Å; R203-E301 IonicContact NH2-OE1 2.78Å; R203-E301 CarbonylContact O-C 3.44Å; R203-E301 WeakPolarHBondContact O-CA 3.49Å; R203-I302 HydrophobicContact CB-CG1 4.38Å; R203-I302 WeakPolarHBondContact O-CG1 3.46Å; R203-I302 PolarHBondContact O-N 2.74Å; R203-G304 PolarHBondContact NH2-O 3.4Å; R203-G304 VanDerWaalsContact NH2-O 3.16Å; R203-Q306 HydrophobicContact CG-CB 4.01Å
204	W	97.7	Very high	96.5	Very high	61 Å²	61	41.6 Å²	41.6	23%	0.231	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.2	179.1	-77.2	69.4	0	0	0	110.3	N143 H144 K146 F149 L299 G300	N143-W204 CarbonylContact C-O 3.55Å; N143-W204 VanDerWaalsContact CA-O 3.23Å; N143-W204 WeakPolarHBondContact CA-O 3Å; H144-W204 PolarHBondContact N-O 2.85Å; H144-W204 WeakPolarHBondContact O-CA 3.2Å; H144-W204 WeakPolarHBondContact O-CB 3.39Å; H144-W204 PolarHBondContact O-N 2.82Å; H144-W204 VanDerWaalsContact O-O 3.14Å; K146-W204 HydrophobicContact CB-CD2 4.2Å; K146-W204 HydrophobicContact CB-CG 3.99Å; K146-W204 HydrophobicContact CD-CZ2 3.7Å; K146-W204 HydrophobicContact CG-CD2 3.98Å; K146-W204 HydrophobicContact CG-CG 4.3Å; K146-W204 HydrophobicContact CG-CZ2 3.98Å; F149-W204 HydrophobicContact CD2-CB 3.79Å; F149-W204 HydrophobicContact CE2-CB 3.73Å; F149-W204 WeakPolarHBondContact CE2-O 3.41Å; W204-L299 HydrophobicContact CE3-CD1 3.97Å; W204-L299 HydrophobicContact CE3-CD2 4.27Å; W204-L299 HydrophobicContact CE3-CG 3.81Å; W204-L299 HydrophobicContact CZ3-CD2 4.41Å; W204-L299 HydrophobicContact CZ3-CG 4.09Å; W204-G300 WeakPolarHBondContact CA-O 3.31Å
205	R	98.2	Very high	96.6	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.038	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.6	-178.7	-177.9	174.7	-67.6	164.8	0.1	110.3	R142 N143 P195 P196 Q207 L299 G300 I302	R142-R205 WeakPolarHBondContact O-CA 3.34Å; N143-R205 VanDerWaalsContact OD1-CB 3.3Å; N143-R205 WeakPolarHBondContact OD1-CB 3.46Å; N143-R205 WeakPolarHBondContact OD1-CG 3.49Å; N143-R205 PolarHBondContact OD1-NE 3.07Å; N143-R205 PolarHBondContact OD1-NH2 2.85Å; P195-R205 VanDerWaalsContact CB-NH1 3.31Å; P196-R205 PolarHBondContact O-NH1 3.34Å; P196-R205 PolarHBondContact O-NH2 3.17Å; R205-Q207 HydrophobicContact CG-CG 3.7Å; R205-L299 WeakPolarHBondContact O-CA 3.39Å; R205-G300 PolarHBondContact N-O 2.87Å; R205-G300 PolarHBondContact O-N 3.48Å; R205-I302 HydrophobicContact CB-CG2 3.62Å
206	F	98.6	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.5	161	176.1	-116.3	0	0	0	109.1	Y141 R142 F149 L160 F184 I208 V292 L294 T298 L299	Y141-F206 CarbonylContact C-O 3.49Å; Y141-F206 WeakPolarHBondContact CA-O 3.48Å; Y141-F206 WeakPolarHBondContact CB-O 3.41Å; R142-F206 PolarHBondContact N-O 2.79Å; R142-F206 PolarHBondContact O-N 3.23Å; F149-F206 HydrophobicContact CD1-CB 4.28Å; F149-F206 HydrophobicContact CE1-CB 3.53Å; F149-F206 HydrophobicContact CZ-CB 3.99Å; L160-F206 HydrophobicContact CD1-CD1 3.67Å; L160-F206 HydrophobicContact CD1-CE1 3.97Å; L160-F206 HydrophobicContact CD1-CG 4.43Å; F184-F206 AromaticContact CE1-CD1 3.92Å; F184-F206 HydrophobicContact CE1-CD1 3.92Å; F184-F206 HydrophobicContact CE1-CE1 4.11Å; F184-F206 HydrophobicContact CZ-CD1 4.5Å; F184-F206 HydrophobicContact CZ-CE1 4.4Å; F206-I208 HydrophobicContact CE1-CB 3.91Å; F206-I208 HydrophobicContact CE1-CG2 4.17Å; F206-I208 HydrophobicContact CZ-CB 3.97Å; F206-I208 HydrophobicContact CZ-CD1 4.44Å; F206-V292 HydrophobicContact CE1-CG1 3.99Å; F206-V292 HydrophobicContact CZ-CG1 4.36Å; F206-L294 HydrophobicContact CB-CD2 4.45Å; F206-L294 HydrophobicContact CD1-CD2 4.15Å; F206-L294 HydrophobicContact CD2-CD2 3.57Å; F206-L294 HydrophobicContact CE1-CD2 4.28Å; F206-L294 HydrophobicContact CE2-CB 4.44Å; F206-L294 HydrophobicContact CE2-CD2 3.71Å; F206-L294 WeakPolarHBondContact CE2-O 3.31Å; F206-L294 HydrophobicContact CG-CD2 3.8Å; F206-L294 HydrophobicContact CZ-CD2 4.06Å; F206-T298 CarbonylContact C-O 3.48Å; F206-T298 VanDerWaalsContact CA-O 3.29Å; F206-T298 WeakPolarHBondContact CA-O 3.37Å; F206-T298 WeakPolarHBondContact CD2-O 3.48Å; F206-L299 HydrophobicContact CB-CD1 4.16Å
207	Q	98.7	Very high	96.8	Very high	53 Å²	53	43.8 Å²	43.8	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	175.5	-54.5	-172.2	51.5	0	0	109.5	V139 F140 R205 G297 T298	V139-Q207 HydrophobicContact CB-CB 4.41Å; F140-Q207 WeakPolarHBondContact O-CA 3.34Å; R205-Q207 HydrophobicContact CG-CG 3.7Å; Q207-G297 CarbonylContact O-C 3.58Å; Q207-G297 WeakPolarHBondContact O-CA 3.3Å; Q207-T298 PolarHBondContact N-O 2.83Å; Q207-T298 PolarHBondContact O-N 3.44Å
208	I	98.7	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.5	179	-174.4	171.9	0	0	0	109.7	V139 F140 F184 F206 A210 R212 L213 V292 L296	V139-I208 CarbonylContact C-O 3.44Å; V139-I208 WeakPolarHBondContact CA-O 3.46Å; V139-I208 WeakPolarHBondContact CB-O 3.49Å; F140-I208 HydrophobicContact CB-CG2 3.98Å; F140-I208 PolarHBondContact N-O 3.22Å; F140-I208 PolarHBondContact O-N 3.28Å; F184-I208 HydrophobicContact CE1-CG2 4Å; F184-I208 HydrophobicContact CZ-CG2 4.49Å; F206-I208 HydrophobicContact CE1-CB 3.91Å; F206-I208 HydrophobicContact CE1-CG2 4.17Å; F206-I208 HydrophobicContact CZ-CB 3.97Å; F206-I208 HydrophobicContact CZ-CD1 4.44Å; I208-A210 PolarHBondContact O-N 3.25Å; I208-R212 HydrophobicContact CD1-CB 3.81Å; I208-R212 HydrophobicContact CD1-CG 4.36Å; I208-R212 HydrophobicContact CG1-CB 3.92Å; I208-R212 HydrophobicContact CG1-CG 4.15Å; I208-L213 HydrophobicContact CD1-CD2 3.97Å; I208-L213 HydrophobicContact CD1-CG 4.23Å; I208-L213 HydrophobicContact CG2-CD1 3.76Å; I208-L213 HydrophobicContact CG2-CG 4.1Å; I208-V292 HydrophobicContact CD1-CG1 3.64Å; I208-L296 HydrophobicContact CD1-CB 3.88Å; I208-L296 HydrophobicContact CG1-CB 4.36Å
209	P	98.6	Very high	97.2	Very high	51 Å²	51	38.3 Å²	38.3	33%	0.331	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.6	177	-26.4	35	0	0	0	111.7	Q211 R212 L296	P209-Q211 VanDerWaalsContact C-N 3.26Å; P209-Q211 HydrophobicContact CB-CG 4.4Å; P209-Q211 PolarHBondContact O-N 2.78Å; P209-Q211 VanDerWaalsContact O-N 3.16Å; P209-R212 HydrophobicContact CB-CG 4.29Å; P209-R212 WeakPolarHBondContact O-CB 3.25Å; P209-R212 PolarHBondContact O-N 2.66Å; P209-L296 WeakPolarHBondContact CD-O 3.29Å
210	A	98.7	Very high	97.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-54.1	-42	-171.6	0	0	0	0	0	112.8	F137 S138 F140 I208 R212 L213 F214 F276	F137-A210 HydrophobicContact CD2-CB 4.33Å; F137-A210 HydrophobicContact CE2-CB 3.68Å; F137-A210 HydrophobicContact CZ-CB 4.29Å; S138-A210 WeakPolarHBondContact O-CB 3.1Å; S138-A210 PolarHBondContact O-N 2.7Å; F140-A210 HydrophobicContact CD2-CB 4.23Å; F140-A210 HydrophobicContact CE2-CB 3.95Å; I208-A210 PolarHBondContact O-N 3.25Å; A210-R212 PolarHBondContact O-N 3.46Å; A210-L213 PolarHBondContact O-N 3.26Å; A210-F214 PolarHBondContact O-N 3.45Å; A210-F276 HydrophobicContact CB-CB 4.4Å; A210-F276 HydrophobicContact CB-CD1 4.04Å; A210-F276 HydrophobicContact CB-CD2 3.62Å; A210-F276 HydrophobicContact CB-CE1 4.22Å; A210-F276 HydrophobicContact CB-CE2 3.82Å; A210-F276 HydrophobicContact CB-CG 3.73Å; A210-F276 HydrophobicContact CB-CZ 4.12Å
211	Q	98	Very high	97.8	Very high	93 Å²	93	37.2 Å²	37.2	44%	0.435	18%	0.179	S	C	.	.	H	α-helix	trans	-57	-21.5	178.7	70.5	-172.9	18	0	0	115.1	P209 F214 N215 L274 F276	P209-Q211 VanDerWaalsContact C-N 3.26Å; P209-Q211 HydrophobicContact CB-CG 4.4Å; P209-Q211 PolarHBondContact O-N 2.78Å; P209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-F214 WeakPolarHBondContact CA-O 3.02Å; Q211-N215 PolarHBondContact O-ND2 3.12Å; Q211-L274 HydrophobicContact CB-CD1 4.13Å; Q211-F276 HydrophobicContact CB-CE2 4.22Å; Q211-F276 HydrophobicContact CB-CZ 3.74Å
212	R	98.4	Very high	98.1	Very high	138 Å²	138	34.3 Å²	34.3	52%	0.521	17%	0.168	S	C	.	.	H	α-helix	trans	-72.3	-32	177.5	-65.2	-63.4	-172.2	177.9	-0.3	112.3	I208 P209 A210	I208-R212 HydrophobicContact CD1-CB 3.81Å; I208-R212 HydrophobicContact CD1-CG 4.36Å; I208-R212 HydrophobicContact CG1-CB 3.92Å; I208-R212 HydrophobicContact CG1-CG 4.15Å; P209-R212 HydrophobicContact CB-CG 4.29Å; P209-R212 WeakPolarHBondContact O-CB 3.25Å; P209-R212 PolarHBondContact O-N 2.66Å; A210-R212 PolarHBondContact O-N 3.46Å
213	L	98.7	Very high	98.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-106.6	-29.2	-178.6	-55.2	-170.5	0	0	0	112.8	F140 F184 I208 A210 T218 L239 Y288 V292	F140-L213 HydrophobicContact CB-CD1 4.07Å; F140-L213 HydrophobicContact CD2-CB 3.88Å; F140-L213 HydrophobicContact CD2-CD1 3.93Å; F140-L213 HydrophobicContact CD2-CG 4.19Å; F140-L213 HydrophobicContact CE2-CB 4.03Å; F140-L213 HydrophobicContact CG-CD1 4.18Å; F184-L213 HydrophobicContact CD2-CD1 4Å; F184-L213 HydrophobicContact CE1-CD1 4.33Å; F184-L213 HydrophobicContact CE2-CD1 3.72Å; F184-L213 HydrophobicContact CG-CD1 4.43Å; F184-L213 HydrophobicContact CZ-CD1 3.92Å; I208-L213 HydrophobicContact CD1-CD2 3.97Å; I208-L213 HydrophobicContact CD1-CG 4.23Å; I208-L213 HydrophobicContact CG2-CD1 3.76Å; I208-L213 HydrophobicContact CG2-CG 4.1Å; A210-L213 PolarHBondContact O-N 3.26Å; L213-T218 WeakPolarHBondContact O-CG2 3.4Å; L213-T218 PolarHBondContact O-OG1 2.88Å; L213-L239 HydrophobicContact CB-CD1 4.33Å; L213-Y288 HydrophobicContact CB-CD2 3.97Å; L213-Y288 HydrophobicContact CB-CE2 4.06Å; L213-Y288 HydrophobicContact CB-CG 4.5Å; L213-Y288 HydrophobicContact CD1-CG 4.34Å; L213-Y288 HydrophobicContact CD2-CD1 3.9Å; L213-Y288 HydrophobicContact CD2-CD2 4.17Å; L213-Y288 HydrophobicContact CD2-CE1 3.74Å; L213-Y288 HydrophobicContact CD2-CE2 4.05Å; L213-Y288 HydrophobicContact CD2-CG 4.09Å; L213-Y288 HydrophobicContact CG-CD2 4.47Å; L213-Y288 WeakPolarHBondContact O-CE2 3.32Å; L213-V292 HydrophobicContact CD2-CG1 4.36Å; L213-V292 HydrophobicContact CD2-CG2 4.01Å
214	F	98.7	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-130.1	113.6	-174.8	-170.5	-148.1	0	0	0	110.4	F140 A210 Q211 T218 L220 L239 I259 L265 T266 C267 F276	F140-F214 HydrophobicContact CE2-CB 3.7Å; F140-F214 HydrophobicContact CZ-CB 3.85Å; F140-F214 HydrophobicContact CZ-CD1 4.35Å; F140-F214 HydrophobicContact CZ-CG 4.47Å; A210-F214 PolarHBondContact O-N 3.45Å; Q211-F214 WeakPolarHBondContact CA-O 3.02Å; F214-T218 HydrophobicContact CD2-CG2 4.41Å; F214-L220 HydrophobicContact CE2-CB 4.13Å; F214-L220 HydrophobicContact CZ-CB 4.43Å; F214-L220 HydrophobicContact CZ-CD2 4.1Å; F214-L239 HydrophobicContact CB-CD1 3.97Å; F214-L239 HydrophobicContact CB-CD2 4.19Å; F214-L239 HydrophobicContact CD2-CD2 3.38Å; F214-L239 HydrophobicContact CE2-CD2 3.78Å; F214-L239 HydrophobicContact CG-CD1 4.41Å; F214-L239 HydrophobicContact CG-CD2 3.82Å; F214-I259 HydrophobicContact CE2-CB 3.77Å; F214-I259 HydrophobicContact CE2-CG2 3.58Å; F214-I259 HydrophobicContact CZ-CB 3.73Å; F214-I259 HydrophobicContact CZ-CG2 3.96Å; F214-L265 HydrophobicContact CD1-CD2 4.14Å; F214-L265 HydrophobicContact CD1-CG 4.19Å; F214-L265 HydrophobicContact CE1-CD2 4.01Å; F214-L265 HydrophobicContact CE1-CG 3.76Å; F214-L265 HydrophobicContact CZ-CG 4.48Å; F214-T266 VanDerWaalsContact CE1-C 3.48Å; F214-C267 HydrophobicContact CD1-CB 3.67Å; F214-C267 HydrophobicContact CD2-CB 4.38Å; F214-C267 HydrophobicContact CE1-CB 3.39Å; F214-C267 HydrophobicContact CE2-CB 4.15Å; F214-C267 HydrophobicContact CG-CB 4.17Å; F214-C267 HydrophobicContact CZ-CB 3.66Å; F214-F276 HydrophobicContact CD1-CD1 4.02Å; F214-F276 HydrophobicContact CD1-CE1 4.41Å; F214-F276 WeakPolarHBondContact O-CE1 3.21Å
215	N	97.9	Very high	98.3	Very high	30 Å²	30	26.7 Å²	26.7	16%	0.16	14%	0.139	C	C	.	.	S	Bend	trans	-162.6	178.4	-177.1	61.5	56.5	0	0	0	108.5	Q211 S217 T218 L274	Q211-N215 PolarHBondContact O-ND2 3.12Å; N215-S217 PolarHBondContact O-N 2.95Å; N215-S217 PolarHBondContact OD1-N 2.95Å; N215-S217 PolarHBondContact OD1-OG 2.87Å; N215-T218 WeakPolarHBondContact O-CB 3.23Å; N215-T218 PolarHBondContact O-N 2.78Å; N215-L274 HydrophobicContact CB-CD1 4.31Å
216	P	96.7	Very high	98.2	Very high	76 Å²	76	26.2 Å²	26.2	49%	0.494	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.7	-177.4	-29	37.6	0	0	0	116.8	T218 K242	P216-T218 VanDerWaalsContact C-N 3.34Å; P216-K242 WeakPolarHBondContact O-CE 3.45Å; P216-K242 PolarHBondContact O-NZ 2.72Å
217	S	98.2	Very high	98	Very high	70 Å²	70	26.2 Å²	26.2	49%	0.49	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.6	173.9	76.4	0	0	0	0	113.6	N215 K242	N215-S217 PolarHBondContact O-N 2.95Å; N215-S217 PolarHBondContact OD1-N 2.95Å; N215-S217 PolarHBondContact OD1-OG 2.87Å; S217-K242 WeakPolarHBondContact O-CB 3.4Å; S217-K242 VanDerWaalsContact O-CG 3.28Å; S217-K242 WeakPolarHBondContact O-CG 3.28Å; S217-K242 PolarHBondContact O-N 3.45Å
218	T	98.7	Very high	97.5	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.2	180	-53.2	0	0	0	0	110.5	L213 F214 N215 P216 L239	L213-T218 WeakPolarHBondContact O-CG2 3.4Å; L213-T218 PolarHBondContact O-OG1 2.88Å; F214-T218 HydrophobicContact CD2-CG2 4.41Å; N215-T218 WeakPolarHBondContact O-CB 3.23Å; N215-T218 PolarHBondContact O-N 2.78Å; P216-T218 VanDerWaalsContact C-N 3.34Å; T218-L239 HydrophobicContact CG2-CB 3.97Å; T218-L239 HydrophobicContact CG2-CD2 4.11Å
219	N	98.8	Very high	96.8	Very high	28 Å²	28	32.7 Å²	32.7	15%	0.15	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.6	170.2	-75	-24.4	0	0	0	110.3	Y221 A240 K242 D247 L256	N219-Y221 HydrophobicContact CB-CD2 4.28Å; N219-Y221 HydrophobicContact CB-CE2 3.45Å; N219-Y221 VanDerWaalsContact CB-CE2 3.45Å; N219-Y221 PolarHBondContact ND2-OH 2.95Å; N219-A240 PolarHBondContact N-O 3.09Å; N219-A240 PolarHBondContact O-N 2.77Å; N219-K242 WeakPolarHBondContact OD1-CE 3.48Å; N219-D247 PolarHBondContact ND2-OD1 3.05Å; N219-L256 HydrophobicContact CB-CD1 3.87Å
220	L	98.9	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.4	175.3	178.9	69.3	0	0	0	109.2	F214 L237 V238 L239 L257 I259 L265	F214-L220 HydrophobicContact CE2-CB 4.13Å; F214-L220 HydrophobicContact CZ-CB 4.43Å; F214-L220 HydrophobicContact CZ-CD2 4.1Å; L220-L237 HydrophobicContact CD1-CB 3.93Å; L220-L237 HydrophobicContact CD1-CD1 4.23Å; L220-V238 CarbonylContact C-O 3.49Å; L220-V238 WeakPolarHBondContact CA-O 3.07Å; L220-L239 HydrophobicContact CB-CD2 4.48Å; L220-L239 HydrophobicContact CD1-CD2 3.6Å; L220-L239 HydrophobicContact CD1-CG 4.46Å; L220-L257 HydrophobicContact CB-CB 4.36Å; L220-L257 HydrophobicContact CD2-CB 3.96Å; L220-L257 HydrophobicContact CD2-CD1 3.87Å; L220-L257 HydrophobicContact CG-CB 4.09Å; L220-L257 HydrophobicContact CG-CD1 3.96Å; L220-L257 PolarHBondContact O-N 3.01Å; L220-I259 HydrophobicContact CB-CG2 3.85Å; L220-L265 HydrophobicContact CD1-CD2 4.06Å; L220-L265 HydrophobicContact CD2-CB 4.14Å; L220-L265 WeakPolarHBondContact CD2-O 3.35Å
221	Y	98.8	Very high	95.5	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.7	177.5	-60.6	-87.8	0	0	0	111.5	N219 L237 V238 A240 D247 C250 L254 P255 L256	N219-Y221 HydrophobicContact CB-CD2 4.28Å; N219-Y221 HydrophobicContact CB-CE2 3.45Å; N219-Y221 VanDerWaalsContact CB-CE2 3.45Å; N219-Y221 PolarHBondContact ND2-OH 2.95Å; Y221-L237 CarbonylContact O-C 3.58Å; Y221-L237 VanDerWaalsContact O-CA 3.28Å; Y221-L237 WeakPolarHBondContact O-CA 3.28Å; Y221-V238 PolarHBondContact N-O 3.13Å; Y221-V238 PolarHBondContact O-N 3.34Å; Y221-A240 HydrophobicContact CD2-CB 4.46Å; Y221-A240 HydrophobicContact CE2-CB 4.17Å; Y221-D247 PolarHBondContact OH-OD1 2.96Å; Y221-C250 HydrophobicContact CD1-CB 4Å; Y221-C250 HydrophobicContact CD2-CB 3.5Å; Y221-C250 VanDerWaalsContact CD2-CB 3.5Å; Y221-C250 HydrophobicContact CE1-CB 4.11Å; Y221-C250 HydrophobicContact CE2-CB 3.61Å; Y221-C250 HydrophobicContact CG-CB 3.71Å; Y221-L254 HydrophobicContact CD1-CB 3.98Å; Y221-L254 HydrophobicContact CG-CB 4.22Å; Y221-P255 VanDerWaalsContact CA-O 3.28Å; Y221-P255 WeakPolarHBondContact CA-O 3.42Å; Y221-L256 HydrophobicContact CD1-CB 4.16Å; Y221-L256 HydrophobicContact CD1-CD1 4.1Å; Y221-L256 HydrophobicContact CE1-CB 3.89Å; Y221-L256 HydrophobicContact CE1-CD1 3.59Å; Y221-L256 HydrophobicContact CE1-CG 4.33Å; Y221-L256 HydrophobicContact CE2-CD1 4.34Å
222	F	98.7	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.5	167.7	178.5	-90.4	0	0	0	109.6	L120 L123 Q124 A127 F225 L237 P255 L257 F264	L120-F222 WeakPolarHBondContact O-CE1 3.29Å; L123-F222 HydrophobicContact CB-CE1 3.81Å; L123-F222 HydrophobicContact CB-CZ 4.01Å; Q124-F222 VanDerWaalsContact CA-CZ 3.45Å; Q124-F222 HydrophobicContact CB-CD1 3.8Å; Q124-F222 HydrophobicContact CB-CD2 4.27Å; Q124-F222 HydrophobicContact CB-CE1 3.81Å; Q124-F222 HydrophobicContact CB-CE2 4.27Å; Q124-F222 HydrophobicContact CB-CG 4.02Å; Q124-F222 HydrophobicContact CB-CZ 4.03Å; Q124-F222 HydrophobicContact CG-CB 4.45Å; Q124-F222 HydrophobicContact CG-CD1 4.34Å; Q124-F222 HydrophobicContact CG-CD2 4.12Å; Q124-F222 HydrophobicContact CG-CE2 4.44Å; Q124-F222 HydrophobicContact CG-CG 4.05Å; A127-F222 HydrophobicContact CB-CE2 4.01Å; A127-F222 HydrophobicContact CB-CZ 4.35Å; F222-F225 HydrophobicContact CE2-CB 4.23Å; F222-F225 HydrophobicContact CZ-CB 3.64Å; F222-L237 HydrophobicContact CD2-CD2 4.12Å; F222-P255 HydrophobicContact CB-CB 4.48Å; F222-P255 PolarHBondContact N-O 2.85Å; F222-P255 WeakPolarHBondContact O-CD 3.29Å; F222-L257 HydrophobicContact CB-CD1 4.1Å; F222-L257 HydrophobicContact CB-CD2 4.42Å; F222-L257 HydrophobicContact CB-CG 4.31Å; F222-F264 AromaticContact CD2-CE2 4Å; F222-F264 HydrophobicContact CD2-CE2 4Å; F222-F264 HydrophobicContact CD2-CZ 4.07Å; F222-F264 HydrophobicContact CE2-CE2 4.48Å; F222-F264 HydrophobicContact CE2-CZ 4.1Å
223	A	98.1	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-39	-177	0	0	0	0	0	113.8	L120 T175 I236 V238 L254	L120-A223 WeakPolarHBondContact CD2-O 3.38Å; T175-A223 HydrophobicContact CG2-CB 3.88Å; A223-I236 HydrophobicContact CB-CB 4.08Å; A223-I236 HydrophobicContact CB-CG2 3.91Å; A223-I236 WeakPolarHBondContact CB-O 3.26Å; A223-I236 PolarHBondContact N-O 3.09Å; A223-V238 HydrophobicContact CB-CG2 3.96Å; A223-L254 HydrophobicContact CB-CD1 4.1Å
224	D	97.5	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	163.8	-176.2	-152.4	-12.6	0	0	0	112.5	S170 A235 I236	S170-D224 VanDerWaalsContact CB-OD1 3.29Å; S170-D224 WeakPolarHBondContact CB-OD1 3.38Å; S170-D224 VanDerWaalsContact CB-OD2 3.29Å; S170-D224 WeakPolarHBondContact CB-OD2 3.19Å; S170-D224 PolarHBondContact N-OD2 3.36Å; S170-D224 PolarHBondContact OG-OD1 2.73Å; S170-D224 PolarHBondContact OG-OD2 2.79Å; D224-A235 WeakPolarHBondContact O-CA 3.44Å; D224-I236 HydrophobicContact CB-CB 4.04Å; D224-I236 HydrophobicContact CB-CD1 3.87Å; D224-I236 HydrophobicContact CB-CG1 3.96Å; D224-I236 PolarHBondContact N-O 2.82Å; D224-I236 PolarHBondContact O-N 3.25Å
225	F	97.1	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.9	173.4	174.7	-122.9	0	0	0	111.2	L123 K126 A127 I130 F222 H233 Y234 L282 K317 T323 C324	L123-F225 HydrophobicContact CB-CB 4.33Å; K126-F225 HydrophobicContact CB-CD1 4.26Å; K126-F225 HydrophobicContact CB-CE1 4.1Å; A127-F225 HydrophobicContact CB-CB 4.1Å; A127-F225 HydrophobicContact CB-CD1 3.94Å; A127-F225 HydrophobicContact CB-CD2 3.6Å; A127-F225 HydrophobicContact CB-CE1 4.27Å; A127-F225 HydrophobicContact CB-CE2 3.95Å; A127-F225 HydrophobicContact CB-CG 3.63Å; A127-F225 HydrophobicContact CB-CZ 4.32Å; I130-F225 HydrophobicContact CD1-CE1 4.23Å; I130-F225 HydrophobicContact CD1-CE2 4.26Å; I130-F225 HydrophobicContact CD1-CZ 3.43Å; I130-F225 VanDerWaalsContact CD1-CZ 3.43Å; F222-F225 HydrophobicContact CE2-CB 4.23Å; F222-F225 HydrophobicContact CZ-CB 3.64Å; F225-H233 HydrophobicContact CD2-CB 4.43Å; F225-H233 HydrophobicContact CE2-CB 3.45Å; F225-H233 VanDerWaalsContact CE2-CB 3.45Å; F225-H233 HydrophobicContact CZ-CB 3.85Å; F225-H233 AromaticContact CZ-CD2 3.63Å; F225-H233 AromaticContact CZ-CG 3.92Å; F225-Y234 VanDerWaalsContact CA-O 3.3Å; F225-Y234 WeakPolarHBondContact CA-O 3.44Å; F225-Y234 WeakPolarHBondContact CD2-O 3.39Å; F225-L282 HydrophobicContact CD2-CD2 4.47Å; F225-L282 HydrophobicContact CE2-CD2 3.67Å; F225-K317 WeakPolarHBondContact O-CE 3.39Å; F225-K317 PolarHBondContact O-NZ 3.38Å; F225-T323 HydrophobicContact CE1-CG2 4.49Å; F225-T323 HydrophobicContact CZ-CG2 4.34Å; F225-C324 HydrophobicContact CD1-CB 3.65Å; F225-C324 VanDerWaalsContact CE1-CA 3.49Å; F225-C324 HydrophobicContact CE1-CB 3.53Å; F225-C324 HydrophobicContact CG-CB 4.29Å; F225-C324 HydrophobicContact CZ-CB 4.06Å
226	Y	95.8	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	171.6	-170.6	77.6	-75.7	0	0	0	114.2	G169 M228 H233 Y234 I236 E285	G169-Y226 VanDerWaalsContact CA-CG 3.49Å; Y226-M228 HydrophobicContact CD2-CE 4.15Å; Y226-M228 HydrophobicContact CD2-CG 4.41Å; Y226-M228 HydrophobicContact CE2-CE 3.17Å; Y226-M228 HydrophobicContact CE2-CG 4.08Å; Y226-M228 HydrophobicContact CE2-SD 4.48Å; Y226-M228 VanDerWaalsContact OH-CE 3.29Å; Y226-M228 WeakPolarHBondContact OH-CE 3.23Å; Y226-H233 CarbonylContact O-C 3.6Å; Y226-H233 WeakPolarHBondContact O-CA 3.12Å; Y226-Y234 VanDerWaalsContact CE1-CB 3.41Å; Y226-Y234 HydrophobicContact CE1-CG 4.18Å; Y226-Y234 PolarHBondContact N-O 3.38Å; Y226-Y234 PolarHBondContact O-N 2.8Å; Y226-I236 HydrophobicContact CD1-CD1 4.46Å; Y226-I236 HydrophobicContact CD1-CG1 4.42Å; Y226-I236 HydrophobicContact CE1-CD1 3.89Å; Y226-I236 HydrophobicContact CE1-CG1 3.91Å; Y226-E285 PolarHBondContact OH-OE1 2.81Å; Y226-E285 PolarHBondContact OH-OE2 2.72Å; Y226-E285 VanDerWaalsContact OH-OE2 3.06Å
227	C	93.9	Very high	95	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.156	C	C	.	.			trans	-143.6	167	167.5	71.9	0	0	0	0	110.5	Y232 K317 D318 C321	C227-Y232 WeakPolarHBondContact CB-O 3.45Å; C227-K317 CarbonylContact O-C 3.57Å; C227-K317 WeakPolarHBondContact O-CA 3.29Å; C227-D318 PolarHBondContact O-N 2.92Å; C227-C321 VanDerWaalsContact SG-SG 3.66Å
228	M	88.5	Confident	95.1	Very high	31 Å²	31	26.5 Å²	26.5	15%	0.153	13%	0.133	C	C	.	.	S	Bend	trans	-119	53.4	-176.6	-57.1	156	-147.1	0	0	111.3	Y226 T230 Y234 T312 A315	Y226-M228 HydrophobicContact CD2-CE 4.15Å; Y226-M228 HydrophobicContact CD2-CG 4.41Å; Y226-M228 HydrophobicContact CE2-CE 3.17Å; Y226-M228 HydrophobicContact CE2-CG 4.08Å; Y226-M228 HydrophobicContact CE2-SD 4.48Å; Y226-M228 VanDerWaalsContact OH-CE 3.29Å; Y226-M228 WeakPolarHBondContact OH-CE 3.23Å; M228-T230 HydrophobicContact CB-CG2 4.49Å; M228-T230 WeakPolarHBondContact O-CG2 3.33Å; M228-T230 PolarHBondContact O-N 3.08Å; M228-T230 VanDerWaalsContact O-N 3.16Å; M228-Y234 HydrophobicContact CE-CD1 4.37Å; M228-Y234 HydrophobicContact CE-CD2 3.77Å; M228-Y234 HydrophobicContact CE-CE1 4.21Å; M228-Y234 HydrophobicContact CE-CE2 3.58Å; M228-Y234 HydrophobicContact CE-CG 4.17Å; M228-Y234 HydrophobicContact SD-CE2 4.3Å; M228-T312 HydrophobicContact CE-CG2 3.25Å; M228-T312 HydrophobicContact SD-CG2 4.05Å; M228-A315 HydrophobicContact CE-CB 3.79Å; M228-A315 HydrophobicContact CG-CB 3.61Å; M228-A315 HydrophobicContact SD-CB 3.29Å; M228-A315 WeakPolarHBondContact SD-CB 3.46Å
229	Y	83.4	Confident	95.1	Very high	158 Å²	158	26.3 Å²	26.3	62%	0.62	13%	0.132	S	C	*	.	S	Bend	trans	58.2	26.3	-173.5	-55.4	-89.6	0	0	0	113.4	D318 P319	Y229-D318 HydrophobicContact CD1-CB 3.86Å; Y229-D318 WeakPolarHBondContact CD1-OD1 3.2Å; Y229-D318 WeakPolarHBondContact CD1-OD2 3.43Å; Y229-D318 HydrophobicContact CD2-CB 3.99Å; Y229-D318 HydrophobicContact CE1-CB 3.94Å; Y229-D318 WeakPolarHBondContact CE1-OD1 3.43Å; Y229-D318 HydrophobicContact CE2-CB 4.05Å; Y229-D318 HydrophobicContact CG-CB 3.9Å; Y229-P319 WeakPolarHBondContact OH-CD 3.19Å
230	T	84.6	Confident	95.1	Very high	54 Å²	54	25 Å²	25	33%	0.331	13%	0.125	S	C	.	.	S	Bend	trans	-113	167.2	175.5	81.7	0	0	0	0	110	M228 Y232	M228-T230 HydrophobicContact CB-CG2 4.49Å; M228-T230 WeakPolarHBondContact O-CG2 3.33Å; M228-T230 PolarHBondContact O-N 3.08Å; M228-T230 VanDerWaalsContact O-N 3.16Å; T230-Y232 PolarHBondContact O-N 2.77Å; T230-Y232 PolarHBondContact OG1-N 3.41Å; T230-Y232 VanDerWaalsContact OG1-N 3.07Å; T230-Y232 PolarHBondContact OG1-O 2.84Å
231	A	86.3	Confident	95.1	Very high	92 Å²	92	26.2 Å²	26.2	76%	0.76	13%	0.133	S	C	*	.	S	Bend	trans	-68	-18.7	171.1	0	0	0	0	0	113	H233	A231-H233 PolarHBondContact O-ND1 2.98Å
232	Y	91	Very high	95	Very high	149 Å²	149	31.7 Å²	31.7	58%	0.584	16%	0.157	S	C	*	.			trans	-87.2	140.3	-177.5	-52.7	-73.7	0	0	0	111.6	C227 T230 I283	C227-Y232 WeakPolarHBondContact CB-O 3.45Å; T230-Y232 PolarHBondContact O-N 2.77Å; T230-Y232 PolarHBondContact OG1-N 3.41Å; T230-Y232 VanDerWaalsContact OG1-N 3.07Å; T230-Y232 PolarHBondContact OG1-O 2.84Å; Y232-I283 HydrophobicContact CD1-CD1 4.42Å; Y232-I283 HydrophobicContact CG-CD1 4.11Å
233	H	95.7	Very high	95	Very high	23 Å²	23	34 Å²	34	11%	0.106	18%	0.18	C	C	.	.			trans	-114.5	145.6	173.9	-64.8	74.4	0	0	0	110.5	F225 Y226 A231 L282 I283 C321 T323	F225-H233 HydrophobicContact CD2-CB 4.43Å; F225-H233 HydrophobicContact CE2-CB 3.45Å; F225-H233 VanDerWaalsContact CE2-CB 3.45Å; F225-H233 HydrophobicContact CZ-CB 3.85Å; F225-H233 AromaticContact CZ-CD2 3.63Å; F225-H233 AromaticContact CZ-CG 3.92Å; Y226-H233 CarbonylContact O-C 3.6Å; Y226-H233 WeakPolarHBondContact O-CA 3.12Å; A231-H233 PolarHBondContact O-ND1 2.98Å; H233-L282 HydrophobicContact CB-CD2 3.92Å; H233-I283 PolarHBondContact O-N 3.46Å; H233-C321 PolarHBondContact NE2-SG 3.37Å; H233-C321 VanDerWaalsContact NE2-SG 3.36Å; H233-T323 WeakPolarHBondContact NE2-CB 3.4Å
234	Y	96.8	Very high	95	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	-176.2	-63.1	-100.3	0	0	0	108.7	F225 Y226 M228 I283 E285 T312	F225-Y234 VanDerWaalsContact CA-O 3.3Å; F225-Y234 WeakPolarHBondContact CA-O 3.44Å; F225-Y234 WeakPolarHBondContact CD2-O 3.39Å; Y226-Y234 VanDerWaalsContact CE1-CB 3.41Å; Y226-Y234 HydrophobicContact CE1-CG 4.18Å; Y226-Y234 PolarHBondContact N-O 3.38Å; Y226-Y234 PolarHBondContact O-N 2.8Å; M228-Y234 HydrophobicContact CE-CD1 4.37Å; M228-Y234 HydrophobicContact CE-CD2 3.77Å; M228-Y234 HydrophobicContact CE-CE1 4.21Å; M228-Y234 HydrophobicContact CE-CE2 3.58Å; M228-Y234 HydrophobicContact CE-CG 4.17Å; M228-Y234 HydrophobicContact SD-CE2 4.3Å; Y234-I283 CarbonylContact C-O 3.55Å; Y234-I283 WeakPolarHBondContact CA-O 3.17Å; Y234-I283 HydrophobicContact CD1-CB 3.61Å; Y234-I283 HydrophobicContact CD1-CD1 4.36Å; Y234-I283 HydrophobicContact CD1-CG2 3.54Å; Y234-I283 HydrophobicContact CE1-CB 3.73Å; Y234-I283 HydrophobicContact CE1-CD1 3.65Å; Y234-I283 HydrophobicContact CE1-CG1 4.29Å; Y234-I283 HydrophobicContact CE1-CG2 3.48Å; Y234-I283 VanDerWaalsContact CE1-CG2 3.48Å; Y234-I283 HydrophobicContact CE2-CD1 4.29Å; Y234-I283 HydrophobicContact CG-CB 4.23Å; Y234-E285 HydrophobicContact CD1-CG 4.2Å; Y234-T312 HydrophobicContact CD1-CG2 4.1Å; Y234-T312 HydrophobicContact CE1-CG2 3.46Å; Y234-T312 VanDerWaalsContact CE1-CG2 3.46Å
235	A	97.9	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127	166.4	0	0	0	0	0	108.7	D224 L282 I283 L284 E285	D224-A235 WeakPolarHBondContact O-CA 3.44Å; A235-L282 HydrophobicContact CB-CD1 4.26Å; A235-I283 PolarHBondContact N-O 3.13Å; A235-L284 HydrophobicContact CB-CD2 3.92Å; A235-L284 WeakPolarHBondContact O-CA 3.16Å; A235-E285 PolarHBondContact O-N 2.79Å
236	I	98.3	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123	175.1	-52.3	-174.9	0	0	0	107.7	A223 D224 Y226 E285 I287	A223-I236 HydrophobicContact CB-CB 4.08Å; A223-I236 HydrophobicContact CB-CG2 3.91Å; A223-I236 WeakPolarHBondContact CB-O 3.26Å; A223-I236 PolarHBondContact N-O 3.09Å; D224-I236 HydrophobicContact CB-CB 4.04Å; D224-I236 HydrophobicContact CB-CD1 3.87Å; D224-I236 HydrophobicContact CB-CG1 3.96Å; D224-I236 PolarHBondContact N-O 2.82Å; D224-I236 PolarHBondContact O-N 3.25Å; Y226-I236 HydrophobicContact CD1-CD1 4.46Å; Y226-I236 HydrophobicContact CD1-CG1 4.42Å; Y226-I236 HydrophobicContact CE1-CD1 3.89Å; Y226-I236 HydrophobicContact CE1-CG1 3.91Å; I236-E285 CarbonylContact C-O 3.59Å; I236-E285 WeakPolarHBondContact CA-O 3.26Å; I236-E285 HydrophobicContact CG1-CB 4.18Å; I236-I287 HydrophobicContact CG2-CD1 3.59Å; I236-I287 HydrophobicContact CG2-CG1 3.93Å
237	L	98.8	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.6	176.7	-54.9	177.8	0	0	0	109.9	L220 Y221 F222 L257 F264 L265 L284 E285 I286 I287	L220-L237 HydrophobicContact CD1-CB 3.93Å; L220-L237 HydrophobicContact CD1-CD1 4.23Å; Y221-L237 CarbonylContact O-C 3.58Å; Y221-L237 VanDerWaalsContact O-CA 3.28Å; Y221-L237 WeakPolarHBondContact O-CA 3.28Å; F222-L237 HydrophobicContact CD2-CD2 4.12Å; L237-L257 HydrophobicContact CD2-CD1 4.09Å; L237-F264 HydrophobicContact CD1-CB 3.81Å; L237-F264 HydrophobicContact CD2-CB 4.27Å; L237-F264 HydrophobicContact CD2-CD2 4.47Å; L237-F264 HydrophobicContact CD2-CG 4.44Å; L237-L265 HydrophobicContact CD1-CB 3.6Å; L237-L265 HydrophobicContact CD1-CD2 4.26Å; L237-L284 HydrophobicContact CD1-CD1 4.14Å; L237-L284 HydrophobicContact CD1-CD2 4.38Å; L237-E285 PolarHBondContact N-O 3.05Å; L237-I286 HydrophobicContact CB-CD1 3.88Å; L237-I286 HydrophobicContact CD1-CD1 3.97Å; L237-I286 HydrophobicContact CG-CD1 4.29Å; L237-I286 WeakPolarHBondContact O-CA 3.4Å; L237-I287 PolarHBondContact O-N 2.79Å
238	V	98.9	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.7	176.5	-171.9	0	0	0	0	109.7	L179 L220 Y221 A223 A240 L254 I287 T289	L179-V238 HydrophobicContact CD2-CB 4.45Å; L179-V238 HydrophobicContact CD2-CG1 3.85Å; L179-V238 HydrophobicContact CD2-CG2 3.69Å; L220-V238 CarbonylContact C-O 3.49Å; L220-V238 WeakPolarHBondContact CA-O 3.07Å; Y221-V238 PolarHBondContact N-O 3.13Å; Y221-V238 PolarHBondContact O-N 3.34Å; A223-V238 HydrophobicContact CB-CG2 3.96Å; V238-A240 HydrophobicContact CG1-CB 4.48Å; V238-L254 HydrophobicContact CG2-CD1 3.87Å; V238-I287 CarbonylContact C-O 3.59Å; V238-I287 WeakPolarHBondContact CA-O 3.42Å; V238-I287 HydrophobicContact CG1-CB 4.41Å; V238-I287 HydrophobicContact CG2-CB 4.26Å; V238-I287 HydrophobicContact CG2-CD1 4.3Å; V238-T289 HydrophobicContact CG1-CG2 3.45Å; V238-T289 VanDerWaalsContact CG1-CG2 3.45Å
239	L	98.9	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.2	167.4	-67.5	-179.4	0	0	0	108.7	F140 L213 F214 T218 L220 L265 I286 I287 Y288 T289	F140-L239 HydrophobicContact CE1-CD1 4.1Å; F140-L239 HydrophobicContact CE2-CD1 4.03Å; F140-L239 HydrophobicContact CZ-CD1 3.66Å; L213-L239 HydrophobicContact CB-CD1 4.33Å; F214-L239 HydrophobicContact CB-CD1 3.97Å; F214-L239 HydrophobicContact CB-CD2 4.19Å; F214-L239 HydrophobicContact CD2-CD2 3.38Å; F214-L239 HydrophobicContact CE2-CD2 3.78Å; F214-L239 HydrophobicContact CG-CD1 4.41Å; F214-L239 HydrophobicContact CG-CD2 3.82Å; T218-L239 HydrophobicContact CG2-CB 3.97Å; T218-L239 HydrophobicContact CG2-CD2 4.11Å; L220-L239 HydrophobicContact CB-CD2 4.48Å; L220-L239 HydrophobicContact CD1-CD2 3.6Å; L220-L239 HydrophobicContact CD1-CG 4.46Å; L239-L265 HydrophobicContact CD2-CD2 4.33Å; L239-I286 HydrophobicContact CD1-CG2 3.51Å; L239-I286 HydrophobicContact CG-CG2 3.77Å; L239-I287 PolarHBondContact N-O 3.42Å; L239-Y288 HydrophobicContact CB-CD2 3.8Å; L239-Y288 WeakPolarHBondContact O-CA 3.26Å; L239-T289 PolarHBondContact O-N 3.26Å; L239-T289 VanDerWaalsContact O-N 3.14Å
240	A	98.8	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.8	-178.8	0	0	0	0	0	110.5	N219 Y221 V238 K242 D247 T289	N219-A240 PolarHBondContact N-O 3.09Å; N219-A240 PolarHBondContact O-N 2.77Å; Y221-A240 HydrophobicContact CD2-CB 4.46Å; Y221-A240 HydrophobicContact CE2-CB 4.17Å; V238-A240 HydrophobicContact CG1-CB 4.48Å; A240-K242 PolarHBondContact O-N 3.35Å; A240-D247 HydrophobicContact CB-CB 3.88Å; A240-T289 HydrophobicContact CB-CG2 4.09Å
241	P	98.7	Very high	97.1	Very high	25 Å²	25	42.4 Å²	42.4	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.9	173.2	-28.7	38.7	0	0	0	111	G243 S244 D247 Y288 E290	P241-G243 PolarHBondContact O-N 3.04Å; P241-S244 WeakPolarHBondContact O-CB 3.38Å; P241-S244 PolarHBondContact O-N 3.14Å; P241-S244 PolarHBondContact O-OG 2.9Å; P241-D247 VanDerWaalsContact O-CB 3.26Å; P241-D247 WeakPolarHBondContact O-CB 3.43Å; P241-Y288 HydrophobicContact CG-CE2 3.87Å; P241-Y288 WeakPolarHBondContact CG-OH 3.36Å; P241-E290 HydrophobicContact CG-CG 3.74Å
242	K	98.6	Very high	97.4	Very high	118 Å²	118	43 Å²	43	51%	0.513	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129	-175.6	-75.4	173.9	179.9	174.4	0	110.8	P216 S217 N219 A240 S244	P216-K242 WeakPolarHBondContact O-CE 3.45Å; P216-K242 PolarHBondContact O-NZ 2.72Å; S217-K242 WeakPolarHBondContact O-CB 3.4Å; S217-K242 VanDerWaalsContact O-CG 3.28Å; S217-K242 WeakPolarHBondContact O-CG 3.28Å; S217-K242 PolarHBondContact O-N 3.45Å; N219-K242 WeakPolarHBondContact OD1-CE 3.48Å; A240-K242 PolarHBondContact O-N 3.35Å; K242-S244 VanDerWaalsContact C-N 3.28Å; K242-S244 PolarHBondContact O-N 3.07Å
243	G	97.6	Very high	97.6	Very high	48 Å²	48	40.9 Å²	40.9	50%	0.495	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	2.1	-179.4	0	0	0	0	0	115.2	P241 D247 R248	P241-G243 PolarHBondContact O-N 3.04Å; G243-D247 PolarHBondContact N-OD2 2.92Å; G243-R248 PolarHBondContact O-NH1 2.85Å
244	S	98.3	Very high	97.7	Very high	17 Å²	17	39.9 Å²	39.9	12%	0.119	20%	0.195	C	C	.	.	S	Bend	trans	-70.5	172.8	170.7	66.4	0	0	0	0	112.7	P241 K242 D247 R248 E290	P241-S244 WeakPolarHBondContact O-CB 3.38Å; P241-S244 PolarHBondContact O-N 3.14Å; P241-S244 PolarHBondContact O-OG 2.9Å; K242-S244 VanDerWaalsContact C-N 3.28Å; K242-S244 PolarHBondContact O-N 3.07Å; S244-D247 VanDerWaalsContact OG-CB 3.32Å; S244-D247 WeakPolarHBondContact OG-CB 3.47Å; S244-D247 PolarHBondContact OG-N 2.91Å; S244-R248 WeakPolarHBondContact O-CG 3.45Å; S244-R248 PolarHBondContact O-N 3.26Å; S244-R248 VanDerWaalsContact O-N 3.15Å; S244-R248 PolarHBondContact O-NH1 2.91Å; S244-E290 WeakPolarHBondContact CB-OE1 3.23Å
245	L	97.3	Very high	97.8	Very high	130 Å²	130	40.1 Å²	40.1	68%	0.681	20%	0.198	S	C	*	.	H	α-helix	trans	-65.6	-42	172.4	-77.4	166.9	0	0	0	111.4	D247 R248 F249	L245-D247 VanDerWaalsContact C-N 3.32Å; L245-D247 PolarHBondContact O-N 3.27Å; L245-R248 PolarHBondContact O-N 3.18Å; L245-F249 PolarHBondContact O-N 2.84Å
246	G	98	Very high	97.8	Very high	6 Å²	6	45 Å²	45	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176	0	0	0	0	0	112.5	F249 C250	G246-F249 WeakPolarHBondContact O-CB 3.32Å; G246-F249 PolarHBondContact O-N 3.25Å; G246-C250 WeakPolarHBondContact O-CB 3.2Å; G246-C250 PolarHBondContact O-N 3.06Å; G246-C250 PolarHBondContact O-SG 2.96Å
247	D	98.6	Very high	97.8	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-47.4	176.5	175.7	58.1	0	0	0	111.8	N219 Y221 A240 P241 G243 S244 L245 F249 C250 R251	N219-D247 PolarHBondContact ND2-OD1 3.05Å; Y221-D247 PolarHBondContact OH-OD1 2.96Å; A240-D247 HydrophobicContact CB-CB 3.88Å; P241-D247 VanDerWaalsContact O-CB 3.26Å; P241-D247 WeakPolarHBondContact O-CB 3.43Å; G243-D247 PolarHBondContact N-OD2 2.92Å; S244-D247 VanDerWaalsContact OG-CB 3.32Å; S244-D247 WeakPolarHBondContact OG-CB 3.47Å; S244-D247 PolarHBondContact OG-N 2.91Å; L245-D247 VanDerWaalsContact C-N 3.32Å; L245-D247 PolarHBondContact O-N 3.27Å; D247-F249 VanDerWaalsContact C-N 3.31Å; D247-F249 PolarHBondContact O-N 2.9Å; D247-C250 PolarHBondContact O-N 2.56Å; D247-R251 WeakPolarHBondContact O-CB 3.36Å; D247-R251 PolarHBondContact O-N 3.14Å; D247-R251 IonicContact OD2-NH1 3.93Å
248	R	98.2	Very high	97.8	Very high	107 Å²	107	50.1 Å²	50.1	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-41.4	175.1	-72.3	-168.9	-70.8	-81.5	1.9	112.2	G243 S244 L245	G243-R248 PolarHBondContact O-NH1 2.85Å; S244-R248 WeakPolarHBondContact O-CG 3.45Å; S244-R248 PolarHBondContact O-N 3.26Å; S244-R248 VanDerWaalsContact O-N 3.15Å; S244-R248 PolarHBondContact O-NH1 2.91Å; L245-R248 PolarHBondContact O-N 3.18Å
249	F	97.2	Very high	97.8	Very high	40 Å²	40	51.4 Å²	51.4	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-48.6	176.4	175.8	-85.6	0	0	0	111.5	P174 M178 L179 L245 G246 D247 R253	P174-F249 WeakPolarHBondContact O-CZ 3.45Å; M178-F249 HydrophobicContact CB-CE2 4.01Å; M178-F249 HydrophobicContact CB-CZ 3.74Å; L179-F249 HydrophobicContact CB-CD1 4.4Å; L179-F249 HydrophobicContact CB-CE1 3.94Å; L179-F249 HydrophobicContact CB-CZ 4.39Å; L179-F249 HydrophobicContact CD1-CD1 3.69Å; L179-F249 HydrophobicContact CD1-CE1 4.12Å; L179-F249 HydrophobicContact CD1-CG 4.24Å; L179-F249 HydrophobicContact CG-CD1 4.49Å; L179-F249 HydrophobicContact CG-CE1 4.47Å; L245-F249 PolarHBondContact O-N 2.84Å; G246-F249 WeakPolarHBondContact O-CB 3.32Å; G246-F249 PolarHBondContact O-N 3.25Å; D247-F249 VanDerWaalsContact C-N 3.31Å; D247-F249 PolarHBondContact O-N 2.9Å; F249-R253 WeakPolarHBondContact O-CD 3.34Å; F249-R253 PolarHBondContact O-NH1 2.7Å
250	C	98.4	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-41	-174.7	-65.6	0	0	0	0	112.4	Y221 G246 D247 D252 R253 L254	Y221-C250 HydrophobicContact CD1-CB 4Å; Y221-C250 HydrophobicContact CD2-CB 3.5Å; Y221-C250 VanDerWaalsContact CD2-CB 3.5Å; Y221-C250 HydrophobicContact CE1-CB 4.11Å; Y221-C250 HydrophobicContact CE2-CB 3.61Å; Y221-C250 HydrophobicContact CG-CB 3.71Å; G246-C250 WeakPolarHBondContact O-CB 3.2Å; G246-C250 PolarHBondContact O-N 3.06Å; G246-C250 PolarHBondContact O-SG 2.96Å; D247-C250 PolarHBondContact O-N 2.56Å; C250-D252 PolarHBondContact O-N 2.94Å; C250-D252 VanDerWaalsContact O-N 3.09Å; C250-R253 PolarHBondContact O-N 3.11Å; C250-L254 HydrophobicContact CB-CD1 3.94Å; C250-L254 HydrophobicContact CB-CG 4.31Å; C250-L254 PolarHBondContact O-N 3.41Å
251	R	97.5	Very high	97.5	Very high	114 Å²	114	58.7 Å²	58.7	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-52.7	-38.1	-175.2	-176.2	177.5	61	-121	-0.5	113.5	K117 D247	K117-R251 PolarHBondContact NZ-O 3.33Å; D247-R251 WeakPolarHBondContact O-CB 3.36Å; D247-R251 PolarHBondContact O-N 3.14Å; D247-R251 IonicContact OD2-NH1 3.93Å
252	D	92.2	Very high	97.5	Very high	104 Å²	104	58.5 Å²	58.5	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-87.9	-13.1	-177	-59.2	-20.9	0	0	0	112.8	K117 C250	K117-D252 VanDerWaalsContact CE-C 3.4Å; K117-D252 VanDerWaalsContact CE-O 3.24Å; K117-D252 WeakPolarHBondContact CE-O 3.49Å; C250-D252 PolarHBondContact O-N 2.94Å; C250-D252 VanDerWaalsContact O-N 3.09Å
253	R	95.5	Very high	97.5	Very high	106 Å²	106	57.6 Å²	57.6	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-117	-32.3	-170.1	-67.9	171.9	-177.4	69.6	5.9	114.7	K117 L120 F249 C250	K117-R253 VanDerWaalsContact CG-O 3.32Å; K117-R253 WeakPolarHBondContact CG-O 3.49Å; L120-R253 WeakPolarHBondContact CD1-O 3.41Å; F249-R253 WeakPolarHBondContact O-CD 3.34Å; F249-R253 PolarHBondContact O-NH1 2.7Å; C250-R253 PolarHBondContact O-N 3.11Å
254	L	98.2	Very high	97.5	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.281	C	S	.	.	S	Bend	trans	-116.5	148.7	-168.9	-54.2	-174	0	0	0	111.7	K117 L120 P174 T175 Y221 A223 V238 C250 L256	K117-L254 WeakPolarHBondContact CE-O 3.45Å; L120-L254 HydrophobicContact CD1-CD2 3.57Å; P174-L254 HydrophobicContact CG-CD2 3.73Å; T175-L254 HydrophobicContact CG2-CD1 3.94Å; T175-L254 HydrophobicContact CG2-CD2 4.12Å; Y221-L254 HydrophobicContact CD1-CB 3.98Å; Y221-L254 HydrophobicContact CG-CB 4.22Å; A223-L254 HydrophobicContact CB-CD1 4.1Å; V238-L254 HydrophobicContact CG2-CD1 3.87Å; C250-L254 HydrophobicContact CB-CD1 3.94Å; C250-L254 HydrophobicContact CB-CG 4.31Å; C250-L254 PolarHBondContact O-N 3.41Å; L254-L256 PolarHBondContact O-N 2.92Å
255	P	98.1	Very high	97.5	Very high	19 Å²	19	54.5 Å²	54.5	12%	0.123	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.8	166.5	-22.7	33.4	0	0	0	111.7	L120 Q124 Y221 F222	L120-P255 HydrophobicContact CB-CG 3.85Å; Q124-P255 VanDerWaalsContact OE1-CB 3.27Å; Y221-P255 VanDerWaalsContact CA-O 3.28Å; Y221-P255 WeakPolarHBondContact CA-O 3.42Å; F222-P255 HydrophobicContact CB-CB 4.48Å; F222-P255 PolarHBondContact N-O 2.85Å; F222-P255 WeakPolarHBondContact O-CD 3.29Å
256	L	98.4	Very high	97.6	Very high	104 Å²	104	48.7 Å²	48.7	55%	0.545	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.2	171.8	179.3	70	0	0	0	109.1	N219 Y221 L254	N219-L256 HydrophobicContact CB-CD1 3.87Å; Y221-L256 HydrophobicContact CD1-CB 4.16Å; Y221-L256 HydrophobicContact CD1-CD1 4.1Å; Y221-L256 HydrophobicContact CE1-CB 3.89Å; Y221-L256 HydrophobicContact CE1-CD1 3.59Å; Y221-L256 HydrophobicContact CE1-CG 4.33Å; Y221-L256 HydrophobicContact CE2-CD1 4.34Å; L254-L256 PolarHBondContact O-N 2.92Å
257	L	98.6	Very high	97.6	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.6	175.9	-60.9	176.4	0	0	0	110.4	L220 F222 L237 I259 N262 F264	L220-L257 HydrophobicContact CB-CB 4.36Å; L220-L257 HydrophobicContact CD2-CB 3.96Å; L220-L257 HydrophobicContact CD2-CD1 3.87Å; L220-L257 HydrophobicContact CG-CB 4.09Å; L220-L257 HydrophobicContact CG-CD1 3.96Å; L220-L257 PolarHBondContact O-N 3.01Å; F222-L257 HydrophobicContact CB-CD1 4.1Å; F222-L257 HydrophobicContact CB-CD2 4.42Å; F222-L257 HydrophobicContact CB-CG 4.31Å; L237-L257 HydrophobicContact CD2-CD1 4.09Å; L257-I259 PolarHBondContact O-N 2.94Å; L257-N262 HydrophobicContact CB-CB 4.33Å; L257-F264 HydrophobicContact CD1-CD2 3.68Å; L257-F264 HydrophobicContact CD1-CE2 4.22Å; L257-F264 HydrophobicContact CD2-CD2 4.46Å; L257-F264 HydrophobicContact CD2-CE2 4.33Å
258	D	98.3	Very high	97.5	Very high	97 Å²	97	49.6 Å²	49.6	52%	0.519	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-69.9	116.7	167	-179.9	-5.3	0	0	0	109	A260 C261 N262	D258-A260 PolarHBondContact O-N 2.98Å; D258-A260 PolarHBondContact OD1-N 3.5Å; D258-C261 CarbonylContact O-C 3.47Å; D258-C261 VanDerWaalsContact O-C 3.28Å; D258-C261 PolarHBondContact O-N 2.9Å; D258-N262 PolarHBondContact O-ND2 2.89Å
259	I	98.5	Very high	97.3	Very high	27 Å²	27	49 Å²	49	14%	0.138	26%	0.26	C	S	.	.	S	Bend	trans	-64	-27.9	-177.5	70.5	171.8	0	0	0	112.3	F214 L220 L257 T266 C267	F214-I259 HydrophobicContact CE2-CB 3.77Å; F214-I259 HydrophobicContact CE2-CG2 3.58Å; F214-I259 HydrophobicContact CZ-CB 3.73Å; F214-I259 HydrophobicContact CZ-CG2 3.96Å; L220-I259 HydrophobicContact CB-CG2 3.85Å; L257-I259 PolarHBondContact O-N 2.94Å; I259-T266 CarbonylContact O-C 3.51Å; I259-T266 WeakPolarHBondContact O-CA 3.27Å; I259-T266 WeakPolarHBondContact O-CB 3.35Å; I259-C267 PolarHBondContact O-N 3.09Å
260	A	96.8	Very high	97.2	Very high	56 Å²	56	50 Å²	50	46%	0.463	27%	0.265	S	S	.	.	S	Bend	trans	-82.9	-27.1	179.5	0	0	0	0	0	111.5	D258	D258-A260 PolarHBondContact O-N 2.98Å; D258-A260 PolarHBondContact OD1-N 3.5Å
261	C	95.8	Very high	96.9	Very high	97 Å²	97	58.3 Å²	58.3	66%	0.655	31%	0.309	S	S	*	.	S	Bend	trans	-143.2	87.9	-171.5	-167.8	0	0	0	0	111.6	D258	D258-C261 CarbonylContact O-C 3.47Å; D258-C261 VanDerWaalsContact O-C 3.28Å; D258-C261 PolarHBondContact O-N 2.9Å
262	N	97.5	Very high	96.6	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.107	32%	0.32	C	S	.	.			trans	-149.6	165.3	166.5	70.4	86	0	0	0	109.5	L257 D258 F264 L265 T266	L257-N262 HydrophobicContact CB-CB 4.33Å; D258-N262 PolarHBondContact O-ND2 2.89Å; N262-F264 VanDerWaalsContact C-N 3.32Å; N262-F264 PolarHBondContact O-N 3.31Å; N262-F264 WeakPolarHBondContact OD1-CA 3.22Å; N262-F264 WeakPolarHBondContact OD1-CB 3.43Å; N262-F264 PolarHBondContact OD1-N 2.82Å; N262-L265 PolarHBondContact ND2-O 3.43Å; N262-L265 PolarHBondContact OD1-N 3.43Å; N262-L265 PolarHBondContact OD1-O 2.89Å; N262-T266 WeakPolarHBondContact O-CG2 3.24Å
263	K	98.1	Very high	96.7	Very high	100 Å²	100	57.3 Å²	57.3	44%	0.435	32%	0.323	S	S	.	.	S	Bend	trans	-83.3	-3.7	-176	-63.6	-169.1	179.6	178.8	0	114.5	E128 A131 A279	E128-K263 HydrophobicContact CB-CD 3.95Å; E128-K263 HydrophobicContact CG-CB 4.42Å; E128-K263 HydrophobicContact CG-CD 4.14Å; E128-K263 WeakPolarHBondContact O-CD 3.14Å; E128-K263 PolarHBondContact O-NZ 3.07Å; A131-K263 HydrophobicContact CB-CB 3.76Å; A131-K263 HydrophobicContact CB-CD 4.49Å; K263-A279 WeakPolarHBondContact O-CB 3.47Å
264	F	98.6	Very high	96.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-105.7	-61.1	-170.7	-48.6	-66.9	0	0	0	112.9	Q124 A127 E128 A131 F222 L237 L257 N262 H278 A279 L282 L284	Q124-F264 HydrophobicContact CG-CE2 3.77Å; Q124-F264 HydrophobicContact CG-CZ 3.91Å; A127-F264 HydrophobicContact CB-CE1 3.54Å; A127-F264 HydrophobicContact CB-CZ 3.81Å; E128-F264 HydrophobicContact CG-CE1 4.22Å; E128-F264 HydrophobicContact CG-CE2 4Å; E128-F264 HydrophobicContact CG-CZ 3.52Å; A131-F264 HydrophobicContact CB-CD1 4.27Å; A131-F264 HydrophobicContact CB-CE1 4.27Å; F222-F264 AromaticContact CD2-CE2 4Å; F222-F264 HydrophobicContact CD2-CE2 4Å; F222-F264 HydrophobicContact CD2-CZ 4.07Å; F222-F264 HydrophobicContact CE2-CE2 4.48Å; F222-F264 HydrophobicContact CE2-CZ 4.1Å; L237-F264 HydrophobicContact CD1-CB 3.81Å; L237-F264 HydrophobicContact CD2-CB 4.27Å; L237-F264 HydrophobicContact CD2-CD2 4.47Å; L237-F264 HydrophobicContact CD2-CG 4.44Å; L257-F264 HydrophobicContact CD1-CD2 3.68Å; L257-F264 HydrophobicContact CD1-CE2 4.22Å; L257-F264 HydrophobicContact CD2-CD2 4.46Å; L257-F264 HydrophobicContact CD2-CE2 4.33Å; N262-F264 VanDerWaalsContact C-N 3.32Å; N262-F264 PolarHBondContact O-N 3.31Å; N262-F264 WeakPolarHBondContact OD1-CA 3.22Å; N262-F264 WeakPolarHBondContact OD1-CB 3.43Å; N262-F264 PolarHBondContact OD1-N 2.82Å; F264-H278 CarbonylContact O-C 3.59Å; F264-H278 VanDerWaalsContact O-CA 3.27Å; F264-H278 WeakPolarHBondContact O-CA 3.42Å; F264-A279 PolarHBondContact O-N 2.95Å; F264-L282 HydrophobicContact CD1-CD1 3.77Å; F264-L282 HydrophobicContact CE1-CD1 3.89Å; F264-L284 VanDerWaalsContact O-CD1 3.27Å; F264-L284 WeakPolarHBondContact O-CD1 3.49Å
265	L	98.7	Very high	96.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	112.8	-172.8	-172.9	72.8	0	0	0	109.8	F137 F140 F214 L220 L237 L239 N262 R277 H278 L284 I286	F137-L265 HydrophobicContact CE1-CD1 3.47Å; F137-L265 VanDerWaalsContact CE1-CD1 3.47Å; F137-L265 HydrophobicContact CZ-CD1 3.55Å; F140-L265 HydrophobicContact CE1-CD2 4.17Å; F140-L265 HydrophobicContact CZ-CD2 4.18Å; F214-L265 HydrophobicContact CD1-CD2 4.14Å; F214-L265 HydrophobicContact CD1-CG 4.19Å; F214-L265 HydrophobicContact CE1-CD2 4.01Å; F214-L265 HydrophobicContact CE1-CG 3.76Å; F214-L265 HydrophobicContact CZ-CG 4.48Å; L220-L265 HydrophobicContact CD1-CD2 4.06Å; L220-L265 HydrophobicContact CD2-CB 4.14Å; L220-L265 WeakPolarHBondContact CD2-O 3.35Å; L237-L265 HydrophobicContact CD1-CB 3.6Å; L237-L265 HydrophobicContact CD1-CD2 4.26Å; L239-L265 HydrophobicContact CD2-CD2 4.33Å; N262-L265 PolarHBondContact ND2-O 3.43Å; N262-L265 PolarHBondContact OD1-N 3.43Å; N262-L265 PolarHBondContact OD1-O 2.89Å; L265-R277 CarbonylContact C-O 3.54Å; L265-R277 VanDerWaalsContact CA-O 3.31Å; L265-R277 WeakPolarHBondContact CA-O 3.47Å; L265-H278 HydrophobicContact CD1-CB 4.06Å; L265-L284 HydrophobicContact CB-CD1 4.27Å; L265-L284 HydrophobicContact CD1-CD1 4.22Å; L265-I286 HydrophobicContact CD2-CD1 3.92Å
266	T	98.6	Very high	96.8	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.3	-177.1	59.7	0	0	0	0	113.2	M134 F214 I259 N262 F276 R277	M134-T266 HydrophobicContact CE-CG2 3.83Å; M134-T266 HydrophobicContact SD-CG2 4.29Å; F214-T266 VanDerWaalsContact CE1-C 3.48Å; I259-T266 CarbonylContact O-C 3.51Å; I259-T266 WeakPolarHBondContact O-CA 3.27Å; I259-T266 WeakPolarHBondContact O-CB 3.35Å; N262-T266 WeakPolarHBondContact O-CG2 3.24Å; T266-F276 VanDerWaalsContact O-CA 3.25Å; T266-F276 WeakPolarHBondContact O-CA 3.48Å; T266-R277 PolarHBondContact N-O 2.93Å; T266-R277 PolarHBondContact O-N 2.87Å; T266-R277 VanDerWaalsContact O-N 3.08Å; T266-R277 WeakPolarHBondContact OG1-CB 3.36Å
267	C	98.4	Very high	96.8	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.034	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	98.8	172.8	167.8	0	0	0	0	106.8	F214 I259 V275 F276	F214-C267 HydrophobicContact CD1-CB 3.67Å; F214-C267 HydrophobicContact CD2-CB 4.38Å; F214-C267 HydrophobicContact CE1-CB 3.39Å; F214-C267 HydrophobicContact CE2-CB 4.15Å; F214-C267 HydrophobicContact CG-CB 4.17Å; F214-C267 HydrophobicContact CZ-CB 3.66Å; I259-C267 PolarHBondContact O-N 3.09Å; C267-V275 WeakPolarHBondContact CA-O 3.49Å; C267-F276 HydrophobicContact CB-CD1 3.91Å; C267-F276 HydrophobicContact CB-CE1 3.92Å
268	S	96.6	Very high	96.7	Very high	27 Å²	27	52.9 Å²	52.9	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	165.3	178	58.2	0	0	0	0	110.7	L274 V275	S268-L274 CarbonylContact O-C 3.59Å; S268-L274 WeakPolarHBondContact O-CA 3.34Å; S268-V275 PolarHBondContact N-O 3.48Å; S268-V275 PolarHBondContact O-N 3.31Å
269	V	94.6	Very high	96.7	Very high	95 Å²	95	48.2 Å²	48.2	58%	0.576	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.8	171.3	-179.2	0	0	0	0	108.1	E273 L274	V269-E273 CarbonylContact C-O 3.51Å; V269-E273 WeakPolarHBondContact CA-O 3.2Å; V269-L274 HydrophobicContact CG2-CD2 3.84Å
270	E	93.3	Very high	96.6	Very high	61 Å²	61	50 Å²	50	29%	0.285	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.4	172.1	-58.9	176.3	-170.6	0	0	107.4	R136 G272 E273 V275 R277	R136-E270 IonicContact CZ-OE2 3.2Å; R136-E270 IonicContact NH2-OE1 2.84Å; R136-E270 IonicContact NH2-OE2 2.91Å; R136-E270 PolarHBondContact NH2-OE2 3.2Å; E270-G272 PolarHBondContact O-N 3.28Å; E270-G272 VanDerWaalsContact O-N 3.09Å; E270-E273 PolarHBondContact N-O 2.66Å; E270-E273 PolarHBondContact O-N 2.91Å; E270-V275 HydrophobicContact CB-CB 4.49Å; E270-V275 HydrophobicContact CB-CG2 3.71Å; E270-V275 HydrophobicContact CG-CB 4.12Å; E270-V275 HydrophobicContact CG-CG2 3.87Å; E270-R277 IonicContact OE1-CZ 3.85Å; E270-R277 IonicContact OE1-NE 2.92Å; E270-R277 IonicContact OE1-NH2 3.76Å; E270-R277 PolarHBondContact OE1-NH2 3.32Å; E270-R277 IonicContact OE2-NH2 3.55Å; E270-R277 PolarHBondContact OE2-NH2 2.97Å
271	D	92.7	Very high	96.4	Very high	174 Å²	174	51.1 Å²	51.1	93%	0.93	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.8	-178.4	-57.7	-37.5	0	0	0	115.1	E273	D271-E273 VanDerWaalsContact C-N 3.32Å
272	G	91	Very high	96.4	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-5.8	180	0	0	0	0	0	114.9	E270	E270-G272 PolarHBondContact O-N 3.28Å; E270-G272 VanDerWaalsContact O-N 3.09Å
273	E	94.2	Very high	96.3	Very high	134 Å²	134	48 Å²	48	63%	0.626	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.9	-178.9	-66.7	-60.7	145	0	0	111.9	V269 E270 D271 V275	V269-E273 CarbonylContact C-O 3.51Å; V269-E273 WeakPolarHBondContact CA-O 3.2Å; E270-E273 PolarHBondContact N-O 2.66Å; E270-E273 PolarHBondContact O-N 2.91Å; D271-E273 VanDerWaalsContact C-N 3.32Å; E273-V275 PolarHBondContact O-N 2.73Å
274	L	96.9	Very high	96.3	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.267	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.2	174	-68.5	175.9	0	0	0	110.3	Q211 N215 S268 V269 F276	Q211-L274 HydrophobicContact CB-CD1 4.13Å; N215-L274 HydrophobicContact CB-CD1 4.31Å; S268-L274 CarbonylContact O-C 3.59Å; S268-L274 WeakPolarHBondContact O-CA 3.34Å; V269-L274 HydrophobicContact CG2-CD2 3.84Å; L274-F276 HydrophobicContact CB-CE1 4.33Å; L274-F276 HydrophobicContact CB-CE2 3.86Å; L274-F276 HydrophobicContact CB-CZ 3.56Å; L274-F276 HydrophobicContact CD1-CZ 4.05Å; L274-F276 HydrophobicContact CG-CZ 4.41Å
275	V	98.2	Very high	96.3	Very high	20 Å²	20	44.1 Å²	44.1	12%	0.121	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	176.2	177.2	0	0	0	0	109.4	R136 C267 S268 E270 E273 R277	R136-V275 HydrophobicContact CG-CG1 4.27Å; C267-V275 WeakPolarHBondContact CA-O 3.49Å; S268-V275 PolarHBondContact N-O 3.48Å; S268-V275 PolarHBondContact O-N 3.31Å; E270-V275 HydrophobicContact CB-CB 4.49Å; E270-V275 HydrophobicContact CB-CG2 3.71Å; E270-V275 HydrophobicContact CG-CB 4.12Å; E270-V275 HydrophobicContact CG-CG2 3.87Å; E273-V275 PolarHBondContact O-N 2.73Å; V275-R277 HydrophobicContact CG1-CG 4.43Å
276	F	98.5	Very high	96.3	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.5	-178.5	-49.1	-83	0	0	0	111.2	R136 F137 A210 Q211 F214 T266 C267 L274	R136-F276 VanDerWaalsContact CA-O 3.3Å; R136-F276 WeakPolarHBondContact CA-O 3.45Å; F137-F276 HydrophobicContact CD1-CB 3.82Å; F137-F276 HydrophobicContact CE1-CB 3.36Å; F137-F276 HydrophobicContact CE2-CB 4.18Å; F137-F276 HydrophobicContact CG-CB 4.4Å; F137-F276 HydrophobicContact CZ-CB 3.55Å; F137-F276 HydrophobicContact CZ-CG 4.3Å; F137-F276 PolarHBondContact N-O 2.77Å; F137-F276 VanDerWaalsContact N-O 3.14Å; A210-F276 HydrophobicContact CB-CB 4.4Å; A210-F276 HydrophobicContact CB-CD1 4.04Å; A210-F276 HydrophobicContact CB-CD2 3.62Å; A210-F276 HydrophobicContact CB-CE1 4.22Å; A210-F276 HydrophobicContact CB-CE2 3.82Å; A210-F276 HydrophobicContact CB-CG 3.73Å; A210-F276 HydrophobicContact CB-CZ 4.12Å; Q211-F276 HydrophobicContact CB-CE2 4.22Å; Q211-F276 HydrophobicContact CB-CZ 3.74Å; F214-F276 HydrophobicContact CD1-CD1 4.02Å; F214-F276 HydrophobicContact CD1-CE1 4.41Å; F214-F276 WeakPolarHBondContact O-CE1 3.21Å; T266-F276 VanDerWaalsContact O-CA 3.25Å; T266-F276 WeakPolarHBondContact O-CA 3.48Å; C267-F276 HydrophobicContact CB-CD1 3.91Å; C267-F276 HydrophobicContact CB-CE1 3.92Å; L274-F276 HydrophobicContact CB-CE1 4.33Å; L274-F276 HydrophobicContact CB-CE2 3.86Å; L274-F276 HydrophobicContact CB-CZ 3.56Å; L274-F276 HydrophobicContact CD1-CZ 4.05Å; L274-F276 HydrophobicContact CG-CZ 4.41Å
277	R	98.3	Very high	96.3	Very high	59 Å²	59	43.8 Å²	43.8	22%	0.223	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.5	176.6	-50.2	174.5	-178.3	-93.7	1.5	111.5	M134 L135 R136 L265 T266 E270 V275	M134-R277 HydrophobicContact CB-CB 3.98Å; M134-R277 HydrophobicContact CE-CB 3.92Å; M134-R277 WeakPolarHBondContact CE-O 3.43Å; M134-R277 HydrophobicContact SD-CB 4.45Å; L135-R277 CarbonylContact O-C 3.48Å; L135-R277 WeakPolarHBondContact O-CA 3.48Å; L135-R277 WeakPolarHBondContact O-CB 3.4Å; R136-R277 HydrophobicContact CG-CG 4.25Å; L265-R277 CarbonylContact C-O 3.54Å; L265-R277 VanDerWaalsContact CA-O 3.31Å; L265-R277 WeakPolarHBondContact CA-O 3.47Å; T266-R277 PolarHBondContact N-O 2.93Å; T266-R277 PolarHBondContact O-N 2.87Å; T266-R277 VanDerWaalsContact O-N 3.08Å; T266-R277 WeakPolarHBondContact OG1-CB 3.36Å; E270-R277 IonicContact OE1-CZ 3.85Å; E270-R277 IonicContact OE1-NE 2.92Å; E270-R277 IonicContact OE1-NH2 3.76Å; E270-R277 PolarHBondContact OE1-NH2 3.32Å; E270-R277 IonicContact OE2-NH2 3.55Å; E270-R277 PolarHBondContact OE2-NH2 2.97Å; V275-R277 HydrophobicContact CG1-CG 4.43Å
278	H	98.3	Very high	96.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.2	174.9	75.3	82.1	0	0	0	110.8	M134 L135 F137 C186 T188 F264 L265 Q280 L284	M134-H278 CarbonylContact C-O 3.45Å; M134-H278 WeakPolarHBondContact CA-O 3.3Å; M134-H278 WeakPolarHBondContact CB-O 3.38Å; L135-H278 PolarHBondContact N-O 2.96Å; L135-H278 PolarHBondContact O-N 2.97Å; F137-H278 HydrophobicContact CD1-CB 4.11Å; F137-H278 AromaticContact CD1-CD2 3.93Å; F137-H278 HydrophobicContact CE1-CB 4.29Å; C186-H278 PolarHBondContact O-CD2 3.11Å; T188-H278 PolarHBondContact N-CE1 3.28Å; T188-H278 PolarHBondContact N-NE2 2.85Å; T188-H278 VanDerWaalsContact N-NE2 3.12Å; T188-H278 PolarHBondContact OG1-NE2 2.71Å; T188-H278 VanDerWaalsContact OG1-NE2 3.09Å; F264-H278 CarbonylContact O-C 3.59Å; F264-H278 VanDerWaalsContact O-CA 3.27Å; F264-H278 WeakPolarHBondContact O-CA 3.42Å; L265-H278 HydrophobicContact CD1-CB 4.06Å; H278-Q280 PolarHBondContact O-N 2.84Å; H278-L284 HydrophobicContact CB-CD1 3.8Å
279	A	97.8	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.1	170.1	0	0	0	0	0	110.2	A131 K263 F264 L282	A131-A279 HydrophobicContact CB-CB 4.31Å; K263-A279 WeakPolarHBondContact O-CB 3.47Å; F264-A279 PolarHBondContact O-N 2.95Å; A279-L282 HydrophobicContact CB-CB 4.16Å; A279-L282 HydrophobicContact CB-CD1 4.4Å
280	Q	95.3	Very high	96.6	Very high	65 Å²	65	42.3 Å²	42.3	30%	0.304	22%	0.223	S	C	.	.	S	Bend	trans	-74.4	-41.1	178.1	-176.5	177.8	-14.2	0	0	111.6	R133 L135 H278 L282	R133-Q280 WeakPolarHBondContact O-CB 3.28Å; R133-Q280 PolarHBondContact O-N 2.97Å; L135-Q280 HydrophobicContact CD1-CB 4.12Å; L135-Q280 HydrophobicContact CD1-CG 3.78Å; L135-Q280 HydrophobicContact CG-CB 4.08Å; L135-Q280 HydrophobicContact CG-CG 4.24Å; H278-Q280 PolarHBondContact O-N 2.84Å; Q280-L282 PolarHBondContact O-N 2.89Å
281	D	93.9	Very high	96.8	Very high	79 Å²	79	41.9 Å²	41.9	42%	0.422	23%	0.226	S	C	.	.	S	Bend	trans	-84	2.1	-169.5	-53.6	-57.4	0	0	0	113.2	I130 G132 R133	I130-D281 HydrophobicContact CG2-CB 4.36Å; I130-D281 WeakPolarHBondContact O-CB 3.5Å; G132-D281 PolarHBondContact N-OD2 3.13Å; R133-D281 PolarHBondContact N-OD2 2.89Å
282	L	96	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-127	140.1	176.7	-66.4	177.1	0	0	0	110.2	A127 I130 A131 N187 F225 H233 A235 F264 A279 Q280 L284	A127-L282 HydrophobicContact CB-CD1 4.4Å; I130-L282 HydrophobicContact CB-CD2 4.42Å; I130-L282 HydrophobicContact CG2-CD2 4.3Å; A131-L282 HydrophobicContact CB-CD1 3.85Å; N187-L282 PolarHBondContact ND2-O 2.84Å; F225-L282 HydrophobicContact CD2-CD2 4.47Å; F225-L282 HydrophobicContact CE2-CD2 3.67Å; H233-L282 HydrophobicContact CB-CD2 3.92Å; A235-L282 HydrophobicContact CB-CD1 4.26Å; F264-L282 HydrophobicContact CD1-CD1 3.77Å; F264-L282 HydrophobicContact CE1-CD1 3.89Å; A279-L282 HydrophobicContact CB-CB 4.16Å; A279-L282 HydrophobicContact CB-CD1 4.4Å; Q280-L282 PolarHBondContact O-N 2.89Å; L282-L284 HydrophobicContact CB-CD2 4Å
283	I	95.5	Very high	97.4	Very high	50 Å²	50	33.1 Å²	33.1	26%	0.256	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.8	166.7	-58.3	173.9	0	0	0	107.6	Y232 H233 Y234 A235	Y232-I283 HydrophobicContact CD1-CD1 4.42Å; Y232-I283 HydrophobicContact CG-CD1 4.11Å; H233-I283 PolarHBondContact O-N 3.46Å; Y234-I283 CarbonylContact C-O 3.55Å; Y234-I283 WeakPolarHBondContact CA-O 3.17Å; Y234-I283 HydrophobicContact CD1-CB 3.61Å; Y234-I283 HydrophobicContact CD1-CD1 4.36Å; Y234-I283 HydrophobicContact CD1-CG2 3.54Å; Y234-I283 HydrophobicContact CE1-CB 3.73Å; Y234-I283 HydrophobicContact CE1-CD1 3.65Å; Y234-I283 HydrophobicContact CE1-CG1 4.29Å; Y234-I283 HydrophobicContact CE1-CG2 3.48Å; Y234-I283 VanDerWaalsContact CE1-CG2 3.48Å; Y234-I283 HydrophobicContact CE2-CD1 4.29Å; Y234-I283 HydrophobicContact CG-CB 4.23Å; A235-I283 PolarHBondContact N-O 3.13Å
284	L	97.6	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.5	-177.8	-55.3	-171.6	0	0	0	110.3	N187 A235 L237 F264 L265 H278 L282 I286	N187-L284 PolarHBondContact OD1-N 3.04Å; A235-L284 HydrophobicContact CB-CD2 3.92Å; A235-L284 WeakPolarHBondContact O-CA 3.16Å; L237-L284 HydrophobicContact CD1-CD1 4.14Å; L237-L284 HydrophobicContact CD1-CD2 4.38Å; F264-L284 VanDerWaalsContact O-CD1 3.27Å; F264-L284 WeakPolarHBondContact O-CD1 3.49Å; L265-L284 HydrophobicContact CB-CD1 4.27Å; L265-L284 HydrophobicContact CD1-CD1 4.22Å; H278-L284 HydrophobicContact CB-CD1 3.8Å; L282-L284 HydrophobicContact CB-CD2 4Å; L284-I286 HydrophobicContact CB-CD1 3.87Å; L284-I286 HydrophobicContact CB-CG1 4.5Å
285	E	97.2	Very high	97.6	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.089	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.2	169.4	-66.8	-174.5	166.1	0	0	108.5	Y226 Y234 A235 I236 L237 T312	Y226-E285 PolarHBondContact OH-OE1 2.81Å; Y226-E285 PolarHBondContact OH-OE2 2.72Å; Y226-E285 VanDerWaalsContact OH-OE2 3.06Å; Y234-E285 HydrophobicContact CD1-CG 4.2Å; A235-E285 PolarHBondContact O-N 2.79Å; I236-E285 CarbonylContact C-O 3.59Å; I236-E285 WeakPolarHBondContact CA-O 3.26Å; I236-E285 HydrophobicContact CG1-CB 4.18Å; L237-E285 PolarHBondContact N-O 3.05Å; E285-T312 WeakPolarHBondContact OE1-CB 3.17Å; E285-T312 WeakPolarHBondContact OE1-CG2 3.33Å; E285-T312 PolarHBondContact OE1-OG1 3.41Å
286	I	98.7	Very high	97.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.2	-173.1	-51.4	-56.5	0	0	0	109.3	F140 F183 F184 L237 L239 L265 L284	F140-I286 HydrophobicContact CD1-CB 4.47Å; F140-I286 HydrophobicContact CD1-CG1 4.21Å; F140-I286 HydrophobicContact CD1-CG2 4.28Å; F140-I286 HydrophobicContact CE1-CB 4.5Å; F140-I286 HydrophobicContact CE1-CG1 4.03Å; F140-I286 HydrophobicContact CE1-CG2 4.07Å; F183-I286 CarbonylContact C-O 3.54Å; F183-I286 WeakPolarHBondContact CA-O 3.34Å; F184-I286 HydrophobicContact CB-CB 4.22Å; F184-I286 PolarHBondContact N-O 2.72Å; F184-I286 PolarHBondContact O-N 3.29Å; L237-I286 HydrophobicContact CB-CD1 3.88Å; L237-I286 HydrophobicContact CD1-CD1 3.97Å; L237-I286 HydrophobicContact CG-CD1 4.29Å; L237-I286 WeakPolarHBondContact O-CA 3.4Å; L239-I286 HydrophobicContact CD1-CG2 3.51Å; L239-I286 HydrophobicContact CG-CG2 3.77Å; L265-I286 HydrophobicContact CD2-CD1 3.92Å; L284-I286 HydrophobicContact CB-CD1 3.87Å; L284-I286 HydrophobicContact CB-CG1 4.5Å
287	I	98.7	Very high	97.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.3	173.3	-50.5	-178.7	0	0	0	107.9	K165 L179 F183 I236 L237 V238 L239	K165-I287 HydrophobicContact CD-CD1 3.94Å; K165-I287 HydrophobicContact CG-CD1 4.3Å; L179-I287 HydrophobicContact CD2-CD1 4.29Å; L179-I287 HydrophobicContact CD2-CG2 4.08Å; F183-I287 HydrophobicContact CD1-CD1 4.36Å; F183-I287 HydrophobicContact CD1-CG1 3.79Å; F183-I287 HydrophobicContact CE1-CB 4.41Å; F183-I287 HydrophobicContact CE1-CD1 3.84Å; F183-I287 HydrophobicContact CE1-CG1 3.71Å; F183-I287 HydrophobicContact CE1-CG2 4.05Å; I236-I287 HydrophobicContact CG2-CD1 3.59Å; I236-I287 HydrophobicContact CG2-CG1 3.93Å; L237-I287 PolarHBondContact O-N 2.79Å; V238-I287 CarbonylContact C-O 3.59Å; V238-I287 WeakPolarHBondContact CA-O 3.42Å; V238-I287 HydrophobicContact CG1-CB 4.41Å; V238-I287 HydrophobicContact CG2-CB 4.26Å; V238-I287 HydrophobicContact CG2-CD1 4.3Å; L239-I287 PolarHBondContact N-O 3.42Å
288	Y	98.9	Very high	97.5	Very high	27 Å²	27	33.2 Å²	33.2	11%	0.106	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.9	169.3	-175	-106.9	0	0	0	109.8	G181 V182 L213 L239 P241 E290 V292	G181-Y288 CarbonylContact C-O 3.58Å; G181-Y288 WeakPolarHBondContact CA-O 3.5Å; V182-Y288 PolarHBondContact N-O 2.81Å; V182-Y288 PolarHBondContact O-N 2.87Å; L213-Y288 HydrophobicContact CB-CD2 3.97Å; L213-Y288 HydrophobicContact CB-CE2 4.06Å; L213-Y288 HydrophobicContact CB-CG 4.5Å; L213-Y288 HydrophobicContact CD1-CG 4.34Å; L213-Y288 HydrophobicContact CD2-CD1 3.9Å; L213-Y288 HydrophobicContact CD2-CD2 4.17Å; L213-Y288 HydrophobicContact CD2-CE1 3.74Å; L213-Y288 HydrophobicContact CD2-CE2 4.05Å; L213-Y288 HydrophobicContact CD2-CG 4.09Å; L213-Y288 HydrophobicContact CG-CD2 4.47Å; L213-Y288 WeakPolarHBondContact O-CE2 3.32Å; L239-Y288 HydrophobicContact CB-CD2 3.8Å; L239-Y288 WeakPolarHBondContact O-CA 3.26Å; P241-Y288 HydrophobicContact CG-CE2 3.87Å; P241-Y288 WeakPolarHBondContact CG-OH 3.36Å; Y288-E290 VanDerWaalsContact C-N 3.33Å; Y288-E290 HydrophobicContact CD1-CB 4.32Å; Y288-E290 WeakPolarHBondContact CD1-O 2.92Å; Y288-E290 HydrophobicContact CE1-CB 3.66Å; Y288-E290 WeakPolarHBondContact CE1-O 2.88Å; Y288-E290 PolarHBondContact O-N 2.87Å; Y288-V292 HydrophobicContact CD1-CG2 3.48Å; Y288-V292 VanDerWaalsContact CD1-CG2 3.48Å; Y288-V292 HydrophobicContact CE1-CG2 3.82Å
289	T	98.7	Very high	97.5	Very high	8 Å²	8	36 Å²	36	5%	0.049	20%	0.203	C	C	.	.			trans	-81	-8.8	-164.8	62.8	0	0	0	0	115.3	L179 V238 L239 A240	L179-T289 HydrophobicContact CD1-CG2 4.03Å; L179-T289 HydrophobicContact CD2-CG2 4.5Å; V238-T289 HydrophobicContact CG1-CG2 3.45Å; V238-T289 VanDerWaalsContact CG1-CG2 3.45Å; L239-T289 PolarHBondContact O-N 3.26Å; L239-T289 VanDerWaalsContact O-N 3.14Å; A240-T289 HydrophobicContact CB-CG2 4.09Å
290	E	98.5	Very high	97.5	Very high	60 Å²	60	37.4 Å²	37.4	28%	0.28	22%	0.217	S	C	.	.	S	Bend	trans	-111.1	159.8	-177	-61.6	-59.6	125.7	0	0	111.9	P241 S244 Y288	P241-E290 HydrophobicContact CG-CG 3.74Å; S244-E290 WeakPolarHBondContact CB-OE1 3.23Å; Y288-E290 VanDerWaalsContact C-N 3.33Å; Y288-E290 HydrophobicContact CD1-CB 4.32Å; Y288-E290 WeakPolarHBondContact CD1-O 2.92Å; Y288-E290 HydrophobicContact CE1-CB 3.66Å; Y288-E290 WeakPolarHBondContact CE1-O 2.88Å; Y288-E290 PolarHBondContact O-N 2.87Å
291	P	98.2	Very high	97.6	Very high	52 Å²	52	39.4 Å²	39.4	34%	0.338	23%	0.227	S	C	.	.			trans	-57.8	145	172.1	-22.3	32.8	0	0	0	112.6	M159 L160 P162	M159-P291 HydrophobicContact CE-CB 3.51Å; L160-P291 WeakPolarHBondContact O-CA 3.43Å; P162-P291 HydrophobicContact CG-CG 4.06Å
292	V	98.7	Very high	97.7	Very high	4 Å²	4	36 Å²	36	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.5	180	-177.3	0	0	0	0	110.5	M159 L160 V182 F184 F206 I208 L213 Y288 L294	M159-V292 CarbonylContact C-O 3.59Å; M159-V292 WeakPolarHBondContact CA-O 3.27Å; L160-V292 HydrophobicContact CB-CB 4.28Å; L160-V292 PolarHBondContact N-O 3.46Å; L160-V292 PolarHBondContact O-N 3.28Å; V182-V292 HydrophobicContact CB-CG2 4.43Å; V182-V292 HydrophobicContact CG2-CG2 4.33Å; F184-V292 HydrophobicContact CE2-CG2 4.09Å; F184-V292 HydrophobicContact CZ-CB 4.41Å; F184-V292 HydrophobicContact CZ-CG1 4.3Å; F184-V292 HydrophobicContact CZ-CG2 4.04Å; F206-V292 HydrophobicContact CE1-CG1 3.99Å; F206-V292 HydrophobicContact CZ-CG1 4.36Å; I208-V292 HydrophobicContact CD1-CG1 3.64Å; L213-V292 HydrophobicContact CD2-CG1 4.36Å; L213-V292 HydrophobicContact CD2-CG2 4.01Å; Y288-V292 HydrophobicContact CD1-CG2 3.48Å; Y288-V292 VanDerWaalsContact CD1-CG2 3.48Å; Y288-V292 HydrophobicContact CE1-CG2 3.82Å; V292-L294 PolarHBondContact O-N 2.92Å
293	D	98.1	Very high	97.4	Very high	49 Å²	49	40.5 Å²	40.5	26%	0.262	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.5	175.4	-170	-15.6	0	0	0	110.5	N158 M159 S295 L296	N158-D293 PolarHBondContact ND2-OD1 2.97Å; M159-D293 HydrophobicContact CE-CB 4.14Å; M159-D293 WeakPolarHBondContact SD-CA 3.45Å; M159-D293 HydrophobicContact SD-CB 3.5Å; M159-D293 VanDerWaalsContact SD-CB 3.5Å; D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact O-N 2.83Å; D293-S295 WeakPolarHBondContact OD1-CB 3.32Å; D293-S295 PolarHBondContact OD1-N 3.04Å; D293-S295 PolarHBondContact OD1-OG 2.89Å; D293-S295 PolarHBondContact OD2-OG 3.09Å; D293-L296 HydrophobicContact CB-CD1 4.03Å; D293-L296 HydrophobicContact CB-CG 4.03Å; D293-L296 WeakPolarHBondContact O-CB 3.31Å; D293-L296 PolarHBondContact O-N 2.86Å; D293-L296 VanDerWaalsContact O-N 3.12Å
294	L	97.8	Very high	97.3	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.068	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.8	-22.8	177.5	-74.3	172.8	0	0	0	112.5	F149 A152 R153 N158 L160 F206 V292 L296 G297	F149-L294 HydrophobicContact CD1-CD2 4.25Å; A152-L294 HydrophobicContact CB-CD1 3.9Å; R153-L294 HydrophobicContact CG-CD1 3.66Å; N158-L294 WeakPolarHBondContact O-CB 3.46Å; N158-L294 PolarHBondContact O-N 3.48Å; L160-L294 HydrophobicContact CD1-CD2 3.97Å; L160-L294 HydrophobicContact CD2-CD1 4.36Å; L160-L294 HydrophobicContact CD2-CD2 3.82Å; L160-L294 HydrophobicContact CD2-CG 4.21Å; L160-L294 HydrophobicContact CG-CD2 3.71Å; L160-L294 HydrophobicContact CG-CG 4.09Å; F206-L294 HydrophobicContact CB-CD2 4.45Å; F206-L294 HydrophobicContact CD1-CD2 4.15Å; F206-L294 HydrophobicContact CD2-CD2 3.57Å; F206-L294 HydrophobicContact CE1-CD2 4.28Å; F206-L294 HydrophobicContact CE2-CB 4.44Å; F206-L294 HydrophobicContact CE2-CD2 3.71Å; F206-L294 WeakPolarHBondContact CE2-O 3.31Å; F206-L294 HydrophobicContact CG-CD2 3.8Å; F206-L294 HydrophobicContact CZ-CD2 4.06Å; V292-L294 PolarHBondContact O-N 2.92Å; L294-L296 PolarHBondContact O-N 2.87Å; L294-G297 PolarHBondContact O-N 2.87Å
295	S	96.8	Very high	97	Very high	82 Å²	82	44.9 Å²	44.9	57%	0.573	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-70.4	-15.5	176.9	80.8	0	0	0	0	113.3	N158 D293 G297	N158-S295 PolarHBondContact ND2-N 3Å; D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact O-N 2.83Å; D293-S295 WeakPolarHBondContact OD1-CB 3.32Å; D293-S295 PolarHBondContact OD1-N 3.04Å; D293-S295 PolarHBondContact OD1-OG 2.89Å; D293-S295 PolarHBondContact OD2-OG 3.09Å; S295-G297 PolarHBondContact O-N 2.93Å
296	L	97.9	Very high	96.7	Very high	72 Å²	72	46.8 Å²	46.8	38%	0.377	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-80.3	-5.4	178.4	-63.9	176.3	0	0	0	113.3	I208 P209 D293 L294	I208-L296 HydrophobicContact CD1-CB 3.88Å; I208-L296 HydrophobicContact CG1-CB 4.36Å; P209-L296 WeakPolarHBondContact CD-O 3.29Å; D293-L296 HydrophobicContact CB-CD1 4.03Å; D293-L296 HydrophobicContact CB-CG 4.03Å; D293-L296 WeakPolarHBondContact O-CB 3.31Å; D293-L296 PolarHBondContact O-N 2.86Å; D293-L296 VanDerWaalsContact O-N 3.12Å; L294-L296 PolarHBondContact O-N 2.87Å
297	G	98	Very high	96.1	Very high	20 Å²	20	49.9 Å²	49.9	21%	0.206	29%	0.286	C	S	.	.	S	Bend	trans	-138.6	-166.9	-178.4	0	0	0	0	0	112.9	Q207 L294 S295	Q207-G297 CarbonylContact O-C 3.58Å; Q207-G297 WeakPolarHBondContact O-CA 3.3Å; L294-G297 PolarHBondContact O-N 2.87Å; S295-G297 PolarHBondContact O-N 2.93Å
298	T	98	Very high	95.3	Very high	94 Å²	94	56.1 Å²	56.1	58%	0.577	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.4	178.5	58.7	0	0	0	0	110	F206 Q207	F206-T298 CarbonylContact C-O 3.48Å; F206-T298 VanDerWaalsContact CA-O 3.29Å; F206-T298 WeakPolarHBondContact CA-O 3.37Å; F206-T298 WeakPolarHBondContact CD2-O 3.48Å; Q207-T298 PolarHBondContact N-O 2.83Å; Q207-T298 PolarHBondContact O-N 3.44Å
299	L	97.7	Very high	94.3	Very high	60 Å²	60	60.3 Å²	60.3	31%	0.314	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.3	178.1	177.7	65.9	0	0	0	108.8	F149 W204 R205 F206	F149-L299 HydrophobicContact CB-CD1 4.13Å; F149-L299 HydrophobicContact CB-CD2 3.67Å; F149-L299 HydrophobicContact CD1-CD1 3.84Å; F149-L299 HydrophobicContact CD2-CD1 3.68Å; F149-L299 HydrophobicContact CE1-CD1 4.13Å; F149-L299 HydrophobicContact CE2-CD1 3.96Å; F149-L299 HydrophobicContact CG-CD1 3.6Å; F149-L299 HydrophobicContact CG-CD2 4.09Å; F149-L299 HydrophobicContact CZ-CD1 4.18Å; W204-L299 HydrophobicContact CE3-CD1 3.97Å; W204-L299 HydrophobicContact CE3-CD2 4.27Å; W204-L299 HydrophobicContact CE3-CG 3.81Å; W204-L299 HydrophobicContact CZ3-CD2 4.41Å; W204-L299 HydrophobicContact CZ3-CG 4.09Å; R205-L299 WeakPolarHBondContact O-CA 3.39Å; F206-L299 HydrophobicContact CB-CD1 4.16Å
300	G	96.9	Very high	93.5	Very high	30 Å²	30	63.8 Å²	63.8	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	171.5	178.5	0	0	0	0	0	112.5	W204 R205	W204-G300 WeakPolarHBondContact CA-O 3.31Å; R205-G300 PolarHBondContact N-O 2.87Å; R205-G300 PolarHBondContact O-N 3.48Å
301	E	97	Very high	92.9	Very high	106 Å²	106	62.9 Å²	62.9	50%	0.495	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.4	172.9	-164	171.3	-176	0	0	110.2	R203	R203-E301 HydrophobicContact CB-CG 4.1Å; R203-E301 IonicContact CZ-OE1 2.87Å; R203-E301 IonicContact NE-OE1 3.01Å; R203-E301 IonicContact NH1-OE1 4Å; R203-E301 PolarHBondContact NH1-OE1 3.17Å; R203-E301 IonicContact NH2-OE1 2.78Å; R203-E301 CarbonylContact O-C 3.44Å; R203-E301 WeakPolarHBondContact O-CA 3.49Å
302	I	96.1	Very high	92.3	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.046	35%	0.354	C	S	.	.			trans	-73.2	149.3	174	70.9	-172.3	0	0	0	110	Q197 R203 R205 G304	Q197-I302 WeakPolarHBondContact O-CD1 3.41Å; R203-I302 HydrophobicContact CB-CG1 4.38Å; R203-I302 WeakPolarHBondContact O-CG1 3.46Å; R203-I302 PolarHBondContact O-N 2.74Å; R205-I302 HydrophobicContact CB-CG2 3.62Å; I302-G304 VanDerWaalsContact C-N 3.34Å
303	S	91.5	Very high	91.7	Very high	95 Å²	95	63.5 Å²	63.5	66%	0.664	38%	0.377	S	S	*	.	S	Bend	trans	-77.7	-21.3	178.6	63.7	0	0	0	0	113.4	Q197	Q197-S303 PolarHBondContact OE1-OG 2.92Å
304	G	91.8	Very high	91.2	Very high	7 Å²	7	65.6 Å²	65.6	7%	0.072	39%	0.388	C	S	.	.	S	Bend	trans	-85.2	-158.7	179.5	0	0	0	0	0	114.4	Q197 D198 R203 I302	Q197-G304 WeakPolarHBondContact O-CA 3.45Å; Q197-G304 PolarHBondContact O-N 2.75Å; Q197-G304 VanDerWaalsContact O-N 3.12Å; D198-G304 WeakPolarHBondContact OD1-CA 3.12Å; R203-G304 PolarHBondContact NH2-O 3.4Å; R203-G304 VanDerWaalsContact NH2-O 3.16Å; I302-G304 VanDerWaalsContact C-N 3.34Å
305	H	91.2	Very high	90.8	Very high	134 Å²	134	65.8 Å²	65.8	62%	0.62	39%	0.392	S	S	*	.			trans	-103.1	157.9	-173.3	-57.6	-76.4	0	0	0	112.2	D198 S199 L307	D198-H305 VanDerWaalsContact CA-O 3.32Å; D198-H305 WeakPolarHBondContact CA-O 3.25Å; D198-H305 IonicContact OD1-CD2 2.77Å; D198-H305 PolarHBondContact OD1-N 2.94Å; S199-H305 PolarHBondContact N-O 2.75Å; H305-L307 HydrophobicContact CB-CD2 4.39Å
306	Q	91.2	Very high	90.3	Very high	59 Å²	59	70 Å²	70	28%	0.276	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-87.1	119.2	168	-173.3	175.3	-8.4	0	0	110.1	S199 R203 M308	S199-Q306 CarbonylContact O-C 3.4Å; S199-Q306 WeakPolarHBondContact O-CA 3.48Å; R203-Q306 HydrophobicContact CG-CB 4.01Å; Q306-M308 HydrophobicContact CG-CG 3.97Å
307	L	87.4	Confident	89.9	Confident	65 Å²	65	67.6 Å²	67.6	34%	0.34	39%	0.387	S	S	.	.			trans	-109.1	68.6	-176.8	-59.6	-179	0	0	0	111.3	D198 S199 P200 H305 S309 L310	D198-L307 HydrophobicContact CB-CD1 3.65Å; D198-L307 HydrophobicContact CB-CG 4.04Å; S199-L307 PolarHBondContact O-N 2.87Å; P200-L307 VanDerWaalsContact CA-O 3.29Å; P200-L307 WeakPolarHBondContact CA-O 3.41Å; P200-L307 WeakPolarHBondContact CB-O 3.38Å; H305-L307 HydrophobicContact CB-CD2 4.39Å; L307-S309 PolarHBondContact O-N 2.86Å; L307-L310 HydrophobicContact CB-CD1 4.17Å; L307-L310 HydrophobicContact CB-CG 4.47Å; L307-L310 HydrophobicContact CD1-CD1 4.04Å; L307-L310 PolarHBondContact O-N 3.29Å
308	M	81.4	Confident	89.5	Confident	133 Å²	133	67.3 Å²	67.3	66%	0.655	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-55.1	-28	-171.2	-66.5	-178	68.2	0	0	114.8	Q306 L310 S311	Q306-M308 HydrophobicContact CG-CG 3.97Å; M308-L310 PolarHBondContact O-N 2.78Å; M308-L310 VanDerWaalsContact O-N 3.16Å; M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 2.81Å; M308-S311 VanDerWaalsContact O-N 3.16Å
309	S	77.9	Confident	88.8	Confident	114 Å²	114	67.4 Å²	67.4	80%	0.797	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.2	-13.6	178.7	57.7	0	0	0	0	114.3	L307	L307-S309 PolarHBondContact O-N 2.86Å
310	L	81	Confident	88.3	Confident	82 Å²	82	68.5 Å²	68.5	43%	0.429	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-103.1	11	178.8	-55	177.8	0	0	0	112.5	P200 L307 M308	P200-L310 VanDerWaalsContact CB-C 3.44Å; P200-L310 HydrophobicContact CB-CB 4.02Å; L307-L310 HydrophobicContact CB-CD1 4.17Å; L307-L310 HydrophobicContact CB-CG 4.47Å; L307-L310 HydrophobicContact CD1-CD1 4.04Å; L307-L310 PolarHBondContact O-N 3.29Å; M308-L310 PolarHBondContact O-N 2.78Å; M308-L310 VanDerWaalsContact O-N 3.16Å
311	S	85.9	Confident	87.9	Confident	40 Å²	40	67.9 Å²	67.9	28%	0.28	39%	0.386	S	S	.	.			trans	-69.8	138.9	179.6	-168.8	0	0	0	0	111.1	M308	M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 2.81Å; M308-S311 VanDerWaalsContact O-N 3.16Å
312	T	86.5	Confident	87.6	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.043	40%	0.403	C	S	.	.			trans	-96.9	1.6	-179.7	73	0	0	0	0	112.8	S168 Y201 M228 Y234 E285 D314 A315	S168-T312 WeakPolarHBondContact CB-O 3.33Å; Y201-T312 WeakPolarHBondContact OH-CG2 3.3Å; Y201-T312 PolarHBondContact OH-OG1 3.27Å; M228-T312 HydrophobicContact CE-CG2 3.25Å; M228-T312 HydrophobicContact SD-CG2 4.05Å; Y234-T312 HydrophobicContact CD1-CG2 4.1Å; Y234-T312 HydrophobicContact CE1-CG2 3.46Å; Y234-T312 VanDerWaalsContact CE1-CG2 3.46Å; E285-T312 WeakPolarHBondContact OE1-CB 3.17Å; E285-T312 WeakPolarHBondContact OE1-CG2 3.33Å; E285-T312 PolarHBondContact OE1-OG1 3.41Å; T312-D314 PolarHBondContact O-N 2.76Å; T312-A315 WeakPolarHBondContact O-CB 3.17Å; T312-A315 PolarHBondContact O-N 2.98Å
313	A	86.8	Confident	87.4	Confident	63 Å²	63	74.5 Å²	74.5	52%	0.521	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	119.9	179.4	0	0	0	0	0	111.1	D166 A315	D166-A313 WeakPolarHBondContact OD2-CA 3.14Å; A313-A315 PolarHBondContact O-N 2.91Å
314	D	87.2	Confident	87.4	Confident	92 Å²	92	70 Å²	70	49%	0.492	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	22.7	-174.3	-74	-58.3	0	0	0	114.5	D166 N167 T312 K316	D166-D314 PolarHBondContact OD2-N 2.7Å; N167-D314 PolarHBondContact N-OD1 2.87Å; T312-D314 PolarHBondContact O-N 2.76Å; D314-K316 PolarHBondContact O-N 3.4Å
315	A	88	Confident	87.3	Confident	17 Å²	17	71.4 Å²	71.4	14%	0.14	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-74.7	118.6	-173.3	0	0	0	0	0	111.2	S168 G169 M228 T312 A313	S168-A315 VanDerWaalsContact CA-O 3.28Å; S168-A315 WeakPolarHBondContact CA-O 3.35Å; G169-A315 PolarHBondContact N-O 3.01Å; M228-A315 HydrophobicContact CE-CB 3.79Å; M228-A315 HydrophobicContact CG-CB 3.61Å; M228-A315 HydrophobicContact SD-CB 3.29Å; M228-A315 WeakPolarHBondContact SD-CB 3.46Å; T312-A315 WeakPolarHBondContact O-CB 3.17Å; T312-A315 PolarHBondContact O-N 2.98Å; A313-A315 PolarHBondContact O-N 2.91Å
316	K	86.7	Confident	86.9	Confident	171 Å²	171	65.7 Å²	65.7	74%	0.743	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-74.9	137.3	-176.7	-62.8	-175.3	-179.3	-179.2	0	110.9	D314 D318	D314-K316 PolarHBondContact O-N 3.4Å; K316-D318 PolarHBondContact O-N 3.34Å
317	K	90.4	Very high	85.8	Confident	22 Å²	22	66.9 Å²	66.9	10%	0.096	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-56.5	132.3	169.9	-179.7	167.7	-175.2	165.2	0	111.4	L123 G169 S170 F225 C227 P319 C324 N325	L123-K317 VanDerWaalsContact CD2-NZ 3.34Å; G169-K317 VanDerWaalsContact O-CB 3.23Å; G169-K317 WeakPolarHBondContact O-CB 3.34Å; G169-K317 PolarHBondContact O-N 2.81Å; S170-K317 VanDerWaalsContact OG-CD 3.26Å; S170-K317 WeakPolarHBondContact OG-CD 3.27Å; S170-K317 PolarHBondContact OG-NZ 2.89Å; F225-K317 WeakPolarHBondContact O-CE 3.39Å; F225-K317 PolarHBondContact O-NZ 3.38Å; C227-K317 CarbonylContact O-C 3.57Å; C227-K317 WeakPolarHBondContact O-CA 3.29Å; K317-P319 WeakPolarHBondContact O-CD 3.49Å; K317-C324 WeakPolarHBondContact CE-O 3.26Å; K317-C324 PolarHBondContact NZ-O 2.86Å; K317-N325 VanDerWaalsContact CE-OD1 3.23Å; K317-N325 WeakPolarHBondContact CE-OD1 3.3Å
318	D	89.3	Confident	84.5	Confident	14 Å²	14	65.3 Å²	65.3	8%	0.075	37%	0.374	C	S	.	.			trans	-65	114.2	171.4	172.3	6	0	0	0	110.2	C227 Y229 K316 S320 C321 N325	C227-D318 PolarHBondContact O-N 2.92Å; Y229-D318 HydrophobicContact CD1-CB 3.86Å; Y229-D318 WeakPolarHBondContact CD1-OD1 3.2Å; Y229-D318 WeakPolarHBondContact CD1-OD2 3.43Å; Y229-D318 HydrophobicContact CD2-CB 3.99Å; Y229-D318 HydrophobicContact CE1-CB 3.94Å; Y229-D318 WeakPolarHBondContact CE1-OD1 3.43Å; Y229-D318 HydrophobicContact CE2-CB 4.05Å; Y229-D318 HydrophobicContact CG-CB 3.9Å; K316-D318 PolarHBondContact O-N 3.34Å; D318-S320 PolarHBondContact O-N 3.01Å; D318-S320 WeakPolarHBondContact OD1-CA 3.37Å; D318-S320 WeakPolarHBondContact OD1-CB 3.49Å; D318-S320 PolarHBondContact OD1-N 3.34Å; D318-S320 PolarHBondContact OD1-OG 3.38Å; D318-S320 PolarHBondContact OD2-OG 3.28Å; D318-C321 HydrophobicContact CB-CB 4.3Å; D318-C321 PolarHBondContact O-N 3.09Å; D318-N325 PolarHBondContact O-ND2 2.9Å
319	P	84	Confident	82.9	Confident	95 Å²	95	60.2 Å²	60.2	62%	0.617	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.7	-178.2	32.7	-35	0	0	0	113.5	Y229 K317 N325	Y229-P319 WeakPolarHBondContact OH-CD 3.19Å; K317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-N325 VanDerWaalsContact C-ND2 3.25Å; P319-N325 PolarHBondContact O-ND2 3.18Å
320	S	85.8	Confident	81	Confident	84 Å²	84	68.7 Å²	68.7	59%	0.587	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.7	179.7	75.7	0	0	0	0	113.5	D318 K322	D318-S320 PolarHBondContact O-N 3.01Å; D318-S320 WeakPolarHBondContact OD1-CA 3.37Å; D318-S320 WeakPolarHBondContact OD1-CB 3.49Å; D318-S320 PolarHBondContact OD1-N 3.34Å; D318-S320 PolarHBondContact OD1-OG 3.38Å; D318-S320 PolarHBondContact OD2-OG 3.28Å; S320-K322 PolarHBondContact O-N 2.97Å; S320-K322 VanDerWaalsContact O-N 3.17Å
321	C	89.8	Confident	81	Confident	17 Å²	17	68.1 Å²	68.1	12%	0.115	37%	0.367	C	S	.	.			trans	-67	114.6	-176	-179.6	0	0	0	0	111.9	C227 H233 D318 T323 N325	C227-C321 VanDerWaalsContact SG-SG 3.66Å; H233-C321 PolarHBondContact NE2-SG 3.37Å; H233-C321 VanDerWaalsContact NE2-SG 3.36Å; D318-C321 HydrophobicContact CB-CB 4.3Å; D318-C321 PolarHBondContact O-N 3.09Å; C321-T323 PolarHBondContact O-N 3.4Å; C321-T323 PolarHBondContact SG-N 2.78Å; C321-T323 VanDerWaalsContact SG-N 3.41Å; C321-N325 PolarHBondContact N-ND2 3.4Å; C321-N325 VanDerWaalsContact O-CB 3.28Å; C321-N325 WeakPolarHBondContact O-CB 3.27Å; C321-N325 PolarHBondContact O-N 3.25Å; C321-N325 PolarHBondContact O-ND2 3.46Å
322	K	89.2	Confident	80.7	Confident	194 Å²	194	69.5 Å²	69.5	84%	0.843	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16	178	-64.4	-178.6	-178.9	176.5	0	113.2	K126 S320	K126-K322 PolarHBondContact NZ-O 3.36Å; S320-K322 PolarHBondContact O-N 2.97Å; S320-K322 VanDerWaalsContact O-N 3.17Å
323	T	92	Very high	80.4	Confident	59 Å²	59	73 Å²	73	36%	0.362	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-52	-175.3	-56.2	0	0	0	0	111.3	K126 I130 F225 H233 C321	K126-T323 WeakPolarHBondContact CD-O 3.34Å; K126-T323 WeakPolarHBondContact CE-O 3.4Å; K126-T323 PolarHBondContact NZ-O 3.03Å; I130-T323 HydrophobicContact CD1-CG2 3.12Å; I130-T323 HydrophobicContact CG1-CG2 4.09Å; F225-T323 HydrophobicContact CE1-CG2 4.49Å; F225-T323 HydrophobicContact CZ-CG2 4.34Å; H233-T323 WeakPolarHBondContact NE2-CB 3.4Å; C321-T323 PolarHBondContact O-N 3.4Å; C321-T323 PolarHBondContact SG-N 2.78Å; C321-T323 VanDerWaalsContact SG-N 3.41Å
324	C	92.5	Very high	80	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-12.8	-178.6	62.1	0	0	0	0	116.1	L123 F225 K317	L123-C324 WeakPolarHBondContact CD2-O 3.31Å; F225-C324 HydrophobicContact CD1-CB 3.65Å; F225-C324 VanDerWaalsContact CE1-CA 3.49Å; F225-C324 HydrophobicContact CE1-CB 3.53Å; F225-C324 HydrophobicContact CG-CB 4.29Å; F225-C324 HydrophobicContact CZ-CB 4.06Å; K317-C324 WeakPolarHBondContact CE-O 3.26Å; K317-C324 PolarHBondContact NZ-O 2.86Å
325	N	88.3	Confident	79.5	Confident	38 Å²	38	72.4 Å²	72.4	20%	0.203	38%	0.375	C	S	.	.			trans	-83	133.9	176.3	-69.1	-57.5	0	0	0	111.8	K126 K317 D318 P319 C321	K126-N325 PolarHBondContact NZ-O 2.87Å; K317-N325 VanDerWaalsContact CE-OD1 3.23Å; K317-N325 WeakPolarHBondContact CE-OD1 3.3Å; D318-N325 PolarHBondContact O-ND2 2.9Å; P319-N325 VanDerWaalsContact C-ND2 3.25Å; P319-N325 PolarHBondContact O-ND2 3.18Å; C321-N325 PolarHBondContact N-ND2 3.4Å; C321-N325 VanDerWaalsContact O-CB 3.28Å; C321-N325 WeakPolarHBondContact O-CB 3.27Å; C321-N325 PolarHBondContact O-N 3.25Å; C321-N325 PolarHBondContact O-ND2 3.46Å
326	I	84.2	Confident	79	Confident	14 Å²	14	76.1 Å²	76.1	7%	0.072	39%	0.391	C	S	.	.			trans	-93.2	144.3	172.1	52.5	167.5	0	0	0	109.5	Y115 H119 Q122 L123 K126 V328	Y115-I326 HydrophobicContact CD1-CD1 4.47Å; Y115-I326 HydrophobicContact CE1-CD1 3.95Å; H119-I326 HydrophobicContact CB-CD1 3.79Å; Q122-I326 HydrophobicContact CB-CB 4.47Å; Q122-I326 HydrophobicContact CB-CG2 3.68Å; L123-I326 HydrophobicContact CD2-CG1 4.33Å; L123-I326 HydrophobicContact CD2-CG2 3.73Å; L123-I326 HydrophobicContact CG-CD1 4.29Å; L123-I326 HydrophobicContact CG-CG1 4.47Å; L123-I326 HydrophobicContact CG-CG2 3.97Å; K126-I326 HydrophobicContact CD-CG2 3.97Å; I326-V328 HydrophobicContact CG1-CG2 4.38Å; I326-V328 PolarHBondContact O-N 3.28Å; I326-V328 VanDerWaalsContact O-N 3.09Å
327	S	68.4	Low	78.4	Confident	83 Å²	83	69.4 Å²	69.4	58%	0.58	37%	0.366	S	S	*	.			trans	-76.4	95.2	172.3	-60.3	0	0	0	0	107.6	G329	S327-G329 PolarHBondContact O-N 3.4Å
328	V	58.2	Low	77.5	Confident	33 Å²	33	73 Å²	73	20%	0.2	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	18.1	-177	-136.7	0	0	0	0	113.4	D18 Y115 I326	D18-V328 HydrophobicContact CB-CB 4.14Å; D18-V328 HydrophobicContact CB-CG1 3.61Å; D18-V328 WeakPolarHBondContact CB-O 3.44Å; D18-V328 VanDerWaalsContact OD2-O 3.12Å; Y115-V328 HydrophobicContact CE1-CG1 4.45Å; I326-V328 HydrophobicContact CG1-CG2 4.38Å; I326-V328 PolarHBondContact O-N 3.28Å; I326-V328 VanDerWaalsContact O-N 3.09Å
329	G	48.3	Very low	76.5	Confident	26 Å²	26	77.9 Å²	77.9	27%	0.268	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	166.4	47.3	-176.6	0	0	0	0	0	116.5	G74 S327	G74-G329 CarbonylContact C-O 3.52Å; G74-G329 VanDerWaalsContact CA-O 3.26Å; G74-G329 WeakPolarHBondContact CA-O 3.37Å; S327-G329 PolarHBondContact O-N 3.4Å
330	R	37.5	Very low	75.8	Confident	292 Å²	292	76.4 Å²	76.4	100%	1.102	39%	0.394	S	S	*	.			trans	-88.5	0	163.4	-86.1	-167.1	-179.6	-168.6	0.2	111.6

Retrieved 330 of 330 residues in 1117.6 ms (Link to these results)

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