A0A077Z8A4_TRITR Loading...

26S proteasome complex subunit dss-1

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins.

AlphaFold DB , UniProt , Accession A0A077Z8A4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	76.3	Confident	167 Å²	167	102.3 Å²	102.3	82%	0.823	51%	0.51	S	S	*	.				0	-47	0	-155.5	174.3	-65.9	0	0	111.3	L3 R4 F528	M1-L3 PolarHBondContact O-N 3.23Å; M1-R4 PolarHBondContact O-N 2.87Å; M1-F528 HydrophobicContact CE-CD2 4.11Å; M1-F528 HydrophobicContact CE-CE2 3.89Å; M1-F528 HydrophobicContact SD-CD2 3.47Å; M1-F528 WeakPolarHBondContact SD-CD2 3.47Å; M1-F528 HydrophobicContact SD-CE2 3.63Å; M1-F528 HydrophobicContact SD-CG 4.46Å
2	E	62.8	Low	77.4	Confident	151 Å²	151	94.4 Å²	94.4	71%	0.706	47%	0.473	S	S	*	.	H	α-helix	trans	-35.9	-46	176.4	-56.5	180	142.9	0	0	115.3	R4 Q5 T6	E2-R4 PolarHBondContact O-N 3.44Å; E2-Q5 CarbonylContact O-C 3.58Å; E2-Q5 WeakPolarHBondContact O-CA 3.24Å; E2-Q5 PolarHBondContact O-N 3.26Å; E2-T6 PolarHBondContact O-N 2.84Å; E2-T6 PolarHBondContact O-OG1 3.41Å
3	L	70.8	Confident	78.6	Confident	138 Å²	138	95.2 Å²	95.2	72%	0.723	48%	0.479	S	S	*	.	H	α-helix	trans	-52.9	-30.9	-180	-167.1	68.9	0	0	0	114.3	M1 T6 C7	M1-L3 PolarHBondContact O-N 3.23Å; L3-T6 WeakPolarHBondContact CA-OG1 3.48Å; L3-T6 PolarHBondContact O-OG1 2.99Å; L3-C7 WeakPolarHBondContact O-CB 3.47Å; L3-C7 PolarHBondContact O-N 2.85Å; L3-C7 PolarHBondContact O-SG 2.8Å
4	R	72.6	Confident	79.7	Confident	180 Å²	180	93.9 Å²	93.9	68%	0.679	48%	0.478	S	S	*	.	H	α-helix	trans	-77.9	-39.4	173.8	-76.3	-171.1	175.7	-178.3	-0.5	112.3	M1 E2 C7 L8	M1-R4 PolarHBondContact O-N 2.87Å; E2-R4 PolarHBondContact O-N 3.44Å; R4-C7 PolarHBondContact O-N 2.59Å; R4-L8 WeakPolarHBondContact O-CG 3.49Å; R4-L8 PolarHBondContact O-N 3.3Å
5	Q	73	Confident	80.5	Confident	56 Å²	56	87.8 Å²	87.8	26%	0.262	45%	0.447	S	S	.	.	H	α-helix	trans	-67	-40.7	176.9	-73.9	173.6	-17.3	0	0	111.6	E2 L8 L9 F521	E2-Q5 CarbonylContact O-C 3.58Å; E2-Q5 WeakPolarHBondContact O-CA 3.24Å; E2-Q5 PolarHBondContact O-N 3.26Å; Q5-L8 PolarHBondContact O-N 2.92Å; Q5-L9 WeakPolarHBondContact O-CG 3.45Å; Q5-L9 PolarHBondContact O-N 3.33Å; Q5-F521 HydrophobicContact CB-CE2 4.23Å; Q5-F521 HydrophobicContact CG-CE2 4.42Å
6	T	79.1	Confident	81.3	Confident	70 Å²	70	88.6 Å²	88.6	43%	0.429	45%	0.447	S	S	.	.	H	α-helix	trans	-66.9	-37.7	175	55.5	0	0	0	0	112.1	E2 L3 L9 L10	E2-T6 PolarHBondContact O-N 2.84Å; E2-T6 PolarHBondContact O-OG1 3.41Å; L3-T6 WeakPolarHBondContact CA-OG1 3.48Å; L3-T6 PolarHBondContact O-OG1 2.99Å; T6-L9 PolarHBondContact O-N 2.87Å; T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 PolarHBondContact O-N 2.91Å
7	C	83	Confident	82.1	Confident	63 Å²	63	88.2 Å²	88.2	43%	0.426	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-42.1	171.4	-77.1	0	0	0	0	113	L3 R4 L10 I11	L3-C7 WeakPolarHBondContact O-CB 3.47Å; L3-C7 PolarHBondContact O-N 2.85Å; L3-C7 PolarHBondContact O-SG 2.8Å; R4-C7 PolarHBondContact O-N 2.59Å; C7-L10 WeakPolarHBondContact O-CB 3.49Å; C7-L10 PolarHBondContact O-N 3.06Å; C7-I11 WeakPolarHBondContact O-CG1 3.49Å; C7-I11 PolarHBondContact O-N 3.11Å
8	L	83.2	Confident	82.8	Confident	26 Å²	26	86.6 Å²	86.6	14%	0.136	44%	0.442	C	S	.	.	H	α-helix	trans	-66.5	-40.6	177.1	-70.9	171.1	0	0	0	112.3	R4 Q5 L10 I11 A12 F520 F521 Y524	R4-L8 WeakPolarHBondContact O-CG 3.49Å; R4-L8 PolarHBondContact O-N 3.3Å; Q5-L8 PolarHBondContact O-N 2.92Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 3.26Å; L8-A12 PolarHBondContact O-N 2.96Å; L8-F520 HydrophobicContact CD1-CB 4.12Å; L8-F520 HydrophobicContact CD2-CB 3.73Å; L8-F521 HydrophobicContact CB-CB 4.36Å; L8-Y524 HydrophobicContact CD1-CD2 3.62Å; L8-Y524 HydrophobicContact CD1-CE2 4.21Å; L8-Y524 HydrophobicContact CD1-CG 4.48Å
9	L	83.9	Confident	83.4	Confident	85 Å²	85	84.6 Å²	84.6	45%	0.445	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-34.6	172.4	-70.1	171.7	0	0	0	112.3	Q5 T6 A12 L13 F521	Q5-L9 WeakPolarHBondContact O-CG 3.45Å; Q5-L9 PolarHBondContact O-N 3.33Å; T6-L9 PolarHBondContact O-N 2.87Å; L9-A12 PolarHBondContact O-N 3.21Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 PolarHBondContact O-N 3.11Å; L9-F521 HydrophobicContact CD1-CD2 4.32Å; L9-F521 HydrophobicContact CD1-CE2 3.75Å; L9-F521 HydrophobicContact CD1-CZ 4.21Å; L9-F521 HydrophobicContact CD2-CD1 4.29Å; L9-F521 HydrophobicContact CD2-CD2 3.9Å; L9-F521 HydrophobicContact CD2-CE1 4.28Å; L9-F521 HydrophobicContact CD2-CE2 3.9Å; L9-F521 HydrophobicContact CD2-CG 4.11Å; L9-F521 HydrophobicContact CD2-CZ 4.09Å; L9-F521 HydrophobicContact CG-CD2 3.81Å; L9-F521 HydrophobicContact CG-CE2 3.75Å; L9-F521 HydrophobicContact CG-CG 4.47Å; L9-F521 HydrophobicContact CG-CZ 4.37Å
10	L	88.4	Confident	84	Confident	102 Å²	102	84.3 Å²	84.3	53%	0.534	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-42.2	172	-104	163	0	0	0	112.2	T6 C7 L8 L13 V14	T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 PolarHBondContact O-N 2.91Å; C7-L10 WeakPolarHBondContact O-CB 3.49Å; C7-L10 PolarHBondContact O-N 3.06Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 2.8Å; L10-V14 WeakPolarHBondContact O-CB 3.33Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.93Å
11	I	88.8	Confident	84.4	Confident	87 Å²	87	82.1 Å²	82.1	45%	0.446	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-45.1	175.7	-69.1	163.7	0	0	0	110.5	C7 L8 L13 V14 G15	C7-I11 WeakPolarHBondContact O-CG1 3.49Å; C7-I11 PolarHBondContact O-N 3.11Å; L8-I11 PolarHBondContact O-N 3.26Å; I11-L13 PolarHBondContact O-N 3.25Å; I11-V14 PolarHBondContact O-N 3.49Å; I11-G15 PolarHBondContact O-N 3.22Å
12	A	89.7	Confident	86.3	Confident	8 Å²	8	74.1 Å²	74.1	7%	0.066	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-43.9	174	0	0	0	0	0	112.2	L8 L9 G15 F16 I518	L8-A12 PolarHBondContact O-N 2.96Å; L9-A12 PolarHBondContact O-N 3.21Å; A12-G15 PolarHBondContact O-N 3.14Å; A12-F16 WeakPolarHBondContact O-CB 3.42Å; A12-F16 PolarHBondContact O-N 3.15Å; A12-I518 HydrophobicContact CB-CG1 4.09Å
13	L	92.9	Very high	87.8	Confident	105 Å²	105	69 Å²	69	55%	0.55	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-41.7	178.4	-176.5	133.2	0	0	0	112.3	L9 L10 I11 F16 V17	L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 2.8Å; I11-L13 PolarHBondContact O-N 3.25Å; L13-F16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.96Å
14	V	93.5	Very high	88.9	Confident	77 Å²	77	65.8 Å²	65.8	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-44	173.5	169.9	0	0	0	0	110.8	L10 I11 F16 V17 L18	L10-V14 WeakPolarHBondContact O-CB 3.33Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.93Å; I11-V14 PolarHBondContact O-N 3.49Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.44Å; V14-V17 PolarHBondContact O-N 3.33Å; V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 3.36Å
15	G	92.3	Very high	89.8	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-44.2	174.7	0	0	0	0	0	112.7	I11 A12 L18 L19 G510	I11-G15 PolarHBondContact O-N 3.22Å; A12-G15 PolarHBondContact O-N 3.14Å; G15-L18 PolarHBondContact O-N 2.99Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 PolarHBondContact O-N 2.98Å; G15-G510 CarbonylContact C-O 3.58Å; G15-G510 WeakPolarHBondContact CA-O 3.46Å; G15-G510 CarbonylContact O-C 3.49Å; G15-G510 WeakPolarHBondContact O-CA 3.22Å
16	F	93.6	Very high	90.6	Very high	100 Å²	100	60.5 Å²	60.5	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.9	-170.9	-114	0	0	0	112.8	A12 L13 V14 L19 I20 F514	A12-F16 WeakPolarHBondContact O-CB 3.42Å; A12-F16 PolarHBondContact O-N 3.15Å; L13-F16 PolarHBondContact O-N 3.36Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.44Å; F16-L19 PolarHBondContact O-N 3.4Å; F16-I20 HydrophobicContact CD1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CD1 3.47Å; F16-I20 VanDerWaalsContact CE1-CD1 3.47Å; F16-I20 HydrophobicContact CE2-CD1 4.43Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.79Å; F16-I20 WeakPolarHBondContact O-CG1 3.06Å; F16-I20 PolarHBondContact O-N 3.42Å; F16-F514 HydrophobicContact CB-CD2 3.86Å; F16-F514 HydrophobicContact CB-CE2 4.1Å; F16-F514 HydrophobicContact CD2-CD2 4.25Å; F16-F514 AromaticContact CD2-CE2 3.9Å; F16-F514 HydrophobicContact CD2-CE2 3.9Å; F16-F514 HydrophobicContact CD2-CZ 4.42Å; F16-F514 HydrophobicContact CG-CD2 4.48Å; F16-F514 HydrophobicContact CG-CE2 4.28Å
17	V	94.8	Very high	91.2	Very high	83 Å²	83	60.6 Å²	60.6	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-40.6	175.6	169.4	0	0	0	0	111.7	L13 V14 I20 A21	L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.96Å; V14-V17 PolarHBondContact O-N 3.33Å; V17-I20 PolarHBondContact O-N 2.95Å; V17-A21 WeakPolarHBondContact O-CB 3.4Å; V17-A21 PolarHBondContact O-N 3.48Å
18	L	95	Very high	91.5	Very high	58 Å²	58	62.3 Å²	62.3	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-41.5	175.3	-68.6	170	0	0	0	111.8	V14 G15 A21 G22 L506	V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 3.36Å; G15-L18 PolarHBondContact O-N 2.99Å; L18-A21 PolarHBondContact O-N 3.31Å; L18-G22 PolarHBondContact O-N 3.5Å; L18-L506 CarbonylContact C-O 3.55Å; L18-L506 HydrophobicContact CD2-CD2 3.67Å
19	L	93.9	Very high	91.6	Very high	49 Å²	49	61.8 Å²	61.8	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-48.5	175.3	-170.2	166.5	0	0	0	110.9	G15 F16 G22 A23 V511	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 PolarHBondContact O-N 2.98Å; F16-L19 PolarHBondContact O-N 3.4Å; L19-G22 PolarHBondContact O-N 3.08Å; L19-A23 WeakPolarHBondContact O-CB 3.04Å; L19-A23 PolarHBondContact O-N 3.35Å; L19-V511 HydrophobicContact CD1-CG2 3.6Å; L19-V511 HydrophobicContact CG-CG2 4.22Å
20	I	94.5	Very high	91.6	Very high	79 Å²	79	62 Å²	62	41%	0.405	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-46.4	174.8	-70.5	171.9	0	0	0	111	F16 V17 G22 A23 V24	F16-I20 HydrophobicContact CD1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CD1 3.47Å; F16-I20 VanDerWaalsContact CE1-CD1 3.47Å; F16-I20 HydrophobicContact CE2-CD1 4.43Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.79Å; F16-I20 WeakPolarHBondContact O-CG1 3.06Å; F16-I20 PolarHBondContact O-N 3.42Å; V17-I20 PolarHBondContact O-N 2.95Å; I20-G22 PolarHBondContact O-N 3.13Å; I20-A23 PolarHBondContact O-N 3.19Å; I20-V24 HydrophobicContact CG2-CG2 4.14Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.13Å; I20-V24 PolarHBondContact O-N 3.33Å
21	A	94.1	Very high	91.4	Very high	38 Å²	38	60.4 Å²	60.4	31%	0.314	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-44.8	-179.2	0	0	0	0	0	112.2	V17 L18 V24 I25	V17-A21 WeakPolarHBondContact O-CB 3.4Å; V17-A21 PolarHBondContact O-N 3.48Å; L18-A21 PolarHBondContact O-N 3.31Å; A21-V24 PolarHBondContact O-N 2.91Å; A21-I25 WeakPolarHBondContact O-CD1 3.25Å; A21-I25 VanDerWaalsContact O-CG1 3.29Å; A21-I25 WeakPolarHBondContact O-CG1 3.39Å; A21-I25 PolarHBondContact O-N 2.9Å
22	G	93.4	Very high	91.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-43.5	175.5	0	0	0	0	0	112.7	L18 L19 I20 V24 I25 L26	L18-G22 PolarHBondContact O-N 3.5Å; L19-G22 PolarHBondContact O-N 3.08Å; I20-G22 PolarHBondContact O-N 3.13Å; G22-V24 PolarHBondContact O-N 3.1Å; G22-I25 PolarHBondContact O-N 3.3Å; G22-L26 WeakPolarHBondContact O-CG 3.5Å; G22-L26 PolarHBondContact O-N 3.41Å
23	A	93.7	Very high	90.6	Very high	42 Å²	42	62.8 Å²	62.8	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-41.5	175.6	0	0	0	0	0	112.5	L19 I20 L26 A27	L19-A23 WeakPolarHBondContact O-CB 3.04Å; L19-A23 PolarHBondContact O-N 3.35Å; I20-A23 PolarHBondContact O-N 3.19Å; A23-L26 PolarHBondContact O-N 3.07Å; A23-A27 VanDerWaalsContact O-CB 3.29Å; A23-A27 WeakPolarHBondContact O-CB 3.36Å; A23-A27 PolarHBondContact O-N 3.1Å
24	V	94.1	Very high	89.9	Confident	72 Å²	72	63.6 Å²	63.6	44%	0.436	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-41	176.2	168	0	0	0	0	111.5	I20 A21 G22 A27 I28	I20-V24 HydrophobicContact CG2-CG2 4.14Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.13Å; I20-V24 PolarHBondContact O-N 3.33Å; A21-V24 PolarHBondContact O-N 2.91Å; G22-V24 PolarHBondContact O-N 3.1Å; V24-A27 PolarHBondContact O-N 2.56Å; V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CB 3.48Å; V24-I28 WeakPolarHBondContact O-CG1 3.24Å; V24-I28 PolarHBondContact O-N 3.02Å
25	I	91.2	Very high	89.1	Confident	64 Å²	64	63.7 Å²	63.7	33%	0.328	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-47.7	174.7	-73.8	163.3	0	0	0	110.7	A21 G22 I28 L29 A499 L506	A21-I25 WeakPolarHBondContact O-CD1 3.25Å; A21-I25 VanDerWaalsContact O-CG1 3.29Å; A21-I25 WeakPolarHBondContact O-CG1 3.39Å; A21-I25 PolarHBondContact O-N 2.9Å; G22-I25 PolarHBondContact O-N 3.3Å; I25-I28 PolarHBondContact O-N 3.06Å; I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.25Å; I25-A499 HydrophobicContact CG2-CB 4.5Å; I25-L506 HydrophobicContact CD1-CD1 3.58Å
26	L	90.5	Very high	88.1	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.314	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-36.2	178.6	-64.4	-176.9	0	0	0	112.7	G22 A23 P30 I507	G22-L26 WeakPolarHBondContact O-CG 3.5Å; G22-L26 PolarHBondContact O-N 3.41Å; A23-L26 PolarHBondContact O-N 3.07Å; L26-P30 WeakPolarHBondContact O-CD 3.41Å; L26-I507 HydrophobicContact CD1-CD1 3.63Å
27	A	91	Very high	87.1	Confident	73 Å²	73	62.2 Å²	62.2	60%	0.603	36%	0.363	S	S	*	.	H	α-helix	trans	-71	-34.6	177.8	0	0	0	0	0	113.2	A23 V24	A23-A27 VanDerWaalsContact O-CB 3.29Å; A23-A27 WeakPolarHBondContact O-CB 3.36Å; A23-A27 PolarHBondContact O-N 3.1Å; V24-A27 PolarHBondContact O-N 2.56Å
28	I	89	Confident	85.9	Confident	99 Å²	99	59.1 Å²	59.1	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-79.9	-25.4	176.6	-67.7	174.7	0	0	0	111.5	V24 I25 S31 F32	V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CB 3.48Å; V24-I28 WeakPolarHBondContact O-CG1 3.24Å; V24-I28 PolarHBondContact O-N 3.02Å; I25-I28 PolarHBondContact O-N 3.06Å; I28-S31 WeakPolarHBondContact O-CA 3.39Å; I28-S31 WeakPolarHBondContact O-CB 3.19Å; I28-S31 PolarHBondContact O-N 2.76Å; I28-F32 HydrophobicContact CG2-CB 4.43Å; I28-F32 PolarHBondContact O-N 3.38Å
29	L	86.1	Confident	84.2	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-52.2	-45.5	-173	-178.3	60.1	0	0	0	114.8	I25 S31 F32 V33 A499 K500	I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.25Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.48Å; L29-F32 HydrophobicContact CD1-CD1 4.45Å; L29-F32 PolarHBondContact O-N 3.19Å; L29-V33 HydrophobicContact CD1-CG2 3.78Å; L29-V33 HydrophobicContact CG-CG2 4.2Å; L29-V33 WeakPolarHBondContact O-CB 3.37Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.86Å; L29-A499 HydrophobicContact CD1-CB 3.51Å; L29-A499 HydrophobicContact CD2-CB 3.85Å; L29-A499 HydrophobicContact CG-CB 4.26Å; L29-K500 HydrophobicContact CD2-CG 3.68Å
30	P	83.6	Confident	82.2	Confident	89 Å²	89	62.1 Å²	62.1	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-59.3	-40	177.1	-24.3	35	0	0	0	112.7	L26 R34	L26-P30 WeakPolarHBondContact O-CD 3.41Å; P30-R34 VanDerWaalsContact O-CB 3.29Å; P30-R34 WeakPolarHBondContact O-CB 3.33Å; P30-R34 PolarHBondContact O-N 3.29Å
31	S	83.3	Confident	79.7	Confident	69 Å²	69	64.7 Å²	64.7	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-70.5	-39.2	176.4	-60	0	0	0	0	112.2	I28 L29 R34 N35	I28-S31 WeakPolarHBondContact O-CA 3.39Å; I28-S31 WeakPolarHBondContact O-CB 3.19Å; I28-S31 PolarHBondContact O-N 2.76Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.48Å; S31-R34 PolarHBondContact O-N 2.9Å; S31-N35 WeakPolarHBondContact O-CB 3.41Å; S31-N35 PolarHBondContact O-N 2.93Å; S31-N35 PolarHBondContact O-OD1 2.99Å
32	F	82	Confident	77.2	Confident	128 Å²	128	70.9 Å²	70.9	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-64.2	-43.3	174.4	179	-96.7	0	0	0	111.8	I28 L29 N35 G36	I28-F32 HydrophobicContact CG2-CB 4.43Å; I28-F32 PolarHBondContact O-N 3.38Å; L29-F32 HydrophobicContact CD1-CD1 4.45Å; L29-F32 PolarHBondContact O-N 3.19Å; F32-N35 PolarHBondContact O-N 3.34Å; F32-G36 PolarHBondContact O-N 3.33Å
33	V	80	Confident	74.7	Confident	18 Å²	18	78.2 Å²	78.2	11%	0.109	43%	0.431	C	S	.	.	H	α-helix	trans	-62.3	-49.9	174.5	169.7	0	0	0	0	110.5	L29 N35 G36 V37 V435 L492 Q496	L29-V33 HydrophobicContact CD1-CG2 3.78Å; L29-V33 HydrophobicContact CG-CG2 4.2Å; L29-V33 WeakPolarHBondContact O-CB 3.37Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.86Å; V33-N35 VanDerWaalsContact C-N 3.28Å; V33-N35 PolarHBondContact O-N 2.9Å; V33-G36 PolarHBondContact O-N 3.11Å; V33-V37 HydrophobicContact CG1-CG2 4.46Å; V33-V37 WeakPolarHBondContact O-CG2 3.24Å; V33-V37 PolarHBondContact O-N 2.89Å; V33-V435 HydrophobicContact CG1-CG1 3.73Å; V33-L492 HydrophobicContact CG1-CD1 3.99Å; V33-Q496 HydrophobicContact CG2-CG 3.43Å; V33-Q496 VanDerWaalsContact CG2-CG 3.43Å
34	R	78.3	Confident	72.5	Confident	122 Å²	122	86.2 Å²	86.2	46%	0.46	46%	0.459	S	S	.	.	H	α-helix	trans	-53.8	-46.9	177.1	-175.2	-178.6	-177.6	-158.7	-1.1	111.4	P30 S31 V37 L38 Y245 F306	P30-R34 VanDerWaalsContact O-CB 3.29Å; P30-R34 WeakPolarHBondContact O-CB 3.33Å; P30-R34 PolarHBondContact O-N 3.29Å; S31-R34 PolarHBondContact O-N 2.9Å; R34-V37 PolarHBondContact O-N 3.08Å; R34-L38 HydrophobicContact CG-CD1 4.08Å; R34-L38 WeakPolarHBondContact O-CD1 3.11Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 2.91Å; R34-L38 VanDerWaalsContact O-N 3.12Å; R34-Y245 PolarHBondContact NH2-OH 3.46Å; R34-F306 HydrophobicContact CB-CE1 4.13Å; R34-F306 HydrophobicContact CB-CZ 4.34Å; R34-F306 HydrophobicContact CG-CD1 4.32Å; R34-F306 HydrophobicContact CG-CE1 3.72Å; R34-F306 HydrophobicContact CG-CE2 4.06Å; R34-F306 HydrophobicContact CG-CZ 3.58Å
35	N	75.8	Confident	69.7	Low	79 Å²	79	88.9 Å²	88.9	42%	0.422	47%	0.47	S	S	.	.	H	α-helix	trans	-68.7	-43	178.4	-67.4	-1.3	0	0	0	111.8	S31 F32 V33 V37 L38 E39	S31-N35 WeakPolarHBondContact O-CB 3.41Å; S31-N35 PolarHBondContact O-N 2.93Å; S31-N35 PolarHBondContact O-OD1 2.99Å; F32-N35 PolarHBondContact O-N 3.34Å; V33-N35 VanDerWaalsContact C-N 3.28Å; V33-N35 PolarHBondContact O-N 2.9Å; N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 3.45Å; N35-L38 CarbonylContact O-C 3.43Å; N35-L38 PolarHBondContact O-N 2.98Å; N35-L38 VanDerWaalsContact O-N 3.08Å; N35-E39 VanDerWaalsContact O-CB 3.29Å; N35-E39 WeakPolarHBondContact O-CB 3.41Å; N35-E39 WeakPolarHBondContact O-CG 3.27Å; N35-E39 PolarHBondContact O-N 2.97Å
36	G	72.5	Confident	67.4	Low	46 Å²	46	93.4 Å²	93.4	47%	0.474	49%	0.494	S	S	.	.	H	α-helix	trans	-68.5	-19.4	177.6	0	0	0	0	0	114.9	F32 V33	F32-G36 PolarHBondContact O-N 3.33Å; V33-G36 PolarHBondContact O-N 3.11Å
37	V	72.8	Confident	65.2	Low	24 Å²	24	101.5 Å²	101.5	15%	0.145	52%	0.522	C	S	.	.	H	α-helix	trans	-79.4	-39.6	167.9	174.1	0	0	0	0	110.5	V33 R34 N35 A52 I53 F306 V435 L492	V33-V37 HydrophobicContact CG1-CG2 4.46Å; V33-V37 WeakPolarHBondContact O-CG2 3.24Å; V33-V37 PolarHBondContact O-N 2.89Å; R34-V37 PolarHBondContact O-N 3.08Å; N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 3.45Å; V37-A52 WeakPolarHBondContact O-CB 3.45Å; V37-I53 HydrophobicContact CG1-CD1 3.78Å; V37-I53 HydrophobicContact CG1-CG1 4.17Å; V37-I53 WeakPolarHBondContact O-CG1 3.4Å; V37-F306 HydrophobicContact CB-CE1 4.44Å; V37-F306 HydrophobicContact CB-CZ 4.32Å; V37-F306 HydrophobicContact CG1-CE1 4.39Å; V37-F306 HydrophobicContact CG1-CZ 4.19Å; V37-V435 HydrophobicContact CG2-CG1 4.01Å; V37-L492 HydrophobicContact CG2-CD1 3.54Å
38	L	68.9	Low	63	Low	19 Å²	19	104.9 Å²	104.9	10%	0.099	52%	0.524	C	S	.	.	H	α-helix	trans	-71.6	-33.3	176.4	-75.3	162.6	0	0	0	114.3	R34 N35 R50 A52 I53 Y245 F306	R34-L38 HydrophobicContact CG-CD1 4.08Å; R34-L38 WeakPolarHBondContact O-CD1 3.11Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 2.91Å; R34-L38 VanDerWaalsContact O-N 3.12Å; N35-L38 CarbonylContact O-C 3.43Å; N35-L38 PolarHBondContact O-N 2.98Å; N35-L38 VanDerWaalsContact O-N 3.08Å; L38-R50 CarbonylContact O-C 3.59Å; L38-A52 PolarHBondContact O-N 3.42Å; L38-I53 HydrophobicContact CB-CD1 4.48Å; L38-I53 HydrophobicContact CD2-CD1 3.52Å; L38-I53 HydrophobicContact CD2-CG1 4.44Å; L38-I53 HydrophobicContact CG-CD1 3.93Å; L38-Y245 HydrophobicContact CD2-CD1 3.58Å; L38-Y245 HydrophobicContact CD2-CD2 3.69Å; L38-Y245 HydrophobicContact CD2-CE1 3.77Å; L38-Y245 HydrophobicContact CD2-CE2 3.86Å; L38-Y245 HydrophobicContact CD2-CG 3.54Å; L38-F306 HydrophobicContact CD1-CE2 4.22Å; L38-F306 HydrophobicContact CD1-CZ 4.28Å; L38-F306 HydrophobicContact CD2-CE2 4.36Å; L38-F306 HydrophobicContact CG-CE2 4.17Å; L38-F306 HydrophobicContact CG-CZ 4.11Å
39	E	60.3	Low	61	Low	92 Å²	92	103.3 Å²	103.3	43%	0.43	52%	0.52	S	S	.	.			trans	-121.9	124.2	-167.7	-53.4	-170.8	158.7	0	0	111.7	N35 P49	N35-E39 VanDerWaalsContact O-CB 3.29Å; N35-E39 WeakPolarHBondContact O-CB 3.41Å; N35-E39 WeakPolarHBondContact O-CG 3.27Å; N35-E39 PolarHBondContact O-N 2.97Å; E39-P49 WeakPolarHBondContact CA-O 3.49Å; E39-P49 HydrophobicContact CG-CB 3.76Å; E39-P49 WeakPolarHBondContact OE1-CB 3.34Å
40	Q	50.4	Low	59.2	Low	77 Å²	77	110 Å²	110	36%	0.36	54%	0.544	S	S	.	.			trans	-116.9	124.3	167	-90.3	-170.6	20.7	0	0	109.3	R42 A52	Q40-R42 PolarHBondContact O-N 3.35Å; Q40-A52 HydrophobicContact CB-CB 3.85Å; Q40-A52 HydrophobicContact CG-CB 3.73Å
41	P	43.2	Very low	57.8	Low	134 Å²	134	110 Å²	110	87%	0.87	54%	0.536	S	S	*	.			trans	-73.6	97.9	177.4	29.6	-33.7	0	0	0	110.4
42	R	41.1	Very low	56.7	Low	168 Å²	168	107.5 Å²	107.5	63%	0.634	52%	0.52	S	S	*	.			trans	-110.7	102.9	161.9	-97.4	-172.2	168.1	177.1	-2.5	110.1	Q40 G58	Q40-R42 PolarHBondContact O-N 3.35Å; R42-G58 PolarHBondContact NH1-O 3.27Å
43	N	40	Very low	56	Low	154 Å²	154	101.7 Å²	101.7	82%	0.824	49%	0.494	S	S	*	.			trans	66.5	144.9	176.2	-60.7	-16.3	0	0	0	116.2	N45	N43-N45 PolarHBondContact O-N 2.92Å
44	F	48.9	Very low	55.8	Low	209 Å²	209	100.9 Å²	100.9	92%	0.917	49%	0.49	S	S	*	.	S	Bend	trans	-73.7	7.3	-171	-167.9	-105.1	0	0	0	114.6
45	N	35.1	Very low	55.9	Low	128 Å²	128	95.1 Å²	95.1	68%	0.684	47%	0.468	S	S	*	.	S	Bend	trans	-129.5	135.9	-172.5	-70.7	-44.6	0	0	0	111.3	N43	N43-N45 PolarHBondContact O-N 2.92Å
46	L	43.4	Very low	56	Low	159 Å²	159	91.9 Å²	91.9	83%	0.832	45%	0.451	S	S	*	.	S	Bend	trans	73.7	71.3	176.4	-64.7	121.9	0	0	0	118.5	K48	L46-K48 VanDerWaalsContact C-N 3.29Å; L46-K48 PolarHBondContact O-N 3.32Å
47	Y	42.5	Very low	56.1	Low	230 Å²	230	95.6 Å²	95.6	90%	0.902	46%	0.46	S	S	*	.				50.7	18.4	116.8	-116.8	-78.8	0	0	0	121.3
48	K	44.7	Very low	56.2	Low	145 Å²	145	96.3 Å²	96.3	63%	0.63	47%	0.473	S	S	*	.			trans	-129.5	76.9	173.7	-75.3	-164.4	174.7	-174.2	0	112.8	L46 R50 Q51	L46-K48 VanDerWaalsContact C-N 3.29Å; L46-K48 PolarHBondContact O-N 3.32Å; K48-R50 VanDerWaalsContact C-N 3.34Å; K48-R50 PolarHBondContact O-N 3.29Å; K48-Q51 HydrophobicContact CB-CG 4.42Å
49	P	47	Very low	56.6	Low	66 Å²	66	96.1 Å²	96.1	43%	0.429	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-55.8	-39.8	179.7	14	-27.3	0	0	0	115.1	E39 Q51	E39-P49 WeakPolarHBondContact CA-O 3.49Å; E39-P49 HydrophobicContact CG-CB 3.76Å; E39-P49 WeakPolarHBondContact OE1-CB 3.34Å; P49-Q51 PolarHBondContact O-N 2.91Å
50	R	49.5	Very low	57.3	Low	154 Å²	154	96.4 Å²	96.4	58%	0.581	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-68.1	11.1	-165.4	-56.7	-178.4	-179	176.5	-2	117.2	L38 K48	L38-R50 CarbonylContact O-C 3.59Å; K48-R50 VanDerWaalsContact C-N 3.34Å; K48-R50 PolarHBondContact O-N 3.29Å
51	Q	54.4	Low	58.6	Low	89 Å²	89	94 Å²	94	42%	0.416	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-79.5	-19.3	-166.5	-73.1	-171.9	-9	0	0	115.5	K48 P49 I53 S54	K48-Q51 HydrophobicContact CB-CG 4.42Å; P49-Q51 PolarHBondContact O-N 2.91Å; Q51-I53 PolarHBondContact O-N 2.92Å; Q51-S54 WeakPolarHBondContact CA-OG 3.45Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 3.14Å
52	A	59	Low	60.5	Low	16 Å²	16	88.4 Å²	88.4	13%	0.132	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-44.2	-168	0	0	0	0	0	114.4	V37 L38 Q40 A61	V37-A52 WeakPolarHBondContact O-CB 3.45Å; L38-A52 PolarHBondContact O-N 3.42Å; Q40-A52 HydrophobicContact CB-CB 3.85Å; Q40-A52 HydrophobicContact CG-CB 3.73Å; A52-A61 WeakPolarHBondContact O-CB 3.49Å
53	I	69	Low	62.5	Low	6 Å²	6	84.1 Å²	84.1	3%	0.031	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.9	180	-52.6	-171.9	0	0	0	110.7	V37 L38 Q51 R248 P305	V37-I53 HydrophobicContact CG1-CD1 3.78Å; V37-I53 HydrophobicContact CG1-CG1 4.17Å; V37-I53 WeakPolarHBondContact O-CG1 3.4Å; L38-I53 HydrophobicContact CB-CD1 4.48Å; L38-I53 HydrophobicContact CD2-CD1 3.52Å; L38-I53 HydrophobicContact CD2-CG1 4.44Å; L38-I53 HydrophobicContact CG-CD1 3.93Å; Q51-I53 PolarHBondContact O-N 2.92Å; I53-R248 WeakPolarHBondContact O-CD 3.38Å; I53-R248 PolarHBondContact O-NH1 3.05Å; I53-P305 HydrophobicContact CD1-CB 4.12Å; I53-P305 HydrophobicContact CD1-CG 3.88Å; I53-P305 HydrophobicContact CG2-CG 4.32Å
54	S	75.4	Confident	64.6	Low	1 Å²	1	79 Å²	79	1%	0.007	40%	0.399	C	S	.	.	S	Bend	trans	-73.1	142	-170.1	76.2	0	0	0	0	113.5	Q51 S56 S59	Q51-S54 WeakPolarHBondContact CA-OG 3.45Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 3.14Å; S54-S56 PolarHBondContact O-N 3.03Å; S54-S56 PolarHBondContact OG-OG 3.46Å; S54-S59 PolarHBondContact O-OG 2.89Å
55	L	80.4	Confident	66.4	Low	2 Å²	2	69.6 Å²	69.6	1%	0.01	36%	0.358	C	S	.	.			trans	-77.9	65.6	168.8	-57.6	176.2	0	0	0	109.3	W65 Y115 I121 I238 S240 V302	L55-W65 HydrophobicContact CD1-CD2 3.85Å; L55-W65 HydrophobicContact CD1-CE3 4.46Å; L55-W65 HydrophobicContact CD1-CG 4.09Å; L55-W65 HydrophobicContact CD1-CZ2 4.11Å; L55-W65 HydrophobicContact CD2-CB 3.58Å; L55-W65 HydrophobicContact CD2-CD2 3.91Å; L55-W65 HydrophobicContact CD2-CE3 4.38Å; L55-W65 HydrophobicContact CD2-CG 3.59Å; L55-W65 HydrophobicContact CG-CD2 4.47Å; L55-W65 HydrophobicContact CG-CG 4.5Å; L55-Y115 WeakPolarHBondContact O-CE1 3.34Å; L55-I121 HydrophobicContact CB-CD1 3.43Å; L55-I121 VanDerWaalsContact CB-CD1 3.43Å; L55-I121 HydrophobicContact CD1-CD1 4.12Å; L55-I121 HydrophobicContact CG-CD1 4.44Å; L55-I121 VanDerWaalsContact O-CD1 3.3Å; L55-I121 WeakPolarHBondContact O-CD1 3.47Å; L55-I238 HydrophobicContact CD1-CD1 3.8Å; L55-S240 WeakPolarHBondContact CB-O 3.26Å; L55-S240 PolarHBondContact N-O 2.77Å; L55-V302 HydrophobicContact CD1-CG2 4.45Å
56	S	76.5	Confident	69	Low	10 Å²	10	67.5 Å²	67.5	7%	0.07	34%	0.344	C	S	.	.			trans	-95.8	137.8	170.4	56.3	0	0	0	0	110	S54 G58 S59 E62	S54-S56 PolarHBondContact O-N 3.03Å; S54-S56 PolarHBondContact OG-OG 3.46Å; S56-G58 PolarHBondContact O-N 2.84Å; S56-S59 WeakPolarHBondContact O-CB 3.17Å; S56-S59 PolarHBondContact O-N 2.83Å; S56-E62 WeakPolarHBondContact O-CB 3.23Å
57	N	76.7	Confident	71.2	Confident	124 Å²	124	67.5 Å²	67.5	66%	0.663	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.1	120.1	179.7	-175.3	-26.4	0	0	0	112.5	Y115	N57-Y115 HydrophobicContact CB-CD2 4.12Å; N57-Y115 HydrophobicContact CB-CE1 4.38Å; N57-Y115 HydrophobicContact CB-CE2 3.77Å
58	G	74.6	Confident	73.5	Confident	39 Å²	39	57.7 Å²	57.7	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	10.6	-178.5	0	0	0	0	0	116.2	R42 S56 E62	R42-G58 PolarHBondContact NH1-O 3.27Å; S56-G58 PolarHBondContact O-N 2.84Å; G58-E62 VanDerWaalsContact N-CD 3.35Å; G58-E62 PolarHBondContact N-OE1 3.3Å; G58-E62 PolarHBondContact N-OE2 2.96Å
59	S	75.7	Confident	75.6	Confident	15 Å²	15	52.1 Å²	52.1	11%	0.105	28%	0.281	C	S	.	.			trans	-75.8	153.1	167.3	101.1	0	0	0	0	110.5	S54 S56 A61 E62 T63	S54-S59 PolarHBondContact O-OG 2.89Å; S56-S59 WeakPolarHBondContact O-CB 3.17Å; S56-S59 PolarHBondContact O-N 2.83Å; S59-A61 PolarHBondContact O-N 3.45Å; S59-A61 PolarHBondContact OG-N 2.88Å; S59-E62 WeakPolarHBondContact O-CB 3.25Å; S59-E62 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact OG-N 3.28Å; S59-E62 VanDerWaalsContact OG-N 3.07Å; S59-T63 PolarHBondContact O-N 3.39Å; S59-T63 PolarHBondContact O-OG1 2.88Å
60	K	75.2	Confident	77.8	Confident	98 Å²	98	50.9 Å²	50.9	43%	0.426	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-29.9	176.6	-71.8	-164	174.9	-173.6	0	112.9	A64	K60-A64 WeakPolarHBondContact O-CB 3.37Å; K60-A64 PolarHBondContact O-N 3.2Å; K60-A64 VanDerWaalsContact O-N 3.16Å
61	A	79.2	Confident	79.9	Confident	26 Å²	26	47.9 Å²	47.9	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-36.6	175.2	0	0	0	0	0	111.2	A52 S59 W65	A52-A61 WeakPolarHBondContact O-CB 3.49Å; S59-A61 PolarHBondContact O-N 3.45Å; S59-A61 PolarHBondContact OG-N 2.88Å; A61-W65 WeakPolarHBondContact O-CB 3.39Å; A61-W65 PolarHBondContact O-N 3.31Å
62	E	82.3	Confident	81.9	Confident	18 Å²	18	44.4 Å²	44.4	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-47.3	175.2	177.3	-101.1	-158.3	0	0	112.3	S56 G58 S59 A64 W65 E66 Y115	S56-E62 WeakPolarHBondContact O-CB 3.23Å; G58-E62 VanDerWaalsContact N-CD 3.35Å; G58-E62 PolarHBondContact N-OE1 3.3Å; G58-E62 PolarHBondContact N-OE2 2.96Å; S59-E62 WeakPolarHBondContact O-CB 3.25Å; S59-E62 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact OG-N 3.28Å; S59-E62 VanDerWaalsContact OG-N 3.07Å; E62-A64 VanDerWaalsContact C-N 3.35Å; E62-A64 PolarHBondContact O-N 2.85Å; E62-W65 WeakPolarHBondContact O-CB 3.46Å; E62-W65 PolarHBondContact O-N 2.7Å; E62-E66 PolarHBondContact O-N 3.02Å; E62-Y115 WeakPolarHBondContact CG-OH 3.49Å; E62-Y115 PolarHBondContact OE1-OH 3.26Å
63	T	83.7	Confident	83.7	Confident	78 Å²	78	44.1 Å²	44.1	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-39.7	176.9	-48.9	0	0	0	0	112.3	S59 W65 K67	S59-T63 PolarHBondContact O-N 3.39Å; S59-T63 PolarHBondContact O-OG1 2.88Å; T63-W65 VanDerWaalsContact C-N 3.27Å; T63-W65 PolarHBondContact O-N 3.07Å; T63-K67 PolarHBondContact O-N 3.42Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64	A	83.8	Confident	85	Confident	45 Å²	45	43.9 Å²	43.9	37%	0.372	24%	0.243	S	C	.	.	H	α-helix	trans	-72.2	-18.5	175	0	0	0	0	0	113.5	K60 E62 K67 P68 P69	K60-A64 WeakPolarHBondContact O-CB 3.37Å; K60-A64 PolarHBondContact O-N 3.2Å; K60-A64 VanDerWaalsContact O-N 3.16Å; E62-A64 VanDerWaalsContact C-N 3.35Å; E62-A64 PolarHBondContact O-N 2.85Å; A64-K67 CarbonylContact O-C 3.52Å; A64-P68 WeakPolarHBondContact O-CA 3.07Å; A64-P69 HydrophobicContact CB-CG 4.49Å; A64-P69 VanDerWaalsContact O-CD 3.23Å; A64-P69 WeakPolarHBondContact O-CD 3.34Å
65	W	87.3	Confident	86.1	Confident	13 Å²	13	46.1 Å²	46.1	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-87.9	-36.9	175.2	171.7	83.2	0	0	0	111.9	L55 A61 E62 T63 K110 V113 I121 Y123 I238 T301 V302	L55-W65 HydrophobicContact CD1-CD2 3.85Å; L55-W65 HydrophobicContact CD1-CE3 4.46Å; L55-W65 HydrophobicContact CD1-CG 4.09Å; L55-W65 HydrophobicContact CD1-CZ2 4.11Å; L55-W65 HydrophobicContact CD2-CB 3.58Å; L55-W65 HydrophobicContact CD2-CD2 3.91Å; L55-W65 HydrophobicContact CD2-CE3 4.38Å; L55-W65 HydrophobicContact CD2-CG 3.59Å; L55-W65 HydrophobicContact CG-CD2 4.47Å; L55-W65 HydrophobicContact CG-CG 4.5Å; A61-W65 WeakPolarHBondContact O-CB 3.39Å; A61-W65 PolarHBondContact O-N 3.31Å; E62-W65 WeakPolarHBondContact O-CB 3.46Å; E62-W65 PolarHBondContact O-N 2.7Å; T63-W65 VanDerWaalsContact C-N 3.27Å; T63-W65 PolarHBondContact O-N 3.07Å; W65-K110 HydrophobicContact CD2-CD 3.52Å; W65-K110 VanDerWaalsContact CE2-NZ 3.25Å; W65-K110 HydrophobicContact CE3-CD 3.73Å; W65-K110 HydrophobicContact CG-CD 4.16Å; W65-K110 HydrophobicContact CH2-CD 3.7Å; W65-K110 HydrophobicContact CZ2-CD 3.49Å; W65-K110 VanDerWaalsContact CZ2-CD 3.49Å; W65-K110 HydrophobicContact CZ3-CD 3.81Å; W65-K110 VanDerWaalsContact NE1-CE 3.34Å; W65-K110 VanDerWaalsContact O-CD 3.25Å; W65-K110 WeakPolarHBondContact O-CD 3.32Å; W65-K110 WeakPolarHBondContact O-CE 3.27Å; W65-V113 HydrophobicContact CZ3-CG1 4Å; W65-V113 HydrophobicContact CZ3-CG2 4.32Å; W65-I121 HydrophobicContact CH2-CG2 3.97Å; W65-I121 HydrophobicContact CZ3-CG2 4.37Å; W65-Y123 AromaticContact CH2-CD1 3.53Å; W65-Y123 HydrophobicContact CH2-CD1 3.53Å; W65-Y123 HydrophobicContact CH2-CE1 4.08Å; W65-Y123 AromaticContact CH2-CG 3.83Å; W65-Y123 HydrophobicContact CH2-CG 3.83Å; W65-Y123 AromaticContact CZ2-CD1 3.5Å; W65-Y123 HydrophobicContact CZ2-CD1 3.5Å; W65-Y123 VanDerWaalsContact CZ2-CD1 3.5Å; W65-Y123 AromaticContact CZ2-CE1 3.53Å; W65-Y123 HydrophobicContact CZ2-CE1 3.53Å; W65-Y123 HydrophobicContact CZ2-CG 4.08Å; W65-I238 HydrophobicContact CH2-CD1 4.41Å; W65-I238 HydrophobicContact CZ2-CD1 3.51Å; W65-I238 HydrophobicContact CZ2-CG1 4.33Å; W65-T301 PolarHBondContact NE1-OG1 2.83Å; W65-V302 HydrophobicContact CG-CG2 4.3Å
66	E	89	Confident	87	Confident	83 Å²	83	46.1 Å²	46.1	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-41.9	173.6	-169.5	-170.5	-148.5	0	0	111.5	E62 P68 R109 K110 V113	E62-E66 PolarHBondContact O-N 3.02Å; E66-P68 WeakPolarHBondContact O-CD 3.08Å; E66-R109 CarbonylContact O-C 3.57Å; E66-R109 WeakPolarHBondContact O-CA 2.89Å; E66-K110 HydrophobicContact CG-CB 4.24Å; E66-K110 PolarHBondContact O-N 3.05Å; E66-V113 HydrophobicContact CG-CG2 4.37Å
67	K	90.3	Very high	88	Confident	160 Å²	160	47.1 Å²	47.1	70%	0.696	26%	0.256	S	S	*	.	S	Bend	trans	-118.5	88.7	172.7	-170.4	-171.3	175.9	-167.5	0	110.2	T63 A64	T63-K67 PolarHBondContact O-N 3.42Å; T63-K67 VanDerWaalsContact O-N 3.1Å; A64-K67 CarbonylContact O-C 3.52Å
68	P	89.5	Confident	89.1	Confident	23 Å²	23	41.2 Å²	41.2	15%	0.149	22%	0.224	C	C	.	.			trans	-53.1	124.1	-178.1	-28.3	36.2	0	0	0	112.7	A64 E66 Y70 M72 Q108	A64-P68 WeakPolarHBondContact O-CA 3.07Å; E66-P68 WeakPolarHBondContact O-CD 3.08Å; P68-Y70 HydrophobicContact CB-CD2 3.75Å; P68-Y70 HydrophobicContact CB-CE2 4.31Å; P68-Y70 PolarHBondContact O-N 3.49Å; P68-M72 HydrophobicContact CB-CE 4.45Å; P68-Q108 HydrophobicContact CG-CG 4.37Å
69	P	89.6	Confident	90.2	Very high	29 Å²	29	39.5 Å²	39.5	19%	0.188	21%	0.205	C	C	.	.			trans	-84.4	51	-176.4	37	-39.7	0	0	0	112	A64 L480 N481 A484	A64-P69 HydrophobicContact CB-CG 4.49Å; A64-P69 VanDerWaalsContact O-CD 3.23Å; A64-P69 WeakPolarHBondContact O-CD 3.34Å; P69-L480 HydrophobicContact CG-CD1 4.15Å; P69-N481 WeakPolarHBondContact O-CB 3.4Å; P69-N481 VanDerWaalsContact O-CG 3.26Å; P69-N481 PolarHBondContact O-N 3.2Å; P69-A484 HydrophobicContact CB-CB 3.64Å; P69-A484 HydrophobicContact CG-CB 3.85Å
70	Y	92.6	Very high	91.3	Very high	40 Å²	40	40.5 Å²	40.5	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.5	-176.2	-61.4	-94.9	0	0	0	111	P68 M72 L438 G439 F442 A478 F479 L480	P68-Y70 HydrophobicContact CB-CD2 3.75Å; P68-Y70 HydrophobicContact CB-CE2 4.31Å; P68-Y70 PolarHBondContact O-N 3.49Å; Y70-M72 WeakPolarHBondContact O-CE 3.4Å; Y70-M72 PolarHBondContact O-N 2.88Å; Y70-L438 WeakPolarHBondContact OH-CD1 3.48Å; Y70-G439 WeakPolarHBondContact CE1-O 3.19Å; Y70-G439 PolarHBondContact OH-O 3.4Å; Y70-F442 HydrophobicContact CE1-CD2 4.32Å; Y70-F442 AromaticContact CE1-CE2 3.82Å; Y70-F442 HydrophobicContact CE1-CE2 3.82Å; Y70-A478 HydrophobicContact CD1-CB 4.36Å; Y70-F479 CarbonylContact C-O 3.57Å; Y70-F479 VanDerWaalsContact CA-O 3.23Å; Y70-F479 WeakPolarHBondContact CA-O 3.39Å; Y70-L480 HydrophobicContact CD1-CB 4.36Å; Y70-L480 HydrophobicContact CD1-CD1 4.24Å; Y70-L480 HydrophobicContact CE1-CB 4.29Å; Y70-L480 HydrophobicContact CE1-CD1 3.85Å
71	D	94.3	Very high	92.4	Very high	90 Å²	90	36.1 Å²	36.1	48%	0.481	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	93.1	168.4	-61	-45.2	0	0	0	107.6	F479 N481	D71-F479 PolarHBondContact N-O 3.45Å; D71-F479 PolarHBondContact O-N 2.97Å; D71-N481 WeakPolarHBondContact OD2-CA 3.24Å; D71-N481 VanDerWaalsContact OD2-CB 3.28Å; D71-N481 WeakPolarHBondContact OD2-CB 3.39Å
72	M	95.3	Very high	93.3	Very high	17 Å²	17	39 Å²	39	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.7	-172.6	-64.9	165.9	-71.1	0	0	111.4	P68 Y70 E106 Q108 S477 A478	P68-M72 HydrophobicContact CB-CE 4.45Å; Y70-M72 WeakPolarHBondContact O-CE 3.4Å; Y70-M72 PolarHBondContact O-N 2.88Å; M72-E106 HydrophobicContact CB-CB 4.07Å; M72-E106 WeakPolarHBondContact CB-O 3.39Å; M72-E106 PolarHBondContact O-N 2.96Å; M72-Q108 HydrophobicContact CE-CG 3.76Å; M72-Q108 HydrophobicContact SD-CG 3.69Å; M72-Q108 PolarHBondContact SD-NE2 3.25Å; M72-S477 CarbonylContact C-O 3.42Å; M72-S477 WeakPolarHBondContact CA-O 3.27Å; M72-A478 HydrophobicContact CG-CB 3.79Å
73	S	97	Very high	94	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	129.4	-174	-37.8	0	0	0	0	111.4	F104 K135 S477	S73-F104 CarbonylContact C-O 3.46Å; S73-F104 WeakPolarHBondContact CA-O 3.47Å; S73-K135 PolarHBondContact OG-NZ 2.89Å; S73-S477 PolarHBondContact N-O 3.43Å; S73-S477 PolarHBondContact O-N 2.91Å; S73-S477 PolarHBondContact O-OG 3.21Å
74	M	97.4	Very high	94.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.7	171	-177	-173.8	66.4	0	0	109.6	V76 G103 F104 F129 F195 M225 E476	M74-V76 HydrophobicContact CE-CG2 3.83Å; M74-V76 HydrophobicContact CG-CG2 4.07Å; M74-V76 HydrophobicContact SD-CG2 4.06Å; M74-G103 CarbonylContact O-C 3.54Å; M74-F104 HydrophobicContact CE-CB 4.35Å; M74-F104 HydrophobicContact CE-CD2 3.62Å; M74-F104 HydrophobicContact CE-CE2 4.13Å; M74-F104 HydrophobicContact CE-CG 4.05Å; M74-F104 PolarHBondContact N-O 3.45Å; M74-F104 PolarHBondContact O-N 2.89Å; M74-F129 HydrophobicContact CE-CD1 4.13Å; M74-F129 HydrophobicContact CE-CE1 4.36Å; M74-F129 HydrophobicContact SD-CE1 4.21Å; M74-F195 HydrophobicContact CE-CE2 4.13Å; M74-F195 HydrophobicContact CE-CZ 3.77Å; M74-M225 HydrophobicContact SD-CE 4.01Å; M74-E476 HydrophobicContact CB-CG 4.25Å; M74-E476 HydrophobicContact CG-CG 4.04Å
75	Q	98.2	Very high	95.2	Very high	47 Å²	47	40.2 Å²	40.2	22%	0.22	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.9	168.1	-70.3	-177.9	-48.6	0	0	110.1	W77 P101 Y102 K135 L474 N475	Q75-W77 HydrophobicContact CB-CE3 4.28Å; Q75-W77 HydrophobicContact CB-CH2 3.53Å; Q75-W77 HydrophobicContact CB-CZ3 3.39Å; Q75-W77 HydrophobicContact CG-CH2 4.42Å; Q75-W77 WeakPolarHBondContact O-CZ3 3.34Å; Q75-P101 HydrophobicContact CB-CB 3.96Å; Q75-P101 HydrophobicContact CG-CB 4.15Å; Q75-Y102 WeakPolarHBondContact CA-O 3.32Å; Q75-K135 PolarHBondContact NE2-O 2.82Å; Q75-L474 CarbonylContact O-C 3.53Å; Q75-L474 VanDerWaalsContact O-CA 3.24Å; Q75-L474 WeakPolarHBondContact O-CA 3.32Å; Q75-N475 PolarHBondContact N-O 2.74Å; Q75-N475 PolarHBondContact O-N 3.39Å
76	V	98.4	Very high	95.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.2	-178.6	-172.4	0	0	0	0	111	M74 F78 P101 Y102 F104 L194 L472 W473 L474	M74-V76 HydrophobicContact CE-CG2 3.83Å; M74-V76 HydrophobicContact CG-CG2 4.07Å; M74-V76 HydrophobicContact SD-CG2 4.06Å; V76-F78 HydrophobicContact CG1-CD2 4.02Å; V76-F78 HydrophobicContact CG1-CE2 3.74Å; V76-P101 CarbonylContact O-C 3.57Å; V76-P101 WeakPolarHBondContact O-CA 3.35Å; V76-Y102 PolarHBondContact N-O 3.28Å; V76-Y102 PolarHBondContact O-N 2.91Å; V76-F104 HydrophobicContact CG2-CE2 4.38Å; V76-L194 HydrophobicContact CG1-CD2 4.35Å; V76-L194 HydrophobicContact CG2-CD1 4.41Å; V76-L472 HydrophobicContact CG1-CB 4.27Å; V76-L472 HydrophobicContact CG1-CD1 4.2Å; V76-L472 HydrophobicContact CG1-CD2 4.47Å; V76-W473 WeakPolarHBondContact CA-O 3.21Å; V76-L474 HydrophobicContact CG2-CB 4.27Å
77	W	98.4	Very high	96	Very high	32 Å²	32	40.4 Å²	40.4	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133	173.5	-67.6	-111.5	0	0	0	109.1	Q75 E98 V99 P101 L472 W473 N475	Q75-W77 HydrophobicContact CB-CE3 4.28Å; Q75-W77 HydrophobicContact CB-CH2 3.53Å; Q75-W77 HydrophobicContact CB-CZ3 3.39Å; Q75-W77 HydrophobicContact CG-CH2 4.42Å; Q75-W77 WeakPolarHBondContact O-CZ3 3.34Å; W77-E98 HydrophobicContact CB-CG 3.99Å; W77-E98 HydrophobicContact CG-CG 4.32Å; W77-V99 WeakPolarHBondContact CA-O 3.25Å; W77-P101 HydrophobicContact CD2-CB 4.16Å; W77-P101 HydrophobicContact CH2-CB 4.06Å; W77-P101 HydrophobicContact CZ2-CB 3.68Å; W77-P101 HydrophobicContact CZ2-CG 4.11Å; W77-P101 HydrophobicContact CZ3-CB 4.46Å; W77-L472 CarbonylContact O-C 3.57Å; W77-L472 WeakPolarHBondContact O-CA 3.27Å; W77-L472 VanDerWaalsContact O-CB 3.3Å; W77-L472 WeakPolarHBondContact O-CB 3.43Å; W77-W473 HydrophobicContact CB-CD2 4.34Å; W77-W473 HydrophobicContact CB-CG 4.33Å; W77-W473 HydrophobicContact CB-CZ2 4.41Å; W77-W473 HydrophobicContact CD2-CD2 4.29Å; W77-W473 AromaticContact CD2-CE2 3.74Å; W77-W473 AromaticContact CD2-CH2 3.83Å; W77-W473 HydrophobicContact CD2-CH2 3.83Å; W77-W473 AromaticContact CD2-CZ2 3.5Å; W77-W473 HydrophobicContact CD2-CZ2 3.5Å; W77-W473 VanDerWaalsContact CD2-CZ2 3.5Å; W77-W473 HydrophobicContact CD2-CZ3 4.35Å; W77-W473 AromaticContact CE2-CH2 3.88Å; W77-W473 AromaticContact CE2-CZ2 3.68Å; W77-W473 AromaticContact CE3-CD2 3.94Å; W77-W473 HydrophobicContact CE3-CD2 3.94Å; W77-W473 AromaticContact CE3-CE2 3.86Å; W77-W473 AromaticContact CE3-CE3 3.85Å; W77-W473 HydrophobicContact CE3-CE3 3.85Å; W77-W473 AromaticContact CE3-CH2 3.65Å; W77-W473 HydrophobicContact CE3-CH2 3.65Å; W77-W473 AromaticContact CE3-CZ2 3.73Å; W77-W473 HydrophobicContact CE3-CZ2 3.73Å; W77-W473 AromaticContact CE3-CZ3 3.72Å; W77-W473 HydrophobicContact CE3-CZ3 3.72Å; W77-W473 AromaticContact CG-CE2 3.77Å; W77-W473 AromaticContact CG-CZ2 3.84Å; W77-W473 HydrophobicContact CG-CZ2 3.84Å; W77-W473 AromaticContact CG-NE1 3.82Å; W77-W473 AromaticContact CH2-CH2 3.69Å; W77-W473 HydrophobicContact CH2-CH2 3.69Å; W77-W473 HydrophobicContact CH2-CZ2 4.33Å; W77-W473 HydrophobicContact CH2-CZ3 4.03Å; W77-W473 AromaticContact CZ2-CH2 3.82Å; W77-W473 HydrophobicContact CZ2-CH2 3.82Å; W77-W473 HydrophobicContact CZ2-CZ2 4.11Å; W77-W473 HydrophobicContact CZ3-CE3 4.07Å; W77-W473 AromaticContact CZ3-CH2 3.59Å; W77-W473 HydrophobicContact CZ3-CH2 3.59Å; W77-W473 HydrophobicContact CZ3-CZ2 4.15Å; W77-W473 AromaticContact CZ3-CZ3 3.55Å; W77-W473 HydrophobicContact CZ3-CZ3 3.55Å; W77-W473 PolarHBondContact N-O 2.91Å; W77-W473 PolarHBondContact O-N 3.48Å; W77-N475 HydrophobicContact CH2-CB 4.23Å; W77-N475 HydrophobicContact CZ3-CB 3.82Å
78	F	98.5	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.5	176.8	-85	-97.9	0	0	0	111.5	V76 E98 V99 V146 V148 I190 L193 L194 L472	V76-F78 HydrophobicContact CG1-CD2 4.02Å; V76-F78 HydrophobicContact CG1-CE2 3.74Å; F78-E98 CarbonylContact O-C 3.48Å; F78-E98 WeakPolarHBondContact O-CA 3.14Å; F78-V99 PolarHBondContact N-O 2.72Å; F78-V99 PolarHBondContact O-N 3Å; F78-V146 HydrophobicContact CB-CG1 4.39Å; F78-V146 HydrophobicContact CB-CG2 4.2Å; F78-V146 HydrophobicContact CD1-CG2 3.95Å; F78-V146 HydrophobicContact CG-CG2 4.17Å; F78-V148 HydrophobicContact CD1-CG1 4.18Å; F78-I190 HydrophobicContact CB-CD1 4.23Å; F78-I190 HydrophobicContact CD2-CD1 3.47Å; F78-I190 VanDerWaalsContact CD2-CD1 3.47Å; F78-I190 HydrophobicContact CE2-CD1 3.88Å; F78-I190 HydrophobicContact CE2-CG2 4.09Å; F78-I190 HydrophobicContact CG-CD1 3.85Å; F78-L193 HydrophobicContact CD1-CD1 4.21Å; F78-L193 HydrophobicContact CE1-CB 3.93Å; F78-L193 HydrophobicContact CE1-CD1 3.74Å; F78-L193 HydrophobicContact CE1-CG 4.46Å; F78-L193 HydrophobicContact CZ-CB 3.89Å; F78-L193 HydrophobicContact CZ-CD1 4.37Å; F78-L194 HydrophobicContact CE2-CD1 4.18Å; F78-L194 HydrophobicContact CE2-CD2 4Å; F78-L194 HydrophobicContact CE2-CG 3.98Å; F78-L194 HydrophobicContact CZ-CD2 3.82Å; F78-L194 HydrophobicContact CZ-CG 3.95Å; F78-L472 HydrophobicContact CD1-CB 3.94Å; F78-L472 HydrophobicContact CD1-CD2 4.42Å; F78-L472 HydrophobicContact CD2-CB 4.3Å; F78-L472 HydrophobicContact CE1-CB 4.03Å; F78-L472 HydrophobicContact CE1-CD2 3.66Å; F78-L472 HydrophobicContact CE1-CG 4.48Å; F78-L472 HydrophobicContact CE2-CB 4.38Å; F78-L472 HydrophobicContact CE2-CD2 4.14Å; F78-L472 HydrophobicContact CG-CB 4.1Å; F78-L472 HydrophobicContact CZ-CB 4.26Å; F78-L472 HydrophobicContact CZ-CD2 3.5Å
79	F	98.5	Very high	96.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	96.6	171.5	-66.5	-65.3	0	0	0	109.9	I81 L96 E98 H404 L419 Q447 P470 V471 W473	F79-I81 PolarHBondContact O-N 2.94Å; F79-L96 HydrophobicContact CB-CB 4.25Å; F79-L96 HydrophobicContact CB-CD1 4.12Å; F79-L96 HydrophobicContact CB-CD2 4.28Å; F79-L96 HydrophobicContact CB-CG 4.45Å; F79-L96 HydrophobicContact CD1-CB 4.26Å; F79-L96 HydrophobicContact CD1-CD1 4.32Å; F79-L96 HydrophobicContact CG-CD1 4.22Å; F79-E98 HydrophobicContact CD1-CB 4.35Å; F79-E98 HydrophobicContact CE1-CB 4.3Å; F79-E98 HydrophobicContact CE1-CG 4.43Å; F79-E98 WeakPolarHBondContact CE1-OE2 3.39Å; F79-H404 AromaticContact CE1-CE1 3.68Å; F79-H404 AromaticContact CE1-ND1 3.87Å; F79-H404 AromaticContact CZ-CE1 3.76Å; F79-H404 AromaticContact CZ-ND1 3.85Å; F79-L419 HydrophobicContact CD1-CD2 4.22Å; F79-L419 HydrophobicContact CE1-CD2 3.66Å; F79-L419 HydrophobicContact CE2-CD2 4.42Å; F79-L419 HydrophobicContact CZ-CD2 3.76Å; F79-Q447 HydrophobicContact CE2-CG 4.37Å; F79-P470 HydrophobicContact CB-CB 4.43Å; F79-P470 HydrophobicContact CD2-CB 3.33Å; F79-P470 HydrophobicContact CE2-CB 3.7Å; F79-P470 HydrophobicContact CG-CB 3.98Å; F79-V471 PolarHBondContact N-O 2.84Å; F79-W473 AromaticContact CE2-CD1 3.67Å; F79-W473 AromaticContact CZ-CD1 3.48Å; F79-W473 VanDerWaalsContact CZ-CD1 3.48Å; F79-W473 AromaticContact CZ-NE1 3.99Å
80	N	98.4	Very high	96.4	Very high	37 Å²	37	43.6 Å²	43.6	20%	0.198	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	120.6	177.7	-174.6	31.8	0	0	0	110.4	V97 V99 V146 T147	N80-V97 WeakPolarHBondContact CB-O 3.46Å; N80-V97 PolarHBondContact N-O 2.82Å; N80-V97 PolarHBondContact O-N 3.12Å; N80-V99 HydrophobicContact CB-CG2 3.87Å; N80-V146 HydrophobicContact CB-CB 4.23Å; N80-V146 HydrophobicContact CB-CG1 4.13Å; N80-T147 PolarHBondContact OD1-N 3.05Å
81	I	98.5	Very high	96.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121	-177.5	-57	169.7	0	0	0	109.7	F79 V84 I87 L96 T147 P149 F185 M469	F79-I81 PolarHBondContact O-N 2.94Å; I81-V84 HydrophobicContact CB-CG2 4.29Å; I81-V84 HydrophobicContact CG2-CG2 3.77Å; I81-I87 HydrophobicContact CG2-CD1 3.7Å; I81-L96 HydrophobicContact CG1-CD2 3.72Å; I81-T147 PolarHBondContact N-O 2.92Å; I81-P149 HydrophobicContact CD1-CG 4.25Å; I81-F185 HydrophobicContact CD1-CD1 3.64Å; I81-F185 HydrophobicContact CD1-CE1 3.51Å; I81-M469 HydrophobicContact CD1-CE 3.71Å; I81-M469 HydrophobicContact CD1-CG 3.99Å; I81-M469 HydrophobicContact CD1-SD 4.06Å; I81-M469 HydrophobicContact CG1-CE 4.36Å; I81-M469 HydrophobicContact CG1-SD 4.39Å
82	T	97.8	Very high	96.4	Very high	85 Å²	85	44 Å²	44	52%	0.521	22%	0.219	S	C	.	.	S	Bend	trans	-96.7	-21.3	-173.7	58.2	0	0	0	0	115.2	S95 V97	T82-S95 PolarHBondContact N-O 3.08Å; T82-S95 WeakPolarHBondContact OG1-CB 3.4Å; T82-S95 PolarHBondContact OG1-O 2.95Å; T82-V97 HydrophobicContact CG2-CB 4.27Å; T82-V97 HydrophobicContact CG2-CG2 3.65Å
83	N	97.2	Very high	96.4	Very high	14 Å²	14	45.1 Å²	45.1	8%	0.075	22%	0.224	C	C	.	.			trans	-122.2	43.4	-173.1	72.2	-27.9	0	0	0	114.5	D85 E86 I87 K93 S95	N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 PolarHBondContact O-N 2.92Å; N83-E86 HydrophobicContact CB-CB 4.22Å; N83-E86 HydrophobicContact CB-CG 4.05Å; N83-E86 WeakPolarHBondContact CB-OE2 3.34Å; N83-E86 PolarHBondContact ND2-OE2 3.03Å; N83-E86 WeakPolarHBondContact O-CB 3.08Å; N83-E86 PolarHBondContact O-N 2.92Å; N83-E86 VanDerWaalsContact O-N 3.07Å; N83-I87 WeakPolarHBondContact O-CG1 3.32Å; N83-I87 PolarHBondContact O-N 3.23Å; N83-I87 VanDerWaalsContact O-N 3.16Å; N83-K93 PolarHBondContact ND2-O 2.73Å; N83-K93 VanDerWaalsContact ND2-O 3.12Å; N83-S95 PolarHBondContact OD1-N 3.3Å
84	V	97.1	Very high	96.4	Very high	35 Å²	35	44.7 Å²	44.7	21%	0.212	22%	0.221	C	C	.	.	H	α-helix	trans	-47.5	-50.7	-178.5	167.6	0	0	0	0	113.3	I81 E86 I87 M88 T147 F185	I81-V84 HydrophobicContact CB-CG2 4.29Å; I81-V84 HydrophobicContact CG2-CG2 3.77Å; V84-E86 VanDerWaalsContact C-N 3.29Å; V84-E86 PolarHBondContact O-N 2.87Å; V84-I87 PolarHBondContact O-N 2.58Å; V84-M88 HydrophobicContact CG1-CG 4.39Å; V84-M88 VanDerWaalsContact O-CG 3.26Å; V84-M88 WeakPolarHBondContact O-CG 3.25Å; V84-M88 PolarHBondContact O-N 2.79Å; V84-M88 VanDerWaalsContact O-N 3.07Å; V84-T147 HydrophobicContact CG2-CG2 3.8Å; V84-F185 HydrophobicContact CB-CD2 4.37Å; V84-F185 HydrophobicContact CG1-CB 4.27Å; V84-F185 HydrophobicContact CG1-CD2 3.5Å; V84-F185 HydrophobicContact CG1-CE2 4.09Å; V84-F185 HydrophobicContact CG1-CG 4.09Å; V84-F185 HydrophobicContact CG2-CB 4.26Å; V84-F185 HydrophobicContact CG2-CD1 4.46Å; V84-F185 HydrophobicContact CG2-CD2 4.15Å; V84-F185 HydrophobicContact CG2-CG 4.03Å
85	D	95.6	Very high	96.4	Very high	119 Å²	119	46.1 Å²	46.1	64%	0.636	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-34.5	-177	-63.6	-39.3	0	0	0	112.4	N83 M88 L89	N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 PolarHBondContact O-N 2.92Å; D85-M88 PolarHBondContact O-N 2.64Å; D85-L89 HydrophobicContact CB-CD1 4.46Å; D85-L89 WeakPolarHBondContact O-CB 3.24Å; D85-L89 VanDerWaalsContact O-CG 3.29Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 3.49Å
86	E	96.5	Very high	96.4	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	22%	0.223	S	C	.	.	H	α-helix	trans	-69.8	-41	178.3	-54.5	-179.2	170.4	0	0	112	N83 V84 M88 Y90 Q91 A92	N83-E86 HydrophobicContact CB-CB 4.22Å; N83-E86 HydrophobicContact CB-CG 4.05Å; N83-E86 WeakPolarHBondContact CB-OE2 3.34Å; N83-E86 PolarHBondContact ND2-OE2 3.03Å; N83-E86 WeakPolarHBondContact O-CB 3.08Å; N83-E86 PolarHBondContact O-N 2.92Å; N83-E86 VanDerWaalsContact O-N 3.07Å; V84-E86 VanDerWaalsContact C-N 3.29Å; V84-E86 PolarHBondContact O-N 2.87Å; E86-M88 VanDerWaalsContact C-N 3.28Å; E86-M88 PolarHBondContact O-N 2.72Å; E86-Y90 HydrophobicContact CB-CD2 4.49Å; E86-Y90 CarbonylContact O-C 3.55Å; E86-Y90 WeakPolarHBondContact O-CA 3.23Å; E86-Y90 WeakPolarHBondContact O-CB 3.38Å; E86-Y90 PolarHBondContact O-N 3.42Å; E86-Q91 PolarHBondContact O-N 2.72Å; E86-A92 HydrophobicContact CB-CB 3.46Å; E86-A92 VanDerWaalsContact CB-CB 3.46Å; E86-A92 WeakPolarHBondContact O-CB 3.48Å; E86-A92 PolarHBondContact O-N 3.48Å
87	I	96	Very high	96.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-45.9	175.1	-60.2	162.8	0	0	0	109.2	I81 N83 V84 P94 F185 M464 M469	I81-I87 HydrophobicContact CG2-CD1 3.7Å; N83-I87 WeakPolarHBondContact O-CG1 3.32Å; N83-I87 PolarHBondContact O-N 3.23Å; N83-I87 VanDerWaalsContact O-N 3.16Å; V84-I87 PolarHBondContact O-N 2.58Å; I87-P94 HydrophobicContact CD1-CB 3.64Å; I87-P94 HydrophobicContact CD1-CG 3.87Å; I87-P94 HydrophobicContact CG1-CB 4.17Å; I87-P94 HydrophobicContact CG1-CG 4.05Å; I87-P94 HydrophobicContact CG2-CG 4.48Å; I87-F185 HydrophobicContact CD1-CZ 4.34Å; I87-F185 HydrophobicContact CG2-CZ 4.32Å; I87-M464 HydrophobicContact CG2-CB 4.33Å; I87-M464 HydrophobicContact CG2-CE 4.33Å; I87-M464 WeakPolarHBondContact O-CA 3.24Å; I87-M464 WeakPolarHBondContact O-CB 3.49Å; I87-M469 HydrophobicContact CD1-CE 4.14Å
88	M	93.8	Very high	96.4	Very high	24 Å²	24	50.1 Å²	50.1	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-76.4	-36.4	-173.8	-66.5	-65.1	-84.2	0	0	113.6	V84 D85 E86 A184 F185 T460 V461 R463 M464	V84-M88 HydrophobicContact CG1-CG 4.39Å; V84-M88 VanDerWaalsContact O-CG 3.26Å; V84-M88 WeakPolarHBondContact O-CG 3.25Å; V84-M88 PolarHBondContact O-N 2.79Å; V84-M88 VanDerWaalsContact O-N 3.07Å; D85-M88 PolarHBondContact O-N 2.64Å; E86-M88 VanDerWaalsContact C-N 3.28Å; E86-M88 PolarHBondContact O-N 2.72Å; M88-A184 HydrophobicContact CE-CB 3.68Å; M88-A184 HydrophobicContact SD-CB 4.17Å; M88-F185 HydrophobicContact CG-CD2 4.24Å; M88-F185 HydrophobicContact CG-CE2 3.8Å; M88-F185 HydrophobicContact SD-CD2 4.25Å; M88-F185 HydrophobicContact SD-CE2 3.66Å; M88-T460 HydrophobicContact CE-CG2 3.68Å; M88-T460 WeakPolarHBondContact CE-O 3.44Å; M88-V461 HydrophobicContact CE-CG1 4.19Å; M88-R463 WeakPolarHBondContact O-CB 3.49Å; M88-M464 HydrophobicContact SD-CB 4.41Å; M88-M464 HydrophobicContact SD-CG 4.49Å; M88-M464 HydrophobicContact SD-SD 3.6Å
89	L	92.2	Very high	96.3	Very high	80 Å²	80	52 Å²	52	42%	0.419	27%	0.268	S	S	.	.	H	α-helix	trans	-98.4	-31.9	-173.9	-62.8	174.5	0	0	0	114.1	D85	D85-L89 HydrophobicContact CB-CD1 4.46Å; D85-L89 WeakPolarHBondContact O-CB 3.24Å; D85-L89 VanDerWaalsContact O-CG 3.29Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 3.49Å
90	Y	93	Very high	96.2	Very high	175 Å²	175	53 Å²	53	69%	0.686	28%	0.278	S	S	*	.	H	α-helix	trans	-126.6	11	-165.9	-52.9	-55.2	0	0	0	114.6	E86 A92	E86-Y90 HydrophobicContact CB-CD2 4.49Å; E86-Y90 CarbonylContact O-C 3.55Å; E86-Y90 WeakPolarHBondContact O-CA 3.23Å; E86-Y90 WeakPolarHBondContact O-CB 3.38Å; E86-Y90 PolarHBondContact O-N 3.42Å; Y90-A92 PolarHBondContact O-N 2.77Å
91	Q	91.3	Very high	96.2	Very high	116 Å²	116	52.4 Å²	52.4	54%	0.542	28%	0.276	S	S	.	.			trans	58.7	22.8	-175.8	-63.9	-179.9	-21.1	0	0	113.8	E86 R463	E86-Q91 PolarHBondContact O-N 2.72Å; Q91-R463 WeakPolarHBondContact CG-O 3.44Å; Q91-R463 PolarHBondContact NE2-O 3.32Å
92	A	94.5	Very high	96.2	Very high	22 Å²	22	52.1 Å²	52.1	18%	0.182	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.3	148.1	-176.1	0	0	0	0	0	111.5	E86 Y90	E86-A92 HydrophobicContact CB-CB 3.46Å; E86-A92 VanDerWaalsContact CB-CB 3.46Å; E86-A92 WeakPolarHBondContact O-CB 3.48Å; E86-A92 PolarHBondContact O-N 3.48Å; Y90-A92 PolarHBondContact O-N 2.77Å
93	K	95.4	Very high	96.2	Very high	42 Å²	42	48 Å²	48	18%	0.183	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-65.7	128.6	172.9	175	167	165.1	-179.7	0	108.9	N83 S95 N414 V416 F417	N83-K93 PolarHBondContact ND2-O 2.73Å; N83-K93 VanDerWaalsContact ND2-O 3.12Å; K93-S95 PolarHBondContact O-N 3.32Å; K93-N414 WeakPolarHBondContact CE-O 3.19Å; K93-N414 PolarHBondContact NZ-O 2.74Å; K93-V416 VanDerWaalsContact CE-CA 3.49Å; K93-V416 WeakPolarHBondContact CE-O 3.46Å; K93-V416 PolarHBondContact NZ-O 2.74Å; K93-V416 VanDerWaalsContact NZ-O 3.11Å; K93-F417 HydrophobicContact CB-CD2 4.09Å; K93-F417 HydrophobicContact CB-CE2 3.75Å; K93-F417 HydrophobicContact CB-CZ 4.49Å; K93-F417 HydrophobicContact CD-CD1 4.14Å; K93-F417 HydrophobicContact CD-CD2 3.76Å; K93-F417 HydrophobicContact CD-CE1 3.91Å; K93-F417 HydrophobicContact CD-CE2 3.53Å; K93-F417 HydrophobicContact CD-CG 4.07Å; K93-F417 HydrophobicContact CD-CZ 3.61Å; K93-F417 VanDerWaalsContact CE-CD1 3.44Å; K93-F417 VanDerWaalsContact CE-CG 3.48Å; K93-F417 HydrophobicContact CG-CD2 3.61Å; K93-F417 HydrophobicContact CG-CE2 3.63Å; K93-F417 HydrophobicContact CG-CG 4.22Å; K93-F417 HydrophobicContact CG-CZ 4.25Å
94	P	97.5	Very high	96.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.6	138.1	179.8	-24.1	32.8	0	0	0	112.6	I87 V416 F417 V467 M469	I87-P94 HydrophobicContact CD1-CB 3.64Å; I87-P94 HydrophobicContact CD1-CG 3.87Å; I87-P94 HydrophobicContact CG1-CB 4.17Å; I87-P94 HydrophobicContact CG1-CG 4.05Å; I87-P94 HydrophobicContact CG2-CG 4.48Å; P94-V416 HydrophobicContact CB-CG1 3.96Å; P94-V416 HydrophobicContact CG-CG1 4.05Å; P94-F417 PolarHBondContact O-N 2.62Å; P94-V467 HydrophobicContact CG-CG1 4.3Å; P94-M469 HydrophobicContact CB-CE 3.48Å; P94-M469 VanDerWaalsContact CB-CE 3.48Å; P94-M469 HydrophobicContact CB-SD 3.76Å; P94-M469 HydrophobicContact CG-CE 3.51Å; P94-M469 HydrophobicContact CG-SD 4.07Å
95	S	98.1	Very high	96.3	Very high	31 Å²	31	47.6 Å²	47.6	22%	0.217	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-108.9	121.3	175.3	-62.7	0	0	0	0	110.1	T82 N83 K93	T82-S95 PolarHBondContact N-O 3.08Å; T82-S95 WeakPolarHBondContact OG1-CB 3.4Å; T82-S95 PolarHBondContact OG1-O 2.95Å; N83-S95 PolarHBondContact OD1-N 3.3Å; K93-S95 PolarHBondContact O-N 3.32Å
96	L	98.1	Very high	96.3	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.2	-176.5	-51.5	177.9	0	0	0	110.3	F79 I81 V416 F417 L419 M469 P470	F79-L96 HydrophobicContact CB-CB 4.25Å; F79-L96 HydrophobicContact CB-CD1 4.12Å; F79-L96 HydrophobicContact CB-CD2 4.28Å; F79-L96 HydrophobicContact CB-CG 4.45Å; F79-L96 HydrophobicContact CD1-CB 4.26Å; F79-L96 HydrophobicContact CD1-CD1 4.32Å; F79-L96 HydrophobicContact CG-CD1 4.22Å; I81-L96 HydrophobicContact CG1-CD2 3.72Å; L96-V416 HydrophobicContact CD1-CB 3.98Å; L96-V416 HydrophobicContact CD1-CG1 4.41Å; L96-V416 HydrophobicContact CD1-CG2 3.86Å; L96-V416 HydrophobicContact CG-CB 4.4Å; L96-F417 VanDerWaalsContact CB-O 3.31Å; L96-F417 WeakPolarHBondContact CB-O 3.41Å; L96-F417 WeakPolarHBondContact CG-O 3.39Å; L96-F417 PolarHBondContact N-O 3.47Å; L96-L419 HydrophobicContact CD1-CD2 4.15Å; L96-M469 HydrophobicContact CD2-SD 3.88Å; L96-P470 HydrophobicContact CD1-CB 4.08Å; L96-P470 HydrophobicContact CD1-CG 3.86Å
97	V	98	Very high	96.1	Very high	78 Å²	78	40.8 Å²	40.8	47%	0.473	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.4	165.5	175.4	0	0	0	0	107.7	N80 T82	N80-V97 WeakPolarHBondContact CB-O 3.46Å; N80-V97 PolarHBondContact N-O 2.82Å; N80-V97 PolarHBondContact O-N 3.12Å; T82-V97 HydrophobicContact CG2-CB 4.27Å; T82-V97 HydrophobicContact CG2-CG2 3.65Å
98	E	97.9	Very high	96	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.3	176.3	-175.7	171.5	87.1	0	0	111.6	W77 F78 F79 H404 W473	W77-E98 HydrophobicContact CB-CG 3.99Å; W77-E98 HydrophobicContact CG-CG 4.32Å; F78-E98 CarbonylContact O-C 3.48Å; F78-E98 WeakPolarHBondContact O-CA 3.14Å; F79-E98 HydrophobicContact CD1-CB 4.35Å; F79-E98 HydrophobicContact CE1-CB 4.3Å; F79-E98 HydrophobicContact CE1-CG 4.43Å; F79-E98 WeakPolarHBondContact CE1-OE2 3.39Å; E98-H404 IonicContact OE2-CE1 2.72Å; E98-H404 PolarHBondContact OE2-CE1 2.92Å; E98-H404 IonicContact OE2-NE2 3.72Å; E98-H404 PolarHBondContact OE2-NE2 2.88Å; E98-H404 VanDerWaalsContact OE2-NE2 3.09Å; E98-W473 PolarHBondContact OE2-NE1 2.95Å
99	V	97.5	Very high	96	Very high	40 Å²	40	47.5 Å²	47.5	24%	0.242	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.8	178.3	-166.7	0	0	0	0	109.2	W77 F78 N80 Y102 V146	W77-V99 WeakPolarHBondContact CA-O 3.25Å; F78-V99 PolarHBondContact N-O 2.72Å; F78-V99 PolarHBondContact O-N 3Å; N80-V99 HydrophobicContact CB-CG2 3.87Å; V99-Y102 HydrophobicContact CG1-CE2 4.14Å; V99-Y102 VanDerWaalsContact CG1-OH 3.24Å; V99-Y102 WeakPolarHBondContact CG1-OH 3.4Å; V99-Y102 WeakPolarHBondContact O-CE2 3.27Å; V99-V146 HydrophobicContact CB-CG1 4.36Å; V99-V146 HydrophobicContact CG2-CG1 4.22Å
100	G	96.7	Very high	96	Very high	21 Å²	21	43.9 Å²	43.9	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-169	-179.4	0	0	0	0	0	112.8	C137	G100-C137 WeakPolarHBondContact O-CB 3.29Å
101	P	98.1	Very high	96.1	Very high	25 Å²	25	37.4 Å²	37.4	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-70.3	147.3	-9.2	26.7	-33.3	0	0	0	112.6	Q75 V76 W77 S136 C137 C140	Q75-P101 HydrophobicContact CB-CB 3.96Å; Q75-P101 HydrophobicContact CG-CB 4.15Å; V76-P101 CarbonylContact O-C 3.57Å; V76-P101 WeakPolarHBondContact O-CA 3.35Å; W77-P101 HydrophobicContact CD2-CB 4.16Å; W77-P101 HydrophobicContact CH2-CB 4.06Å; W77-P101 HydrophobicContact CZ2-CB 3.68Å; W77-P101 HydrophobicContact CZ2-CG 4.11Å; W77-P101 HydrophobicContact CZ3-CB 4.46Å; P101-S136 CarbonylContact O-C 3.55Å; P101-S136 VanDerWaalsContact O-CA 3.28Å; P101-S136 WeakPolarHBondContact O-CA 3.42Å; P101-C137 PolarHBondContact O-N 2.85Å; P101-C140 PolarHBondContact O-SG 2.8Å
102	Y	98.4	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.2	156.7	-61.2	-86.2	0	0	0	106.9	Q75 V76 V99 F104 C140 R141 D144 I190	Q75-Y102 WeakPolarHBondContact CA-O 3.32Å; V76-Y102 PolarHBondContact N-O 3.28Å; V76-Y102 PolarHBondContact O-N 2.91Å; V99-Y102 HydrophobicContact CG1-CE2 4.14Å; V99-Y102 VanDerWaalsContact CG1-OH 3.24Å; V99-Y102 WeakPolarHBondContact CG1-OH 3.4Å; V99-Y102 WeakPolarHBondContact O-CE2 3.27Å; Y102-F104 WeakPolarHBondContact O-CD2 3.26Å; Y102-F104 WeakPolarHBondContact O-CE2 3.12Å; Y102-C140 HydrophobicContact CD1-CB 3.79Å; Y102-C140 HydrophobicContact CE1-CB 3.51Å; Y102-R141 WeakPolarHBondContact CE1-O 3.47Å; Y102-D144 HydrophobicContact CE1-CB 4.47Å; Y102-D144 WeakPolarHBondContact OH-CB 3.39Å; Y102-D144 PolarHBondContact OH-OD2 3.44Å; Y102-I190 HydrophobicContact CD1-CG1 4.33Å; Y102-I190 HydrophobicContact CD1-CG2 4.02Å; Y102-I190 HydrophobicContact CD2-CD1 4.09Å; Y102-I190 HydrophobicContact CD2-CG1 4.31Å; Y102-I190 HydrophobicContact CD2-CG2 4.09Å; Y102-I190 HydrophobicContact CE1-CB 4.43Å; Y102-I190 HydrophobicContact CE1-CD1 4.48Å; Y102-I190 HydrophobicContact CE1-CG1 3.81Å; Y102-I190 HydrophobicContact CE1-CG2 4.35Å; Y102-I190 HydrophobicContact CE2-CD1 3.53Å; Y102-I190 HydrophobicContact CE2-CG1 3.8Å; Y102-I190 HydrophobicContact CE2-CG2 4.43Å; Y102-I190 HydrophobicContact CG-CG2 3.89Å
103	G	98	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139.3	-174.8	0	0	0	0	0	112.4	M74 F131 N132 S136	M74-G103 CarbonylContact O-C 3.54Å; G103-F131 VanDerWaalsContact O-CD2 3.3Å; G103-F131 WeakPolarHBondContact O-CD2 3.46Å; G103-N132 PolarHBondContact O-N 3.15Å; G103-S136 PolarHBondContact N-OG 2.94Å
104	F	97.8	Very high	95.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.2	176	-57.4	-95.8	0	0	0	108.9	S73 M74 V76 Y102 E130 F131 L142 L194 F195	S73-F104 CarbonylContact C-O 3.46Å; S73-F104 WeakPolarHBondContact CA-O 3.47Å; M74-F104 HydrophobicContact CE-CB 4.35Å; M74-F104 HydrophobicContact CE-CD2 3.62Å; M74-F104 HydrophobicContact CE-CE2 4.13Å; M74-F104 HydrophobicContact CE-CG 4.05Å; M74-F104 PolarHBondContact N-O 3.45Å; M74-F104 PolarHBondContact O-N 2.89Å; V76-F104 HydrophobicContact CG2-CE2 4.38Å; Y102-F104 WeakPolarHBondContact O-CD2 3.26Å; Y102-F104 WeakPolarHBondContact O-CE2 3.12Å; F104-E130 CarbonylContact C-O 3.09Å; F104-E130 WeakPolarHBondContact CA-O 3.36Å; F104-F131 HydrophobicContact CD1-CB 3.94Å; F104-F131 HydrophobicContact CD1-CD2 4.11Å; F104-F131 HydrophobicContact CE1-CB 3.88Å; F104-F131 AromaticContact CE1-CD2 3.72Å; F104-F131 HydrophobicContact CE1-CD2 3.72Å; F104-F131 HydrophobicContact CE1-CG 4.25Å; F104-F131 AromaticContact CZ-CD2 3.96Å; F104-F131 HydrophobicContact CZ-CD2 3.96Å; F104-L142 HydrophobicContact CE1-CD2 4.01Å; F104-L142 HydrophobicContact CZ-CD2 3.75Å; F104-L194 HydrophobicContact CE2-CD1 3.9Å; F104-L194 HydrophobicContact CZ-CD1 3.82Å; F104-F195 AromaticContact CD1-CE2 3.85Å; F104-F195 HydrophobicContact CD1-CE2 3.85Å; F104-F195 AromaticContact CE1-CD2 3.99Å; F104-F195 HydrophobicContact CE1-CD2 3.99Å; F104-F195 AromaticContact CE1-CE2 3.51Å; F104-F195 HydrophobicContact CE1-CE2 3.51Å; F104-F195 HydrophobicContact CE2-CE2 4.29Å; F104-F195 HydrophobicContact CG-CE2 4.38Å; F104-F195 HydrophobicContact CZ-CD2 4.26Å; F104-F195 AromaticContact CZ-CE2 3.76Å; F104-F195 HydrophobicContact CZ-CE2 3.76Å
105	D	97.2	Very high	95.5	Very high	35 Å²	35	39.4 Å²	39.4	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.5	160.3	-62.6	-47.8	0	0	0	107.5	F129 E130 N132 K135	D105-F129 WeakPolarHBondContact O-CA 3.48Å; D105-E130 PolarHBondContact N-O 2.02Å; D105-E130 PolarHBondContact O-N 3.08Å; D105-N132 VanDerWaalsContact CG-ND2 3.34Å; D105-N132 PolarHBondContact OD1-ND2 2.88Å; D105-N132 VanDerWaalsContact OD1-ND2 3.16Å; D105-N132 WeakPolarHBondContact OD2-CB 3.49Å; D105-N132 PolarHBondContact OD2-ND2 3.01Å; D105-K135 WeakPolarHBondContact OD1-CD 3.29Å; D105-K135 VanDerWaalsContact OD1-CE 3.26Å; D105-K135 WeakPolarHBondContact OD1-CE 3.22Å; D105-K135 IonicContact OD1-NZ 2.87Å; D105-K135 PolarHBondContact OD1-NZ 2.9Å
106	E	95.3	Very high	95.2	Very high	7 Å²	7	43 Å²	43	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.6	173.3	179.9	175.6	164.5	0	0	109.2	M72 K127 F129	M72-E106 HydrophobicContact CB-CB 4.07Å; M72-E106 WeakPolarHBondContact CB-O 3.39Å; M72-E106 PolarHBondContact O-N 2.96Å; E106-K127 WeakPolarHBondContact OE1-CD 3.47Å; E106-K127 WeakPolarHBondContact OE1-CE 3.49Å; E106-K127 IonicContact OE1-NZ 3.74Å; E106-K127 PolarHBondContact OE1-NZ 2.86Å; E106-F129 HydrophobicContact CB-CD1 4.05Å; E106-F129 HydrophobicContact CB-CE1 4.07Å; E106-F129 HydrophobicContact CG-CD1 4.01Å; E106-F129 HydrophobicContact CG-CE1 3.65Å; E106-F129 HydrophobicContact CG-CZ 4.32Å
107	H	94.1	Very high	94.7	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	176.2	-62.5	-43.2	0	0	0	109.8	K127 W128 E130	H107-K127 CarbonylContact O-C 3.56Å; H107-K127 WeakPolarHBondContact O-CA 3.34Å; H107-W128 HydrophobicContact CB-CD2 3.57Å; H107-W128 HydrophobicContact CB-CE3 3.81Å; H107-W128 HydrophobicContact CB-CG 4.25Å; H107-W128 HydrophobicContact CB-CH2 3.65Å; H107-W128 HydrophobicContact CB-CZ2 3.39Å; H107-W128 HydrophobicContact CB-CZ3 3.84Å; H107-W128 AromaticContact CD2-CE2 3.8Å; H107-W128 AromaticContact CD2-NE1 3.48Å; H107-W128 PolarHBondContact CD2-NE1 3.46Å; H107-W128 AromaticContact CG-CE2 3.9Å; H107-W128 AromaticContact CG-CZ2 3.9Å; H107-W128 PolarHBondContact N-O 3.03Å; H107-W128 PolarHBondContact O-N 3.14Å; H107-E130 IonicContact CD2-OE1 3.24Å
108	Q	92.8	Very high	94.2	Very high	41 Å²	41	51.6 Å²	51.6	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150	175.6	61.5	174	-11.7	0	0	111.9	P68 M72 F126 K127	P68-Q108 HydrophobicContact CG-CG 4.37Å; M72-Q108 HydrophobicContact CE-CG 3.76Å; M72-Q108 HydrophobicContact SD-CG 3.69Å; M72-Q108 PolarHBondContact SD-NE2 3.25Å; Q108-F126 VanDerWaalsContact CA-O 3.26Å; Q108-F126 WeakPolarHBondContact CA-O 3.34Å; Q108-K127 HydrophobicContact CB-CG 4Å
109	R	93.3	Very high	93.7	Very high	125 Å²	125	48 Å²	48	47%	0.472	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.7	168.2	60.2	178.4	175	-177.5	-4.3	109.2	E66 V111 F126 W128	E66-R109 CarbonylContact O-C 3.57Å; E66-R109 WeakPolarHBondContact O-CA 2.89Å; R109-V111 HydrophobicContact CG-CG1 4.12Å; R109-F126 HydrophobicContact CG-CB 4.16Å; R109-F126 HydrophobicContact CG-CD1 4.21Å; R109-F126 PolarHBondContact N-O 2.89Å; R109-F126 PolarHBondContact O-N 2.78Å; R109-W128 HydrophobicContact CG-CZ3 4.49Å
110	K	93.3	Very high	93.4	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.8	171	-53.8	-176.3	-176.4	-120	0	108.8	W65 E66 V113 Y123 Q124 D299 T301	W65-K110 HydrophobicContact CD2-CD 3.52Å; W65-K110 VanDerWaalsContact CE2-NZ 3.25Å; W65-K110 HydrophobicContact CE3-CD 3.73Å; W65-K110 HydrophobicContact CG-CD 4.16Å; W65-K110 HydrophobicContact CH2-CD 3.7Å; W65-K110 HydrophobicContact CZ2-CD 3.49Å; W65-K110 VanDerWaalsContact CZ2-CD 3.49Å; W65-K110 HydrophobicContact CZ3-CD 3.81Å; W65-K110 VanDerWaalsContact NE1-CE 3.34Å; W65-K110 VanDerWaalsContact O-CD 3.25Å; W65-K110 WeakPolarHBondContact O-CD 3.32Å; W65-K110 WeakPolarHBondContact O-CE 3.27Å; E66-K110 HydrophobicContact CG-CB 4.24Å; E66-K110 PolarHBondContact O-N 3.05Å; K110-V113 HydrophobicContact CB-CG2 4.24Å; K110-Y123 HydrophobicContact CB-CD2 3.96Å; K110-Y123 HydrophobicContact CD-CD2 3.73Å; K110-Y123 HydrophobicContact CD-CE2 3.78Å; K110-Y123 HydrophobicContact CD-CG 4.21Å; K110-Y123 HydrophobicContact CG-CD2 3.82Å; K110-Y123 HydrophobicContact CG-CE2 4.03Å; K110-Y123 VanDerWaalsContact NZ-CE2 3.34Å; K110-Y123 PolarHBondContact NZ-OH 3.18Å; K110-Q124 CarbonylContact C-O 3.55Å; K110-Q124 VanDerWaalsContact CA-O 3.32Å; K110-Q124 WeakPolarHBondContact CA-O 3.27Å; K110-D299 IonicContact NZ-OD2 3.93Å; K110-T301 PolarHBondContact NZ-OG1 2.78Å
111	V	93.7	Very high	93.1	Very high	38 Å²	38	45.4 Å²	45.4	23%	0.23	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.2	179.9	-60.5	0	0	0	0	110.3	R109 V113 Q124 F126 L232	R109-V111 HydrophobicContact CG-CG1 4.12Å; V111-V113 PolarHBondContact O-N 3.34Å; V111-Q124 HydrophobicContact CG2-CB 4.14Å; V111-Q124 PolarHBondContact N-O 3.02Å; V111-Q124 PolarHBondContact O-N 2.77Å; V111-F126 HydrophobicContact CG1-CB 4.07Å; V111-F126 HydrophobicContact CG2-CB 4.16Å; V111-L232 HydrophobicContact CG2-CD2 3.39Å
112	G	92	Very high	92.9	Very high	55 Å²	55	45.1 Å²	45.1	57%	0.567	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	66.9	21.3	-176.8	0	0	0	0	0	113.6	T114	G112-T114 PolarHBondContact O-N 3.39Å; G112-T114 VanDerWaalsContact O-N 3.15Å; G112-T114 PolarHBondContact O-OG1 3.12Å; G112-T114 VanDerWaalsContact O-OG1 3.05Å
113	V	92.3	Very high	92.7	Very high	33 Å²	33	45.3 Å²	45.3	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	116	-175	-173.9	0	0	0	0	110.1	W65 E66 K110 V111 Y115 I121 S122	W65-V113 HydrophobicContact CZ3-CG1 4Å; W65-V113 HydrophobicContact CZ3-CG2 4.32Å; E66-V113 HydrophobicContact CG-CG2 4.37Å; K110-V113 HydrophobicContact CB-CG2 4.24Å; V111-V113 PolarHBondContact O-N 3.34Å; V113-Y115 HydrophobicContact CG1-CE2 3.81Å; V113-I121 HydrophobicContact CG1-CG2 3.71Å; V113-S122 CarbonylContact C-O 3.56Å; V113-S122 VanDerWaalsContact CA-O 3.32Å; V113-S122 WeakPolarHBondContact CA-O 3.48Å
114	T	92.7	Very high	92.5	Very high	65 Å²	65	48.4 Å²	48.4	40%	0.399	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128	-177.9	-53	0	0	0	0	110.1	G112 Y116 I121 S122	G112-T114 PolarHBondContact O-N 3.39Å; G112-T114 VanDerWaalsContact O-N 3.15Å; G112-T114 PolarHBondContact O-OG1 3.12Å; G112-T114 VanDerWaalsContact O-OG1 3.05Å; T114-Y116 HydrophobicContact CG2-CE1 4.34Å; T114-Y116 HydrophobicContact CG2-CE2 4.3Å; T114-Y116 WeakPolarHBondContact O-CE2 3.37Å; T114-I121 CarbonylContact O-C 3.45Å; T114-I121 VanDerWaalsContact O-CA 3.3Å; T114-I121 WeakPolarHBondContact O-CA 3.21Å; T114-S122 WeakPolarHBondContact CB-OG 3.19Å; T114-S122 PolarHBondContact N-O 3.06Å; T114-S122 PolarHBondContact O-N 3.38Å
115	Y	90.2	Very high	92.3	Very high	71 Å²	71	48.7 Å²	48.7	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.1	-178.7	-61.2	-87.2	0	0	0	111.1	L55 N57 E62 V113 I121	L55-Y115 WeakPolarHBondContact O-CE1 3.34Å; N57-Y115 HydrophobicContact CB-CD2 4.12Å; N57-Y115 HydrophobicContact CB-CE1 4.38Å; N57-Y115 HydrophobicContact CB-CE2 3.77Å; E62-Y115 WeakPolarHBondContact CG-OH 3.49Å; E62-Y115 PolarHBondContact OE1-OH 3.26Å; V113-Y115 HydrophobicContact CG1-CE2 3.81Å; Y115-I121 HydrophobicContact CD1-CD1 4.14Å; Y115-I121 HydrophobicContact CD1-CG1 3.83Å; Y115-I121 HydrophobicContact CD1-CG2 4.33Å; Y115-I121 HydrophobicContact CE1-CD1 3.73Å; Y115-I121 HydrophobicContact CE1-CG1 3.92Å; Y115-I121 HydrophobicContact CE1-CG2 4.17Å
116	Y	91.2	Very high	92.2	Very high	106 Å²	106	48.9 Å²	48.9	42%	0.416	25%	0.252	S	S	.	.			trans	-127.9	145.2	178.8	-56.8	-87.9	0	0	0	111.4	T114 N118 G119 T120 S122 L237	T114-Y116 HydrophobicContact CG2-CE1 4.34Å; T114-Y116 HydrophobicContact CG2-CE2 4.3Å; T114-Y116 WeakPolarHBondContact O-CE2 3.37Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.22Å; Y116-N118 PolarHBondContact O-N 3.15Å; Y116-N118 PolarHBondContact O-OD1 2.99Å; Y116-G119 PolarHBondContact O-N 2.82Å; Y116-T120 WeakPolarHBondContact CD2-O 3.04Å; Y116-T120 PolarHBondContact N-O 2.81Å; Y116-S122 WeakPolarHBondContact CE2-OG 3.4Å; Y116-S122 PolarHBondContact OH-OG 3.27Å; Y116-L237 HydrophobicContact CD2-CD1 4.08Å; Y116-L237 HydrophobicContact CE2-CD1 3.76Å
117	D	87.2	Confident	92.1	Very high	175 Å²	175	50.7 Å²	50.7	94%	0.936	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	-173.9	-58	-51.4	0	0	0	114.5	G119	D117-G119 PolarHBondContact O-N 3.05Å
118	N	88.9	Confident	92.1	Very high	94 Å²	94	50.2 Å²	50.2	50%	0.503	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	4.1	173.4	70.4	-10.6	0	0	0	113.8	Y116 T120	Y116-N118 WeakPolarHBondContact CB-OD1 3.22Å; Y116-N118 PolarHBondContact O-N 3.15Å; Y116-N118 PolarHBondContact O-OD1 2.99Å; N118-T120 PolarHBondContact ND2-OG1 3.42Å; N118-T120 PolarHBondContact OD1-N 2.95Å; N118-T120 PolarHBondContact OD1-OG1 3.07Å
119	G	86.3	Confident	92.3	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	79.8	14.8	-178.2	0	0	0	0	0	115.3	Y116 D117 S240	Y116-G119 PolarHBondContact O-N 2.82Å; D117-G119 PolarHBondContact O-N 3.05Å; G119-S240 VanDerWaalsContact O-CB 3.26Å; G119-S240 WeakPolarHBondContact O-CB 3.48Å; G119-S240 PolarHBondContact O-N 2.92Å; G119-S240 PolarHBondContact O-OG 2.86Å
120	T	91	Very high	92.4	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	160.3	171.2	62.9	0	0	0	0	113.1	Y116 N118 I238 K239 V252	Y116-T120 WeakPolarHBondContact CD2-O 3.04Å; Y116-T120 PolarHBondContact N-O 2.81Å; N118-T120 PolarHBondContact ND2-OG1 3.42Å; N118-T120 PolarHBondContact OD1-N 2.95Å; N118-T120 PolarHBondContact OD1-OG1 3.07Å; T120-I238 CarbonylContact C-O 3.52Å; T120-I238 WeakPolarHBondContact CA-O 3.38Å; T120-I238 VanDerWaalsContact CB-O 3.25Å; T120-I238 WeakPolarHBondContact CB-O 2.89Å; T120-K239 HydrophobicContact CG2-CD 4.08Å; T120-V252 HydrophobicContact CG2-CG2 4.08Å
121	I	91.9	Very high	92.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.3	176.6	-48.3	172.2	0	0	0	108	L55 W65 V113 T114 Y115 L237 I238	L55-I121 HydrophobicContact CB-CD1 3.43Å; L55-I121 VanDerWaalsContact CB-CD1 3.43Å; L55-I121 HydrophobicContact CD1-CD1 4.12Å; L55-I121 HydrophobicContact CG-CD1 4.44Å; L55-I121 VanDerWaalsContact O-CD1 3.3Å; L55-I121 WeakPolarHBondContact O-CD1 3.47Å; W65-I121 HydrophobicContact CH2-CG2 3.97Å; W65-I121 HydrophobicContact CZ3-CG2 4.37Å; V113-I121 HydrophobicContact CG1-CG2 3.71Å; T114-I121 CarbonylContact O-C 3.45Å; T114-I121 VanDerWaalsContact O-CA 3.3Å; T114-I121 WeakPolarHBondContact O-CA 3.21Å; Y115-I121 HydrophobicContact CD1-CD1 4.14Å; Y115-I121 HydrophobicContact CD1-CG1 3.83Å; Y115-I121 HydrophobicContact CD1-CG2 4.33Å; Y115-I121 HydrophobicContact CE1-CD1 3.73Å; Y115-I121 HydrophobicContact CE1-CG1 3.92Å; Y115-I121 HydrophobicContact CE1-CG2 4.17Å; I121-L237 CarbonylContact O-C 3.58Å; I121-L237 WeakPolarHBondContact O-CA 3Å; I121-I238 HydrophobicContact CB-CG1 4.32Å; I121-I238 PolarHBondContact N-O 3.46Å; I121-I238 PolarHBondContact O-N 3.28Å
122	S	94.1	Very high	92.8	Very high	20 Å²	20	49.8 Å²	49.8	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.1	166.8	63.7	0	0	0	0	111.3	V113 T114 Y116 Y236	V113-S122 CarbonylContact C-O 3.56Å; V113-S122 VanDerWaalsContact CA-O 3.32Å; V113-S122 WeakPolarHBondContact CA-O 3.48Å; T114-S122 WeakPolarHBondContact CB-OG 3.19Å; T114-S122 PolarHBondContact N-O 3.06Å; T114-S122 PolarHBondContact O-N 3.38Å; Y116-S122 WeakPolarHBondContact CE2-OG 3.4Å; Y116-S122 PolarHBondContact OH-OG 3.27Å; S122-Y236 CarbonylContact C-O 3.46Å; S122-Y236 WeakPolarHBondContact CA-O 3.33Å
123	Y	93.8	Very high	92.9	Very high	3 Å²	3	52 Å²	52	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	167.1	178.7	76.4	-88.1	0	0	0	112.1	W65 K110 N125 A235 Y236 I238 D299	W65-Y123 AromaticContact CH2-CD1 3.53Å; W65-Y123 HydrophobicContact CH2-CD1 3.53Å; W65-Y123 HydrophobicContact CH2-CE1 4.08Å; W65-Y123 AromaticContact CH2-CG 3.83Å; W65-Y123 HydrophobicContact CH2-CG 3.83Å; W65-Y123 AromaticContact CZ2-CD1 3.5Å; W65-Y123 HydrophobicContact CZ2-CD1 3.5Å; W65-Y123 VanDerWaalsContact CZ2-CD1 3.5Å; W65-Y123 AromaticContact CZ2-CE1 3.53Å; W65-Y123 HydrophobicContact CZ2-CE1 3.53Å; W65-Y123 HydrophobicContact CZ2-CG 4.08Å; K110-Y123 HydrophobicContact CB-CD2 3.96Å; K110-Y123 HydrophobicContact CD-CD2 3.73Å; K110-Y123 HydrophobicContact CD-CE2 3.78Å; K110-Y123 HydrophobicContact CD-CG 4.21Å; K110-Y123 HydrophobicContact CG-CD2 3.82Å; K110-Y123 HydrophobicContact CG-CE2 4.03Å; K110-Y123 VanDerWaalsContact NZ-CE2 3.34Å; K110-Y123 PolarHBondContact NZ-OH 3.18Å; Y123-N125 WeakPolarHBondContact CE2-OD1 3.13Å; Y123-A235 CarbonylContact O-C 3.51Å; Y123-A235 WeakPolarHBondContact O-CA 3.37Å; Y123-Y236 HydrophobicContact CE1-CG 4.26Å; Y123-Y236 AromaticContact CE2-CD2 3.88Å; Y123-Y236 HydrophobicContact CE2-CD2 3.88Å; Y123-Y236 HydrophobicContact CE2-CG 4.34Å; Y123-Y236 AromaticContact CZ-CD2 3.93Å; Y123-Y236 AromaticContact CZ-CG 3.93Å; Y123-Y236 PolarHBondContact N-O 2.95Å; Y123-Y236 PolarHBondContact O-N 3.07Å; Y123-I238 HydrophobicContact CE1-CD1 4.23Å; Y123-I238 HydrophobicContact CE1-CG1 4.25Å; Y123-I238 HydrophobicContact CE1-CG2 4.06Å; Y123-D299 WeakPolarHBondContact CE1-OD2 3.23Å; Y123-D299 PolarHBondContact OH-OD2 2.94Å
124	Q	94.2	Very high	93.1	Very high	65 Å²	65	56.2 Å²	56.2	30%	0.304	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.5	166.9	-75.3	174.4	-39.4	0	0	110.5	K110 V111 L232 D233 A235	K110-Q124 CarbonylContact C-O 3.55Å; K110-Q124 VanDerWaalsContact CA-O 3.32Å; K110-Q124 WeakPolarHBondContact CA-O 3.27Å; V111-Q124 HydrophobicContact CG2-CB 4.14Å; V111-Q124 PolarHBondContact N-O 3.02Å; V111-Q124 PolarHBondContact O-N 2.77Å; Q124-L232 HydrophobicContact CB-CD2 4.26Å; Q124-D233 CarbonylContact C-O 3.56Å; Q124-D233 VanDerWaalsContact CA-O 3.28Å; Q124-D233 WeakPolarHBondContact CA-O 3.36Å; Q124-D233 WeakPolarHBondContact CB-O 3.19Å; Q124-A235 HydrophobicContact CG-CB 3.84Å
125	N	92.1	Very high	93.3	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.1	172.5	-77.7	-38.7	0	0	0	109.2	Y123 L232 D233	Y123-N125 WeakPolarHBondContact CE2-OD1 3.13Å; N125-L232 WeakPolarHBondContact O-CA 3.04Å; N125-D233 PolarHBondContact N-O 2.99Å; N125-D233 PolarHBondContact O-N 2.81Å
126	F	95	Very high	93.6	Very high	38 Å²	38	53.1 Å²	53.1	17%	0.167	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.5	168.3	-178.5	-102.1	0	0	0	109.3	Q108 R109 V111 W128 F230 T231 L232	Q108-F126 VanDerWaalsContact CA-O 3.26Å; Q108-F126 WeakPolarHBondContact CA-O 3.34Å; R109-F126 HydrophobicContact CG-CB 4.16Å; R109-F126 HydrophobicContact CG-CD1 4.21Å; R109-F126 PolarHBondContact N-O 2.89Å; R109-F126 PolarHBondContact O-N 2.78Å; V111-F126 HydrophobicContact CG1-CB 4.07Å; V111-F126 HydrophobicContact CG2-CB 4.16Å; F126-W128 AromaticContact CD1-CE3 3.74Å; F126-W128 HydrophobicContact CD1-CE3 3.74Å; F126-W128 AromaticContact CD1-CZ3 3.9Å; F126-W128 HydrophobicContact CD1-CZ3 3.9Å; F126-W128 HydrophobicContact CE1-CD2 4.38Å; F126-W128 AromaticContact CE1-CE3 3.6Å; F126-W128 HydrophobicContact CE1-CE3 3.6Å; F126-W128 HydrophobicContact CE1-CZ3 4Å; F126-F230 WeakPolarHBondContact CE2-O 3.3Å; F126-F230 HydrophobicContact CZ-CB 4.25Å; F126-F230 HydrophobicContact CZ-CD1 4.07Å; F126-T231 WeakPolarHBondContact CA-O 3.13Å; F126-L232 HydrophobicContact CB-CD2 3.82Å; F126-L232 HydrophobicContact CD2-CD2 3.79Å; F126-L232 HydrophobicContact CD2-CG 4.35Å; F126-L232 HydrophobicContact CG-CD2 4.3Å
127	K	93.5	Very high	93.9	Very high	46 Å²	46	50 Å²	50	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.2	-178	-65.8	-155.5	168.8	-155.4	0	112.6	E106 H107 Q108 F129 F230 T231	E106-K127 WeakPolarHBondContact OE1-CD 3.47Å; E106-K127 WeakPolarHBondContact OE1-CE 3.49Å; E106-K127 IonicContact OE1-NZ 3.74Å; E106-K127 PolarHBondContact OE1-NZ 2.86Å; H107-K127 CarbonylContact O-C 3.56Å; H107-K127 WeakPolarHBondContact O-CA 3.34Å; Q108-K127 HydrophobicContact CB-CG 4Å; K127-F129 HydrophobicContact CB-CE2 4.44Å; K127-F230 VanDerWaalsContact O-CA 3.23Å; K127-F230 WeakPolarHBondContact O-CA 3.23Å; K127-F230 PolarHBondContact O-N 2.79Å; K127-T231 PolarHBondContact N-O 3.12Å; K127-T231 PolarHBondContact O-N 3.25Å
128	W	95.3	Very high	94.2	Very high	57 Å²	57	52.8 Å²	52.8	22%	0.216	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.2	165.5	76.4	100.6	0	0	0	112.5	H107 R109 F126 E130 N229 F230	H107-W128 HydrophobicContact CB-CD2 3.57Å; H107-W128 HydrophobicContact CB-CE3 3.81Å; H107-W128 HydrophobicContact CB-CG 4.25Å; H107-W128 HydrophobicContact CB-CH2 3.65Å; H107-W128 HydrophobicContact CB-CZ2 3.39Å; H107-W128 HydrophobicContact CB-CZ3 3.84Å; H107-W128 AromaticContact CD2-CE2 3.8Å; H107-W128 AromaticContact CD2-NE1 3.48Å; H107-W128 PolarHBondContact CD2-NE1 3.46Å; H107-W128 AromaticContact CG-CE2 3.9Å; H107-W128 AromaticContact CG-CZ2 3.9Å; H107-W128 PolarHBondContact N-O 3.03Å; H107-W128 PolarHBondContact O-N 3.14Å; R109-W128 HydrophobicContact CG-CZ3 4.49Å; F126-W128 AromaticContact CD1-CE3 3.74Å; F126-W128 HydrophobicContact CD1-CE3 3.74Å; F126-W128 AromaticContact CD1-CZ3 3.9Å; F126-W128 HydrophobicContact CD1-CZ3 3.9Å; F126-W128 HydrophobicContact CE1-CD2 4.38Å; F126-W128 AromaticContact CE1-CE3 3.6Å; F126-W128 HydrophobicContact CE1-CE3 3.6Å; F126-W128 HydrophobicContact CE1-CZ3 4Å; W128-E130 PolarHBondContact NE1-OE1 3.2Å; W128-N229 WeakPolarHBondContact CA-OD1 3.34Å; W128-N229 VanDerWaalsContact CB-OD1 3.29Å; W128-N229 WeakPolarHBondContact CB-OD1 3.4Å; W128-F230 HydrophobicContact CB-CD1 3.47Å; W128-F230 VanDerWaalsContact CB-CD1 3.47Å; W128-F230 HydrophobicContact CB-CD2 4.22Å; W128-F230 HydrophobicContact CB-CE1 3.49Å; W128-F230 VanDerWaalsContact CB-CE1 3.49Å; W128-F230 HydrophobicContact CB-CE2 4.24Å; W128-F230 HydrophobicContact CB-CG 3.85Å; W128-F230 HydrophobicContact CB-CZ 3.89Å; W128-F230 AromaticContact CD1-CE1 3.49Å; W128-F230 VanDerWaalsContact CD1-CE1 3.49Å; W128-F230 AromaticContact CD1-CZ 3.66Å; W128-F230 HydrophobicContact CD2-CE1 4.27Å; W128-F230 AromaticContact CG-CD1 3.89Å; W128-F230 HydrophobicContact CG-CD1 3.89Å; W128-F230 AromaticContact CG-CE1 3.48Å; W128-F230 HydrophobicContact CG-CE1 3.48Å; W128-F230 VanDerWaalsContact CG-CE1 3.48Å; W128-F230 AromaticContact CG-CZ 3.99Å; W128-F230 HydrophobicContact CG-CZ 3.99Å
129	F	96.1	Very high	94.5	Very high	13 Å²	13	58 Å²	58	6%	0.057	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.9	-171.3	-57	-92.3	0	0	0	110.6	M74 D105 E106 K127 F195 M225 N229	M74-F129 HydrophobicContact CE-CD1 4.13Å; M74-F129 HydrophobicContact CE-CE1 4.36Å; M74-F129 HydrophobicContact SD-CE1 4.21Å; D105-F129 WeakPolarHBondContact O-CA 3.48Å; E106-F129 HydrophobicContact CB-CD1 4.05Å; E106-F129 HydrophobicContact CB-CE1 4.07Å; E106-F129 HydrophobicContact CG-CD1 4.01Å; E106-F129 HydrophobicContact CG-CE1 3.65Å; E106-F129 HydrophobicContact CG-CZ 4.32Å; K127-F129 HydrophobicContact CB-CE2 4.44Å; F129-F195 HydrophobicContact CB-CE1 4.02Å; F129-F195 HydrophobicContact CB-CE2 4.41Å; F129-F195 HydrophobicContact CB-CZ 3.64Å; F129-F195 HydrophobicContact CD1-CZ 4.25Å; F129-F195 AromaticContact CD2-CE1 3.62Å; F129-F195 HydrophobicContact CD2-CE1 3.62Å; F129-F195 AromaticContact CD2-CZ 3.91Å; F129-F195 HydrophobicContact CD2-CZ 3.91Å; F129-F195 HydrophobicContact CE2-CE1 4.27Å; F129-F195 AromaticContact CG-CE1 3.89Å; F129-F195 HydrophobicContact CG-CE1 3.89Å; F129-F195 AromaticContact CG-CZ 3.68Å; F129-F195 HydrophobicContact CG-CZ 3.68Å; F129-M225 HydrophobicContact CE1-CE 4.25Å; F129-M225 HydrophobicContact CE2-CE 4.07Å; F129-M225 HydrophobicContact CZ-CE 3.73Å; F129-N229 HydrophobicContact CD2-CB 4.33Å; F129-N229 PolarHBondContact N-OD1 3.49Å; F129-N229 PolarHBondContact O-ND2 2.93Å; F129-N229 VanDerWaalsContact O-ND2 3.09Å
130	E	96.2	Very high	94.9	Very high	96 Å²	96	58.4 Å²	58.4	45%	0.449	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.1	-178.3	-61.6	-174.3	-147	0	0	109.8	F104 D105 H107 W128 N132	F104-E130 CarbonylContact C-O 3.09Å; F104-E130 WeakPolarHBondContact CA-O 3.36Å; D105-E130 PolarHBondContact N-O 2.02Å; D105-E130 PolarHBondContact O-N 3.08Å; H107-E130 IonicContact CD2-OE1 3.24Å; W128-E130 PolarHBondContact NE1-OE1 3.2Å; E130-N132 PolarHBondContact O-N 3.47Å
131	F	97	Very high	95.2	Very high	65 Å²	65	66.1 Å²	66.1	29%	0.285	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.4	-173	175.2	-110.8	0	0	0	112.1	G103 F104 T133 S136 L142	G103-F131 VanDerWaalsContact O-CD2 3.3Å; G103-F131 WeakPolarHBondContact O-CD2 3.46Å; F104-F131 HydrophobicContact CD1-CB 3.94Å; F104-F131 HydrophobicContact CD1-CD2 4.11Å; F104-F131 HydrophobicContact CE1-CB 3.88Å; F104-F131 AromaticContact CE1-CD2 3.72Å; F104-F131 HydrophobicContact CE1-CD2 3.72Å; F104-F131 HydrophobicContact CE1-CG 4.25Å; F104-F131 AromaticContact CZ-CD2 3.96Å; F104-F131 HydrophobicContact CZ-CD2 3.96Å; F131-T133 HydrophobicContact CD1-CG2 4.33Å; F131-T133 HydrophobicContact CE1-CG2 3.72Å; F131-T133 HydrophobicContact CZ-CG2 4.41Å; F131-S136 VanDerWaalsContact CE2-OG 3.23Å; F131-S136 WeakPolarHBondContact CE2-OG 3.4Å; F131-L142 HydrophobicContact CB-CD1 3.87Å; F131-L142 HydrophobicContact CB-CG 4.44Å; F131-L142 HydrophobicContact CD1-CD1 4Å; F131-L142 HydrophobicContact CD1-CG 3.95Å; F131-L142 HydrophobicContact CD2-CD1 4.24Å; F131-L142 HydrophobicContact CD2-CD2 3.68Å; F131-L142 HydrophobicContact CD2-CG 3.88Å; F131-L142 HydrophobicContact CE1-CG 4.14Å; F131-L142 HydrophobicContact CE2-CD2 3.9Å; F131-L142 HydrophobicContact CE2-CG 4.08Å; F131-L142 HydrophobicContact CG-CD1 3.76Å; F131-L142 HydrophobicContact CG-CD2 4.08Å; F131-L142 HydrophobicContact CG-CG 3.81Å; F131-L142 HydrophobicContact CZ-CD2 4.47Å; F131-L142 HydrophobicContact CZ-CG 4.21Å
132	N	96.9	Very high	95.4	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.134	31%	0.314	C	S	.	.			trans	-111.6	112.3	-174.1	-172.6	-36.2	0	0	0	111.2	G103 D105 E130 T134 K135 S136	G103-N132 PolarHBondContact O-N 3.15Å; D105-N132 VanDerWaalsContact CG-ND2 3.34Å; D105-N132 PolarHBondContact OD1-ND2 2.88Å; D105-N132 VanDerWaalsContact OD1-ND2 3.16Å; D105-N132 WeakPolarHBondContact OD2-CB 3.49Å; D105-N132 PolarHBondContact OD2-ND2 3.01Å; E130-N132 PolarHBondContact O-N 3.47Å; N132-T134 VanDerWaalsContact C-N 3.32Å; N132-T134 PolarHBondContact O-N 3.03Å; N132-T134 WeakPolarHBondContact OD1-CA 3.28Å; N132-T134 PolarHBondContact OD1-N 3.25Å; N132-T134 PolarHBondContact OD1-OG1 2.66Å; N132-K135 HydrophobicContact CB-CB 4.19Å; N132-K135 HydrophobicContact CB-CD 4.37Å; N132-K135 HydrophobicContact CB-CG 4.38Å; N132-K135 PolarHBondContact O-N 3.16Å; N132-K135 PolarHBondContact OD1-N 2.9Å; N132-K135 VanDerWaalsContact OD1-N 3.15Å; N132-S136 WeakPolarHBondContact O-CB 3.43Å; N132-S136 PolarHBondContact O-N 2.71Å; N132-S136 PolarHBondContact O-OG 3.11Å
133	T	95.8	Very high	95.6	Very high	102 Å²	102	71 Å²	71	63%	0.626	33%	0.333	S	S	*	.	S	Bend	trans	-70.3	-21.6	-179.7	51.5	0	0	0	0	114.2	F131	F131-T133 HydrophobicContact CD1-CG2 4.33Å; F131-T133 HydrophobicContact CE1-CG2 3.72Å; F131-T133 HydrophobicContact CZ-CG2 4.41Å
134	T	96.1	Very high	95.7	Very high	121 Å²	121	73 Å²	73	74%	0.742	34%	0.344	S	S	*	.	S	Bend	trans	-84.1	-28.2	177.4	74.1	0	0	0	0	112.2	N132 S136	N132-T134 VanDerWaalsContact C-N 3.32Å; N132-T134 PolarHBondContact O-N 3.03Å; N132-T134 WeakPolarHBondContact OD1-CA 3.28Å; N132-T134 PolarHBondContact OD1-N 3.25Å; N132-T134 PolarHBondContact OD1-OG1 2.66Å; T134-S136 VanDerWaalsContact C-N 3.31Å
135	K	96.1	Very high	95.9	Very high	59 Å²	59	75.5 Å²	75.5	26%	0.257	36%	0.359	S	S	.	.	S	Bend	trans	-84.6	-3.4	170.6	-62.8	-178.8	178.7	176	0	113.4	S73 Q75 D105 N132	S73-K135 PolarHBondContact OG-NZ 2.89Å; Q75-K135 PolarHBondContact NE2-O 2.82Å; D105-K135 WeakPolarHBondContact OD1-CD 3.29Å; D105-K135 VanDerWaalsContact OD1-CE 3.26Å; D105-K135 WeakPolarHBondContact OD1-CE 3.22Å; D105-K135 IonicContact OD1-NZ 2.87Å; D105-K135 PolarHBondContact OD1-NZ 2.9Å; N132-K135 HydrophobicContact CB-CB 4.19Å; N132-K135 HydrophobicContact CB-CD 4.37Å; N132-K135 HydrophobicContact CB-CG 4.38Å; N132-K135 PolarHBondContact O-N 3.16Å; N132-K135 PolarHBondContact OD1-N 2.9Å; N132-K135 VanDerWaalsContact OD1-N 3.15Å
136	S	97.6	Very high	96.2	Very high	13 Å²	13	75 Å²	75	9%	0.091	36%	0.357	C	S	.	.	S	Bend	trans	-98.5	163.5	176.8	-62.9	0	0	0	0	112.3	P101 G103 F131 N132 T134	P101-S136 CarbonylContact O-C 3.55Å; P101-S136 VanDerWaalsContact O-CA 3.28Å; P101-S136 WeakPolarHBondContact O-CA 3.42Å; G103-S136 PolarHBondContact N-OG 2.94Å; F131-S136 VanDerWaalsContact CE2-OG 3.23Å; F131-S136 WeakPolarHBondContact CE2-OG 3.4Å; N132-S136 WeakPolarHBondContact O-CB 3.43Å; N132-S136 PolarHBondContact O-N 2.71Å; N132-S136 PolarHBondContact O-OG 3.11Å; T134-S136 VanDerWaalsContact C-N 3.31Å
137	C	96.1	Very high	96.4	Very high	41 Å²	41	74.5 Å²	74.5	28%	0.277	36%	0.356	S	S	.	.			trans	-64.8	147.1	171.4	94.1	0	0	0	0	111.5	G100 P101 R139 C140	G100-C137 WeakPolarHBondContact O-CB 3.29Å; P101-C137 PolarHBondContact O-N 2.85Å; C137-R139 PolarHBondContact O-N 2.73Å; C137-C140 HydrophobicContact CB-CB 4.02Å; C137-C140 WeakPolarHBondContact CB-SG 3.46Å; C137-C140 WeakPolarHBondContact O-CB 3.17Å; C137-C140 PolarHBondContact O-N 3.17Å; C137-C140 WeakPolarHBondContact SG-CB 3.43Å; C137-C140 PolarHBondContact SG-N 3.01Å; C137-C140 CovalentContact SG-SG 2.04Å; C137-C140 PolarHBondContact SG-SG 3.48Å
138	R	94.8	Very high	96.6	Very high	233 Å²	233	72.4 Å²	72.4	88%	0.879	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.5	-172.4	-167.1	177	73.3	114.7	-7.1	115.9
139	R	93.9	Very high	96.7	Very high	204 Å²	204	69.7 Å²	69.7	77%	0.77	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-9.7	177.4	-71.3	-178.7	174.6	161.3	-3.1	113.9	C137	C137-R139 PolarHBondContact O-N 2.73Å
140	C	96.1	Very high	96.7	Very high	10 Å²	10	69.1 Å²	69.1	7%	0.068	34%	0.335	C	S	.	.			trans	-67.2	132.2	-173.2	-75.2	0	0	0	0	111.3	P101 Y102 C137 D144	P101-C140 PolarHBondContact O-SG 2.8Å; Y102-C140 HydrophobicContact CD1-CB 3.79Å; Y102-C140 HydrophobicContact CE1-CB 3.51Å; C137-C140 HydrophobicContact CB-CB 4.02Å; C137-C140 WeakPolarHBondContact CB-SG 3.46Å; C137-C140 WeakPolarHBondContact O-CB 3.17Å; C137-C140 PolarHBondContact O-N 3.17Å; C137-C140 WeakPolarHBondContact SG-CB 3.43Å; C137-C140 PolarHBondContact SG-N 3.01Å; C137-C140 CovalentContact SG-SG 2.04Å; C137-C140 PolarHBondContact SG-SG 3.48Å; C140-D144 WeakPolarHBondContact CA-OD2 3.41Å
141	R	96.5	Very high	96.6	Very high	166 Å²	166	64.8 Å²	64.8	63%	0.626	32%	0.315	S	S	*	.			trans	-135.9	146.8	175.5	-57.2	177.7	176.4	-159.7	-3.9	110.1	Y102 S143 D144	Y102-R141 WeakPolarHBondContact CE1-O 3.47Å; R141-S143 WeakPolarHBondContact CB-OG 3.26Å; R141-S143 PolarHBondContact O-N 3.15Å; R141-D144 PolarHBondContact N-OD2 3.09Å; R141-D144 VanDerWaalsContact O-CB 3.28Å; R141-D144 WeakPolarHBondContact O-CB 3.32Å; R141-D144 PolarHBondContact O-N 3.3Å
142	L	96.4	Very high	96.4	Very high	46 Å²	46	61.8 Å²	61.8	24%	0.241	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.8	172.9	-71.7	-173.6	0	0	0	114.5	F104 F131 I190 D191	F104-L142 HydrophobicContact CE1-CD2 4.01Å; F104-L142 HydrophobicContact CZ-CD2 3.75Å; F131-L142 HydrophobicContact CB-CD1 3.87Å; F131-L142 HydrophobicContact CB-CG 4.44Å; F131-L142 HydrophobicContact CD1-CD1 4Å; F131-L142 HydrophobicContact CD1-CG 3.95Å; F131-L142 HydrophobicContact CD2-CD1 4.24Å; F131-L142 HydrophobicContact CD2-CD2 3.68Å; F131-L142 HydrophobicContact CD2-CG 3.88Å; F131-L142 HydrophobicContact CE1-CG 4.14Å; F131-L142 HydrophobicContact CE2-CD2 3.9Å; F131-L142 HydrophobicContact CE2-CG 4.08Å; F131-L142 HydrophobicContact CG-CD1 3.76Å; F131-L142 HydrophobicContact CG-CD2 4.08Å; F131-L142 HydrophobicContact CG-CG 3.81Å; F131-L142 HydrophobicContact CZ-CD2 4.47Å; F131-L142 HydrophobicContact CZ-CG 4.21Å; L142-I190 HydrophobicContact CD2-CG2 4.34Å; L142-I190 PolarHBondContact O-N 2.98Å; L142-D191 HydrophobicContact CB-CB 3.9Å; L142-D191 HydrophobicContact CD1-CB 4.37Å; L142-D191 HydrophobicContact CD2-CB 4.31Å; L142-D191 HydrophobicContact CG-CB 4.42Å; L142-D191 PolarHBondContact O-N 3.24Å; L142-D191 VanDerWaalsContact O-N 3.15Å
143	S	97.2	Very high	96.3	Very high	77 Å²	77	60.7 Å²	60.7	54%	0.538	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.9	174.4	57.2	0	0	0	0	115	R141	R141-S143 WeakPolarHBondContact CB-OG 3.26Å; R141-S143 PolarHBondContact O-N 3.15Å
144	D	97.7	Very high	96.2	Very high	46 Å²	46	56 Å²	56	25%	0.246	27%	0.267	C	S	.	.			trans	-63.2	138.1	-174.9	-65.6	-17.1	0	0	0	110.5	Y102 C140 R141 S189 I190	Y102-D144 HydrophobicContact CE1-CB 4.47Å; Y102-D144 WeakPolarHBondContact OH-CB 3.39Å; Y102-D144 PolarHBondContact OH-OD2 3.44Å; C140-D144 WeakPolarHBondContact CA-OD2 3.41Å; R141-D144 PolarHBondContact N-OD2 3.09Å; R141-D144 VanDerWaalsContact O-CB 3.28Å; R141-D144 WeakPolarHBondContact O-CB 3.32Å; R141-D144 PolarHBondContact O-N 3.3Å; D144-S189 CarbonylContact O-C 3.56Å; D144-S189 VanDerWaalsContact O-CA 3.24Å; D144-S189 WeakPolarHBondContact O-CA 3.14Å; D144-I190 HydrophobicContact CB-CG1 4.28Å; D144-I190 PolarHBondContact O-N 2.89Å
145	L	98.2	Very high	96	Very high	116 Å²	116	51.5 Å²	51.5	61%	0.607	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.1	-176	-63	178.4	0	0	0	111.1	T187 K188	L145-T187 HydrophobicContact CB-CG2 4.09Å; L145-K188 WeakPolarHBondContact CA-O 3.5Å
146	V	98	Very high	95.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.1	171.6	-63	0	0	0	0	110.8	F78 N80 V99 V148 T187 K188 I190 L193	F78-V146 HydrophobicContact CB-CG1 4.39Å; F78-V146 HydrophobicContact CB-CG2 4.2Å; F78-V146 HydrophobicContact CD1-CG2 3.95Å; F78-V146 HydrophobicContact CG-CG2 4.17Å; N80-V146 HydrophobicContact CB-CB 4.23Å; N80-V146 HydrophobicContact CB-CG1 4.13Å; V99-V146 HydrophobicContact CB-CG1 4.36Å; V99-V146 HydrophobicContact CG2-CG1 4.22Å; V146-V148 HydrophobicContact CG2-CG1 4.19Å; V146-T187 WeakPolarHBondContact O-CA 3.49Å; V146-K188 PolarHBondContact N-O 3.02Å; V146-K188 PolarHBondContact O-N 3.41Å; V146-I190 HydrophobicContact CG1-CD1 4.01Å; V146-I190 HydrophobicContact CG2-CD1 3.85Å; V146-L193 HydrophobicContact CG2-CD1 3.43Å; V146-L193 VanDerWaalsContact CG2-CD1 3.43Å
147	T	98.5	Very high	95.3	Very high	27 Å²	27	49.1 Å²	49.1	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.6	179.1	-59.1	0	0	0	0	109.8	N80 I81 V84 F185 I186 T187	N80-T147 PolarHBondContact OD1-N 3.05Å; I81-T147 PolarHBondContact N-O 2.92Å; V84-T147 HydrophobicContact CG2-CG2 3.8Å; T147-F185 HydrophobicContact CG2-CB 4.33Å; T147-I186 WeakPolarHBondContact CA-O 3.43Å; T147-T187 PolarHBondContact OG1-OG1 3.15Å
148	V	98.1	Very high	95	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166.3	-172.8	-64.9	0	0	0	0	110.4	F78 V146 F185 I186 L193 V471	F78-V148 HydrophobicContact CD1-CG1 4.18Å; V146-V148 HydrophobicContact CG2-CG1 4.19Å; V148-F185 CarbonylContact O-C 3.45Å; V148-F185 VanDerWaalsContact O-CA 3.27Å; V148-F185 WeakPolarHBondContact O-CA 3.36Å; V148-I186 HydrophobicContact CG2-CG2 4.12Å; V148-I186 PolarHBondContact N-O 3.08Å; V148-I186 PolarHBondContact O-N 3.22Å; V148-L193 HydrophobicContact CG1-CD1 4.32Å; V148-L193 HydrophobicContact CG2-CD1 3.96Å; V148-L193 HydrophobicContact CG2-CD2 3.81Å; V148-V471 HydrophobicContact CB-CG1 3.89Å; V148-V471 HydrophobicContact CG1-CG1 3.81Å
149	P	97.5	Very high	94.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	137.8	172.9	-21.9	35.2	0	0	0	111.5	I81 V151 A184 F185 V450 M452 M469 V471	I81-P149 HydrophobicContact CD1-CG 4.25Å; P149-V151 PolarHBondContact O-N 2.86Å; P149-V151 VanDerWaalsContact O-N 3.07Å; P149-A184 WeakPolarHBondContact CA-O 3.35Å; P149-F185 HydrophobicContact CB-CD1 4.47Å; P149-F185 HydrophobicContact CG-CD1 4.43Å; P149-F185 HydrophobicContact CG-CE1 4.3Å; P149-V450 HydrophobicContact CB-CB 4.16Å; P149-V450 HydrophobicContact CB-CG1 4.14Å; P149-V450 HydrophobicContact CB-CG2 4.31Å; P149-V450 HydrophobicContact CG-CB 4.27Å; P149-M452 HydrophobicContact CB-SD 4.02Å; P149-M452 HydrophobicContact CG-SD 3.98Å; P149-M469 HydrophobicContact CG-CB 3.98Å; P149-M469 HydrophobicContact CG-CG 3.73Å; P149-V471 HydrophobicContact CG-CG2 4.03Å
150	N	96.2	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.			trans	-72	102.2	171.7	-179.5	-29.8	0	0	0	108.6	P152 F153 W154 E182 G183 A184 I186 D200	N150-P152 WeakPolarHBondContact OD1-CB 3.45Å; N150-P152 WeakPolarHBondContact OD1-CD 3.17Å; N150-P152 VanDerWaalsContact OD1-N 3.14Å; N150-F153 HydrophobicContact CB-CB 3.69Å; N150-F153 WeakPolarHBondContact O-CB 3.39Å; N150-F153 PolarHBondContact O-N 3.01Å; N150-F153 PolarHBondContact OD1-N 3.47Å; N150-W154 PolarHBondContact O-N 3.23Å; N150-E182 PolarHBondContact ND2-OE2 2.86Å; N150-G183 VanDerWaalsContact CB-O 3.27Å; N150-G183 WeakPolarHBondContact CB-O 3.32Å; N150-A184 PolarHBondContact N-O 2.88Å; N150-I186 HydrophobicContact CB-CB 4.14Å; N150-I186 HydrophobicContact CB-CG2 4.23Å; N150-D200 PolarHBondContact ND2-OD2 2.78Å; N150-D200 PolarHBondContact OD1-OD2 3.16Å
151	V	94.7	Very high	93.9	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-45.8	-178.4	178.1	0	0	0	0	112.3	P149 F153 W154 T155 M222 F224 A396 I398 V450	P149-V151 PolarHBondContact O-N 2.86Å; P149-V151 VanDerWaalsContact O-N 3.07Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 3.07Å; V151-W154 PolarHBondContact O-N 2.84Å; V151-T155 VanDerWaalsContact O-CB 3.32Å; V151-T155 WeakPolarHBondContact O-CB 3.28Å; V151-T155 PolarHBondContact O-N 2.85Å; V151-T155 PolarHBondContact O-OG1 2.86Å; V151-M222 HydrophobicContact CB-CE 3.92Å; V151-M222 HydrophobicContact CB-CG 4.49Å; V151-M222 HydrophobicContact CB-SD 4.23Å; V151-M222 HydrophobicContact CG1-CE 3.87Å; V151-M222 HydrophobicContact CG1-SD 4.11Å; V151-M222 HydrophobicContact CG2-CE 4.09Å; V151-F224 HydrophobicContact CG2-CE1 4.14Å; V151-F224 HydrophobicContact CG2-CZ 3.83Å; V151-A396 HydrophobicContact CG1-CB 4.34Å; V151-I398 HydrophobicContact CG1-CD1 4.17Å; V151-V450 HydrophobicContact CG2-CG2 3.83Å
152	P	92.6	Very high	93.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-49.8	-46	168.1	-30.1	32.5	0	0	0	114.6	N150 T155 L156 Y198 D200 I202 F203 M222	N150-P152 WeakPolarHBondContact OD1-CB 3.45Å; N150-P152 WeakPolarHBondContact OD1-CD 3.17Å; N150-P152 VanDerWaalsContact OD1-N 3.14Å; P152-T155 PolarHBondContact O-N 3.06Å; P152-L156 WeakPolarHBondContact O-CB 3.42Å; P152-L156 PolarHBondContact O-N 2.87Å; P152-Y198 HydrophobicContact CG-CE2 4.41Å; P152-D200 HydrophobicContact CB-CB 4.23Å; P152-D200 HydrophobicContact CG-CB 3.98Å; P152-I202 HydrophobicContact CB-CB 4.13Å; P152-I202 HydrophobicContact CB-CD1 4.13Å; P152-I202 HydrophobicContact CB-CG2 4.17Å; P152-F203 HydrophobicContact CB-CE1 4.24Å; P152-F203 HydrophobicContact CB-CZ 4.26Å; P152-F203 HydrophobicContact CG-CE1 4.13Å; P152-F203 HydrophobicContact CG-CE2 4.11Å; P152-F203 HydrophobicContact CG-CZ 3.66Å; P152-M222 HydrophobicContact CG-CB 4.02Å; P152-M222 HydrophobicContact CG-CG 4.22Å
153	F	94	Very high	92.6	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-50.3	177.5	-179.7	-76.7	0	0	0	111.7	N150 V151 T155 L156 L157 L177 G183 A184 I202 F458 T460 V461	N150-F153 HydrophobicContact CB-CB 3.69Å; N150-F153 WeakPolarHBondContact O-CB 3.39Å; N150-F153 PolarHBondContact O-N 3.01Å; N150-F153 PolarHBondContact OD1-N 3.47Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 3.07Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.16Å; F153-L156 PolarHBondContact O-N 2.9Å; F153-L157 PolarHBondContact O-N 2.92Å; F153-L177 HydrophobicContact CD2-CD1 3.82Å; F153-L177 HydrophobicContact CE2-CD1 3.88Å; F153-G183 WeakPolarHBondContact CD2-O 3.43Å; F153-A184 HydrophobicContact CD1-CB 4.12Å; F153-A184 HydrophobicContact CE1-CB 3.79Å; F153-A184 HydrophobicContact CZ-CB 4.13Å; F153-I202 HydrophobicContact CB-CD1 3.85Å; F153-F458 HydrophobicContact CE1-CE1 4.27Å; F153-F458 AromaticContact CE2-CE1 3.72Å; F153-F458 HydrophobicContact CE2-CE1 3.72Å; F153-F458 AromaticContact CZ-CD1 3.83Å; F153-F458 HydrophobicContact CZ-CD1 3.83Å; F153-F458 AromaticContact CZ-CE1 3.44Å; F153-F458 HydrophobicContact CZ-CE1 3.44Å; F153-F458 VanDerWaalsContact CZ-CE1 3.44Å; F153-F458 HydrophobicContact CZ-CZ 4.5Å; F153-T460 HydrophobicContact CE2-CG2 4.36Å; F153-T460 HydrophobicContact CZ-CG2 4.15Å; F153-V461 HydrophobicContact CE1-CG1 3.71Å; F153-V461 HydrophobicContact CZ-CG1 3.95Å
154	W	94	Very high	92	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-33.5	179.5	-70.5	113.5	0	0	0	112.2	N150 V151 L157 H158 A184 P397 V450 M452 V453 V461 M464	N150-W154 PolarHBondContact O-N 3.23Å; V151-W154 PolarHBondContact O-N 2.84Å; W154-L157 HydrophobicContact CE3-CD2 4.02Å; W154-L157 HydrophobicContact CZ3-CD2 3.71Å; W154-H158 VanDerWaalsContact O-CB 3.27Å; W154-H158 WeakPolarHBondContact O-CB 3.49Å; W154-H158 PolarHBondContact O-N 3.33Å; W154-A184 HydrophobicContact CZ2-CB 3.73Å; W154-A184 PolarHBondContact NE1-O 2.96Å; W154-P397 HydrophobicContact CB-CG 3.74Å; W154-V450 HydrophobicContact CB-CG1 3.94Å; W154-V450 HydrophobicContact CG-CG1 3.88Å; W154-M452 HydrophobicContact CD2-CB 4.26Å; W154-M452 HydrophobicContact CD2-CG 4.07Å; W154-M452 HydrophobicContact CE3-CB 4.32Å; W154-M452 HydrophobicContact CH2-CB 3.64Å; W154-M452 HydrophobicContact CH2-CG 4.23Å; W154-M452 HydrophobicContact CZ2-CB 3.55Å; W154-M452 HydrophobicContact CZ2-CG 3.63Å; W154-M452 HydrophobicContact CZ2-SD 3.58Å; W154-M452 VanDerWaalsContact CZ2-SD 3.58Å; W154-M452 HydrophobicContact CZ3-CB 4.05Å; W154-V453 WeakPolarHBondContact CZ3-O 3.48Å; W154-V461 HydrophobicContact CH2-CB 4.06Å; W154-V461 HydrophobicContact CH2-CG1 3.5Å; W154-V461 HydrophobicContact CZ2-CG1 3.98Å; W154-V461 HydrophobicContact CZ3-CG1 4.18Å; W154-M464 HydrophobicContact CH2-CE 3.82Å; W154-M464 HydrophobicContact CH2-SD 3.66Å; W154-M464 HydrophobicContact CZ2-CE 3.91Å; W154-M464 HydrophobicContact CZ2-SD 3.96Å
155	T	91	Very high	91.5	Very high	26 Å²	26	26.3 Å²	26.3	16%	0.16	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-46.5	173.2	-55.7	0	0	0	0	112	V151 P152 F153 H158 K159 A396	V151-T155 VanDerWaalsContact O-CB 3.32Å; V151-T155 WeakPolarHBondContact O-CB 3.28Å; V151-T155 PolarHBondContact O-N 2.85Å; V151-T155 PolarHBondContact O-OG1 2.86Å; P152-T155 PolarHBondContact O-N 3.06Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.16Å; T155-H158 PolarHBondContact O-N 2.91Å; T155-K159 PolarHBondContact O-N 3.33Å; T155-A396 HydrophobicContact CG2-CB 4.14Å; T155-A396 WeakPolarHBondContact OG1-CA 3.29Å; T155-A396 VanDerWaalsContact OG1-CB 3.24Å; T155-A396 WeakPolarHBondContact OG1-CB 3.33Å
156	L	89.5	Confident	91.1	Very high	22 Å²	22	27 Å²	27	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-46.1	176.4	174.3	60.7	0	0	0	111.1	P152 F153 K159 L160 I173 L177 I202 L212	P152-L156 WeakPolarHBondContact O-CB 3.42Å; P152-L156 PolarHBondContact O-N 2.87Å; F153-L156 PolarHBondContact O-N 2.9Å; L156-K159 PolarHBondContact O-N 3.17Å; L156-L160 HydrophobicContact CD1-CD1 4Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.95Å; L156-L160 HydrophobicContact CG-CG 4.49Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 VanDerWaalsContact O-CG 3.24Å; L156-L160 WeakPolarHBondContact O-CG 3.09Å; L156-L160 PolarHBondContact O-N 2.88Å; L156-I173 HydrophobicContact CD2-CG2 3.99Å; L156-L177 HydrophobicContact CD2-CD1 4.16Å; L156-I202 HydrophobicContact CB-CG2 3.94Å; L156-I202 HydrophobicContact CD2-CG1 4.3Å; L156-I202 HydrophobicContact CD2-CG2 3.92Å; L156-I202 HydrophobicContact CG-CG2 4.48Å; L156-L212 HydrophobicContact CD1-CD1 4.5Å
157	L	91.1	Very high	90.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-42.9	177.8	-179.8	57	0	0	0	112	F153 W154 L160 R161 D455 F458 V461	F153-L157 PolarHBondContact O-N 2.92Å; W154-L157 HydrophobicContact CE3-CD2 4.02Å; W154-L157 HydrophobicContact CZ3-CD2 3.71Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-R161 HydrophobicContact CD1-CG 4.26Å; L157-R161 WeakPolarHBondContact O-CG 3.3Å; L157-R161 PolarHBondContact O-N 2.87Å; L157-D455 HydrophobicContact CD1-CB 4.07Å; L157-D455 HydrophobicContact CD2-CB 4.39Å; L157-F458 HydrophobicContact CD1-CB 4.15Å; L157-F458 HydrophobicContact CD1-CD2 3.7Å; L157-F458 HydrophobicContact CD1-CE2 4.26Å; L157-F458 HydrophobicContact CD1-CG 3.93Å; L157-V461 HydrophobicContact CD2-CG2 3.66Å
158	H	89.2	Confident	90.6	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.065	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.5	-174.1	71.9	0	0	0	112.2	W154 T155 R161 R162 D395 P397	W154-H158 VanDerWaalsContact O-CB 3.27Å; W154-H158 WeakPolarHBondContact O-CB 3.49Å; W154-H158 PolarHBondContact O-N 3.33Å; T155-H158 PolarHBondContact O-N 2.91Å; H158-R161 PolarHBondContact O-N 2.86Å; H158-R162 PolarHBondContact CE1-NE 3.27Å; H158-R162 VanDerWaalsContact NE2-CD 3.34Å; H158-R162 WeakPolarHBondContact NE2-CD 3.18Å; H158-R162 PolarHBondContact NE2-NE 2.91Å; H158-R162 PolarHBondContact NE2-NH1 3.07Å; H158-R162 PolarHBondContact NE2-NH2 2.86Å; H158-R162 PolarHBondContact O-N 2.55Å; H158-D395 PolarHBondContact CD2-O 3.45Å; H158-D395 VanDerWaalsContact CD2-O 3.23Å; H158-D395 IonicContact NE2-OD1 2.89Å; H158-P397 HydrophobicContact CB-CB 4.38Å; H158-P397 HydrophobicContact CB-CG 4.32Å
159	K	86.8	Confident	90.2	Very high	35 Å²	35	39.7 Å²	39.7	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-44.4	173.9	-73.3	-167.7	177.7	-170.9	0	112.1	T155 L156 R161 R162 A163 S213 T216 M394 D395	T155-K159 PolarHBondContact O-N 3.33Å; L156-K159 PolarHBondContact O-N 3.17Å; K159-R161 VanDerWaalsContact C-N 3.29Å; K159-R161 PolarHBondContact O-N 3.3Å; K159-R162 PolarHBondContact O-N 3.4Å; K159-A163 VanDerWaalsContact O-CB 3.27Å; K159-A163 WeakPolarHBondContact O-CB 3.37Å; K159-A163 PolarHBondContact O-N 2.99Å; K159-S213 PolarHBondContact NZ-OG 2.89Å; K159-T216 PolarHBondContact NZ-OG1 2.92Å; K159-M394 WeakPolarHBondContact CE-O 3.36Å; K159-D395 HydrophobicContact CG-CB 4.35Å
160	L	87.1	Confident	89.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-38.1	176.4	-74.8	169.1	0	0	0	112.4	L156 L157 S165 F169 I173 L212 F458	L156-L160 HydrophobicContact CD1-CD1 4Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.95Å; L156-L160 HydrophobicContact CG-CG 4.49Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 VanDerWaalsContact O-CG 3.24Å; L156-L160 WeakPolarHBondContact O-CG 3.09Å; L156-L160 PolarHBondContact O-N 2.88Å; L157-L160 PolarHBondContact O-N 2.98Å; L160-S165 WeakPolarHBondContact CD2-OG 3.46Å; L160-S165 WeakPolarHBondContact O-CB 3.46Å; L160-S165 PolarHBondContact O-N 3.39Å; L160-S165 PolarHBondContact O-OG 2.93Å; L160-F169 HydrophobicContact CD2-CD1 4.05Å; L160-F169 HydrophobicContact CD2-CE1 3.66Å; L160-I173 HydrophobicContact CD1-CG2 4.18Å; L160-L212 HydrophobicContact CD2-CD1 4.33Å; L160-L212 HydrophobicContact CD2-CD2 3.71Å; L160-F458 HydrophobicContact CD1-CE2 3.98Å
161	R	87	Confident	89.7	Confident	62 Å²	62	44.3 Å²	44.3	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-53.5	174.5	-72.8	177.9	67.8	102	-10	112	L157 H158 K159 A163 G164 D364 Q454 D455	L157-R161 HydrophobicContact CD1-CG 4.26Å; L157-R161 WeakPolarHBondContact O-CG 3.3Å; L157-R161 PolarHBondContact O-N 2.87Å; H158-R161 PolarHBondContact O-N 2.86Å; K159-R161 VanDerWaalsContact C-N 3.29Å; K159-R161 PolarHBondContact O-N 3.3Å; R161-A163 VanDerWaalsContact C-N 3.25Å; R161-A163 PolarHBondContact O-N 2.93Å; R161-G164 PolarHBondContact O-N 2.88Å; R161-D364 IonicContact CZ-OD1 2.56Å; R161-D364 IonicContact CZ-OD2 3.97Å; R161-D364 IonicContact NE-OD1 2.74Å; R161-D364 IonicContact NE-OD2 2.88Å; R161-D364 PolarHBondContact NE-OD2 3.45Å; R161-D364 IonicContact NH2-OD1 3.46Å; R161-D364 PolarHBondContact NH2-OD1 3.46Å; R161-D364 IonicContact NH2-OD2 3.85Å; R161-D364 PolarHBondContact NH2-OD2 3.22Å; R161-Q454 PolarHBondContact NH1-O 2.75Å; R161-D455 WeakPolarHBondContact CG-OD2 3.25Å; R161-D455 IonicContact CZ-OD2 3.09Å; R161-D455 IonicContact NH1-OD2 3.13Å; R161-D455 PolarHBondContact NH1-OD2 2.9Å
162	R	82.6	Confident	89.5	Confident	90 Å²	90	50.4 Å²	50.4	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-58.7	-34.1	178.6	-80.9	-170.2	163.7	175.1	-4	113.1	H158 K159 G164 D395	H158-R162 PolarHBondContact CE1-NE 3.27Å; H158-R162 VanDerWaalsContact NE2-CD 3.34Å; H158-R162 WeakPolarHBondContact NE2-CD 3.18Å; H158-R162 PolarHBondContact NE2-NE 2.91Å; H158-R162 PolarHBondContact NE2-NH1 3.07Å; H158-R162 PolarHBondContact NE2-NH2 2.86Å; H158-R162 PolarHBondContact O-N 2.55Å; K159-R162 PolarHBondContact O-N 3.4Å; R162-G164 PolarHBondContact O-N 2.84Å; R162-D395 IonicContact CZ-OD1 2.79Å; R162-D395 IonicContact NH1-OD1 2.65Å; R162-D395 PolarHBondContact NH1-OD1 3.36Å
163	A	84.2	Confident	89.4	Confident	69 Å²	69	50.4 Å²	50.4	57%	0.57	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	0.8	175.7	0	0	0	0	0	114.6	K159 R161 S165	K159-A163 VanDerWaalsContact O-CB 3.27Å; K159-A163 WeakPolarHBondContact O-CB 3.37Å; K159-A163 PolarHBondContact O-N 2.99Å; R161-A163 VanDerWaalsContact C-N 3.25Å; R161-A163 PolarHBondContact O-N 2.93Å; A163-S165 PolarHBondContact O-N 2.87Å
164	G	84.7	Confident	89.3	Confident	61 Å²	61	50.4 Å²	50.4	63%	0.629	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	26.2	-177.9	0	0	0	0	0	113.9	R161 R162 L166	R161-G164 PolarHBondContact O-N 2.88Å; R162-G164 PolarHBondContact O-N 2.84Å; G164-L166 PolarHBondContact O-N 3.17Å
165	S	86	Confident	89.1	Confident	13 Å²	13	57 Å²	57	9%	0.091	29%	0.288	C	S	.	.			trans	-58.3	132.3	-168.6	-63	0	0	0	0	112.9	L160 A163 K170	L160-S165 WeakPolarHBondContact CD2-OG 3.46Å; L160-S165 WeakPolarHBondContact O-CB 3.46Å; L160-S165 PolarHBondContact O-N 3.39Å; L160-S165 PolarHBondContact O-OG 2.93Å; A163-S165 PolarHBondContact O-N 2.87Å; S165-K170 WeakPolarHBondContact O-CE 3.23Å
166	L	90.8	Very high	89.1	Confident	130 Å²	130	57.3 Å²	57.3	68%	0.681	30%	0.297	S	S	*	.			trans	-54.5	139.4	-175	-68.6	175.6	0	0	0	112.8	G164 K168 F169 K170	G164-L166 PolarHBondContact O-N 3.17Å; L166-K168 PolarHBondContact O-N 3.06Å; L166-F169 WeakPolarHBondContact O-CA 3.22Å; L166-F169 WeakPolarHBondContact O-CB 3.37Å; L166-F169 PolarHBondContact O-N 2.96Å; L166-K170 PolarHBondContact O-N 2.87Å; L166-K170 VanDerWaalsContact O-N 3.1Å
167	P	92.6	Very high	89.2	Confident	64 Å²	64	56.2 Å²	56.2	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-46.9	-39.4	178.1	-36.1	38.5	0	0	0	115.7	K171 D457	P167-K171 WeakPolarHBondContact O-CG 3.49Å; P167-K171 PolarHBondContact O-N 3.28Å; P167-D457 WeakPolarHBondContact CA-OD2 3.4Å; P167-D457 VanDerWaalsContact CB-OD2 3.25Å; P167-D457 WeakPolarHBondContact CB-OD2 3.46Å; P167-D457 WeakPolarHBondContact CG-OD2 3.25Å
168	K	92.3	Very high	89	Confident	184 Å²	184	60.9 Å²	60.9	80%	0.8	32%	0.316	S	S	*	.	H	α-helix	trans	-68.2	-34.9	177.9	-67.3	-176.4	179.2	179.5	0	112.6	L166 F172	L166-K168 PolarHBondContact O-N 3.06Å; K168-F172 PolarHBondContact O-N 2.84Å; K168-F172 VanDerWaalsContact O-N 3.08Å
169	F	90.2	Very high	89	Confident	48 Å²	48	63.4 Å²	63.4	21%	0.211	35%	0.346	C	S	.	.	H	α-helix	trans	-76.2	-43.3	179.9	-177.8	-110.7	0	0	0	111.8	L160 L166 K171 F172 I173 W211 L212	L160-F169 HydrophobicContact CD2-CD1 4.05Å; L160-F169 HydrophobicContact CD2-CE1 3.66Å; L166-F169 WeakPolarHBondContact O-CA 3.22Å; L166-F169 WeakPolarHBondContact O-CB 3.37Å; L166-F169 PolarHBondContact O-N 2.96Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.46Å; F169-F172 HydrophobicContact CD2-CD1 4.46Å; F169-F172 HydrophobicContact CE2-CD1 4.35Å; F169-F172 WeakPolarHBondContact O-CB 3.48Å; F169-F172 PolarHBondContact O-N 3.13Å; F169-F172 VanDerWaalsContact O-N 3.13Å; F169-I173 HydrophobicContact CD1-CG1 4.4Å; F169-I173 HydrophobicContact CD2-CG1 4.45Å; F169-I173 HydrophobicContact CE1-CD1 4.43Å; F169-I173 HydrophobicContact CE1-CG1 3.88Å; F169-I173 HydrophobicContact CE2-CD1 3.94Å; F169-I173 HydrophobicContact CE2-CG1 3.93Å; F169-I173 HydrophobicContact CZ-CD1 3.69Å; F169-I173 HydrophobicContact CZ-CG1 3.61Å; F169-I173 PolarHBondContact O-N 3.16Å; F169-W211 HydrophobicContact CD1-CH2 4.08Å; F169-W211 HydrophobicContact CD1-CZ2 4.32Å; F169-W211 AromaticContact CE1-CH2 3.55Å; F169-W211 HydrophobicContact CE1-CH2 3.55Å; F169-W211 AromaticContact CE1-CZ2 3.55Å; F169-W211 HydrophobicContact CE1-CZ2 3.55Å; F169-W211 HydrophobicContact CE2-CZ2 4.15Å; F169-W211 AromaticContact CZ-CH2 3.99Å; F169-W211 HydrophobicContact CZ-CH2 3.99Å; F169-W211 AromaticContact CZ-CZ2 3.45Å; F169-W211 HydrophobicContact CZ-CZ2 3.45Å; F169-W211 VanDerWaalsContact CZ-CZ2 3.45Å; F169-L212 HydrophobicContact CE1-CD1 4.25Å; F169-L212 HydrophobicContact CE1-CD2 4.46Å; F169-L212 HydrophobicContact CZ-CD1 4.25Å
170	K	91.1	Very high	89.2	Confident	23 Å²	23	65.6 Å²	65.6	10%	0.1	36%	0.362	C	S	.	.	H	α-helix	trans	-52.1	-48	170.1	-74	-175.3	177.9	-175.1	0	111.6	S165 L166 F172 I173 S174 D455 D457 F458	S165-K170 WeakPolarHBondContact O-CE 3.23Å; L166-K170 PolarHBondContact O-N 2.87Å; L166-K170 VanDerWaalsContact O-N 3.1Å; K170-F172 PolarHBondContact O-N 2.78Å; K170-I173 PolarHBondContact O-N 3.5Å; K170-S174 WeakPolarHBondContact O-CB 3.3Å; K170-S174 PolarHBondContact O-N 3.14Å; K170-D455 IonicContact NZ-OD1 2.72Å; K170-D455 PolarHBondContact NZ-OD1 3.46Å; K170-D455 IonicContact NZ-OD2 3.95Å; K170-D455 PolarHBondContact NZ-OD2 2.84Å; K170-D457 HydrophobicContact CB-CB 3.83Å; K170-D457 HydrophobicContact CD-CB 3.79Å; K170-D457 HydrophobicContact CG-CB 4.49Å; K170-F458 HydrophobicContact CB-CD2 4.44Å
171	K	92.4	Very high	89.1	Confident	76 Å²	76	68.8 Å²	68.8	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-45.5	176	-75.2	178.6	172.1	108.6	0	112.6	P167 F169 S174 Y175 D457	P167-K171 WeakPolarHBondContact O-CG 3.49Å; P167-K171 PolarHBondContact O-N 3.28Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.46Å; K171-S174 PolarHBondContact O-N 3.31Å; K171-Y175 HydrophobicContact CB-CD2 4.47Å; K171-Y175 HydrophobicContact CB-CE2 4.27Å; K171-Y175 WeakPolarHBondContact O-CD2 3.39Å; K171-Y175 PolarHBondContact O-N 3.03Å; K171-D457 WeakPolarHBondContact CA-O 3.41Å; K171-D457 HydrophobicContact CG-CB 4.36Å; K171-D457 WeakPolarHBondContact CG-O 3.4Å; K171-D457 PolarHBondContact N-O 2.97Å; K171-D457 IonicContact NZ-OD1 2.59Å; K171-D457 PolarHBondContact NZ-OD1 2.95Å
172	F	90.8	Very high	89.3	Confident	133 Å²	133	67.5 Å²	67.5	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-58.6	-49.3	177.3	174.7	-100.7	0	0	0	112.1	K168 F169 K170 S174 Y175 G176	K168-F172 PolarHBondContact O-N 2.84Å; K168-F172 VanDerWaalsContact O-N 3.08Å; F169-F172 HydrophobicContact CD2-CD1 4.46Å; F169-F172 HydrophobicContact CE2-CD1 4.35Å; F169-F172 WeakPolarHBondContact O-CB 3.48Å; F169-F172 PolarHBondContact O-N 3.13Å; F169-F172 VanDerWaalsContact O-N 3.13Å; K170-F172 PolarHBondContact O-N 2.78Å; F172-S174 PolarHBondContact O-N 3.14Å; F172-Y175 PolarHBondContact O-N 3.43Å; F172-G176 PolarHBondContact O-N 3.09Å
173	I	90	Very high	89.7	Confident	3 Å²	3	64 Å²	64	2%	0.015	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-43.9	176.3	-63.4	-62	0	0	0	111.1	L156 L160 F169 K170 Y175 G176 L177 M205 F209 F458	L156-I173 HydrophobicContact CD2-CG2 3.99Å; L160-I173 HydrophobicContact CD1-CG2 4.18Å; F169-I173 HydrophobicContact CD1-CG1 4.4Å; F169-I173 HydrophobicContact CD2-CG1 4.45Å; F169-I173 HydrophobicContact CE1-CD1 4.43Å; F169-I173 HydrophobicContact CE1-CG1 3.88Å; F169-I173 HydrophobicContact CE2-CD1 3.94Å; F169-I173 HydrophobicContact CE2-CG1 3.93Å; F169-I173 HydrophobicContact CZ-CD1 3.69Å; F169-I173 HydrophobicContact CZ-CG1 3.61Å; F169-I173 PolarHBondContact O-N 3.16Å; K170-I173 PolarHBondContact O-N 3.5Å; I173-Y175 PolarHBondContact O-N 2.83Å; I173-G176 PolarHBondContact O-N 2.9Å; I173-G176 VanDerWaalsContact O-N 3.14Å; I173-L177 PolarHBondContact O-N 3.18Å; I173-M205 HydrophobicContact CD1-CE 4.24Å; I173-F209 HydrophobicContact CD1-CE2 4.04Å; I173-F209 HydrophobicContact CD1-CZ 4.48Å; I173-F458 HydrophobicContact CB-CE2 4.47Å; I173-F458 HydrophobicContact CG2-CE2 4.17Å; I173-F458 HydrophobicContact CG2-CZ 4.19Å
174	S	91.8	Very high	90.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-40.7	179.5	-168.5	0	0	0	0	113.3	K170 K171 F172 L178 F458 S459 T460	K170-S174 WeakPolarHBondContact O-CB 3.3Å; K170-S174 PolarHBondContact O-N 3.14Å; K171-S174 PolarHBondContact O-N 3.31Å; F172-S174 PolarHBondContact O-N 3.14Å; S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 2.86Å; S174-L178 VanDerWaalsContact O-N 3.15Å; S174-F458 WeakPolarHBondContact OG-CD1 3.24Å; S174-F458 WeakPolarHBondContact OG-CE1 3.31Å; S174-S459 PolarHBondContact OG-N 3.02Å; S174-S459 PolarHBondContact OG-OG 2.78Å; S174-T460 PolarHBondContact OG-OG1 3.15Å
175	Y	90.7	Very high	90.8	Very high	142 Å²	142	59 Å²	59	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-72.4	-31.5	174.1	-69.1	-57.6	0	0	0	112.3	K171 F172 I173 G179	K171-Y175 HydrophobicContact CB-CD2 4.47Å; K171-Y175 HydrophobicContact CB-CE2 4.27Å; K171-Y175 WeakPolarHBondContact O-CD2 3.39Å; K171-Y175 PolarHBondContact O-N 3.03Å; F172-Y175 PolarHBondContact O-N 3.43Å; I173-Y175 PolarHBondContact O-N 2.83Å; Y175-G179 PolarHBondContact O-N 3.2Å
176	G	89.7	Confident	91.2	Very high	33 Å²	33	59.3 Å²	59.3	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-49.7	172.5	0	0	0	0	0	112.4	F172 I173 G179 V180	F172-G176 PolarHBondContact O-N 3.09Å; I173-G176 PolarHBondContact O-N 2.9Å; I173-G176 VanDerWaalsContact O-N 3.14Å; G176-G179 PolarHBondContact O-N 3.04Å; G176-V180 PolarHBondContact O-N 3.2Å
177	L	91.4	Very high	91.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-47.6	175.1	-67.7	-177.8	0	0	0	111.9	F153 L156 I173 G179 V180 G181 E182 I202 M205 F458	F153-L177 HydrophobicContact CD2-CD1 3.82Å; F153-L177 HydrophobicContact CE2-CD1 3.88Å; L156-L177 HydrophobicContact CD2-CD1 4.16Å; I173-L177 PolarHBondContact O-N 3.18Å; L177-G179 PolarHBondContact O-N 3.26Å; L177-V180 WeakPolarHBondContact O-CG2 3.26Å; L177-V180 PolarHBondContact O-N 2.79Å; L177-V180 VanDerWaalsContact O-N 3.11Å; L177-G181 PolarHBondContact O-N 2.98Å; L177-G181 VanDerWaalsContact O-N 3.14Å; L177-E182 HydrophobicContact CB-CB 3.98Å; L177-E182 HydrophobicContact CD2-CB 4.06Å; L177-E182 HydrophobicContact CD2-CG 4.45Å; L177-E182 PolarHBondContact O-N 2.92Å; L177-I202 HydrophobicContact CD1-CD1 4.41Å; L177-I202 HydrophobicContact CD2-CD1 4.26Å; L177-I202 HydrophobicContact CD2-CG1 3.69Å; L177-M205 HydrophobicContact CD2-CE 4.27Å; L177-M205 HydrophobicContact CD2-SD 3.59Å; L177-M205 VanDerWaalsContact CD2-SD 3.59Å; L177-F458 HydrophobicContact CD1-CE1 4.15Å; L177-F458 HydrophobicContact CD1-CZ 3.83Å
178	L	88.5	Confident	91.8	Very high	99 Å²	99	56.7 Å²	56.7	52%	0.518	32%	0.315	S	S	.	.	H	α-helix	trans	-57.7	-37.8	177	-161.8	89.1	0	0	0	112	S174 V180 G181	S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 2.86Å; S174-L178 VanDerWaalsContact O-N 3.15Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.16Å; L178-G181 PolarHBondContact O-N 3.38Å
179	G	89	Confident	92.1	Very high	67 Å²	67	49.4 Å²	49.4	69%	0.691	29%	0.287	S	S	*	.	H	α-helix	trans	-71.2	-22.1	178.9	0	0	0	0	0	115.1	Y175 G176 L177	Y175-G179 PolarHBondContact O-N 3.2Å; G176-G179 PolarHBondContact O-N 3.04Å; L177-G179 PolarHBondContact O-N 3.26Å
180	V	89.3	Confident	92.4	Very high	81 Å²	81	47.1 Å²	47.1	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-97.6	2.3	171.8	-60.4	0	0	0	0	113.1	G176 L177 L178 E182 I201	G176-V180 PolarHBondContact O-N 3.2Å; L177-V180 WeakPolarHBondContact O-CG2 3.26Å; L177-V180 PolarHBondContact O-N 2.79Å; L177-V180 VanDerWaalsContact O-N 3.11Å; L178-V180 VanDerWaalsContact C-N 3.35Å; L178-V180 PolarHBondContact O-N 3.16Å; V180-E182 HydrophobicContact CG2-CB 4.31Å; V180-E182 HydrophobicContact CG2-CG 4.35Å; V180-I201 HydrophobicContact CB-CD1 4.17Å; V180-I201 HydrophobicContact CG1-CD1 4.19Å; V180-I201 HydrophobicContact CG2-CD1 4.19Å; V180-I201 HydrophobicContact CG2-CG2 4.05Å
181	G	87	Confident	92.7	Very high	67 Å²	67	47.9 Å²	47.9	69%	0.691	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	12.6	180	0	0	0	0	0	115.1	L177 L178	L177-G181 PolarHBondContact O-N 2.98Å; L177-G181 VanDerWaalsContact O-N 3.14Å; L178-G181 PolarHBondContact O-N 3.38Å
182	E	89.5	Confident	92.9	Very high	34 Å²	34	44.9 Å²	44.9	16%	0.159	27%	0.272	C	S	.	.			trans	-79.6	146.5	176.3	-89.5	-54.7	156.9	0	0	113.3	N150 L177 V180 I201	N150-E182 PolarHBondContact ND2-OE2 2.86Å; L177-E182 HydrophobicContact CB-CB 3.98Å; L177-E182 HydrophobicContact CD2-CB 4.06Å; L177-E182 HydrophobicContact CD2-CG 4.45Å; L177-E182 PolarHBondContact O-N 2.92Å; V180-E182 HydrophobicContact CG2-CB 4.31Å; V180-E182 HydrophobicContact CG2-CG 4.35Å; E182-I201 HydrophobicContact CG-CG2 3.37Å
183	G	91.6	Very high	93.3	Very high	18 Å²	18	38.6 Å²	38.6	19%	0.186	24%	0.244	C	C	.	.			trans	-145.1	169.6	-170.7	0	0	0	0	0	114	N150 F153 F185	N150-G183 VanDerWaalsContact CB-O 3.27Å; N150-G183 WeakPolarHBondContact CB-O 3.32Å; F153-G183 WeakPolarHBondContact CD2-O 3.43Å; G183-F185 PolarHBondContact O-N 3.03Å
184	A	94.9	Very high	93.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	24%	0.244	C	C	.	.	S	Bend	trans	-71.1	-12.1	178.9	0	0	0	0	0	113.9	M88 P149 N150 F153 W154 V461	M88-A184 HydrophobicContact CE-CB 3.68Å; M88-A184 HydrophobicContact SD-CB 4.17Å; P149-A184 WeakPolarHBondContact CA-O 3.35Å; N150-A184 PolarHBondContact N-O 2.88Å; F153-A184 HydrophobicContact CD1-CB 4.12Å; F153-A184 HydrophobicContact CE1-CB 3.79Å; F153-A184 HydrophobicContact CZ-CB 4.13Å; W154-A184 HydrophobicContact CZ2-CB 3.73Å; W154-A184 PolarHBondContact NE1-O 2.96Å; A184-V461 HydrophobicContact CB-CG1 3.74Å
185	F	96.6	Very high	93.7	Very high	24 Å²	24	39.6 Å²	39.6	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.8	178.2	-60.1	-78	0	0	0	109.7	I81 V84 I87 M88 T147 V148 P149 G183 M452 M469	I81-F185 HydrophobicContact CD1-CD1 3.64Å; I81-F185 HydrophobicContact CD1-CE1 3.51Å; V84-F185 HydrophobicContact CB-CD2 4.37Å; V84-F185 HydrophobicContact CG1-CB 4.27Å; V84-F185 HydrophobicContact CG1-CD2 3.5Å; V84-F185 HydrophobicContact CG1-CE2 4.09Å; V84-F185 HydrophobicContact CG1-CG 4.09Å; V84-F185 HydrophobicContact CG2-CB 4.26Å; V84-F185 HydrophobicContact CG2-CD1 4.46Å; V84-F185 HydrophobicContact CG2-CD2 4.15Å; V84-F185 HydrophobicContact CG2-CG 4.03Å; I87-F185 HydrophobicContact CD1-CZ 4.34Å; I87-F185 HydrophobicContact CG2-CZ 4.32Å; M88-F185 HydrophobicContact CG-CD2 4.24Å; M88-F185 HydrophobicContact CG-CE2 3.8Å; M88-F185 HydrophobicContact SD-CD2 4.25Å; M88-F185 HydrophobicContact SD-CE2 3.66Å; T147-F185 HydrophobicContact CG2-CB 4.33Å; V148-F185 CarbonylContact O-C 3.45Å; V148-F185 VanDerWaalsContact O-CA 3.27Å; V148-F185 WeakPolarHBondContact O-CA 3.36Å; P149-F185 HydrophobicContact CB-CD1 4.47Å; P149-F185 HydrophobicContact CG-CD1 4.43Å; P149-F185 HydrophobicContact CG-CE1 4.3Å; G183-F185 PolarHBondContact O-N 3.03Å; F185-M452 HydrophobicContact CE1-CE 4.02Å; F185-M452 HydrophobicContact CE1-SD 3.66Å; F185-M452 HydrophobicContact CZ-CE 3.8Å; F185-M452 HydrophobicContact CZ-SD 3.81Å; F185-M469 HydrophobicContact CE1-CE 3.95Å; F185-M469 HydrophobicContact CZ-CE 4.21Å
186	I	96.1	Very high	93.9	Very high	18 Å²	18	35.9 Å²	35.9	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.1	-177.6	-158.9	171.7	0	0	0	110.2	T147 V148 N150 K188 Y198	T147-I186 WeakPolarHBondContact CA-O 3.43Å; V148-I186 HydrophobicContact CG2-CG2 4.12Å; V148-I186 PolarHBondContact N-O 3.08Å; V148-I186 PolarHBondContact O-N 3.22Å; N150-I186 HydrophobicContact CB-CB 4.14Å; N150-I186 HydrophobicContact CB-CG2 4.23Å; I186-K188 HydrophobicContact CD1-CD 4.42Å; I186-K188 HydrophobicContact CD1-CG 4.3Å; I186-K188 HydrophobicContact CG1-CD 4.48Å; I186-K188 HydrophobicContact CG1-CG 4.17Å; I186-K188 HydrophobicContact CG2-CG 4.48Å; I186-Y198 HydrophobicContact CD1-CD2 4.07Å; I186-Y198 HydrophobicContact CD1-CE2 3.69Å
187	T	97.4	Very high	94.1	Very high	74 Å²	74	34.7 Å²	34.7	45%	0.454	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.4	173.7	-49.7	0	0	0	0	109	L145 V146 T147	L145-T187 HydrophobicContact CB-CG2 4.09Å; V146-T187 WeakPolarHBondContact O-CA 3.49Å; T147-T187 PolarHBondContact OG1-OG1 3.15Å
188	K	97.6	Very high	94.2	Very high	65 Å²	65	35.2 Å²	35.2	28%	0.283	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	167.1	-179.4	-65.7	-64.9	179.6	-173	0	110.1	L145 V146 I186 A192 L193 Y198	L145-K188 WeakPolarHBondContact CA-O 3.5Å; V146-K188 PolarHBondContact N-O 3.02Å; V146-K188 PolarHBondContact O-N 3.41Å; I186-K188 HydrophobicContact CD1-CD 4.42Å; I186-K188 HydrophobicContact CD1-CG 4.3Å; I186-K188 HydrophobicContact CG1-CD 4.48Å; I186-K188 HydrophobicContact CG1-CG 4.17Å; I186-K188 HydrophobicContact CG2-CG 4.48Å; K188-A192 HydrophobicContact CB-CB 4.48Å; K188-L193 HydrophobicContact CB-CD1 4.34Å; K188-L193 HydrophobicContact CB-CD2 3.81Å; K188-L193 HydrophobicContact CB-CG 3.8Å; K188-L193 HydrophobicContact CG-CD2 4.22Å; K188-Y198 HydrophobicContact CD-CG 4.31Å; K188-Y198 HydrophobicContact CG-CD1 4.2Å; K188-Y198 HydrophobicContact CG-CG 4.28Å
189	S	98.1	Very high	94.3	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	152.2	171.7	57	0	0	0	0	111.7	D144 D191 A192 L193	D144-S189 CarbonylContact O-C 3.56Å; D144-S189 VanDerWaalsContact O-CA 3.24Å; D144-S189 WeakPolarHBondContact O-CA 3.14Å; S189-D191 VanDerWaalsContact C-N 3.29Å; S189-D191 PolarHBondContact O-N 2.83Å; S189-A192 PolarHBondContact O-N 3.49Å; S189-A192 VanDerWaalsContact O-N 3.08Å; S189-A192 WeakPolarHBondContact OG-CB 3.44Å; S189-L193 WeakPolarHBondContact O-CG 3.26Å; S189-L193 PolarHBondContact O-N 3.22Å
190	I	97.6	Very high	94.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.2	-45.6	177.6	-62.4	-69.3	0	0	0	112	F78 Y102 L142 D144 V146 L193 L194	F78-I190 HydrophobicContact CB-CD1 4.23Å; F78-I190 HydrophobicContact CD2-CD1 3.47Å; F78-I190 VanDerWaalsContact CD2-CD1 3.47Å; F78-I190 HydrophobicContact CE2-CD1 3.88Å; F78-I190 HydrophobicContact CE2-CG2 4.09Å; F78-I190 HydrophobicContact CG-CD1 3.85Å; Y102-I190 HydrophobicContact CD1-CG1 4.33Å; Y102-I190 HydrophobicContact CD1-CG2 4.02Å; Y102-I190 HydrophobicContact CD2-CD1 4.09Å; Y102-I190 HydrophobicContact CD2-CG1 4.31Å; Y102-I190 HydrophobicContact CD2-CG2 4.09Å; Y102-I190 HydrophobicContact CE1-CB 4.43Å; Y102-I190 HydrophobicContact CE1-CD1 4.48Å; Y102-I190 HydrophobicContact CE1-CG1 3.81Å; Y102-I190 HydrophobicContact CE1-CG2 4.35Å; Y102-I190 HydrophobicContact CE2-CD1 3.53Å; Y102-I190 HydrophobicContact CE2-CG1 3.8Å; Y102-I190 HydrophobicContact CE2-CG2 4.43Å; Y102-I190 HydrophobicContact CG-CG2 3.89Å; L142-I190 HydrophobicContact CD2-CG2 4.34Å; L142-I190 PolarHBondContact O-N 2.98Å; D144-I190 HydrophobicContact CB-CG1 4.28Å; D144-I190 PolarHBondContact O-N 2.89Å; V146-I190 HydrophobicContact CG1-CD1 4.01Å; V146-I190 HydrophobicContact CG2-CD1 3.85Å; I190-L193 PolarHBondContact O-N 3.22Å; I190-L194 HydrophobicContact CG2-CD1 3.88Å; I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.36Å; I190-L194 PolarHBondContact O-N 3.02Å
191	D	96.9	Very high	94	Very high	39 Å²	39	33 Å²	33	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-37.7	178	167.9	66.3	0	0	0	113.4	L142 S189 L193 L194 F195 T196	L142-D191 HydrophobicContact CB-CB 3.9Å; L142-D191 HydrophobicContact CD1-CB 4.37Å; L142-D191 HydrophobicContact CD2-CB 4.31Å; L142-D191 HydrophobicContact CG-CB 4.42Å; L142-D191 PolarHBondContact O-N 3.24Å; L142-D191 VanDerWaalsContact O-N 3.15Å; S189-D191 VanDerWaalsContact C-N 3.29Å; S189-D191 PolarHBondContact O-N 2.83Å; D191-L193 VanDerWaalsContact C-N 3.29Å; D191-L193 PolarHBondContact O-N 3.18Å; D191-L194 CarbonylContact O-C 3.53Å; D191-L194 PolarHBondContact O-N 3.49Å; D191-F195 PolarHBondContact O-N 2.64Å; D191-T196 VanDerWaalsContact CG-OG1 3.3Å; D191-T196 PolarHBondContact O-N 3.09Å; D191-T196 VanDerWaalsContact O-N 3.12Å; D191-T196 PolarHBondContact O-OG1 2.88Å; D191-T196 WeakPolarHBondContact OD2-CB 3.35Å; D191-T196 WeakPolarHBondContact OD2-CG2 3.49Å; D191-T196 PolarHBondContact OD2-OG1 3.1Å
192	A	97.2	Very high	93.9	Very high	13 Å²	13	30.1 Å²	30.1	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-28.1	175.5	0	0	0	0	0	112.3	K188 S189 G197 Y198	K188-A192 HydrophobicContact CB-CB 4.48Å; S189-A192 PolarHBondContact O-N 3.49Å; S189-A192 VanDerWaalsContact O-N 3.08Å; S189-A192 WeakPolarHBondContact OG-CB 3.44Å; A192-G197 CarbonylContact O-C 3.57Å; A192-G197 VanDerWaalsContact O-CA 3.23Å; A192-G197 WeakPolarHBondContact O-CA 3.2Å; A192-Y198 PolarHBondContact O-N 2.77Å
193	L	97.5	Very high	93.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-78.7	-28.9	172.7	-68	175.1	0	0	0	112.8	F78 V146 V148 K188 S189 I190 D191 Y198 G223 F224	F78-L193 HydrophobicContact CD1-CD1 4.21Å; F78-L193 HydrophobicContact CE1-CB 3.93Å; F78-L193 HydrophobicContact CE1-CD1 3.74Å; F78-L193 HydrophobicContact CE1-CG 4.46Å; F78-L193 HydrophobicContact CZ-CB 3.89Å; F78-L193 HydrophobicContact CZ-CD1 4.37Å; V146-L193 HydrophobicContact CG2-CD1 3.43Å; V146-L193 VanDerWaalsContact CG2-CD1 3.43Å; V148-L193 HydrophobicContact CG1-CD1 4.32Å; V148-L193 HydrophobicContact CG2-CD1 3.96Å; V148-L193 HydrophobicContact CG2-CD2 3.81Å; K188-L193 HydrophobicContact CB-CD1 4.34Å; K188-L193 HydrophobicContact CB-CD2 3.81Å; K188-L193 HydrophobicContact CB-CG 3.8Å; K188-L193 HydrophobicContact CG-CD2 4.22Å; S189-L193 WeakPolarHBondContact O-CG 3.26Å; S189-L193 PolarHBondContact O-N 3.22Å; I190-L193 PolarHBondContact O-N 3.22Å; D191-L193 VanDerWaalsContact C-N 3.29Å; D191-L193 PolarHBondContact O-N 3.18Å; L193-Y198 HydrophobicContact CD2-CD1 4.28Å; L193-Y198 HydrophobicContact CD2-CE1 3.79Å; L193-G223 CarbonylContact O-C 3.48Å; L193-G223 VanDerWaalsContact O-CA 3.25Å; L193-G223 WeakPolarHBondContact O-CA 3.44Å; L193-F224 WeakPolarHBondContact O-CD2 3.23Å; L193-F224 PolarHBondContact O-N 2.86Å
194	L	96.4	Very high	93	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-92.7	-77	178.4	-68	178.6	0	0	0	112.4	V76 F78 F104 I190 D191 M225 Y226 L472	V76-L194 HydrophobicContact CG1-CD2 4.35Å; V76-L194 HydrophobicContact CG2-CD1 4.41Å; F78-L194 HydrophobicContact CE2-CD1 4.18Å; F78-L194 HydrophobicContact CE2-CD2 4Å; F78-L194 HydrophobicContact CE2-CG 3.98Å; F78-L194 HydrophobicContact CZ-CD2 3.82Å; F78-L194 HydrophobicContact CZ-CG 3.95Å; F104-L194 HydrophobicContact CE2-CD1 3.9Å; F104-L194 HydrophobicContact CZ-CD1 3.82Å; I190-L194 HydrophobicContact CG2-CD1 3.88Å; I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.36Å; I190-L194 PolarHBondContact O-N 3.02Å; D191-L194 CarbonylContact O-C 3.53Å; D191-L194 PolarHBondContact O-N 3.49Å; L194-M225 HydrophobicContact CD2-CG 4.21Å; L194-M225 CarbonylContact O-C 3.51Å; L194-M225 VanDerWaalsContact O-CA 3.25Å; L194-M225 WeakPolarHBondContact O-CA 3.41Å; L194-M225 WeakPolarHBondContact O-CB 3.21Å; L194-M225 PolarHBondContact O-N 3.26Å; L194-Y226 PolarHBondContact O-N 3.29Å; L194-L472 HydrophobicContact CD2-CD2 4.14Å
195	F	94.5	Very high	92	Very high	23 Å²	23	33.4 Å²	33.4	10%	0.101	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-50.2	-157	-72.3	-68.4	0	0	0	115	M74 F104 F129 D191 G197 M225 Y226 N229	M74-F195 HydrophobicContact CE-CE2 4.13Å; M74-F195 HydrophobicContact CE-CZ 3.77Å; F104-F195 AromaticContact CD1-CE2 3.85Å; F104-F195 HydrophobicContact CD1-CE2 3.85Å; F104-F195 AromaticContact CE1-CD2 3.99Å; F104-F195 HydrophobicContact CE1-CD2 3.99Å; F104-F195 AromaticContact CE1-CE2 3.51Å; F104-F195 HydrophobicContact CE1-CE2 3.51Å; F104-F195 HydrophobicContact CE2-CE2 4.29Å; F104-F195 HydrophobicContact CG-CE2 4.38Å; F104-F195 HydrophobicContact CZ-CD2 4.26Å; F104-F195 AromaticContact CZ-CE2 3.76Å; F104-F195 HydrophobicContact CZ-CE2 3.76Å; F129-F195 HydrophobicContact CB-CE1 4.02Å; F129-F195 HydrophobicContact CB-CE2 4.41Å; F129-F195 HydrophobicContact CB-CZ 3.64Å; F129-F195 HydrophobicContact CD1-CZ 4.25Å; F129-F195 AromaticContact CD2-CE1 3.62Å; F129-F195 HydrophobicContact CD2-CE1 3.62Å; F129-F195 AromaticContact CD2-CZ 3.91Å; F129-F195 HydrophobicContact CD2-CZ 3.91Å; F129-F195 HydrophobicContact CE2-CE1 4.27Å; F129-F195 AromaticContact CG-CE1 3.89Å; F129-F195 HydrophobicContact CG-CE1 3.89Å; F129-F195 AromaticContact CG-CZ 3.68Å; F129-F195 HydrophobicContact CG-CZ 3.68Å; D191-F195 PolarHBondContact O-N 2.64Å; F195-G197 VanDerWaalsContact C-N 3.29Å; F195-G197 PolarHBondContact O-N 3.29Å; F195-M225 HydrophobicContact CD1-CB 3.59Å; F195-M225 HydrophobicContact CE1-CB 3.46Å; F195-M225 VanDerWaalsContact CE1-CB 3.46Å; F195-M225 HydrophobicContact CE1-CG 4.14Å; F195-M225 HydrophobicContact CG-CB 4.3Å; F195-M225 HydrophobicContact CZ-CB 4.06Å; F195-M225 HydrophobicContact CZ-CG 4.3Å; F195-Y226 WeakPolarHBondContact O-CD2 3.4Å; F195-N229 HydrophobicContact CD1-CB 3.86Å; F195-N229 HydrophobicContact CE1-CB 4.11Å
196	T	94.2	Very high	90.9	Very high	64 Å²	64	33.1 Å²	33.1	39%	0.393	19%	0.187	S	C	.	.	S	Bend	trans	-73	-25.2	-177.7	51.7	0	0	0	0	113	D191 R221	D191-T196 VanDerWaalsContact CG-OG1 3.3Å; D191-T196 PolarHBondContact O-N 3.09Å; D191-T196 VanDerWaalsContact O-N 3.12Å; D191-T196 PolarHBondContact O-OG1 2.88Å; D191-T196 WeakPolarHBondContact OD2-CB 3.35Å; D191-T196 WeakPolarHBondContact OD2-CG2 3.49Å; D191-T196 PolarHBondContact OD2-OG1 3.1Å; T196-R221 WeakPolarHBondContact O-CD 3.49Å; T196-R221 PolarHBondContact O-NH1 2.74Å
197	G	94.4	Very high	89.8	Confident	7 Å²	7	37.2 Å²	37.2	7%	0.072	20%	0.204	C	C	.	.			trans	72.5	147.5	177.4	0	0	0	0	0	113.9	A192 F195 R221 M222	A192-G197 CarbonylContact O-C 3.57Å; A192-G197 VanDerWaalsContact O-CA 3.23Å; A192-G197 WeakPolarHBondContact O-CA 3.2Å; F195-G197 VanDerWaalsContact C-N 3.29Å; F195-G197 PolarHBondContact O-N 3.29Å; G197-R221 WeakPolarHBondContact O-CD 3.46Å; G197-M222 CarbonylContact C-O 3.57Å; G197-M222 WeakPolarHBondContact CA-O 3.12Å
198	Y	94	Very high	88.5	Confident	12 Å²	12	40.7 Å²	40.7	5%	0.047	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-100.8	143.5	171.9	63	-84.4	0	0	0	112	P152 I186 K188 A192 L193 D200 R221 M222	P152-Y198 HydrophobicContact CG-CE2 4.41Å; I186-Y198 HydrophobicContact CD1-CD2 4.07Å; I186-Y198 HydrophobicContact CD1-CE2 3.69Å; K188-Y198 HydrophobicContact CD-CG 4.31Å; K188-Y198 HydrophobicContact CG-CD1 4.2Å; K188-Y198 HydrophobicContact CG-CG 4.28Å; A192-Y198 PolarHBondContact O-N 2.77Å; L193-Y198 HydrophobicContact CD2-CD1 4.28Å; L193-Y198 HydrophobicContact CD2-CE1 3.79Å; Y198-D200 HydrophobicContact CD2-CB 4.26Å; Y198-D200 HydrophobicContact CE2-CB 4.16Å; Y198-R221 CarbonylContact O-C 3.46Å; Y198-R221 VanDerWaalsContact O-CA 3.24Å; Y198-R221 WeakPolarHBondContact O-CA 3.42Å; Y198-R221 WeakPolarHBondContact O-CB 3.43Å; Y198-M222 HydrophobicContact CD1-CB 4.25Å; Y198-M222 VanDerWaalsContact CD1-O 3.25Å; Y198-M222 WeakPolarHBondContact CD1-O 3.31Å; Y198-M222 HydrophobicContact CD2-CB 4.43Å; Y198-M222 HydrophobicContact CE1-CB 3.78Å; Y198-M222 HydrophobicContact CE1-CG 3.68Å; Y198-M222 HydrophobicContact CE2-CB 4Å; Y198-M222 HydrophobicContact CE2-CG 4.39Å; Y198-M222 PolarHBondContact N-O 2.97Å; Y198-M222 PolarHBondContact O-N 2.94Å; Y198-M222 WeakPolarHBondContact OH-CG 3.48Å
199	H	90.5	Very high	87.1	Confident	117 Å²	117	40.1 Å²	40.1	54%	0.542	22%	0.215	S	C	.	.			trans	-75.5	143	162.6	-65.4	-65	0	0	0	109.4	D220 R221	H199-D220 PolarHBondContact CE1-O 2.88Å; H199-D220 PolarHBondContact ND1-O 3.39Å; H199-R221 PolarHBondContact CE1-NE 2.82Å; H199-R221 WeakPolarHBondContact ND1-CG 3.48Å; H199-R221 PolarHBondContact NE2-NE 2.82Å; H199-R221 PolarHBondContact NE2-NH2 2.87Å
200	D	87.8	Confident	85.4	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.059	23%	0.232	C	C	.	.			trans	-133	138.7	178.6	-171.6	-56.7	0	0	0	108.6	N150 P152 Y198 I202 F203	N150-D200 PolarHBondContact ND2-OD2 2.78Å; N150-D200 PolarHBondContact OD1-OD2 3.16Å; P152-D200 HydrophobicContact CB-CB 4.23Å; P152-D200 HydrophobicContact CG-CB 3.98Å; Y198-D200 HydrophobicContact CD2-CB 4.26Å; Y198-D200 HydrophobicContact CE2-CB 4.16Å; D200-I202 PolarHBondContact O-N 2.9Å; D200-I202 WeakPolarHBondContact OD1-CB 3.03Å; D200-I202 WeakPolarHBondContact OD1-CD1 3.46Å; D200-I202 WeakPolarHBondContact OD1-CG1 3.41Å; D200-I202 PolarHBondContact OD1-N 2.89Å; D200-F203 HydrophobicContact CB-CD2 4Å; D200-F203 HydrophobicContact CB-CE2 4.1Å; D200-F203 PolarHBondContact O-N 2.82Å
201	I	85.2	Confident	83.7	Confident	72 Å²	72	52 Å²	52	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-67.6	-21.6	-177.1	-166.4	165.2	0	0	0	112.6	V180 E182 F203 A204 M205	V180-I201 HydrophobicContact CB-CD1 4.17Å; V180-I201 HydrophobicContact CG1-CD1 4.19Å; V180-I201 HydrophobicContact CG2-CD1 4.19Å; V180-I201 HydrophobicContact CG2-CG2 4.05Å; E182-I201 HydrophobicContact CG-CG2 3.37Å; I201-F203 PolarHBondContact O-N 2.92Å; I201-A204 WeakPolarHBondContact O-CB 2.98Å; I201-A204 PolarHBondContact O-N 2.8Å; I201-M205 PolarHBondContact O-N 3.01Å
202	I	84.8	Confident	82	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-32.2	174.2	-69.7	158.7	0	0	0	111.3	P152 F153 L156 L177 D200 M205 A206	P152-I202 HydrophobicContact CB-CB 4.13Å; P152-I202 HydrophobicContact CB-CD1 4.13Å; P152-I202 HydrophobicContact CB-CG2 4.17Å; F153-I202 HydrophobicContact CB-CD1 3.85Å; L156-I202 HydrophobicContact CB-CG2 3.94Å; L156-I202 HydrophobicContact CD2-CG1 4.3Å; L156-I202 HydrophobicContact CD2-CG2 3.92Å; L156-I202 HydrophobicContact CG-CG2 4.48Å; L177-I202 HydrophobicContact CD1-CD1 4.41Å; L177-I202 HydrophobicContact CD2-CD1 4.26Å; L177-I202 HydrophobicContact CD2-CG1 3.69Å; D200-I202 PolarHBondContact O-N 2.9Å; D200-I202 WeakPolarHBondContact OD1-CB 3.03Å; D200-I202 WeakPolarHBondContact OD1-CD1 3.46Å; D200-I202 WeakPolarHBondContact OD1-CG1 3.41Å; D200-I202 PolarHBondContact OD1-N 2.89Å; I202-M205 PolarHBondContact O-N 3.22Å; I202-A206 VanDerWaalsContact O-CB 3.31Å; I202-A206 WeakPolarHBondContact O-CB 3.28Å; I202-A206 PolarHBondContact O-N 3.36Å
203	F	82.8	Confident	80.2	Confident	27 Å²	27	51.5 Å²	51.5	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-35.7	173.8	-61.2	-40.8	0	0	0	112.3	P152 D200 I201 K207 V218 P219 M222	P152-F203 HydrophobicContact CB-CE1 4.24Å; P152-F203 HydrophobicContact CB-CZ 4.26Å; P152-F203 HydrophobicContact CG-CE1 4.13Å; P152-F203 HydrophobicContact CG-CE2 4.11Å; P152-F203 HydrophobicContact CG-CZ 3.66Å; D200-F203 HydrophobicContact CB-CD2 4Å; D200-F203 HydrophobicContact CB-CE2 4.1Å; D200-F203 PolarHBondContact O-N 2.82Å; I201-F203 PolarHBondContact O-N 2.92Å; F203-K207 WeakPolarHBondContact O-CG 3.4Å; F203-K207 PolarHBondContact O-N 3.1Å; F203-K207 VanDerWaalsContact O-N 3.11Å; F203-V218 HydrophobicContact CB-CG1 3.82Å; F203-V218 HydrophobicContact CD1-CG1 3.49Å; F203-V218 VanDerWaalsContact CD1-CG1 3.49Å; F203-V218 HydrophobicContact CE1-CG1 4.36Å; F203-V218 HydrophobicContact CG-CG1 3.97Å; F203-P219 HydrophobicContact CE1-CG 4.23Å; F203-P219 HydrophobicContact CZ-CG 4.2Å; F203-M222 HydrophobicContact CE2-CB 3.94Å; F203-M222 HydrophobicContact CZ-CB 3.94Å
204	A	77.5	Confident	78.3	Confident	60 Å²	60	54.9 Å²	54.9	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-40.8	172.4	0	0	0	0	0	111.5	I201 K207 M208	I201-A204 WeakPolarHBondContact O-CB 2.98Å; I201-A204 PolarHBondContact O-N 2.8Å; A204-K207 PolarHBondContact O-N 2.84Å; A204-M208 WeakPolarHBondContact O-CB 3.17Å; A204-M208 PolarHBondContact O-N 2.86Å
205	M	74.9	Confident	76.5	Confident	36 Å²	36	62.1 Å²	62.1	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-40.3	174.2	-69	-179	67.4	0	0	112.5	I173 L177 I201 I202 M208 F209	I173-M205 HydrophobicContact CD1-CE 4.24Å; L177-M205 HydrophobicContact CD2-CE 4.27Å; L177-M205 HydrophobicContact CD2-SD 3.59Å; L177-M205 VanDerWaalsContact CD2-SD 3.59Å; I201-M205 PolarHBondContact O-N 3.01Å; I202-M205 PolarHBondContact O-N 3.22Å; M205-M208 WeakPolarHBondContact O-CB 3.3Å; M205-M208 PolarHBondContact O-N 2.84Å; M205-F209 HydrophobicContact CE-CE2 4.22Å; M205-F209 VanDerWaalsContact O-CD2 3.24Å; M205-F209 WeakPolarHBondContact O-CD2 3.37Å; M205-F209 PolarHBondContact O-N 3.18Å
206	A	74.1	Confident	74.9	Confident	18 Å²	18	63.1 Å²	63.1	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-41.4	177.1	0	0	0	0	0	111.8	I202 M208 F209 V218	I202-A206 VanDerWaalsContact O-CB 3.31Å; I202-A206 WeakPolarHBondContact O-CB 3.28Å; I202-A206 PolarHBondContact O-N 3.36Å; A206-M208 VanDerWaalsContact C-N 3.34Å; A206-F209 CarbonylContact O-C 3.56Å; A206-F209 PolarHBondContact O-N 3.27Å; A206-V218 HydrophobicContact CB-CG1 4.31Å; A206-V218 HydrophobicContact CB-CG2 4.05Å
207	K	72.1	Confident	73.6	Confident	104 Å²	104	68.7 Å²	68.7	45%	0.452	35%	0.347	S	S	.	.	H	α-helix	trans	-66.1	-33.3	173.6	-69.8	176.5	-177	-171.5	0	112.5	F203 A204 V218 D220	F203-K207 WeakPolarHBondContact O-CG 3.4Å; F203-K207 PolarHBondContact O-N 3.1Å; F203-K207 VanDerWaalsContact O-N 3.11Å; A204-K207 PolarHBondContact O-N 2.84Å; K207-V218 HydrophobicContact CG-CB 4.34Å; K207-D220 IonicContact NZ-OD1 2.86Å; K207-D220 PolarHBondContact NZ-OD1 3.28Å
208	M	70	Confident	72.5	Confident	147 Å²	147	69.7 Å²	69.7	72%	0.724	35%	0.352	S	S	*	.	H	α-helix	trans	-69.4	-44.3	173.4	-176	-176.3	-68.2	0	0	112.2	A204 M205 A206 H210	A204-M208 WeakPolarHBondContact O-CB 3.17Å; A204-M208 PolarHBondContact O-N 2.86Å; M205-M208 WeakPolarHBondContact O-CB 3.3Å; M205-M208 PolarHBondContact O-N 2.84Å; A206-M208 VanDerWaalsContact C-N 3.34Å; M208-H210 PolarHBondContact O-N 2.86Å
209	F	68.4	Low	71.7	Confident	52 Å²	52	71.2 Å²	71.2	23%	0.228	36%	0.363	C	S	.	.	S	Bend	trans	-93	64	177.8	-62.8	-63.4	0	0	0	111.3	I173 M205 A206 W211 L212	I173-F209 HydrophobicContact CD1-CE2 4.04Å; I173-F209 HydrophobicContact CD1-CZ 4.48Å; M205-F209 HydrophobicContact CE-CE2 4.22Å; M205-F209 VanDerWaalsContact O-CD2 3.24Å; M205-F209 WeakPolarHBondContact O-CD2 3.37Å; M205-F209 PolarHBondContact O-N 3.18Å; A206-F209 CarbonylContact O-C 3.56Å; A206-F209 PolarHBondContact O-N 3.27Å; F209-W211 PolarHBondContact O-N 2.66Å; F209-L212 HydrophobicContact CB-CB 4.49Å; F209-L212 HydrophobicContact CB-CD1 3.87Å; F209-L212 HydrophobicContact CB-CG 4.36Å; F209-L212 HydrophobicContact CG-CD1 4.42Å; F209-L212 WeakPolarHBondContact O-CB 3.23Å; F209-L212 PolarHBondContact O-N 2.8Å
210	H	62	Low	71.3	Confident	127 Å²	127	70.2 Å²	70.2	59%	0.588	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-51.8	-20.8	-175.8	-158.2	-52.3	0	0	0	114.9	M208 S213 P214	M208-H210 PolarHBondContact O-N 2.86Å; H210-S213 CarbonylContact O-C 3.32Å; H210-P214 VanDerWaalsContact O-CA 3.25Å; H210-P214 WeakPolarHBondContact O-CA 3.11Å; H210-P214 WeakPolarHBondContact O-CD 3.43Å; H210-P214 VanDerWaalsContact O-N 3.1Å
211	W	62.2	Low	71.5	Confident	153 Å²	153	73.6 Å²	73.6	58%	0.58	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-76.6	-19.2	175.2	71.4	-93	0	0	0	114.6	F169 F209 S213	F169-W211 HydrophobicContact CD1-CH2 4.08Å; F169-W211 HydrophobicContact CD1-CZ2 4.32Å; F169-W211 AromaticContact CE1-CH2 3.55Å; F169-W211 HydrophobicContact CE1-CH2 3.55Å; F169-W211 AromaticContact CE1-CZ2 3.55Å; F169-W211 HydrophobicContact CE1-CZ2 3.55Å; F169-W211 HydrophobicContact CE2-CZ2 4.15Å; F169-W211 AromaticContact CZ-CH2 3.99Å; F169-W211 HydrophobicContact CZ-CH2 3.99Å; F169-W211 AromaticContact CZ-CZ2 3.45Å; F169-W211 HydrophobicContact CZ-CZ2 3.45Å; F169-W211 VanDerWaalsContact CZ-CZ2 3.45Å; F209-W211 PolarHBondContact O-N 2.66Å; W211-S213 VanDerWaalsContact C-N 3.33Å
212	L	61.8	Low	71.8	Confident	24 Å²	24	71.6 Å²	71.6	13%	0.126	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-80.5	-13.3	175.9	-80.1	170.7	0	0	0	113.1	L156 L160 F169 F209	L156-L212 HydrophobicContact CD1-CD1 4.5Å; L160-L212 HydrophobicContact CD2-CD1 4.33Å; L160-L212 HydrophobicContact CD2-CD2 3.71Å; F169-L212 HydrophobicContact CE1-CD1 4.25Å; F169-L212 HydrophobicContact CE1-CD2 4.46Å; F169-L212 HydrophobicContact CZ-CD1 4.25Å; F209-L212 HydrophobicContact CB-CB 4.49Å; F209-L212 HydrophobicContact CB-CD1 3.87Å; F209-L212 HydrophobicContact CB-CG 4.36Å; F209-L212 HydrophobicContact CG-CD1 4.42Å; F209-L212 WeakPolarHBondContact O-CB 3.23Å; F209-L212 PolarHBondContact O-N 2.8Å
213	S	58.8	Low	72.2	Confident	19 Å²	19	71.9 Å²	71.9	13%	0.133	37%	0.368	C	S	.	.	S	Bend	trans	-160.7	60	177.4	-77.5	0	0	0	0	111.6	K159 H210 W211 D215 T216	K159-S213 PolarHBondContact NZ-OG 2.89Å; H210-S213 CarbonylContact O-C 3.32Å; W211-S213 VanDerWaalsContact C-N 3.33Å; S213-D215 VanDerWaalsContact C-N 3.27Å; S213-D215 PolarHBondContact O-N 2.88Å; S213-T216 PolarHBondContact O-N 3.41Å
214	P	58.5	Low	72.8	Confident	71 Å²	71	72.2 Å²	72.2	46%	0.461	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.1	-177	25	-33.2	0	0	0	112.9	H210	H210-P214 VanDerWaalsContact O-CA 3.25Å; H210-P214 WeakPolarHBondContact O-CA 3.11Å; H210-P214 WeakPolarHBondContact O-CD 3.43Å; H210-P214 VanDerWaalsContact O-N 3.1Å
215	D	58.2	Low	73.5	Confident	155 Å²	155	70.4 Å²	70.4	83%	0.829	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	1.8	-177.7	-48.2	-69.1	0	0	0	113.7	S213	S213-D215 VanDerWaalsContact C-N 3.27Å; S213-D215 PolarHBondContact O-N 2.88Å
216	T	60	Low	74.3	Confident	43 Å²	43	73.2 Å²	73.2	26%	0.264	36%	0.36	S	S	.	.			trans	-98.1	119.5	179.7	-39.3	0	0	0	0	110.8	K159 S213 V218 M394	K159-T216 PolarHBondContact NZ-OG1 2.92Å; S213-T216 PolarHBondContact O-N 3.41Å; T216-V218 PolarHBondContact O-N 2.98Å; T216-M394 HydrophobicContact CG2-CB 4.45Å
217	Q	67.8	Low	74.9	Confident	182 Å²	182	74.8 Å²	74.8	85%	0.85	38%	0.378	S	S	*	.			trans	-65.6	97.1	163.1	-68.3	-175.1	1.6	0	0	109	P219	Q217-P219 WeakPolarHBondContact O-CD 3.24Å
218	V	72.3	Confident	75.8	Confident	27 Å²	27	73.8 Å²	73.8	16%	0.164	37%	0.374	C	S	.	.			trans	-69.2	115.9	177.1	-178.8	0	0	0	0	108.6	F203 A206 K207 T216	F203-V218 HydrophobicContact CB-CG1 3.82Å; F203-V218 HydrophobicContact CD1-CG1 3.49Å; F203-V218 VanDerWaalsContact CD1-CG1 3.49Å; F203-V218 HydrophobicContact CE1-CG1 4.36Å; F203-V218 HydrophobicContact CG-CG1 3.97Å; A206-V218 HydrophobicContact CB-CG1 4.31Å; A206-V218 HydrophobicContact CB-CG2 4.05Å; K207-V218 HydrophobicContact CG-CB 4.34Å; T216-V218 PolarHBondContact O-N 2.98Å
219	P	76.9	Confident	76.8	Confident	44 Å²	44	69 Å²	69	29%	0.286	35%	0.351	S	S	.	.			trans	-66	150	-179.1	29.3	-35.8	0	0	0	110.7	F203 Q217 R221 M394	F203-P219 HydrophobicContact CE1-CG 4.23Å; F203-P219 HydrophobicContact CZ-CG 4.2Å; Q217-P219 WeakPolarHBondContact O-CD 3.24Å; P219-R221 PolarHBondContact O-N 3Å; P219-M394 HydrophobicContact CG-CE 4.41Å
220	D	82.2	Confident	78	Confident	97 Å²	97	72.2 Å²	72.2	52%	0.519	37%	0.365	S	S	.	.	S	Bend	trans	-72.4	-19.4	-179.9	-68.2	-46.2	0	0	0	113.4	H199 K207	H199-D220 PolarHBondContact CE1-O 2.88Å; H199-D220 PolarHBondContact ND1-O 3.39Å; K207-D220 IonicContact NZ-OD1 2.86Å; K207-D220 PolarHBondContact NZ-OD1 3.28Å
221	R	90.5	Very high	79.4	Confident	82 Å²	82	68.3 Å²	68.3	31%	0.309	35%	0.35	S	S	.	.	S	Bend	trans	-143	155	-179.7	-67.9	-178	173	-172.8	3.8	111.7	T196 G197 Y198 H199 P219 Y226	T196-R221 WeakPolarHBondContact O-CD 3.49Å; T196-R221 PolarHBondContact O-NH1 2.74Å; G197-R221 WeakPolarHBondContact O-CD 3.46Å; Y198-R221 CarbonylContact O-C 3.46Å; Y198-R221 VanDerWaalsContact O-CA 3.24Å; Y198-R221 WeakPolarHBondContact O-CA 3.42Å; Y198-R221 WeakPolarHBondContact O-CB 3.43Å; H199-R221 PolarHBondContact CE1-NE 2.82Å; H199-R221 WeakPolarHBondContact ND1-CG 3.48Å; H199-R221 PolarHBondContact NE2-NE 2.82Å; H199-R221 PolarHBondContact NE2-NH2 2.87Å; P219-R221 PolarHBondContact O-N 3Å; R221-Y226 HydrophobicContact CB-CD1 4.25Å; R221-Y226 HydrophobicContact CB-CD2 4.14Å; R221-Y226 HydrophobicContact CB-CE1 3.95Å; R221-Y226 HydrophobicContact CB-CE2 3.83Å; R221-Y226 HydrophobicContact CB-CG 4.35Å; R221-Y226 HydrophobicContact CG-CE2 4.27Å
222	M	92.5	Very high	80.7	Confident	29 Å²	29	65.3 Å²	65.3	14%	0.143	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-103.1	135.9	168.7	177.9	60	-157.1	0	0	110.1	V151 P152 G197 Y198 F203 F224	V151-M222 HydrophobicContact CB-CE 3.92Å; V151-M222 HydrophobicContact CB-CG 4.49Å; V151-M222 HydrophobicContact CB-SD 4.23Å; V151-M222 HydrophobicContact CG1-CE 3.87Å; V151-M222 HydrophobicContact CG1-SD 4.11Å; V151-M222 HydrophobicContact CG2-CE 4.09Å; P152-M222 HydrophobicContact CG-CB 4.02Å; P152-M222 HydrophobicContact CG-CG 4.22Å; G197-M222 CarbonylContact C-O 3.57Å; G197-M222 WeakPolarHBondContact CA-O 3.12Å; Y198-M222 HydrophobicContact CD1-CB 4.25Å; Y198-M222 VanDerWaalsContact CD1-O 3.25Å; Y198-M222 WeakPolarHBondContact CD1-O 3.31Å; Y198-M222 HydrophobicContact CD2-CB 4.43Å; Y198-M222 HydrophobicContact CE1-CB 3.78Å; Y198-M222 HydrophobicContact CE1-CG 3.68Å; Y198-M222 HydrophobicContact CE2-CB 4Å; Y198-M222 HydrophobicContact CE2-CG 4.39Å; Y198-M222 PolarHBondContact N-O 2.97Å; Y198-M222 PolarHBondContact O-N 2.94Å; Y198-M222 WeakPolarHBondContact OH-CG 3.48Å; F203-M222 HydrophobicContact CE2-CB 3.94Å; F203-M222 HydrophobicContact CZ-CB 3.94Å; M222-F224 HydrophobicContact CE-CD1 4.06Å; M222-F224 HydrophobicContact CE-CE1 3.94Å; M222-F224 HydrophobicContact CE-CG 4.45Å; M222-F224 HydrophobicContact CE-CZ 4.22Å
223	G	93.4	Very high	82	Confident	13 Å²	13	65.9 Å²	65.9	13%	0.134	35%	0.348	C	S	.	.			trans	-174.1	144.3	165.2	0	0	0	0	0	109.4	L193 M225 Y226	L193-G223 CarbonylContact O-C 3.48Å; L193-G223 VanDerWaalsContact O-CA 3.25Å; L193-G223 WeakPolarHBondContact O-CA 3.44Å; G223-M225 PolarHBondContact O-N 2.72Å; G223-Y226 WeakPolarHBondContact O-CB 3.47Å; G223-Y226 PolarHBondContact O-N 2.89Å; G223-Y226 VanDerWaalsContact O-N 3.12Å
224	F	94.2	Very high	83.2	Confident	34 Å²	34	65.5 Å²	65.5	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	-173.6	-65.5	-74.8	0	0	0	113.3	V151 L193 M222 I448 V471 L472	V151-F224 HydrophobicContact CG2-CE1 4.14Å; V151-F224 HydrophobicContact CG2-CZ 3.83Å; L193-F224 WeakPolarHBondContact O-CD2 3.23Å; L193-F224 PolarHBondContact O-N 2.86Å; M222-F224 HydrophobicContact CE-CD1 4.06Å; M222-F224 HydrophobicContact CE-CE1 3.94Å; M222-F224 HydrophobicContact CE-CG 4.45Å; M222-F224 HydrophobicContact CE-CZ 4.22Å; F224-I448 HydrophobicContact CB-CD1 4.47Å; F224-I448 HydrophobicContact CD1-CD1 4.1Å; F224-I448 HydrophobicContact CD1-CG2 4.07Å; F224-I448 HydrophobicContact CE1-CG2 3.91Å; F224-V471 HydrophobicContact CE2-CG1 3.77Å; F224-V471 HydrophobicContact CZ-CB 4.36Å; F224-V471 HydrophobicContact CZ-CG1 3.67Å; F224-L472 HydrophobicContact CB-CD2 4.04Å; F224-L472 HydrophobicContact CD2-CD2 3.56Å; F224-L472 HydrophobicContact CE2-CD2 4.16Å; F224-L472 HydrophobicContact CG-CD2 3.78Å
225	M	92.8	Very high	84.9	Confident	22 Å²	22	64.1 Å²	64.1	11%	0.108	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	18.7	172.8	-57.9	-63.1	-81.9	0	0	111.6	M74 F129 L194 F195 G223 G227 K228	M74-M225 HydrophobicContact SD-CE 4.01Å; F129-M225 HydrophobicContact CE1-CE 4.25Å; F129-M225 HydrophobicContact CE2-CE 4.07Å; F129-M225 HydrophobicContact CZ-CE 3.73Å; L194-M225 HydrophobicContact CD2-CG 4.21Å; L194-M225 CarbonylContact O-C 3.51Å; L194-M225 VanDerWaalsContact O-CA 3.25Å; L194-M225 WeakPolarHBondContact O-CA 3.41Å; L194-M225 WeakPolarHBondContact O-CB 3.21Å; L194-M225 PolarHBondContact O-N 3.26Å; F195-M225 HydrophobicContact CD1-CB 3.59Å; F195-M225 HydrophobicContact CE1-CB 3.46Å; F195-M225 VanDerWaalsContact CE1-CB 3.46Å; F195-M225 HydrophobicContact CE1-CG 4.14Å; F195-M225 HydrophobicContact CG-CB 4.3Å; F195-M225 HydrophobicContact CZ-CB 4.06Å; F195-M225 HydrophobicContact CZ-CG 4.3Å; G223-M225 PolarHBondContact O-N 2.72Å; M225-G227 PolarHBondContact O-N 2.79Å; M225-K228 HydrophobicContact CB-CB 4.39Å; M225-K228 HydrophobicContact CE-CB 4.35Å; M225-K228 WeakPolarHBondContact O-CB 3.36Å; M225-K228 PolarHBondContact O-N 2.85Å; M225-K228 HydrophobicContact SD-CG 4.45Å
226	Y	91.3	Very high	86.5	Confident	95 Å²	95	57.2 Å²	57.2	37%	0.373	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	129.7	179.8	179.9	-102.2	0	0	0	109.6	L194 F195 R221 G223 K228	L194-Y226 PolarHBondContact O-N 3.29Å; F195-Y226 WeakPolarHBondContact O-CD2 3.4Å; R221-Y226 HydrophobicContact CB-CD1 4.25Å; R221-Y226 HydrophobicContact CB-CD2 4.14Å; R221-Y226 HydrophobicContact CB-CE1 3.95Å; R221-Y226 HydrophobicContact CB-CE2 3.83Å; R221-Y226 HydrophobicContact CB-CG 4.35Å; R221-Y226 HydrophobicContact CG-CE2 4.27Å; G223-Y226 WeakPolarHBondContact O-CB 3.47Å; G223-Y226 PolarHBondContact O-N 2.89Å; G223-Y226 VanDerWaalsContact O-N 3.12Å; Y226-K228 PolarHBondContact O-N 2.94Å
227	G	87.6	Confident	88.1	Confident	50 Å²	50	56.6 Å²	56.6	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	19.8	-173.8	0	0	0	0	0	114.7	M225 T231	M225-G227 PolarHBondContact O-N 2.79Å; G227-T231 WeakPolarHBondContact O-CG2 3.31Å; G227-T231 PolarHBondContact O-OG1 2.83Å
228	K	90.3	Very high	89.2	Confident	84 Å²	84	47.9 Å²	47.9	37%	0.365	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-31.1	167.8	-67.3	-85.3	-168.4	154.4	0	112.6	M225 Y226 T231 D319	M225-K228 HydrophobicContact CB-CB 4.39Å; M225-K228 HydrophobicContact CE-CB 4.35Å; M225-K228 WeakPolarHBondContact O-CB 3.36Å; M225-K228 PolarHBondContact O-N 2.85Å; M225-K228 HydrophobicContact SD-CG 4.45Å; Y226-K228 PolarHBondContact O-N 2.94Å; K228-T231 VanDerWaalsContact C-OG1 3.29Å; K228-T231 WeakPolarHBondContact CA-OG1 3.39Å; K228-T231 PolarHBondContact O-OG1 2.55Å; K228-D319 IonicContact NZ-OD1 3.61Å; K228-D319 PolarHBondContact NZ-OD1 2.87Å
229	N	91.8	Very high	90	Very high	46 Å²	46	49 Å²	49	25%	0.246	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	133.1	-178.2	-158.3	-1.1	0	0	0	111.9	W128 F129 F195 T231	W128-N229 WeakPolarHBondContact CA-OD1 3.34Å; W128-N229 VanDerWaalsContact CB-OD1 3.29Å; W128-N229 WeakPolarHBondContact CB-OD1 3.4Å; F129-N229 HydrophobicContact CD2-CB 4.33Å; F129-N229 PolarHBondContact N-OD1 3.49Å; F129-N229 PolarHBondContact O-ND2 2.93Å; F129-N229 VanDerWaalsContact O-ND2 3.09Å; F195-N229 HydrophobicContact CD1-CB 3.86Å; F195-N229 HydrophobicContact CE1-CB 4.11Å; N229-T231 VanDerWaalsContact C-N 3.32Å; N229-T231 WeakPolarHBondContact O-CG2 3.46Å; N229-T231 PolarHBondContact O-N 2.82Å
230	F	92.8	Very high	90.5	Very high	119 Å²	119	47 Å²	47	52%	0.522	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.4	-171.9	-59	-80.9	0	0	0	114.5	F126 K127 W128	F126-F230 WeakPolarHBondContact CE2-O 3.3Å; F126-F230 HydrophobicContact CZ-CB 4.25Å; F126-F230 HydrophobicContact CZ-CD1 4.07Å; K127-F230 VanDerWaalsContact O-CA 3.23Å; K127-F230 WeakPolarHBondContact O-CA 3.23Å; K127-F230 PolarHBondContact O-N 2.79Å; W128-F230 HydrophobicContact CB-CD1 3.47Å; W128-F230 VanDerWaalsContact CB-CD1 3.47Å; W128-F230 HydrophobicContact CB-CD2 4.22Å; W128-F230 HydrophobicContact CB-CE1 3.49Å; W128-F230 VanDerWaalsContact CB-CE1 3.49Å; W128-F230 HydrophobicContact CB-CE2 4.24Å; W128-F230 HydrophobicContact CB-CG 3.85Å; W128-F230 HydrophobicContact CB-CZ 3.89Å; W128-F230 AromaticContact CD1-CE1 3.49Å; W128-F230 VanDerWaalsContact CD1-CE1 3.49Å; W128-F230 AromaticContact CD1-CZ 3.66Å; W128-F230 HydrophobicContact CD2-CE1 4.27Å; W128-F230 AromaticContact CG-CD1 3.89Å; W128-F230 HydrophobicContact CG-CD1 3.89Å; W128-F230 AromaticContact CG-CE1 3.48Å; W128-F230 HydrophobicContact CG-CE1 3.48Å; W128-F230 VanDerWaalsContact CG-CE1 3.48Å; W128-F230 AromaticContact CG-CZ 3.99Å; W128-F230 HydrophobicContact CG-CZ 3.99Å
231	T	91.2	Very high	90.5	Very high	45 Å²	45	42.5 Å²	42.5	28%	0.276	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	170.5	-177.4	71	0	0	0	0	114.2	F126 K127 G227 K228 N229	F126-T231 WeakPolarHBondContact CA-O 3.13Å; K127-T231 PolarHBondContact N-O 3.12Å; K127-T231 PolarHBondContact O-N 3.25Å; G227-T231 WeakPolarHBondContact O-CG2 3.31Å; G227-T231 PolarHBondContact O-OG1 2.83Å; K228-T231 VanDerWaalsContact C-OG1 3.29Å; K228-T231 WeakPolarHBondContact CA-OG1 3.39Å; K228-T231 PolarHBondContact O-OG1 2.55Å; N229-T231 VanDerWaalsContact C-N 3.32Å; N229-T231 WeakPolarHBondContact O-CG2 3.46Å; N229-T231 PolarHBondContact O-N 2.82Å
232	L	90.2	Very high	90	Very high	90 Å²	90	43 Å²	43	47%	0.471	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.2	-179.1	-64.3	169.8	0	0	0	110.3	V111 Q124 N125 F126	V111-L232 HydrophobicContact CG2-CD2 3.39Å; Q124-L232 HydrophobicContact CB-CD2 4.26Å; N125-L232 WeakPolarHBondContact O-CA 3.04Å; F126-L232 HydrophobicContact CB-CD2 3.82Å; F126-L232 HydrophobicContact CD2-CD2 3.79Å; F126-L232 HydrophobicContact CD2-CG 4.35Å; F126-L232 HydrophobicContact CG-CD2 4.3Å
233	D	88.3	Confident	89.4	Confident	37 Å²	37	45.2 Å²	45.2	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	158	168.2	-179.7	49.4	0	0	0	112	Q124 N125 Y236 K255	Q124-D233 CarbonylContact C-O 3.56Å; Q124-D233 VanDerWaalsContact CA-O 3.28Å; Q124-D233 WeakPolarHBondContact CA-O 3.36Å; Q124-D233 WeakPolarHBondContact CB-O 3.19Å; N125-D233 PolarHBondContact N-O 2.99Å; N125-D233 PolarHBondContact O-N 2.81Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.49Å; D233-Y236 PolarHBondContact OD2-OH 3.31Å; D233-K255 IonicContact OD1-NZ 3.68Å; D233-K255 PolarHBondContact OD1-NZ 3.27Å
234	G	85.5	Confident	88.8	Confident	10 Å²	10	47.8 Å²	47.8	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.2	-150.4	-164.6	0	0	0	0	0	111.8	K255	G234-K255 WeakPolarHBondContact O-CE 3.27Å; G234-K255 VanDerWaalsContact O-CG 3.27Å; G234-K255 WeakPolarHBondContact O-CG 3.06Å
235	A	92.3	Very high	87.9	Confident	42 Å²	42	47.9 Å²	47.9	35%	0.347	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-67.5	150.3	6.9	0	0	0	0	0	113.7	Y123 Q124 K255	Y123-A235 CarbonylContact O-C 3.51Å; Y123-A235 WeakPolarHBondContact O-CA 3.37Å; Q124-A235 HydrophobicContact CG-CB 3.84Å; A235-K255 PolarHBondContact O-N 3.4Å
236	Y	93.2	Very high	87.2	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147	171	-64.1	-88.7	0	0	0	108.8	S122 Y123 D233 L251 Y254 P318	S122-Y236 CarbonylContact C-O 3.46Å; S122-Y236 WeakPolarHBondContact CA-O 3.33Å; Y123-Y236 HydrophobicContact CE1-CG 4.26Å; Y123-Y236 AromaticContact CE2-CD2 3.88Å; Y123-Y236 HydrophobicContact CE2-CD2 3.88Å; Y123-Y236 HydrophobicContact CE2-CG 4.34Å; Y123-Y236 AromaticContact CZ-CD2 3.93Å; Y123-Y236 AromaticContact CZ-CG 3.93Å; Y123-Y236 PolarHBondContact N-O 2.95Å; Y123-Y236 PolarHBondContact O-N 3.07Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.49Å; D233-Y236 PolarHBondContact OD2-OH 3.31Å; Y236-L251 HydrophobicContact CD1-CD1 3.93Å; Y236-Y254 AromaticContact CD1-CD2 3.88Å; Y236-Y254 HydrophobicContact CD1-CD2 3.88Å; Y236-Y254 AromaticContact CE1-CD2 3.4Å; Y236-Y254 HydrophobicContact CE1-CD2 3.4Å; Y236-Y254 VanDerWaalsContact CE1-CD2 3.4Å; Y236-Y254 AromaticContact CE1-CE2 3.83Å; Y236-Y254 HydrophobicContact CE1-CE2 3.83Å; Y236-Y254 HydrophobicContact CE1-CG 4.38Å; Y236-Y254 AromaticContact CZ-CD2 3.76Å; Y236-Y254 AromaticContact CZ-CE2 3.73Å; Y236-Y254 WeakPolarHBondContact OH-CE2 3.13Å; Y236-P318 HydrophobicContact CE1-CG 4.27Å; Y236-P318 WeakPolarHBondContact OH-CG 3.43Å
237	L	92.8	Very high	86.6	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118	165.7	-175.7	77.4	0	0	0	107.6	Y116 I121 V252 L253	Y116-L237 HydrophobicContact CD2-CD1 4.08Å; Y116-L237 HydrophobicContact CE2-CD1 3.76Å; I121-L237 CarbonylContact O-C 3.58Å; I121-L237 WeakPolarHBondContact O-CA 3Å; L237-V252 HydrophobicContact CD2-CB 4.13Å; L237-V252 HydrophobicContact CD2-CG1 4.06Å; L237-V252 HydrophobicContact CG-CB 4.28Å; L237-V252 WeakPolarHBondContact O-CA 3.46Å; L237-V252 WeakPolarHBondContact O-CB 3.46Å; L237-V252 PolarHBondContact O-N 3.11Å; L237-L253 HydrophobicContact CB-CB 3.98Å; L237-L253 HydrophobicContact CD2-CB 4.45Å; L237-L253 HydrophobicContact CD2-CD1 3.83Å; L237-L253 HydrophobicContact CD2-CG 4.07Å; L237-L253 PolarHBondContact N-O 2.92Å; L237-L253 PolarHBondContact O-N 2.93Å; L237-L253 VanDerWaalsContact O-N 3.13Å
238	I	91.1	Very high	86.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	164.9	-177.1	66.3	161.1	0	0	0	112.1	L55 W65 T120 I121 Y123 R250 L251 D299	L55-I238 HydrophobicContact CD1-CD1 3.8Å; W65-I238 HydrophobicContact CH2-CD1 4.41Å; W65-I238 HydrophobicContact CZ2-CD1 3.51Å; W65-I238 HydrophobicContact CZ2-CG1 4.33Å; T120-I238 CarbonylContact C-O 3.52Å; T120-I238 WeakPolarHBondContact CA-O 3.38Å; T120-I238 VanDerWaalsContact CB-O 3.25Å; T120-I238 WeakPolarHBondContact CB-O 2.89Å; I121-I238 HydrophobicContact CB-CG1 4.32Å; I121-I238 PolarHBondContact N-O 3.46Å; I121-I238 PolarHBondContact O-N 3.28Å; Y123-I238 HydrophobicContact CE1-CD1 4.23Å; Y123-I238 HydrophobicContact CE1-CG1 4.25Å; Y123-I238 HydrophobicContact CE1-CG2 4.06Å; I238-R250 CarbonylContact C-O 3.51Å; I238-R250 VanDerWaalsContact CA-O 3.27Å; I238-R250 WeakPolarHBondContact CA-O 3.47Å; I238-L251 HydrophobicContact CG2-CD1 4Å; I238-D299 HydrophobicContact CG2-CB 3.91Å
239	K	89.5	Confident	86.1	Confident	49 Å²	49	43.2 Å²	43.2	21%	0.213	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.9	167.2	-74.8	-77.7	-176.7	175.1	0	111.1	T120 G241 E247 G249 R250 V252	T120-K239 HydrophobicContact CG2-CD 4.08Å; K239-G241 VanDerWaalsContact C-N 3.35Å; K239-G241 PolarHBondContact O-N 3.36Å; K239-E247 HydrophobicContact CB-CB 4.1Å; K239-E247 WeakPolarHBondContact CB-O 3.32Å; K239-E247 HydrophobicContact CG-CB 4.36Å; K239-G249 PolarHBondContact O-N 3.02Å; K239-R250 HydrophobicContact CB-CB 4.19Å; K239-R250 HydrophobicContact CG-CB 4.32Å; K239-R250 PolarHBondContact N-O 2.86Å; K239-V252 HydrophobicContact CG-CG2 3.88Å
240	S	87.5	Confident	85.9	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	23%	0.225	C	C	.	.			trans	-70.8	-21.4	-176.3	57.4	0	0	0	0	115.4	L55 G119 Q242	L55-S240 WeakPolarHBondContact CB-O 3.26Å; L55-S240 PolarHBondContact N-O 2.77Å; G119-S240 VanDerWaalsContact O-CB 3.26Å; G119-S240 WeakPolarHBondContact O-CB 3.48Å; G119-S240 PolarHBondContact O-N 2.92Å; G119-S240 PolarHBondContact O-OG 2.86Å; S240-Q242 VanDerWaalsContact C-N 3.32Å; S240-Q242 WeakPolarHBondContact OG-CB 3.48Å; S240-Q242 PolarHBondContact OG-N 2.68Å
241	G	82.5	Confident	85.6	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	81.2	3.8	-163.4	0	0	0	0	0	114.8	K239 D244	K239-G241 VanDerWaalsContact C-N 3.35Å; K239-G241 PolarHBondContact O-N 3.36Å; G241-D244 CarbonylContact C-O 3.56Å; G241-D244 WeakPolarHBondContact CA-O 3.3Å; G241-D244 CarbonylContact O-C 3.55Å
242	Q	80.1	Confident	85.5	Confident	91 Å²	91	37.6 Å²	37.6	43%	0.425	20%	0.198	S	C	.	.	S	Bend	trans	-81.6	-33.9	-173.2	-167.9	-173.8	65.2	0	0	113.9	S240	S240-Q242 VanDerWaalsContact C-N 3.32Å; S240-Q242 WeakPolarHBondContact OG-CB 3.48Å; S240-Q242 PolarHBondContact OG-N 2.68Å
243	T	79.7	Confident	85.5	Confident	77 Å²	77	35.8 Å²	35.8	47%	0.472	19%	0.188	S	C	.	.	S	Bend	trans	-81.4	-48.6	177.5	49.9	0	0	0	0	111.3
244	D	79.8	Confident	85.6	Confident	66 Å²	66	35.4 Å²	35.4	35%	0.353	18%	0.184	S	C	.	.			trans	-134.7	139.7	169.9	-167	-32.7	0	0	0	106.5	G241 L246 E247	G241-D244 CarbonylContact C-O 3.56Å; G241-D244 WeakPolarHBondContact CA-O 3.3Å; G241-D244 CarbonylContact O-C 3.55Å; D244-L246 PolarHBondContact OD1-N 2.77Å; D244-E247 HydrophobicContact CB-CB 4.45Å; D244-E247 HydrophobicContact CB-CG 3.95Å
245	Y	75.8	Confident	85.8	Confident	36 Å²	36	40.1 Å²	40.1	14%	0.141	20%	0.202	C	C	.	.	S	Bend	trans	-82.8	-21	-177.7	67	-91.5	0	0	0	112.8	R34 L38 E247 R248 P305 F306	R34-Y245 PolarHBondContact NH2-OH 3.46Å; L38-Y245 HydrophobicContact CD2-CD1 3.58Å; L38-Y245 HydrophobicContact CD2-CD2 3.69Å; L38-Y245 HydrophobicContact CD2-CE1 3.77Å; L38-Y245 HydrophobicContact CD2-CE2 3.86Å; L38-Y245 HydrophobicContact CD2-CG 3.54Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-R248 VanDerWaalsContact O-CB 3.32Å; Y245-R248 WeakPolarHBondContact O-CB 3.42Å; Y245-R248 PolarHBondContact O-N 2.93Å; Y245-P305 HydrophobicContact CD2-CG 3.75Å; Y245-P305 HydrophobicContact CE2-CG 4.08Å; Y245-F306 HydrophobicContact CE2-CD2 4.1Å; Y245-F306 AromaticContact CE2-CE2 3.88Å; Y245-F306 HydrophobicContact CE2-CE2 3.88Å
246	L	77.4	Confident	85.7	Confident	93 Å²	93	41 Å²	41	49%	0.487	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-36.5	175.8	-64	172.3	0	0	0	110.9	D244 R248	D244-L246 PolarHBondContact OD1-N 2.77Å; L246-R248 PolarHBondContact O-N 2.85Å
247	E	80.4	Confident	85.5	Confident	38 Å²	38	44.9 Å²	44.9	18%	0.178	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-6.1	174.8	-69.8	-79.8	110	0	0	114.5	K239 D244 Y245 G249 R250	K239-E247 HydrophobicContact CB-CB 4.1Å; K239-E247 WeakPolarHBondContact CB-O 3.32Å; K239-E247 HydrophobicContact CG-CB 4.36Å; D244-E247 HydrophobicContact CB-CB 4.45Å; D244-E247 HydrophobicContact CB-CG 3.95Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; E247-G249 PolarHBondContact O-N 3.08Å; E247-R250 VanDerWaalsContact CD-NH1 3.26Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.46Å; E247-R250 IonicContact OE1-CZ 2.76Å; E247-R250 IonicContact OE1-NE 2.79Å; E247-R250 IonicContact OE1-NH1 3.34Å; E247-R250 PolarHBondContact OE1-NH1 3.33Å; E247-R250 WeakPolarHBondContact OE2-CD 3.4Å; E247-R250 IonicContact OE2-CZ 3.31Å; E247-R250 IonicContact OE2-NH1 3.84Å; E247-R250 PolarHBondContact OE2-NH1 2.66Å; E247-R250 VanDerWaalsContact OE2-NH1 3.13Å
248	R	82	Confident	85.2	Confident	22 Å²	22	45.6 Å²	45.6	8%	0.083	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	125.6	-171.9	-177.9	-176.8	67.5	160.7	3.2	111.9	I53 Y245 L246 R250 V302 N303 S436	I53-R248 WeakPolarHBondContact O-CD 3.38Å; I53-R248 PolarHBondContact O-NH1 3.05Å; Y245-R248 VanDerWaalsContact O-CB 3.32Å; Y245-R248 WeakPolarHBondContact O-CB 3.42Å; Y245-R248 PolarHBondContact O-N 2.93Å; L246-R248 PolarHBondContact O-N 2.85Å; R248-R250 VanDerWaalsContact C-N 3.27Å; R248-V302 HydrophobicContact CG-CG1 3.83Å; R248-N303 PolarHBondContact NH2-O 2.76Å; R248-S436 PolarHBondContact NH2-O 3.35Å; R248-S436 VanDerWaalsContact NH2-O 3.11Å
249	G	84.5	Confident	84.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.1	177.5	0	0	0	0	0	114.1	K239 E247 L251 D299	K239-G249 PolarHBondContact O-N 3.02Å; E247-G249 PolarHBondContact O-N 3.08Å; G249-L251 PolarHBondContact O-N 2.71Å; G249-D299 PolarHBondContact O-N 2.87Å
250	R	86.6	Confident	84.8	Confident	57 Å²	57	46.1 Å²	46.1	22%	0.215	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-59	125.7	173.7	-175.4	-177.4	178.8	-178.9	4.4	110.7	I238 K239 E247 R248 H295	I238-R250 CarbonylContact C-O 3.51Å; I238-R250 VanDerWaalsContact CA-O 3.27Å; I238-R250 WeakPolarHBondContact CA-O 3.47Å; K239-R250 HydrophobicContact CB-CB 4.19Å; K239-R250 HydrophobicContact CG-CB 4.32Å; K239-R250 PolarHBondContact N-O 2.86Å; E247-R250 VanDerWaalsContact CD-NH1 3.26Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.46Å; E247-R250 IonicContact OE1-CZ 2.76Å; E247-R250 IonicContact OE1-NE 2.79Å; E247-R250 IonicContact OE1-NH1 3.34Å; E247-R250 PolarHBondContact OE1-NH1 3.33Å; E247-R250 WeakPolarHBondContact OE2-CD 3.4Å; E247-R250 IonicContact OE2-CZ 3.31Å; E247-R250 IonicContact OE2-NH1 3.84Å; E247-R250 PolarHBondContact OE2-NH1 2.66Å; E247-R250 VanDerWaalsContact OE2-NH1 3.13Å; R248-R250 VanDerWaalsContact C-N 3.27Å; R250-H295 PolarHBondContact NE-O 3.27Å; R250-H295 PolarHBondContact NH2-O 2.95Å
251	L	88.1	Confident	84.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128	-178.7	-173.8	57.6	0	0	0	110.5	Y236 I238 G249 L253 I271 L297 D299 F316	Y236-L251 HydrophobicContact CD1-CD1 3.93Å; I238-L251 HydrophobicContact CG2-CD1 4Å; G249-L251 PolarHBondContact O-N 2.71Å; L251-L253 WeakPolarHBondContact CD1-O 3.24Å; L251-I271 HydrophobicContact CD2-CG2 3.38Å; L251-I271 HydrophobicContact CG-CG2 3.91Å; L251-L297 WeakPolarHBondContact CB-O 3.34Å; L251-L297 PolarHBondContact N-O 2.89Å; L251-D299 HydrophobicContact CD1-CB 4.44Å; L251-F316 HydrophobicContact CD2-CB 3.64Å; L251-F316 HydrophobicContact CD2-CD1 3.84Å; L251-F316 HydrophobicContact CD2-CG 3.97Å
252	V	88.2	Confident	84.9	Confident	35 Å²	35	52.4 Å²	52.4	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-44.6	-179.4	-172.6	0	0	0	0	110.5	T120 L237 K239 N272	T120-V252 HydrophobicContact CG2-CG2 4.08Å; L237-V252 HydrophobicContact CD2-CB 4.13Å; L237-V252 HydrophobicContact CD2-CG1 4.06Å; L237-V252 HydrophobicContact CG-CB 4.28Å; L237-V252 WeakPolarHBondContact O-CA 3.46Å; L237-V252 WeakPolarHBondContact O-CB 3.46Å; L237-V252 PolarHBondContact O-N 3.11Å; K239-V252 HydrophobicContact CG-CG2 3.88Å; V252-N272 PolarHBondContact O-ND2 3.21Å
253	L	90.5	Very high	85.2	Confident	52 Å²	52	48.6 Å²	48.6	27%	0.272	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.4	173.1	-58.2	171.7	0	0	0	110.8	L237 L251 K257	L237-L253 HydrophobicContact CB-CB 3.98Å; L237-L253 HydrophobicContact CD2-CB 4.45Å; L237-L253 HydrophobicContact CD2-CD1 3.83Å; L237-L253 HydrophobicContact CD2-CG 4.07Å; L237-L253 PolarHBondContact N-O 2.92Å; L237-L253 PolarHBondContact O-N 2.93Å; L237-L253 VanDerWaalsContact O-N 3.13Å; L251-L253 WeakPolarHBondContact CD1-O 3.24Å; L253-K257 VanDerWaalsContact CA-O 3.3Å; L253-K257 WeakPolarHBondContact CA-O 3.13Å; L253-K257 VanDerWaalsContact CD2-C 3.46Å
254	Y	89.9	Confident	85.4	Confident	28 Å²	28	48.2 Å²	48.2	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	166.2	165.3	-112.8	0	0	0	109	Y236 G256 K257 I271 F316 P318	Y236-Y254 AromaticContact CD1-CD2 3.88Å; Y236-Y254 HydrophobicContact CD1-CD2 3.88Å; Y236-Y254 AromaticContact CE1-CD2 3.4Å; Y236-Y254 HydrophobicContact CE1-CD2 3.4Å; Y236-Y254 VanDerWaalsContact CE1-CD2 3.4Å; Y236-Y254 AromaticContact CE1-CE2 3.83Å; Y236-Y254 HydrophobicContact CE1-CE2 3.83Å; Y236-Y254 HydrophobicContact CE1-CG 4.38Å; Y236-Y254 AromaticContact CZ-CD2 3.76Å; Y236-Y254 AromaticContact CZ-CE2 3.73Å; Y236-Y254 WeakPolarHBondContact OH-CE2 3.13Å; Y254-G256 PolarHBondContact O-N 3.47Å; Y254-G256 VanDerWaalsContact O-N 3.08Å; Y254-K257 PolarHBondContact N-O 3.16Å; Y254-K257 PolarHBondContact O-N 3.33Å; Y254-I271 HydrophobicContact CD1-CD1 3.96Å; Y254-F316 AromaticContact CD1-CE1 3.55Å; Y254-F316 HydrophobicContact CD1-CE1 3.55Å; Y254-F316 AromaticContact CD1-CZ 3.81Å; Y254-F316 HydrophobicContact CD1-CZ 3.81Å; Y254-F316 HydrophobicContact CD2-CE1 4.35Å; Y254-F316 AromaticContact CE1-CE1 3.72Å; Y254-F316 HydrophobicContact CE1-CE1 3.72Å; Y254-F316 AromaticContact CE1-CZ 3.91Å; Y254-F316 HydrophobicContact CE1-CZ 3.91Å; Y254-F316 AromaticContact CG-CE1 3.86Å; Y254-F316 HydrophobicContact CG-CE1 3.86Å; Y254-P318 HydrophobicContact CE2-CB 4.39Å
255	K	90.6	Very high	85.4	Confident	109 Å²	109	46.7 Å²	46.7	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	35.7	-175.4	-71.7	168.8	-178.1	158.6	0	112.8	D233 G234 A235 K257	D233-K255 IonicContact OD1-NZ 3.68Å; D233-K255 PolarHBondContact OD1-NZ 3.27Å; G234-K255 WeakPolarHBondContact O-CE 3.27Å; G234-K255 VanDerWaalsContact O-CG 3.27Å; G234-K255 WeakPolarHBondContact O-CG 3.06Å; A235-K255 PolarHBondContact O-N 3.4Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.43Å
256	G	90.3	Very high	85.6	Confident	61 Å²	61	47.6 Å²	47.6	63%	0.629	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-2.4	-179.6	0	0	0	0	0	115.9	Y254	Y254-G256 PolarHBondContact O-N 3.47Å; Y254-G256 VanDerWaalsContact O-N 3.08Å
257	K	89.2	Confident	85.7	Confident	91 Å²	91	45.2 Å²	45.2	40%	0.396	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-106.7	150.5	179.9	-53.9	-174.4	-172.6	177.3	0	112.4	L253 Y254 K255 S259 D261	L253-K257 VanDerWaalsContact CA-O 3.3Å; L253-K257 WeakPolarHBondContact CA-O 3.13Å; L253-K257 VanDerWaalsContact CD2-C 3.46Å; Y254-K257 PolarHBondContact N-O 3.16Å; Y254-K257 PolarHBondContact O-N 3.33Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.43Å; K257-S259 WeakPolarHBondContact CB-O 3.47Å; K257-D261 IonicContact NZ-OD1 3.64Å; K257-D261 PolarHBondContact NZ-OD1 2.04Å; K257-D261 IonicContact NZ-OD2 2.64Å; K257-D261 PolarHBondContact NZ-OD2 3.07Å
258	S	84.8	Confident	85.9	Confident	46 Å²	46	43.6 Å²	43.6	32%	0.322	25%	0.247	S	C	.	.	S	Bend	trans	-89.2	-12.7	170.3	46.5	0	0	0	0	113.5	I271 N272	S258-I271 WeakPolarHBondContact O-CA 3.08Å; S258-I271 WeakPolarHBondContact O-CB 3.43Å; S258-I271 PolarHBondContact O-N 2.72Å; S258-N272 VanDerWaalsContact CB-ND2 3.26Å; S258-N272 WeakPolarHBondContact CB-ND2 3.49Å; S258-N272 PolarHBondContact O-N 3.25Å; S258-N272 VanDerWaalsContact O-N 3.09Å
259	S	86	Confident	86.1	Confident	46 Å²	46	43.4 Å²	43.4	32%	0.322	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-137.4	154.3	174.7	70.4	0	0	0	0	109.9	K257 N269	K257-S259 WeakPolarHBondContact CB-O 3.47Å; S259-N269 CarbonylContact C-O 3.5Å; S259-N269 WeakPolarHBondContact CA-O 3.34Å; S259-N269 VanDerWaalsContact CB-O 3.23Å; S259-N269 WeakPolarHBondContact CB-O 3.41Å
260	V	87.4	Confident	85.9	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.085	25%	0.249	C	C	.	.			trans	-75.5	171.3	157.8	-70.2	0	0	0	0	109.4	V262 N269 I271 F316	V260-V262 HydrophobicContact CB-CB 4.42Å; V260-V262 HydrophobicContact CB-CG2 4.12Å; V260-V262 HydrophobicContact CG2-CB 4.35Å; V260-N269 HydrophobicContact CG2-CB 4.2Å; V260-N269 WeakPolarHBondContact CG2-O 3.49Å; V260-N269 WeakPolarHBondContact CG2-OD1 3.45Å; V260-N269 PolarHBondContact N-O 3.47Å; V260-N269 WeakPolarHBondContact O-CB 3.2Å; V260-N269 PolarHBondContact O-OD1 3.12Å; V260-I271 HydrophobicContact CG1-CD1 3.73Å; V260-I271 HydrophobicContact CG1-CG1 4.16Å; V260-F316 HydrophobicContact CG1-CE2 4.12Å; V260-F316 HydrophobicContact CG1-CZ 4.01Å
261	D	86.2	Confident	85.4	Confident	124 Å²	124	41 Å²	41	66%	0.663	24%	0.239	S	C	*	.	S	Bend	trans	-128.6	51	176.5	44.2	-15.9	0	0	0	109.8	K257	K257-D261 IonicContact NZ-OD1 3.64Å; K257-D261 PolarHBondContact NZ-OD1 2.04Å; K257-D261 IonicContact NZ-OD2 2.64Å; K257-D261 PolarHBondContact NZ-OD2 3.07Å
262	V	86.2	Confident	84.2	Confident	13 Å²	13	41.8 Å²	41.8	8%	0.079	24%	0.243	C	C	.	.			trans	-120.7	-32.3	-168.1	175.2	0	0	0	0	112.4	V260 N269 W361 K391 C392	V260-V262 HydrophobicContact CB-CB 4.42Å; V260-V262 HydrophobicContact CB-CG2 4.12Å; V260-V262 HydrophobicContact CG2-CB 4.35Å; V262-N269 PolarHBondContact N-OD1 3.26Å; V262-W361 WeakPolarHBondContact O-CZ2 3.34Å; V262-W361 PolarHBondContact O-NE1 3.27Å; V262-K391 HydrophobicContact CG1-CB 4.01Å; V262-C392 HydrophobicContact CG1-CB 4.18Å; V262-C392 HydrophobicContact CG2-CB 4.38Å
263	W	86.7	Confident	82.3	Confident	12 Å²	12	40.5 Å²	40.5	5%	0.045	24%	0.237	C	C	.	.	S	Bend	trans	-107.1	170.3	-168.8	-54	111.5	0	0	0	112.9	N269 C321 R322 G358 F359 W361 L387 N388 V389	W263-N269 PolarHBondContact N-OD1 2.85Å; W263-N269 PolarHBondContact O-ND2 3.41Å; W263-C321 PolarHBondContact NE1-O 2.84Å; W263-R322 HydrophobicContact CZ2-CB 4.15Å; W263-G358 WeakPolarHBondContact CB-O 3.5Å; W263-F359 AromaticContact CD2-CD1 3.63Å; W263-F359 HydrophobicContact CD2-CD1 3.63Å; W263-F359 HydrophobicContact CD2-CE1 4.28Å; W263-F359 AromaticContact CE2-CD1 3.8Å; W263-F359 HydrophobicContact CE3-CB 4.19Å; W263-F359 AromaticContact CE3-CD1 3.96Å; W263-F359 HydrophobicContact CE3-CD1 3.96Å; W263-F359 AromaticContact CG-CD1 3.9Å; W263-F359 HydrophobicContact CG-CD1 3.9Å; W263-F359 HydrophobicContact CG-CE1 4.18Å; W263-F359 HydrophobicContact CZ2-CD1 4.27Å; W263-F359 HydrophobicContact CZ3-CB 4.29Å; W263-F359 HydrophobicContact CZ3-CD1 4.39Å; W263-F359 WeakPolarHBondContact CZ3-O 3.42Å; W263-W361 AromaticContact CE3-CD1 3.78Å; W263-W361 AromaticContact CE3-NE1 3.92Å; W263-W361 AromaticContact CZ3-CD1 3.91Å; W263-L387 HydrophobicContact CH2-CD1 3.87Å; W263-L387 HydrophobicContact CH2-CD2 4.39Å; W263-L387 HydrophobicContact CH2-CG 4.14Å; W263-L387 HydrophobicContact CZ3-CD1 4.29Å; W263-N388 WeakPolarHBondContact CH2-O 3.05Å; W263-N388 WeakPolarHBondContact CZ3-O 3.41Å; W263-V389 HydrophobicContact CH2-CG1 4.38Å
264	A	83	Confident	80	Confident	69 Å²	69	42 Å²	42	57%	0.57	25%	0.252	S	S	*	.	S	Bend	trans	-76.9	-25.8	-168.7	0	0	0	0	0	115	G358	A264-G358 PolarHBondContact N-O 3.38Å
265	D	80.2	Confident	77.7	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-129.6	171.9	-179.5	72.6	59.6	0	0	0	113.1	W267 S268 N269 G358	D265-W267 WeakPolarHBondContact OD1-CA 3.46Å; D265-W267 WeakPolarHBondContact OD1-CB 3.28Å; D265-W267 PolarHBondContact OD1-N 3.17Å; D265-S268 PolarHBondContact OD1-N 3.33Å; D265-S268 PolarHBondContact OD1-OG 2.86Å; D265-S268 PolarHBondContact OD2-OG 3.15Å; D265-N269 PolarHBondContact O-N 2.84Å; D265-N269 PolarHBondContact O-ND2 2.88Å; D265-G358 WeakPolarHBondContact OD2-CA 3.47Å; D265-G358 PolarHBondContact OD2-N 3.5Å
266	V	80.7	Confident	75.2	Confident	54 Å²	54	45.7 Å²	45.7	33%	0.327	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-40.8	-176.4	-178.6	0	0	0	0	112.5	N269 M270	V266-N269 PolarHBondContact O-N 2.76Å; V266-M270 HydrophobicContact CG1-SD 4.28Å; V266-M270 WeakPolarHBondContact O-CG 3.05Å; V266-M270 PolarHBondContact O-N 2.65Å
267	W	77.5	Confident	72.9	Confident	43 Å²	43	44.6 Å²	44.6	16%	0.163	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-47.4	-176.9	-70.3	99.3	0	0	0	111.6	D265 N269 M270 V283 R291	D265-W267 WeakPolarHBondContact OD1-CA 3.46Å; D265-W267 WeakPolarHBondContact OD1-CB 3.28Å; D265-W267 PolarHBondContact OD1-N 3.17Å; W267-N269 PolarHBondContact O-N 3.16Å; W267-N269 VanDerWaalsContact O-N 3.16Å; W267-M270 HydrophobicContact CD2-SD 4.12Å; W267-M270 HydrophobicContact CE3-CE 3.94Å; W267-M270 HydrophobicContact CE3-SD 3.73Å; W267-M270 HydrophobicContact CH2-CE 4.47Å; W267-M270 HydrophobicContact CZ3-CE 3.75Å; W267-M270 HydrophobicContact CZ3-SD 4.09Å; W267-M270 PolarHBondContact O-N 2.79Å; W267-V283 HydrophobicContact CZ2-CG1 4.02Å; W267-V283 HydrophobicContact CZ2-CG2 4.25Å; W267-R291 HydrophobicContact CH2-CB 3.97Å; W267-R291 HydrophobicContact CH2-CG 3.68Å; W267-R291 HydrophobicContact CZ2-CG 4.26Å; W267-R291 HydrophobicContact CZ3-CB 4.29Å; W267-R291 HydrophobicContact CZ3-CG 4.2Å
268	S	85.5	Confident	70.6	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.028	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.9	176.6	-61.9	0	0	0	0	112.2	D265 G358 F359	D265-S268 PolarHBondContact OD1-N 3.33Å; D265-S268 PolarHBondContact OD1-OG 2.86Å; D265-S268 PolarHBondContact OD2-OG 3.15Å; S268-G358 WeakPolarHBondContact OG-CA 3.46Å; S268-F359 VanDerWaalsContact O-CE1 3.26Å; S268-F359 WeakPolarHBondContact O-CE1 3.41Å
269	N	86.7	Confident	68.5	Low	18 Å²	18	48.5 Å²	48.5	10%	0.096	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.2	176.3	-79.7	-61.2	0	0	0	114.9	S259 V260 V262 W263 D265 V266 W267 I271	S259-N269 CarbonylContact C-O 3.5Å; S259-N269 WeakPolarHBondContact CA-O 3.34Å; S259-N269 VanDerWaalsContact CB-O 3.23Å; S259-N269 WeakPolarHBondContact CB-O 3.41Å; V260-N269 HydrophobicContact CG2-CB 4.2Å; V260-N269 WeakPolarHBondContact CG2-O 3.49Å; V260-N269 WeakPolarHBondContact CG2-OD1 3.45Å; V260-N269 PolarHBondContact N-O 3.47Å; V260-N269 WeakPolarHBondContact O-CB 3.2Å; V260-N269 PolarHBondContact O-OD1 3.12Å; V262-N269 PolarHBondContact N-OD1 3.26Å; W263-N269 PolarHBondContact N-OD1 2.85Å; W263-N269 PolarHBondContact O-ND2 3.41Å; D265-N269 PolarHBondContact O-N 2.84Å; D265-N269 PolarHBondContact O-ND2 2.88Å; V266-N269 PolarHBondContact O-N 2.76Å; W267-N269 PolarHBondContact O-N 3.16Å; W267-N269 VanDerWaalsContact O-N 3.16Å; N269-I271 PolarHBondContact O-N 2.87Å
270	M	79.6	Confident	66.4	Low	5 Å²	5	51.4 Å²	51.4	3%	0.025	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-71.7	125.9	-171.9	-83.2	160.5	66.1	0	0	113.8	V266 W267 S323	V266-M270 HydrophobicContact CG1-SD 4.28Å; V266-M270 WeakPolarHBondContact O-CG 3.05Å; V266-M270 PolarHBondContact O-N 2.65Å; W267-M270 HydrophobicContact CD2-SD 4.12Å; W267-M270 HydrophobicContact CE3-CE 3.94Å; W267-M270 HydrophobicContact CE3-SD 3.73Å; W267-M270 HydrophobicContact CH2-CE 4.47Å; W267-M270 HydrophobicContact CZ3-CE 3.75Å; W267-M270 HydrophobicContact CZ3-SD 4.09Å; W267-M270 PolarHBondContact O-N 2.79Å; M270-S323 PolarHBondContact O-OG 3.29Å
271	I	77.1	Confident	64.4	Low	1 Å²	1	58.4 Å²	58.4	1%	0.005	34%	0.338	C	S	.	.	S	Bend	trans	-100.1	-24.6	169.9	-51.5	175	0	0	0	110.3	L251 Y254 S258 V260 N269 L297 F316	L251-I271 HydrophobicContact CD2-CG2 3.38Å; L251-I271 HydrophobicContact CG-CG2 3.91Å; Y254-I271 HydrophobicContact CD1-CD1 3.96Å; S258-I271 WeakPolarHBondContact O-CA 3.08Å; S258-I271 WeakPolarHBondContact O-CB 3.43Å; S258-I271 PolarHBondContact O-N 2.72Å; V260-I271 HydrophobicContact CG1-CD1 3.73Å; V260-I271 HydrophobicContact CG1-CG1 4.16Å; N269-I271 PolarHBondContact O-N 2.87Å; I271-L297 WeakPolarHBondContact O-CD1 3.4Å; I271-F316 HydrophobicContact CB-CD2 4.44Å; I271-F316 HydrophobicContact CD1-CE2 4.16Å; I271-F316 HydrophobicContact CD1-CZ 4.09Å; I271-F316 HydrophobicContact CG1-CD2 4.05Å; I271-F316 HydrophobicContact CG1-CE2 3.78Å; I271-F316 HydrophobicContact CG1-CZ 4.22Å; I271-F316 HydrophobicContact CG2-CB 4.36Å; I271-F316 HydrophobicContact CG2-CD1 4.25Å; I271-F316 HydrophobicContact CG2-CD2 4.04Å; I271-F316 HydrophobicContact CG2-CE2 4.44Å; I271-F316 HydrophobicContact CG2-CG 3.94Å
272	N	63	Low	62.4	Low	18 Å²	18	57.1 Å²	57.1	10%	0.096	33%	0.326	C	S	.	.	S	Bend	trans	-134.1	163.8	168	79.4	24.8	0	0	0	110.5	V252 S258 S274	V252-N272 PolarHBondContact O-ND2 3.21Å; S258-N272 VanDerWaalsContact CB-ND2 3.26Å; S258-N272 WeakPolarHBondContact CB-ND2 3.49Å; S258-N272 PolarHBondContact O-N 3.25Å; S258-N272 VanDerWaalsContact O-N 3.09Å; N272-S274 PolarHBondContact O-N 3.44Å; N272-S274 VanDerWaalsContact O-N 3.16Å; N272-S274 WeakPolarHBondContact OD1-CB 3.34Å; N272-S274 PolarHBondContact OD1-N 2.89Å; N272-S274 PolarHBondContact OD1-OG 3.45Å
273	G	47.7	Very low	60.4	Low	9 Å²	9	57.5 Å²	57.5	9%	0.093	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	2.9	179.9	0	0	0	0	0	116.7	G275 H295	G273-G275 PolarHBondContact O-N 2.85Å; G273-H295 PolarHBondContact O-CE1 2.68Å
274	S	41	Very low	58.5	Low	83 Å²	83	61.1 Å²	61.1	58%	0.58	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	13.3	-175.6	86.4	0	0	0	0	114.1	N272 Q276	N272-S274 PolarHBondContact O-N 3.44Å; N272-S274 VanDerWaalsContact O-N 3.16Å; N272-S274 WeakPolarHBondContact OD1-CB 3.34Å; N272-S274 PolarHBondContact OD1-N 2.89Å; N272-S274 PolarHBondContact OD1-OG 3.45Å; S274-Q276 PolarHBondContact O-N 2.04Å
275	G	41.7	Very low	57	Low	23 Å²	23	62.8 Å²	62.8	24%	0.237	36%	0.355	C	S	.	.			trans	-69.7	86.4	174.2	0	0	0	0	0	111.9	G273 S277	G273-G275 PolarHBondContact O-N 2.85Å; G275-S277 PolarHBondContact O-N 2.94Å
276	Q	39	Very low	55.6	Low	192 Å²	192	62.6 Å²	62.6	90%	0.897	35%	0.352	S	S	*	.			trans	-66	96.9	176.4	-170.6	175.1	96.6	0	0	110.2	S274 S278	S274-Q276 PolarHBondContact O-N 2.04Å; Q276-S278 PolarHBondContact O-N 3.18Å
277	S	42.1	Very low	54.4	Low	37 Å²	37	63.7 Å²	63.7	26%	0.259	36%	0.359	S	S	.	.			trans	-67.5	114.4	-172.2	168.6	0	0	0	0	113.2	G275 N279 V283	G275-S277 PolarHBondContact O-N 2.94Å; S277-N279 PolarHBondContact OG-N 2.82Å; S277-V283 WeakPolarHBondContact OG-CG2 3.4Å
278	S	40.9	Very low	53.3	Low	102 Å²	102	68.5 Å²	68.5	71%	0.713	38%	0.383	S	S	*	.			trans	-84.9	-23.3	165.1	52.2	0	0	0	0	113.9	Q276 T280	Q276-S278 PolarHBondContact O-N 3.18Å; S278-T280 PolarHBondContact O-N 3Å
279	N	39.6	Very low	51.8	Low	118 Å²	118	74.2 Å²	74.2	63%	0.631	41%	0.413	S	S	*	.			trans	-92.7	79.3	179.6	-82.6	-5.2	0	0	0	111.5	S277 H281 V283	S277-N279 PolarHBondContact OG-N 2.82Å; N279-H281 PolarHBondContact O-N 2.92Å; N279-V283 WeakPolarHBondContact O-CG2 3.26Å
280	T	43	Very low	50.3	Low	106 Å²	106	76.4 Å²	76.4	65%	0.65	42%	0.423	S	S	*	.	H	α-helix	trans	-55.5	-20.7	-176.8	48.9	0	0	0	0	115.9	S278 F282 V283	S278-T280 PolarHBondContact O-N 3Å; T280-F282 PolarHBondContact O-N 2.8Å; T280-V283 PolarHBondContact O-N 2.84Å
281	H	45.7	Very low	49.1	Very low	162 Å²	162	79.3 Å²	79.3	75%	0.75	43%	0.434	S	S	*	.	H	α-helix	trans	-74.2	-18.3	-163.4	-143.1	-53	0	0	0	116.1	N279	N279-H281 PolarHBondContact O-N 2.92Å
282	F	42.8	Very low	47.9	Very low	96 Å²	96	85.7 Å²	85.7	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-105.6	-25.3	171.5	-81.3	-90.4	0	0	0	112.8	T280 S284 L285 V354 A357	T280-F282 PolarHBondContact O-N 2.8Å; F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 3.03Å; F282-L285 HydrophobicContact CD1-CD1 4.19Å; F282-L285 WeakPolarHBondContact O-CB 3.46Å; F282-L285 PolarHBondContact O-N 2.9Å; F282-V354 HydrophobicContact CE1-CG1 4.4Å; F282-A357 HydrophobicContact CE1-CB 4.4Å
283	V	44.8	Very low	47.4	Very low	22 Å²	22	87.1 Å²	87.1	13%	0.133	47%	0.471	C	S	.	.	H	α-helix	trans	-57.7	-39.7	-177.4	-179	0	0	0	0	112.1	W267 S277 N279 T280 L285 F286 R291	W267-V283 HydrophobicContact CZ2-CG1 4.02Å; W267-V283 HydrophobicContact CZ2-CG2 4.25Å; S277-V283 WeakPolarHBondContact OG-CG2 3.4Å; N279-V283 WeakPolarHBondContact O-CG2 3.26Å; T280-V283 PolarHBondContact O-N 2.84Å; V283-L285 PolarHBondContact O-N 3.23Å; V283-L285 VanDerWaalsContact O-N 3.17Å; V283-F286 PolarHBondContact O-N 3.16Å; V283-R291 PolarHBondContact O-NE 2.91Å; V283-R291 PolarHBondContact O-NH2 2.85Å
284	S	47.5	Very low	47.6	Very low	87 Å²	87	89 Å²	89	61%	0.608	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9	-177.2	52.2	0	0	0	0	114.6	F282	F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 3.03Å
285	L	50.8	Low	48.1	Very low	105 Å²	105	88.5 Å²	88.5	55%	0.55	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.3	176.5	-58.5	176.2	0	0	0	112.7	F282 V283 V354	F282-L285 HydrophobicContact CD1-CD1 4.19Å; F282-L285 WeakPolarHBondContact O-CB 3.46Å; F282-L285 PolarHBondContact O-N 2.9Å; V283-L285 PolarHBondContact O-N 3.23Å; V283-L285 VanDerWaalsContact O-N 3.17Å; L285-V354 HydrophobicContact CD1-CG1 3.65Å
286	F	51.7	Low	49.3	Very low	29 Å²	29	92.8 Å²	92.8	13%	0.127	48%	0.479	C	S	.	.	S	Bend	trans	-88.3	136.3	175.1	-62.5	-94.5	0	0	0	110.3	V283 E290 R291 E355	V283-F286 PolarHBondContact O-N 3.16Å; F286-E290 HydrophobicContact CB-CB 4.39Å; F286-E290 HydrophobicContact CD1-CB 4.32Å; F286-R291 HydrophobicContact CB-CG 4.02Å; F286-R291 PolarHBondContact O-NE 2.85Å; F286-R291 PolarHBondContact O-NH2 3.29Å; F286-E355 HydrophobicContact CD1-CG 4.17Å; F286-E355 HydrophobicContact CE1-CB 3.7Å; F286-E355 HydrophobicContact CE1-CG 3.52Å; F286-E355 HydrophobicContact CZ-CB 3.77Å; F286-E355 HydrophobicContact CZ-CG 3.88Å
287	T	54.6	Low	51.2	Low	77 Å²	77	83.6 Å²	83.6	47%	0.472	44%	0.436	S	S	.	.			trans	-66.2	163.1	168.1	64	0	0	0	0	111.3	N289 E290 R291	T287-N289 VanDerWaalsContact C-N 3.34Å; T287-N289 PolarHBondContact O-N 3.19Å; T287-E290 VanDerWaalsContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CB-OE2 3.28Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.07Å; T287-E290 PolarHBondContact N-OE2 3Å; T287-E290 PolarHBondContact O-N 3.45Å; T287-E290 VanDerWaalsContact OG1-CD 3.24Å; T287-E290 VanDerWaalsContact OG1-CG 3.3Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 3.06Å; T287-E290 PolarHBondContact OG1-OE2 3.4Å; T287-R291 WeakPolarHBondContact O-CG 3.48Å; T287-R291 PolarHBondContact O-N 3.16Å
288	E	55.6	Low	53.1	Low	144 Å²	144	82.3 Å²	82.3	67%	0.673	43%	0.426	S	S	*	.	H	α-helix	trans	-62.9	-41.2	179.8	-64.1	-173.3	131.3	0	0	111.6	E290 R291 E292	E288-E290 VanDerWaalsContact C-N 3.33Å; E288-E290 PolarHBondContact O-N 3.34Å; E288-R291 WeakPolarHBondContact O-CB 3.45Å; E288-R291 PolarHBondContact O-N 2.78Å; E288-R291 VanDerWaalsContact O-N 3.09Å; E288-E292 PolarHBondContact O-N 2.8Å
289	N	52.7	Low	55	Low	124 Å²	124	78.3 Å²	78.3	66%	0.663	40%	0.397	S	S	*	.	H	α-helix	trans	-58	-41	175.3	-58.6	26.3	0	0	0	112.8	T287 R291 E292 L293	T287-N289 VanDerWaalsContact C-N 3.34Å; T287-N289 PolarHBondContact O-N 3.19Å; N289-R291 VanDerWaalsContact C-N 3.32Å; N289-E292 PolarHBondContact O-N 2.99Å; N289-L293 PolarHBondContact O-N 3.09Å; N289-L293 VanDerWaalsContact O-N 3.09Å
290	E	55.9	Low	56.9	Low	65 Å²	65	74.5 Å²	74.5	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-68.6	-32	177.7	-72.9	163	135.8	0	0	112.1	F286 T287 E288 F294	F286-E290 HydrophobicContact CB-CB 4.39Å; F286-E290 HydrophobicContact CD1-CB 4.32Å; T287-E290 VanDerWaalsContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CB-OE2 3.28Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.07Å; T287-E290 PolarHBondContact N-OE2 3Å; T287-E290 PolarHBondContact O-N 3.45Å; T287-E290 VanDerWaalsContact OG1-CD 3.24Å; T287-E290 VanDerWaalsContact OG1-CG 3.3Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 3.06Å; T287-E290 PolarHBondContact OG1-OE2 3.4Å; E288-E290 VanDerWaalsContact C-N 3.33Å; E288-E290 PolarHBondContact O-N 3.34Å; E290-F294 WeakPolarHBondContact O-CD2 3.33Å
291	R	53.9	Low	58.6	Low	65 Å²	65	71.8 Å²	71.8	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-48.8	172.8	-62	178.9	-155.1	144.1	9.5	110.6	W267 V283 F286 T287 E288 N289 L293 F294 H295	W267-R291 HydrophobicContact CH2-CB 3.97Å; W267-R291 HydrophobicContact CH2-CG 3.68Å; W267-R291 HydrophobicContact CZ2-CG 4.26Å; W267-R291 HydrophobicContact CZ3-CB 4.29Å; W267-R291 HydrophobicContact CZ3-CG 4.2Å; V283-R291 PolarHBondContact O-NE 2.91Å; V283-R291 PolarHBondContact O-NH2 2.85Å; F286-R291 HydrophobicContact CB-CG 4.02Å; F286-R291 PolarHBondContact O-NE 2.85Å; F286-R291 PolarHBondContact O-NH2 3.29Å; T287-R291 WeakPolarHBondContact O-CG 3.48Å; T287-R291 PolarHBondContact O-N 3.16Å; E288-R291 WeakPolarHBondContact O-CB 3.45Å; E288-R291 PolarHBondContact O-N 2.78Å; E288-R291 VanDerWaalsContact O-N 3.09Å; N289-R291 VanDerWaalsContact C-N 3.32Å; R291-L293 VanDerWaalsContact C-N 3.25Å; R291-L293 PolarHBondContact O-N 2.87Å; R291-F294 PolarHBondContact O-N 3.38Å; R291-F294 VanDerWaalsContact O-N 3.09Å; R291-H295 PolarHBondContact O-CD2 3.31Å; R291-H295 VanDerWaalsContact O-CD2 3.3Å
292	E	52.2	Low	60.3	Low	135 Å²	135	64.9 Å²	64.9	63%	0.631	34%	0.338	S	S	*	.	H	α-helix	trans	-54.9	-40.4	178.3	-72.5	-164	146.2	0	0	112	E288 N289 F294 H295	E288-E292 PolarHBondContact O-N 2.8Å; N289-E292 PolarHBondContact O-N 2.99Å; E292-F294 PolarHBondContact O-N 3.07Å; E292-F294 VanDerWaalsContact O-N 3.16Å; E292-H295 VanDerWaalsContact O-CB 3.25Å; E292-H295 WeakPolarHBondContact O-CB 3.36Å; E292-H295 PolarHBondContact O-N 2.91Å
293	L	51.3	Low	62.3	Low	48 Å²	48	60.7 Å²	60.7	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-27	179.7	-165.1	137.7	0	0	0	113.9	N289 R291 H295 R312 P314	N289-L293 PolarHBondContact O-N 3.09Å; N289-L293 VanDerWaalsContact O-N 3.09Å; R291-L293 VanDerWaalsContact C-N 3.25Å; R291-L293 PolarHBondContact O-N 2.87Å; L293-H295 VanDerWaalsContact C-N 3.33Å; L293-R312 HydrophobicContact CD1-CB 4.16Å; L293-R312 HydrophobicContact CD1-CG 4Å; L293-R312 HydrophobicContact CD2-CG 4.09Å; L293-P314 HydrophobicContact CD2-CB 4.14Å; L293-P314 WeakPolarHBondContact O-CG 3.31Å
294	F	51.9	Low	64	Low	48 Å²	48	60.9 Å²	60.9	21%	0.211	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	173.2	-80.1	-76.6	0	0	0	114.4	E290 R291 E292 E296 L297	E290-F294 WeakPolarHBondContact O-CD2 3.33Å; R291-F294 PolarHBondContact O-N 3.38Å; R291-F294 VanDerWaalsContact O-N 3.09Å; E292-F294 PolarHBondContact O-N 3.07Å; E292-F294 VanDerWaalsContact O-N 3.16Å; F294-E296 VanDerWaalsContact C-N 3.31Å; F294-L297 HydrophobicContact CD1-CD1 4.26Å; F294-L297 HydrophobicContact CD1-CD2 4.24Å; F294-L297 HydrophobicContact CD1-CG 4.39Å
295	H	53	Low	65.6	Low	74 Å²	74	57 Å²	57	34%	0.343	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.9	169	-75.5	-107.4	0	0	0	112.3	R250 G273 R291 E292 L293	R250-H295 PolarHBondContact NE-O 3.27Å; R250-H295 PolarHBondContact NH2-O 2.95Å; G273-H295 PolarHBondContact O-CE1 2.68Å; R291-H295 PolarHBondContact O-CD2 3.31Å; R291-H295 VanDerWaalsContact O-CD2 3.3Å; E292-H295 VanDerWaalsContact O-CB 3.25Å; E292-H295 WeakPolarHBondContact O-CB 3.36Å; E292-H295 PolarHBondContact O-N 2.91Å; L293-H295 VanDerWaalsContact C-N 3.33Å
296	E	65.8	Low	67.3	Low	112 Å²	112	54.7 Å²	54.7	52%	0.523	28%	0.28	S	S	.	.	S	Bend	trans	-99.2	8.8	-163.5	-55.7	-168.3	151.3	0	0	115.3	F294 L298 P314	F294-E296 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.04Å; E296-P314 HydrophobicContact CB-CG 4.08Å
297	L	79.7	Confident	69.1	Low	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.			trans	-40.3	120.1	-176.9	-76.3	162.1	0	0	0	114	L251 I271 F294 P314 S323	L251-L297 WeakPolarHBondContact CB-O 3.34Å; L251-L297 PolarHBondContact N-O 2.89Å; I271-L297 WeakPolarHBondContact O-CD1 3.4Å; F294-L297 HydrophobicContact CD1-CD1 4.26Å; F294-L297 HydrophobicContact CD1-CD2 4.24Å; F294-L297 HydrophobicContact CD1-CG 4.39Å; L297-P314 HydrophobicContact CD2-CB 3.86Å; L297-P314 HydrophobicContact CG-CB 4.3Å; L297-S323 WeakPolarHBondContact CD1-OG 3.44Å
298	L	82.8	Confident	70.9	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.052	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-86.2	155.4	179.7	-59.6	172.3	0	0	0	112.3	E296 G300 L313 P314 F316	E296-L298 PolarHBondContact O-N 3.04Å; L298-G300 PolarHBondContact O-N 3.47Å; L298-L313 HydrophobicContact CD1-CD2 4.32Å; L298-P314 WeakPolarHBondContact CB-O 3.35Å; L298-P314 WeakPolarHBondContact CG-O 3.43Å; L298-P314 PolarHBondContact N-O 3.43Å; L298-F316 PolarHBondContact O-N 3.05Å; L298-F316 VanDerWaalsContact O-N 3.08Å
299	D	79.5	Confident	72.7	Confident	17 Å²	17	55.3 Å²	55.3	9%	0.091	27%	0.273	C	S	.	.			trans	-77.8	-1.3	170.6	84.7	-7.9	0	0	0	114.3	K110 Y123 I238 G249 L251 T301	K110-D299 IonicContact NZ-OD2 3.93Å; Y123-D299 WeakPolarHBondContact CE1-OD2 3.23Å; Y123-D299 PolarHBondContact OH-OD2 2.94Å; I238-D299 HydrophobicContact CG2-CB 3.91Å; G249-D299 PolarHBondContact O-N 2.87Å; L251-D299 HydrophobicContact CD1-CB 4.44Å; D299-T301 PolarHBondContact O-N 2.86Å; D299-T301 WeakPolarHBondContact OD1-CA 3.32Å; D299-T301 WeakPolarHBondContact OD1-CB 3.47Å; D299-T301 PolarHBondContact OD1-N 3.06Å; D299-T301 PolarHBondContact OD1-OG1 2.88Å; D299-T301 PolarHBondContact OD2-OG1 2.8Å; D299-T301 VanDerWaalsContact OD2-OG1 3.04Å
300	G	80.1	Confident	74.5	Confident	38 Å²	38	54.9 Å²	54.9	39%	0.392	28%	0.275	S	S	.	.	S	Bend	trans	73.6	0.4	-179.5	0	0	0	0	0	115.3	L298	L298-G300 PolarHBondContact O-N 3.47Å
301	T	79	Confident	75.9	Confident	50 Å²	50	53.3 Å²	53.3	31%	0.307	27%	0.271	S	S	.	.	S	Bend	trans	-99.6	-17.1	179.1	74.8	0	0	0	0	113.6	W65 K110 D299	W65-T301 PolarHBondContact NE1-OG1 2.83Å; K110-T301 PolarHBondContact NZ-OG1 2.78Å; D299-T301 PolarHBondContact O-N 2.86Å; D299-T301 WeakPolarHBondContact OD1-CA 3.32Å; D299-T301 WeakPolarHBondContact OD1-CB 3.47Å; D299-T301 PolarHBondContact OD1-N 3.06Å; D299-T301 PolarHBondContact OD1-OG1 2.88Å; D299-T301 PolarHBondContact OD2-OG1 2.8Å; D299-T301 VanDerWaalsContact OD2-OG1 3.04Å
302	V	81.5	Confident	77.6	Confident	17 Å²	17	53.9 Å²	53.9	10%	0.103	27%	0.273	C	S	.	.			trans	-146.1	135.4	175.2	-170.8	0	0	0	0	109.9	L55 W65 R248	L55-V302 HydrophobicContact CD1-CG2 4.45Å; W65-V302 HydrophobicContact CG-CG2 4.3Å; R248-V302 HydrophobicContact CG-CG1 3.83Å
303	N	83.6	Confident	79.3	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.043	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-103.4	158.2	175.9	-41.5	-69.6	0	0	0	110.9	R248 I432 G437	R248-N303 PolarHBondContact NH2-O 2.76Å; N303-I432 HydrophobicContact CB-CD1 4.32Å; N303-I432 WeakPolarHBondContact ND2-CD1 3.25Å; N303-G437 WeakPolarHBondContact CB-O 3.1Å; N303-G437 PolarHBondContact ND2-O 3.4Å
304	P	80.5	Confident	81	Confident	25 Å²	25	45.9 Å²	45.9	16%	0.162	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.2	150.8	169	26.8	-33.3	0	0	0	111.5	L307 L313 G437	P304-L307 HydrophobicContact CG-CD2 4.03Å; P304-L307 WeakPolarHBondContact O-CD2 3.43Å; P304-L313 HydrophobicContact CG-CD2 4.03Å; P304-G437 WeakPolarHBondContact O-CA 3.22Å
305	P	82.6	Confident	82.7	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.032	23%	0.233	C	C	.	.	S	Bend	trans	-78.3	166.4	172.5	35.6	-36.9	0	0	0	111.8	I53 Y245 V435	I53-P305 HydrophobicContact CD1-CB 4.12Å; I53-P305 HydrophobicContact CD1-CG 3.88Å; I53-P305 HydrophobicContact CG2-CG 4.32Å; Y245-P305 HydrophobicContact CD2-CG 3.75Å; Y245-P305 HydrophobicContact CE2-CG 4.08Å; P305-V435 VanDerWaalsContact CB-O 3.32Å; P305-V435 WeakPolarHBondContact CB-O 3.47Å
306	F	86.3	Confident	84.4	Confident	57 Å²	57	41.9 Å²	41.9	25%	0.25	22%	0.218	C	C	.	.	S	Bend	trans	61.6	50	176.7	-40.2	-60.3	0	0	0	114.1	R34 V37 L38 Y245 P434 V435	R34-F306 HydrophobicContact CB-CE1 4.13Å; R34-F306 HydrophobicContact CB-CZ 4.34Å; R34-F306 HydrophobicContact CG-CD1 4.32Å; R34-F306 HydrophobicContact CG-CE1 3.72Å; R34-F306 HydrophobicContact CG-CE2 4.06Å; R34-F306 HydrophobicContact CG-CZ 3.58Å; V37-F306 HydrophobicContact CB-CE1 4.44Å; V37-F306 HydrophobicContact CB-CZ 4.32Å; V37-F306 HydrophobicContact CG1-CE1 4.39Å; V37-F306 HydrophobicContact CG1-CZ 4.19Å; L38-F306 HydrophobicContact CD1-CE2 4.22Å; L38-F306 HydrophobicContact CD1-CZ 4.28Å; L38-F306 HydrophobicContact CD2-CE2 4.36Å; L38-F306 HydrophobicContact CG-CE2 4.17Å; L38-F306 HydrophobicContact CG-CZ 4.11Å; Y245-F306 HydrophobicContact CE2-CD2 4.1Å; Y245-F306 AromaticContact CE2-CE2 3.88Å; Y245-F306 HydrophobicContact CE2-CE2 3.88Å; F306-P434 CarbonylContact C-O 3.6Å; F306-P434 VanDerWaalsContact CA-O 3.24Å; F306-P434 WeakPolarHBondContact CA-O 3.32Å; F306-P434 PolarHBondContact N-O 3.43Å; F306-V435 HydrophobicContact CD1-CG1 3.98Å; F306-V435 VanDerWaalsContact CD1-O 3.26Å; F306-V435 WeakPolarHBondContact CD1-O 3.43Å; F306-V435 HydrophobicContact CE1-CG1 3.76Å; F306-V435 WeakPolarHBondContact CE1-O 3.41Å; F306-V435 PolarHBondContact N-O 2.8Å
307	L	88.8	Confident	85.6	Confident	13 Å²	13	37.1 Å²	37.1	7%	0.068	20%	0.197	C	C	.	.			trans	-67.1	143.6	176.1	-57.2	-179.1	0	0	0	112.2	P304 L313 Y340 F342 I432 P434	P304-L307 HydrophobicContact CG-CD2 4.03Å; P304-L307 WeakPolarHBondContact O-CD2 3.43Å; L307-L313 HydrophobicContact CD1-CD1 4.39Å; L307-L313 HydrophobicContact CD2-CD2 3.96Å; L307-Y340 HydrophobicContact CB-CD2 4.47Å; L307-Y340 WeakPolarHBondContact O-CE2 3.24Å; L307-F342 HydrophobicContact CB-CZ 4.47Å; L307-F342 HydrophobicContact CD1-CE2 3.85Å; L307-F342 HydrophobicContact CD1-CZ 3.9Å; L307-I432 HydrophobicContact CD1-CB 4.1Å; L307-I432 HydrophobicContact CD1-CD1 4.3Å; L307-I432 HydrophobicContact CD1-CG2 3.58Å; L307-P434 HydrophobicContact CB-CB 4.16Å; L307-P434 PolarHBondContact N-O 2.77Å
308	E	91.4	Very high	86	Confident	123 Å²	123	38.5 Å²	38.5	58%	0.575	21%	0.206	S	C	*	.			trans	-112	164.4	174.6	-61.9	-171	167.5	0	0	110.7	T310 S311	E308-T310 VanDerWaalsContact CB-OG1 3.24Å; E308-T310 WeakPolarHBondContact CB-OG1 3.35Å; E308-T310 PolarHBondContact O-N 3.34Å; E308-T310 PolarHBondContact OE2-OG1 3.38Å; E308-S311 PolarHBondContact N-OG 3.2Å; E308-S311 VanDerWaalsContact O-CB 3.24Å; E308-S311 WeakPolarHBondContact O-CB 3.49Å; E308-S311 PolarHBondContact O-N 3.45Å; E308-S311 PolarHBondContact O-OG 2.86Å
309	R	93.5	Very high	86.2	Confident	128 Å²	128	40.1 Å²	40.1	48%	0.483	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	174.5	-60.9	-172.7	179.7	87.9	-0.5	113.6	Y328 D331 Y340	R309-Y328 HydrophobicContact CB-CD1 3.94Å; R309-Y328 HydrophobicContact CB-CD2 4.17Å; R309-Y328 HydrophobicContact CB-CE1 3.96Å; R309-Y328 HydrophobicContact CB-CE2 4.17Å; R309-Y328 HydrophobicContact CB-CG 4.07Å; R309-Y328 HydrophobicContact CG-CD1 4.48Å; R309-Y328 HydrophobicContact CG-CD2 4.04Å; R309-Y328 HydrophobicContact CG-CE1 4.17Å; R309-Y328 HydrophobicContact CG-CE2 3.68Å; R309-Y328 HydrophobicContact CG-CG 4.44Å; R309-Y328 WeakPolarHBondContact O-CB 2.94Å; R309-Y328 WeakPolarHBondContact O-CD1 3.11Å; R309-D331 IonicContact CZ-OD1 3.31Å; R309-D331 VanDerWaalsContact CZ-OD1 3.31Å; R309-D331 IonicContact CZ-OD2 3.35Å; R309-D331 IonicContact NE-OD1 2.79Å; R309-D331 PolarHBondContact NE-OD1 3.16Å; R309-D331 IonicContact NE-OD2 3.23Å; R309-D331 PolarHBondContact NE-OD2 3.4Å; R309-D331 IonicContact NH2-OD1 3.02Å; R309-D331 PolarHBondContact NH2-OD1 2.84Å; R309-D331 IonicContact NH2-OD2 2.71Å; R309-D331 PolarHBondContact NH2-OD2 2.56Å; R309-Y340 HydrophobicContact CG-CE1 4.26Å; R309-Y340 HydrophobicContact CG-CE2 3.98Å
310	T	92	Very high	86.8	Confident	115 Å²	115	40 Å²	40	71%	0.706	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.5	171.6	37.7	0	0	0	0	112.6	E308 R312	E308-T310 VanDerWaalsContact CB-OG1 3.24Å; E308-T310 WeakPolarHBondContact CB-OG1 3.35Å; E308-T310 PolarHBondContact O-N 3.34Å; E308-T310 PolarHBondContact OE2-OG1 3.38Å; T310-R312 PolarHBondContact O-N 3.05Å
311	S	85.3	Confident	87.3	Confident	31 Å²	31	38.4 Å²	38.4	22%	0.217	20%	0.196	C	C	.	.			trans	-67.1	130.2	-179.1	-63	0	0	0	0	111.4	E308 F342	E308-S311 PolarHBondContact N-OG 3.2Å; E308-S311 VanDerWaalsContact O-CB 3.24Å; E308-S311 WeakPolarHBondContact O-CB 3.49Å; E308-S311 PolarHBondContact O-N 3.45Å; E308-S311 PolarHBondContact O-OG 2.86Å; S311-F342 WeakPolarHBondContact O-CE1 3.44Å
312	R	88.3	Confident	87.8	Confident	78 Å²	78	36.7 Å²	36.7	29%	0.294	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.9	166.6	165.5	174	-76.7	-166.7	-6.3	106.7	L293 T310 P314 H325 D327 E347	L293-R312 HydrophobicContact CD1-CB 4.16Å; L293-R312 HydrophobicContact CD1-CG 4Å; L293-R312 HydrophobicContact CD2-CG 4.09Å; T310-R312 PolarHBondContact O-N 3.05Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å; R312-H325 HydrophobicContact CG-CB 3.71Å; R312-H325 PolarHBondContact NE-ND1 3.11Å; R312-H325 VanDerWaalsContact NE-ND1 3.18Å; R312-H325 PolarHBondContact NH2-CE1 3.13Å; R312-D327 VanDerWaalsContact CG-OD1 3.3Å; R312-D327 WeakPolarHBondContact CG-OD1 3.22Å; R312-D327 IonicContact CZ-OD1 2.78Å; R312-D327 IonicContact CZ-OD2 3.98Å; R312-D327 IonicContact NE-OD1 2.72Å; R312-D327 PolarHBondContact NE-OD1 3.07Å; R312-D327 IonicContact NE-OD2 3.51Å; R312-D327 PolarHBondContact NE-OD2 2.73Å; R312-D327 IonicContact NH2-OD1 3.8Å; R312-D327 IonicContact NH2-OD2 2.8Å; R312-D327 PolarHBondContact NH2-OD2 3.11Å; R312-E347 IonicContact CZ-OE1 3.49Å; R312-E347 IonicContact NH1-OE1 3.66Å; R312-E347 IonicContact NH2-OE1 2.8Å; R312-E347 PolarHBondContact NH2-OE1 3.02Å
313	L	87.8	Confident	88.1	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.3	-174.4	-65.4	175.1	0	0	0	109.9	L298 P304 L307 H325 V326 F342 M430 I432	L298-L313 HydrophobicContact CD1-CD2 4.32Å; P304-L313 HydrophobicContact CG-CD2 4.03Å; L307-L313 HydrophobicContact CD1-CD1 4.39Å; L307-L313 HydrophobicContact CD2-CD2 3.96Å; L313-H325 VanDerWaalsContact O-CA 3.32Å; L313-H325 WeakPolarHBondContact O-CA 3.18Å; L313-V326 HydrophobicContact CB-CG2 3.86Å; L313-V326 PolarHBondContact N-O 2.83Å; L313-V326 PolarHBondContact O-N 2.64Å; L313-F342 HydrophobicContact CD1-CD1 3.97Å; L313-F342 HydrophobicContact CD1-CD2 4.44Å; L313-F342 HydrophobicContact CD1-CE1 3.86Å; L313-F342 HydrophobicContact CD1-CE2 4.33Å; L313-F342 HydrophobicContact CD1-CG 4.28Å; L313-F342 HydrophobicContact CD1-CZ 4.06Å; L313-F342 HydrophobicContact CG-CD1 4.31Å; L313-F342 HydrophobicContact CG-CE1 4.05Å; L313-M430 HydrophobicContact CD1-CE 3.79Å; L313-I432 HydrophobicContact CD1-CD1 3.89Å
314	P	87.4	Confident	88.4	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.8	175	32.6	-35.6	0	0	0	109.7	L293 E296 L297 L298 R312	L293-P314 HydrophobicContact CD2-CB 4.14Å; L293-P314 WeakPolarHBondContact O-CG 3.31Å; E296-P314 HydrophobicContact CB-CG 4.08Å; L297-P314 HydrophobicContact CD2-CB 3.86Å; L297-P314 HydrophobicContact CG-CB 4.3Å; L298-P314 WeakPolarHBondContact CB-O 3.35Å; L298-P314 WeakPolarHBondContact CG-O 3.43Å; L298-P314 PolarHBondContact N-O 3.43Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å
315	L	88.4	Confident	88.8	Confident	33 Å²	33	35.8 Å²	35.8	17%	0.173	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.9	178.5	69.2	92.5	0	0	0	112.5	L324 V326	L315-L324 HydrophobicContact CD1-CD1 3.78Å; L315-L324 HydrophobicContact CD1-CD2 4.2Å; L315-L324 HydrophobicContact CD1-CG 3.8Å; L315-L324 HydrophobicContact CD2-CD1 4.05Å; L315-L324 HydrophobicContact CG-CD1 3.79Å; L315-L324 HydrophobicContact CG-CG 4.11Å; L315-L324 PolarHBondContact N-O 3.29Å; L315-L324 PolarHBondContact O-N 3.07Å; L315-L324 VanDerWaalsContact O-O 3.06Å; L315-V326 HydrophobicContact CD2-CG1 3.94Å; L315-V326 HydrophobicContact CD2-CG2 3.76Å
316	F	89.2	Confident	89.3	Confident	6 Å²	6	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.3	170.4	179.2	-106.7	0	0	0	110.5	L251 Y254 V260 I271 L298 P318	L251-F316 HydrophobicContact CD2-CB 3.64Å; L251-F316 HydrophobicContact CD2-CD1 3.84Å; L251-F316 HydrophobicContact CD2-CG 3.97Å; Y254-F316 AromaticContact CD1-CE1 3.55Å; Y254-F316 HydrophobicContact CD1-CE1 3.55Å; Y254-F316 AromaticContact CD1-CZ 3.81Å; Y254-F316 HydrophobicContact CD1-CZ 3.81Å; Y254-F316 HydrophobicContact CD2-CE1 4.35Å; Y254-F316 AromaticContact CE1-CE1 3.72Å; Y254-F316 HydrophobicContact CE1-CE1 3.72Å; Y254-F316 AromaticContact CE1-CZ 3.91Å; Y254-F316 HydrophobicContact CE1-CZ 3.91Å; Y254-F316 AromaticContact CG-CE1 3.86Å; Y254-F316 HydrophobicContact CG-CE1 3.86Å; V260-F316 HydrophobicContact CG1-CE2 4.12Å; V260-F316 HydrophobicContact CG1-CZ 4.01Å; I271-F316 HydrophobicContact CB-CD2 4.44Å; I271-F316 HydrophobicContact CD1-CE2 4.16Å; I271-F316 HydrophobicContact CD1-CZ 4.09Å; I271-F316 HydrophobicContact CG1-CD2 4.05Å; I271-F316 HydrophobicContact CG1-CE2 3.78Å; I271-F316 HydrophobicContact CG1-CZ 4.22Å; I271-F316 HydrophobicContact CG2-CB 4.36Å; I271-F316 HydrophobicContact CG2-CD1 4.25Å; I271-F316 HydrophobicContact CG2-CD2 4.04Å; I271-F316 HydrophobicContact CG2-CE2 4.44Å; I271-F316 HydrophobicContact CG2-CG 3.94Å; L298-F316 PolarHBondContact O-N 3.05Å; L298-F316 VanDerWaalsContact O-N 3.08Å; F316-P318 HydrophobicContact CD1-CG 4.2Å; F316-P318 HydrophobicContact CE1-CB 4.34Å; F316-P318 HydrophobicContact CE1-CG 4.06Å; F316-P318 WeakPolarHBondContact O-CD 3.42Å
317	S	90.3	Very high	89.6	Confident	12 Å²	12	34.8 Å²	34.8	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	106.5	176.7	179	0	0	0	0	110.9	D319 L320 C321 R322	S317-D319 VanDerWaalsContact C-N 3.28Å; S317-D319 PolarHBondContact O-N 3.05Å; S317-L320 PolarHBondContact O-N 3.23Å; S317-L320 WeakPolarHBondContact OG-CG 3.49Å; S317-C321 WeakPolarHBondContact O-CA 3.45Å; S317-C321 PolarHBondContact O-N 2.94Å; S317-R322 PolarHBondContact N-O 3Å; S317-R322 PolarHBondContact O-N 3.47Å
318	P	88.6	Confident	89.9	Confident	28 Å²	28	37 Å²	37	18%	0.182	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.8	-179.1	-26.2	33.7	0	0	0	114.4	Y236 Y254 F316 C321	Y236-P318 HydrophobicContact CE1-CG 4.27Å; Y236-P318 WeakPolarHBondContact OH-CG 3.43Å; Y254-P318 HydrophobicContact CE2-CB 4.39Å; F316-P318 HydrophobicContact CD1-CG 4.2Å; F316-P318 HydrophobicContact CE1-CB 4.34Å; F316-P318 HydrophobicContact CE1-CG 4.06Å; F316-P318 WeakPolarHBondContact O-CD 3.42Å; P318-C321 PolarHBondContact O-N 3.36Å; P318-C321 PolarHBondContact O-SG 3.22Å
319	D	87.1	Confident	90.1	Very high	44 Å²	44	34.2 Å²	34.2	24%	0.235	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-28.5	-177.5	-58.1	-60.7	0	0	0	112.7	K228 S317 C321 R444	K228-D319 IonicContact NZ-OD1 3.61Å; K228-D319 PolarHBondContact NZ-OD1 2.87Å; S317-D319 VanDerWaalsContact C-N 3.28Å; S317-D319 PolarHBondContact O-N 3.05Å; D319-C321 VanDerWaalsContact C-N 3.29Å; D319-R444 IonicContact OD2-CZ 2.72Å; D319-R444 IonicContact OD2-NH1 3.8Å; D319-R444 PolarHBondContact OD2-NH1 2.82Å; D319-R444 IonicContact OD2-NH2 2.94Å; D319-R444 PolarHBondContact OD2-NH2 3.35Å
320	L	91.2	Very high	90.3	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.079	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.4	168.4	-61.2	173.2	0	0	0	111.9	S317 R322 L324 F349 L387 L400 L446	S317-L320 PolarHBondContact O-N 3.23Å; S317-L320 WeakPolarHBondContact OG-CG 3.49Å; L320-R322 HydrophobicContact CB-CG 4.11Å; L320-R322 PolarHBondContact O-N 3.35Å; L320-R322 VanDerWaalsContact O-N 3.16Å; L320-L324 HydrophobicContact CD1-CD2 3.38Å; L320-F349 HydrophobicContact CD1-CZ 4.42Å; L320-L387 HydrophobicContact CB-CD2 4.1Å; L320-L387 HydrophobicContact CD2-CD2 4.09Å; L320-L400 HydrophobicContact CD2-CB 4.28Å; L320-L400 HydrophobicContact CD2-CD1 3.71Å; L320-L446 HydrophobicContact CD2-CD1 3.93Å
321	C	90.2	Very high	90.5	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	24.9	-173.9	-47.8	0	0	0	0	114.5	W263 S317 P318 D319 C392	W263-C321 PolarHBondContact NE1-O 2.84Å; S317-C321 WeakPolarHBondContact O-CA 3.45Å; S317-C321 PolarHBondContact O-N 2.94Å; P318-C321 PolarHBondContact O-N 3.36Å; P318-C321 PolarHBondContact O-SG 3.22Å; D319-C321 VanDerWaalsContact C-N 3.29Å; C321-C392 HydrophobicContact CB-CB 3.63Å; C321-C392 WeakPolarHBondContact CB-SG 3.47Å; C321-C392 WeakPolarHBondContact SG-CB 3.37Å; C321-C392 CovalentContact SG-SG 2.02Å; C321-C392 PolarHBondContact SG-SG 3.19Å
322	R	90.1	Very high	91.1	Very high	14 Å²	14	30.2 Å²	30.2	5%	0.053	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161	176.5	66.8	171.6	-77.8	-168.3	0.6	112.2	W263 S317 L320 V348 N356 F359 L387	W263-R322 HydrophobicContact CZ2-CB 4.15Å; S317-R322 PolarHBondContact N-O 3Å; S317-R322 PolarHBondContact O-N 3.47Å; L320-R322 HydrophobicContact CB-CG 4.11Å; L320-R322 PolarHBondContact O-N 3.35Å; L320-R322 VanDerWaalsContact O-N 3.16Å; R322-V348 PolarHBondContact NH1-O 3.23Å; R322-V348 PolarHBondContact NH2-O 3.33Å; R322-N356 PolarHBondContact NH2-OD1 3.36Å; R322-F359 HydrophobicContact CB-CD1 4.01Å; R322-F359 HydrophobicContact CB-CE1 3.48Å; R322-F359 VanDerWaalsContact CB-CE1 3.48Å; R322-F359 HydrophobicContact CB-CZ 4.3Å; R322-F359 HydrophobicContact CG-CD1 4.48Å; R322-F359 HydrophobicContact CG-CE1 4.2Å; R322-L387 HydrophobicContact CG-CD2 4.19Å
323	S	88	Confident	91.4	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	146.4	163.3	-62.3	0	0	0	0	110.9	M270 L297	M270-S323 PolarHBondContact O-OG 3.29Å; L297-S323 WeakPolarHBondContact CD1-OG 3.44Å
324	L	89.5	Confident	91.6	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	179	174.3	66	96.2	0	0	0	109.7	L315 L320 V326 V344 V348	L315-L324 HydrophobicContact CD1-CD1 3.78Å; L315-L324 HydrophobicContact CD1-CD2 4.2Å; L315-L324 HydrophobicContact CD1-CG 3.8Å; L315-L324 HydrophobicContact CD2-CD1 4.05Å; L315-L324 HydrophobicContact CG-CD1 3.79Å; L315-L324 HydrophobicContact CG-CG 4.11Å; L315-L324 PolarHBondContact N-O 3.29Å; L315-L324 PolarHBondContact O-N 3.07Å; L315-L324 VanDerWaalsContact O-O 3.06Å; L320-L324 HydrophobicContact CD1-CD2 3.38Å; L324-V326 HydrophobicContact CD1-CG1 4.05Å; L324-V344 HydrophobicContact CD1-CG1 4.36Å; L324-V344 HydrophobicContact CD1-CG2 4.18Å; L324-V348 HydrophobicContact CB-CG1 3.77Å
325	H	89.4	Confident	91.5	Very high	19 Å²	19	34 Å²	34	9%	0.088	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.6	170.9	61.1	87.5	0	0	0	111.3	R312 L313 D327 P345 E347	R312-H325 HydrophobicContact CG-CB 3.71Å; R312-H325 PolarHBondContact NE-ND1 3.11Å; R312-H325 VanDerWaalsContact NE-ND1 3.18Å; R312-H325 PolarHBondContact NH2-CE1 3.13Å; L313-H325 VanDerWaalsContact O-CA 3.32Å; L313-H325 WeakPolarHBondContact O-CA 3.18Å; H325-D327 IonicContact CE1-OD1 2.77Å; H325-D327 IonicContact CG-OD1 2.64Å; H325-D327 IonicContact ND1-OD1 2.73Å; H325-D327 PolarHBondContact ND1-OD1 2.99Å; H325-D327 IonicContact ND1-OD2 3.59Å; H325-P345 VanDerWaalsContact CE1-CG 3.48Å; H325-P345 WeakPolarHBondContact CE1-CG 3.25Å; H325-E347 IonicContact CE1-OE1 3.42Å
326	V	91.9	Very high	91.4	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.1	172.6	-69.6	0	0	0	0	109.8	L313 L315 L324 F342 T343 V344 M430	L313-V326 HydrophobicContact CB-CG2 3.86Å; L313-V326 PolarHBondContact N-O 2.83Å; L313-V326 PolarHBondContact O-N 2.64Å; L315-V326 HydrophobicContact CD2-CG1 3.94Å; L315-V326 HydrophobicContact CD2-CG2 3.76Å; L324-V326 HydrophobicContact CD1-CG1 4.05Å; V326-F342 HydrophobicContact CB-CB 4.33Å; V326-F342 HydrophobicContact CG2-CB 4.3Å; V326-T343 CarbonylContact C-O 3.44Å; V326-T343 WeakPolarHBondContact CA-O 3.39Å; V326-T343 WeakPolarHBondContact CB-O 3.41Å; V326-V344 HydrophobicContact CG1-CB 4.3Å; V326-V344 HydrophobicContact CG1-CG2 3.56Å; V326-M430 HydrophobicContact CB-CE 4.33Å; V326-M430 HydrophobicContact CG2-CE 3.28Å
327	D	93.2	Very high	91.4	Very high	32 Å²	32	35.4 Å²	35.4	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.5	-167.9	-67	10.9	0	0	0	109.8	R312 H325 S329 F342 T343 P345	R312-D327 VanDerWaalsContact CG-OD1 3.3Å; R312-D327 WeakPolarHBondContact CG-OD1 3.22Å; R312-D327 IonicContact CZ-OD1 2.78Å; R312-D327 IonicContact CZ-OD2 3.98Å; R312-D327 IonicContact NE-OD1 2.72Å; R312-D327 PolarHBondContact NE-OD1 3.07Å; R312-D327 IonicContact NE-OD2 3.51Å; R312-D327 PolarHBondContact NE-OD2 2.73Å; R312-D327 IonicContact NH2-OD1 3.8Å; R312-D327 IonicContact NH2-OD2 2.8Å; R312-D327 PolarHBondContact NH2-OD2 3.11Å; H325-D327 IonicContact CE1-OD1 2.77Å; H325-D327 IonicContact CG-OD1 2.64Å; H325-D327 IonicContact ND1-OD1 2.73Å; H325-D327 PolarHBondContact ND1-OD1 2.99Å; H325-D327 IonicContact ND1-OD2 3.59Å; D327-S329 PolarHBondContact O-N 3.22Å; D327-F342 CarbonylContact O-C 3.59Å; D327-F342 VanDerWaalsContact O-CA 3.26Å; D327-F342 WeakPolarHBondContact O-CA 3.49Å; D327-T343 PolarHBondContact N-O 2.75Å; D327-T343 PolarHBondContact O-N 3.47Å; D327-P345 HydrophobicContact CB-CG 4.46Å
328	Y	96	Very high	91.4	Very high	60 Å²	60	39.8 Å²	39.8	24%	0.235	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	136.1	170.5	166.1	-87.2	0	0	0	110.9	R309 D331 Y340	R309-Y328 HydrophobicContact CB-CD1 3.94Å; R309-Y328 HydrophobicContact CB-CD2 4.17Å; R309-Y328 HydrophobicContact CB-CE1 3.96Å; R309-Y328 HydrophobicContact CB-CE2 4.17Å; R309-Y328 HydrophobicContact CB-CG 4.07Å; R309-Y328 HydrophobicContact CG-CD1 4.48Å; R309-Y328 HydrophobicContact CG-CD2 4.04Å; R309-Y328 HydrophobicContact CG-CE1 4.17Å; R309-Y328 HydrophobicContact CG-CE2 3.68Å; R309-Y328 HydrophobicContact CG-CG 4.44Å; R309-Y328 WeakPolarHBondContact O-CB 2.94Å; R309-Y328 WeakPolarHBondContact O-CD1 3.11Å; Y328-D331 PolarHBondContact OH-N 3.09Å; Y328-D331 VanDerWaalsContact OH-N 3.15Å; Y328-D331 PolarHBondContact OH-OD1 3.37Å; Y328-Y340 HydrophobicContact CD2-CD1 4.5Å; Y328-Y340 HydrophobicContact CD2-CD2 4.23Å; Y328-Y340 AromaticContact CD2-CG 3.99Å; Y328-Y340 HydrophobicContact CD2-CG 3.99Å; Y328-Y340 HydrophobicContact CE2-CD1 4.09Å; Y328-Y340 HydrophobicContact CE2-CG 4.05Å
329	S	95.4	Very high	91.7	Very high	65 Å²	65	38.6 Å²	38.6	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-49.6	179.6	-178.1	0	0	0	0	112.5	D327 R341	D327-S329 PolarHBondContact O-N 3.22Å; S329-R341 PolarHBondContact N-O 3.42Å
330	E	96.7	Very high	92.2	Very high	84 Å²	84	38.2 Å²	38.2	39%	0.393	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	150.4	-173.8	47.9	175.8	-163.3	0	0	112.1	V332 R341	E330-V332 HydrophobicContact CB-CG1 4.41Å; E330-V332 HydrophobicContact CG-CG1 3.73Å; E330-R341 HydrophobicContact CG-CB 3.85Å; E330-R341 HydrophobicContact CG-CG 4.34Å; E330-R341 PolarHBondContact O-N 3.38Å; E330-R341 WeakPolarHBondContact OE1-CD 3.11Å; E330-R341 IonicContact OE1-CZ 3.85Å; E330-R341 IonicContact OE1-NE 3.14Å; E330-R341 IonicContact OE1-NH1 3.93Å; E330-R341 PolarHBondContact OE1-NH1 3.22Å
331	D	97.3	Very high	92.5	Very high	85 Å²	85	39.7 Å²	39.7	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.3	163.5	-68.7	-26.7	0	0	0	108.8	R309 Y328 Y340	R309-D331 IonicContact CZ-OD1 3.31Å; R309-D331 VanDerWaalsContact CZ-OD1 3.31Å; R309-D331 IonicContact CZ-OD2 3.35Å; R309-D331 IonicContact NE-OD1 2.79Å; R309-D331 PolarHBondContact NE-OD1 3.16Å; R309-D331 IonicContact NE-OD2 3.23Å; R309-D331 PolarHBondContact NE-OD2 3.4Å; R309-D331 IonicContact NH2-OD1 3.02Å; R309-D331 PolarHBondContact NH2-OD1 2.84Å; R309-D331 IonicContact NH2-OD2 2.71Å; R309-D331 PolarHBondContact NH2-OD2 2.56Å; Y328-D331 PolarHBondContact OH-N 3.09Å; Y328-D331 VanDerWaalsContact OH-N 3.15Å; Y328-D331 PolarHBondContact OH-OD1 3.37Å; D331-Y340 VanDerWaalsContact OD1-CD1 3.31Å; D331-Y340 WeakPolarHBondContact OD1-CD1 3.48Å; D331-Y340 WeakPolarHBondContact OD1-CE1 3.16Å
332	V	97.1	Very high	92.8	Very high	20 Å²	20	39.5 Å²	39.5	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.1	-177.1	-61.8	0	0	0	0	112.2	E330 A339 R341 D431	E330-V332 HydrophobicContact CB-CG1 4.41Å; E330-V332 HydrophobicContact CG-CG1 3.73Å; V332-A339 HydrophobicContact CG2-CB 4.16Å; V332-A339 WeakPolarHBondContact CG2-O 3.2Å; V332-A339 PolarHBondContact N-O 2.98Å; V332-A339 PolarHBondContact O-N 3.09Å; V332-A339 VanDerWaalsContact O-O 3.09Å; V332-R341 HydrophobicContact CG1-CB 3.97Å; V332-R341 HydrophobicContact CG2-CB 4.09Å; V332-D431 HydrophobicContact CG2-CB 4.2Å
333	Q	94.5	Very high	93.1	Very high	124 Å²	124	40 Å²	40	58%	0.579	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.9	166.4	-90.8	-76.2	-26.4	0	0	108.6	F337 D338	Q333-F337 WeakPolarHBondContact CA-O 3.48Å; Q333-F337 PolarHBondContact OE1-O 3.2Å; Q333-D338 PolarHBondContact NE2-OD1 3.16Å
334	S	91.8	Very high	93.4	Very high	5 Å²	5	41 Å²	41	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.5	-174.4	-162.8	0	0	0	0	109.8	G336 F337 D431 I440	S334-G336 PolarHBondContact O-N 2.87Å; S334-F337 PolarHBondContact N-O 3.41Å; S334-F337 PolarHBondContact O-N 2.78Å; S334-D431 WeakPolarHBondContact CB-OD2 3.1Å; S334-D431 WeakPolarHBondContact OG-CB 3.21Å; S334-D431 PolarHBondContact OG-OD2 2.58Å; S334-I440 WeakPolarHBondContact O-CG2 3.37Å
335	G	85	Confident	93.5	Very high	42 Å²	42	41.9 Å²	41.9	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	8.5	-179.6	0	0	0	0	0	117.2
336	G	87	Confident	93.7	Very high	60 Å²	60	43.2 Å²	43.2	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	14	-171.7	0	0	0	0	0	115.2	S334	S334-G336 PolarHBondContact O-N 2.87Å
337	F	88.9	Confident	93.7	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.044	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.6	-177.7	-53.7	-81.8	0	0	0	111.3	Q333 S334 A339 I440 K485 L488 W489 F493	Q333-F337 WeakPolarHBondContact CA-O 3.48Å; Q333-F337 PolarHBondContact OE1-O 3.2Å; S334-F337 PolarHBondContact N-O 3.41Å; S334-F337 PolarHBondContact O-N 2.78Å; F337-A339 PolarHBondContact O-N 2.88Å; F337-I440 HydrophobicContact CD2-CD1 4.32Å; F337-I440 HydrophobicContact CD2-CG2 4.15Å; F337-K485 HydrophobicContact CE2-CB 4.16Å; F337-K485 HydrophobicContact CE2-CD 4.43Å; F337-K485 HydrophobicContact CE2-CG 3.96Å; F337-K485 HydrophobicContact CZ-CB 4.27Å; F337-K485 WeakPolarHBondContact CZ-O 3.29Å; F337-L488 HydrophobicContact CD1-CD2 4.14Å; F337-L488 HydrophobicContact CD2-CD2 4.33Å; F337-L488 HydrophobicContact CE1-CD2 3.96Å; F337-L488 HydrophobicContact CE1-CG 4.21Å; F337-L488 HydrophobicContact CE2-CD2 4.21Å; F337-L488 HydrophobicContact CG-CD2 4.3Å; F337-L488 HydrophobicContact CZ-CD2 4.02Å; F337-L488 HydrophobicContact CZ-CG 4.47Å; F337-W489 HydrophobicContact CE1-CB 3.93Å; F337-W489 AromaticContact CE1-CD1 3.86Å; F337-W489 HydrophobicContact CE1-CG 4.33Å; F337-W489 HydrophobicContact CZ-CB 4.2Å; F337-F493 HydrophobicContact CB-CE2 4.4Å; F337-F493 HydrophobicContact CB-CZ 4.04Å; F337-F493 HydrophobicContact CD1-CD1 4.4Å; F337-F493 AromaticContact CD1-CD2 3.55Å; F337-F493 HydrophobicContact CD1-CD2 3.55Å; F337-F493 HydrophobicContact CD1-CE1 4.22Å; F337-F493 AromaticContact CD1-CE2 3.33Å; F337-F493 HydrophobicContact CD1-CE2 3.33Å; F337-F493 HydrophobicContact CD1-CG 4.1Å; F337-F493 AromaticContact CD1-CZ 3.7Å; F337-F493 HydrophobicContact CD1-CZ 3.7Å; F337-F493 AromaticContact CE1-CD2 3.77Å; F337-F493 HydrophobicContact CE1-CD2 3.77Å; F337-F493 AromaticContact CE1-CE2 3.94Å; F337-F493 HydrophobicContact CE1-CE2 3.94Å; F337-F493 HydrophobicContact CE1-CG 4.39Å; F337-F493 HydrophobicContact CG-CE2 4.19Å; F337-F493 HydrophobicContact CG-CZ 4.3Å
338	D	91.5	Very high	93.6	Very high	103 Å²	103	44.3 Å²	44.3	55%	0.551	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.3	165	-62.5	-62.6	0	0	0	109.2	Q333	Q333-D338 PolarHBondContact NE2-OD1 3.16Å
339	A	94.9	Very high	93.4	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.5	-179.4	0	0	0	0	0	110.8	V332 F337 D431 I432	V332-A339 HydrophobicContact CG2-CB 4.16Å; V332-A339 WeakPolarHBondContact CG2-O 3.2Å; V332-A339 PolarHBondContact N-O 2.98Å; V332-A339 PolarHBondContact O-N 3.09Å; V332-A339 VanDerWaalsContact O-O 3.09Å; F337-A339 PolarHBondContact O-N 2.88Å; A339-D431 HydrophobicContact CB-CB 4.13Å; A339-I432 CarbonylContact C-O 3.54Å; A339-I432 WeakPolarHBondContact CA-O 3.45Å
340	Y	97	Very high	93.1	Very high	36 Å²	36	41.6 Å²	41.6	14%	0.141	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	170.8	-71.5	-6.2	0	0	0	109.1	L307 R309 Y328 D331 F342 I432 P434	L307-Y340 HydrophobicContact CB-CD2 4.47Å; L307-Y340 WeakPolarHBondContact O-CE2 3.24Å; R309-Y340 HydrophobicContact CG-CE1 4.26Å; R309-Y340 HydrophobicContact CG-CE2 3.98Å; Y328-Y340 HydrophobicContact CD2-CD1 4.5Å; Y328-Y340 HydrophobicContact CD2-CD2 4.23Å; Y328-Y340 AromaticContact CD2-CG 3.99Å; Y328-Y340 HydrophobicContact CD2-CG 3.99Å; Y328-Y340 HydrophobicContact CE2-CD1 4.09Å; Y328-Y340 HydrophobicContact CE2-CG 4.05Å; D331-Y340 VanDerWaalsContact OD1-CD1 3.31Å; D331-Y340 WeakPolarHBondContact OD1-CD1 3.48Å; D331-Y340 WeakPolarHBondContact OD1-CE1 3.16Å; Y340-F342 WeakPolarHBondContact O-CD2 3.39Å; Y340-I432 PolarHBondContact N-O 2.9Å; Y340-I432 PolarHBondContact O-N 2.91Å; Y340-P434 HydrophobicContact CD1-CG 4.39Å; Y340-P434 HydrophobicContact CD2-CB 3.74Å; Y340-P434 HydrophobicContact CD2-CG 4.39Å; Y340-P434 HydrophobicContact CE1-CB 4.48Å; Y340-P434 HydrophobicContact CE1-CG 4.2Å; Y340-P434 HydrophobicContact CE2-CB 3.61Å; Y340-P434 HydrophobicContact CE2-CG 4.19Å; Y340-P434 HydrophobicContact CG-CB 4.22Å; Y340-P434 HydrophobicContact CG-CG 4.48Å
341	R	97.3	Very high	92.4	Very high	47 Å²	47	40.5 Å²	40.5	18%	0.177	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.4	172.2	179	160.3	-69.7	145.3	3.5	110.1	S329 E330 V332 T343 W429 M430 D431	S329-R341 PolarHBondContact N-O 3.42Å; E330-R341 HydrophobicContact CG-CB 3.85Å; E330-R341 HydrophobicContact CG-CG 4.34Å; E330-R341 PolarHBondContact O-N 3.38Å; E330-R341 WeakPolarHBondContact OE1-CD 3.11Å; E330-R341 IonicContact OE1-CZ 3.85Å; E330-R341 IonicContact OE1-NE 3.14Å; E330-R341 IonicContact OE1-NH1 3.93Å; E330-R341 PolarHBondContact OE1-NH1 3.22Å; V332-R341 HydrophobicContact CG1-CB 3.97Å; V332-R341 HydrophobicContact CG2-CB 4.09Å; R341-T343 HydrophobicContact CG-CG2 4.16Å; R341-W429 HydrophobicContact CG-CB 4.16Å; R341-M430 WeakPolarHBondContact CA-O 3.29Å; R341-D431 IonicContact CZ-OD1 3.68Å; R341-D431 VanDerWaalsContact CZ-OD1 3.3Å; R341-D431 IonicContact CZ-OD2 3.66Å; R341-D431 IonicContact NE-OD1 3.38Å; R341-D431 PolarHBondContact NE-OD1 3.29Å; R341-D431 IonicContact NE-OD2 3.91Å; R341-D431 VanDerWaalsContact NH2-CG 3.31Å; R341-D431 IonicContact NH2-OD1 2.69Å; R341-D431 PolarHBondContact NH2-OD1 3.11Å; R341-D431 IonicContact NH2-OD2 2.72Å; R341-D431 PolarHBondContact NH2-OD2 2.91Å
342	F	96.1	Very high	91.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.7	169.4	-67.1	-97.5	0	0	0	110.2	L307 S311 L313 V326 D327 Y340 W429 M430 I432	L307-F342 HydrophobicContact CB-CZ 4.47Å; L307-F342 HydrophobicContact CD1-CE2 3.85Å; L307-F342 HydrophobicContact CD1-CZ 3.9Å; S311-F342 WeakPolarHBondContact O-CE1 3.44Å; L313-F342 HydrophobicContact CD1-CD1 3.97Å; L313-F342 HydrophobicContact CD1-CD2 4.44Å; L313-F342 HydrophobicContact CD1-CE1 3.86Å; L313-F342 HydrophobicContact CD1-CE2 4.33Å; L313-F342 HydrophobicContact CD1-CG 4.28Å; L313-F342 HydrophobicContact CD1-CZ 4.06Å; L313-F342 HydrophobicContact CG-CD1 4.31Å; L313-F342 HydrophobicContact CG-CE1 4.05Å; V326-F342 HydrophobicContact CB-CB 4.33Å; V326-F342 HydrophobicContact CG2-CB 4.3Å; D327-F342 CarbonylContact O-C 3.59Å; D327-F342 VanDerWaalsContact O-CA 3.26Å; D327-F342 WeakPolarHBondContact O-CA 3.49Å; Y340-F342 WeakPolarHBondContact O-CD2 3.39Å; F342-W429 CarbonylContact O-C 3.56Å; F342-W429 WeakPolarHBondContact O-CA 3.13Å; F342-W429 WeakPolarHBondContact O-CB 3.37Å; F342-M430 HydrophobicContact CB-CE 3.59Å; F342-M430 HydrophobicContact CB-CG 3.91Å; F342-M430 HydrophobicContact CD2-CE 4.36Å; F342-M430 HydrophobicContact CG-CE 3.97Å; F342-M430 PolarHBondContact N-O 3.4Å; F342-M430 PolarHBondContact O-N 2.97Å; F342-I432 HydrophobicContact CD2-CB 4.42Å; F342-I432 HydrophobicContact CD2-CD1 3.93Å; F342-I432 HydrophobicContact CD2-CG1 4.32Å; F342-I432 HydrophobicContact CE2-CB 4.29Å; F342-I432 HydrophobicContact CE2-CD1 4.18Å
343	T	96.3	Very high	91	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157	179.7	67.9	0	0	0	0	110.9	V326 D327 R341 P345 T427 W429	V326-T343 CarbonylContact C-O 3.44Å; V326-T343 WeakPolarHBondContact CA-O 3.39Å; V326-T343 WeakPolarHBondContact CB-O 3.41Å; D327-T343 PolarHBondContact N-O 2.75Å; D327-T343 PolarHBondContact O-N 3.47Å; R341-T343 HydrophobicContact CG-CG2 4.16Å; T343-P345 VanDerWaalsContact O-CD 3.29Å; T343-P345 WeakPolarHBondContact O-CD 3.35Å; T343-T427 HydrophobicContact CG2-CG2 4.25Å; T343-W429 HydrophobicContact CG2-CB 4.07Å
344	V	93.9	Very high	90.3	Very high	29 Å²	29	46 Å²	46	18%	0.176	25%	0.254	C	S	.	.			trans	-79.6	111.7	167.9	-174.8	0	0	0	0	107.9	L324 V326 V348 F349 T428	L324-V344 HydrophobicContact CD1-CG1 4.36Å; L324-V344 HydrophobicContact CD1-CG2 4.18Å; V326-V344 HydrophobicContact CG1-CB 4.3Å; V326-V344 HydrophobicContact CG1-CG2 3.56Å; V344-V348 HydrophobicContact CG1-CB 4.03Å; V344-V348 HydrophobicContact CG1-CG1 4.09Å; V344-V348 HydrophobicContact CG1-CG2 4.07Å; V344-F349 HydrophobicContact CG1-CE2 3.8Å; V344-T428 HydrophobicContact CG2-CG2 4Å
345	P	93.4	Very high	89.7	Confident	24 Å²	24	49 Å²	49	16%	0.156	27%	0.267	C	S	.	.			trans	-74.1	146.7	-177.9	32.8	-35.5	0	0	0	110.3	H325 D327 T343 E347 V348	H325-P345 VanDerWaalsContact CE1-CG 3.48Å; H325-P345 WeakPolarHBondContact CE1-CG 3.25Å; D327-P345 HydrophobicContact CB-CG 4.46Å; T343-P345 VanDerWaalsContact O-CD 3.29Å; T343-P345 WeakPolarHBondContact O-CD 3.35Å; P345-E347 HydrophobicContact CB-CG 4.05Å; P345-E347 HydrophobicContact CG-CG 3.97Å; P345-E347 PolarHBondContact O-N 2.92Å; P345-V348 HydrophobicContact CG-CG2 4.07Å; P345-V348 WeakPolarHBondContact O-CB 3.33Å; P345-V348 PolarHBondContact O-N 2.94Å; P345-V348 VanDerWaalsContact O-N 3.08Å
346	A	92.9	Very high	89.7	Confident	48 Å²	48	47.7 Å²	47.7	40%	0.397	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-58.9	-24.5	-172.2	0	0	0	0	0	114	V348 F349 D350 H407	A346-V348 PolarHBondContact O-N 3.09Å; A346-F349 PolarHBondContact O-N 3.13Å; A346-F349 VanDerWaalsContact O-N 3.09Å; A346-D350 PolarHBondContact O-N 3.01Å; A346-H407 HydrophobicContact CB-CB 4.09Å
347	E	90.7	Very high	89.5	Confident	61 Å²	61	45.3 Å²	45.3	29%	0.285	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59.8	-25.1	176.4	60.4	-179.2	-143	0	0	114.6	R312 H325 P345 F349 D350 R353 N356	R312-E347 IonicContact CZ-OE1 3.49Å; R312-E347 IonicContact NH1-OE1 3.66Å; R312-E347 IonicContact NH2-OE1 2.8Å; R312-E347 PolarHBondContact NH2-OE1 3.02Å; H325-E347 IonicContact CE1-OE1 3.42Å; P345-E347 HydrophobicContact CB-CG 4.05Å; P345-E347 HydrophobicContact CG-CG 3.97Å; P345-E347 PolarHBondContact O-N 2.92Å; E347-F349 PolarHBondContact O-N 2.78Å; E347-F349 VanDerWaalsContact O-N 3.11Å; E347-D350 PolarHBondContact O-N 3.36Å; E347-R353 IonicContact OE1-NH1 2.87Å; E347-R353 PolarHBondContact OE1-NH1 3.43Å; E347-R353 IonicContact OE2-NH1 2.91Å; E347-R353 PolarHBondContact OE2-NH1 3.28Å; E347-N356 PolarHBondContact O-ND2 3.3Å
348	V	91.1	Very high	89.2	Confident	2 Å²	2	45 Å²	45	1%	0.012	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.5	-22.2	174.1	171.1	0	0	0	0	112.3	R322 L324 V344 P345 A346 N356	R322-V348 PolarHBondContact NH1-O 3.23Å; R322-V348 PolarHBondContact NH2-O 3.33Å; L324-V348 HydrophobicContact CB-CG1 3.77Å; V344-V348 HydrophobicContact CG1-CB 4.03Å; V344-V348 HydrophobicContact CG1-CG1 4.09Å; V344-V348 HydrophobicContact CG1-CG2 4.07Å; P345-V348 HydrophobicContact CG-CG2 4.07Å; P345-V348 WeakPolarHBondContact O-CB 3.33Å; P345-V348 PolarHBondContact O-N 2.94Å; P345-V348 VanDerWaalsContact O-N 3.08Å; A346-V348 PolarHBondContact O-N 3.09Å; V348-N356 PolarHBondContact O-OD1 3.19Å
349	F	91.7	Very high	89	Confident	40 Å²	40	41.1 Å²	41.1	18%	0.175	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-125.2	19.5	179.9	-52.8	-72.8	0	0	0	112.9	L320 V344 A346 E347 S384 G385 L387	L320-F349 HydrophobicContact CD1-CZ 4.42Å; V344-F349 HydrophobicContact CG1-CE2 3.8Å; A346-F349 PolarHBondContact O-N 3.13Å; A346-F349 VanDerWaalsContact O-N 3.09Å; E347-F349 PolarHBondContact O-N 2.78Å; E347-F349 VanDerWaalsContact O-N 3.11Å; F349-S384 CarbonylContact O-C 3.49Å; F349-S384 VanDerWaalsContact O-CA 3.25Å; F349-S384 WeakPolarHBondContact O-CA 3.21Å; F349-G385 PolarHBondContact O-N 3.18Å; F349-L387 HydrophobicContact CD1-CB 4.42Å; F349-L387 HydrophobicContact CE1-CB 4.43Å; F349-L387 HydrophobicContact CE1-CD2 4.44Å
350	D	89	Confident	88.4	Confident	28 Å²	28	41.8 Å²	41.8	15%	0.15	21%	0.208	C	C	.	.			trans	-83.8	118.7	175.9	-167.3	-39.7	0	0	0	110.5	A346 E347 R352 R353 N356 S384	A346-D350 PolarHBondContact O-N 3.01Å; E347-D350 PolarHBondContact O-N 3.36Å; D350-R352 PolarHBondContact O-N 3.17Å; D350-R352 VanDerWaalsContact OD1-CB 3.24Å; D350-R352 WeakPolarHBondContact OD1-CB 3.25Å; D350-R352 WeakPolarHBondContact OD1-CG 3.25Å; D350-R352 IonicContact OD1-CZ 2.81Å; D350-R352 PolarHBondContact OD1-N 2.89Å; D350-R352 IonicContact OD1-NE 2.85Å; D350-R352 PolarHBondContact OD1-NE 3.3Å; D350-R352 IonicContact OD1-NH2 3.72Å; D350-R352 IonicContact OD2-CZ 3.06Å; D350-R352 IonicContact OD2-NE 2.67Å; D350-R352 PolarHBondContact OD2-NE 3.25Å; D350-R352 IonicContact OD2-NH2 2.66Å; D350-R352 PolarHBondContact OD2-NH2 2.95Å; D350-R353 HydrophobicContact CB-CG 4.42Å; D350-R353 PolarHBondContact O-N 2.84Å; D350-N356 PolarHBondContact O-ND2 2.85Å; D350-S384 PolarHBondContact OD1-OG 3.04Å
351	D	83.3	Confident	87.4	Confident	61 Å²	61	43.4 Å²	43.4	33%	0.326	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.2	-176.9	66.3	-57.1	0	0	0	113.9	C381 L382 S384	D351-C381 HydrophobicContact CB-CB 4.13Å; D351-L382 VanDerWaalsContact CB-O 3.28Å; D351-L382 WeakPolarHBondContact CB-O 3.43Å; D351-S384 VanDerWaalsContact CG-N 3.3Å; D351-S384 PolarHBondContact N-OG 2.88Å; D351-S384 WeakPolarHBondContact OD1-CA 3.21Å; D351-S384 WeakPolarHBondContact OD1-CB 3.32Å; D351-S384 PolarHBondContact OD1-N 3Å; D351-S384 PolarHBondContact OD1-OG 3.24Å
352	R	82.7	Confident	86	Confident	190 Å²	190	44.6 Å²	44.6	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-12	-177.7	-52.1	165.3	-64.8	172.1	3.7	112.8	D350	D350-R352 PolarHBondContact O-N 3.17Å; D350-R352 VanDerWaalsContact OD1-CB 3.24Å; D350-R352 WeakPolarHBondContact OD1-CB 3.25Å; D350-R352 WeakPolarHBondContact OD1-CG 3.25Å; D350-R352 IonicContact OD1-CZ 2.81Å; D350-R352 PolarHBondContact OD1-N 2.89Å; D350-R352 IonicContact OD1-NE 2.85Å; D350-R352 PolarHBondContact OD1-NE 3.3Å; D350-R352 IonicContact OD1-NH2 3.72Å; D350-R352 IonicContact OD2-CZ 3.06Å; D350-R352 IonicContact OD2-NE 2.67Å; D350-R352 PolarHBondContact OD2-NE 3.25Å; D350-R352 IonicContact OD2-NH2 2.66Å; D350-R352 PolarHBondContact OD2-NH2 2.95Å
353	R	82.2	Confident	84.7	Confident	68 Å²	68	45.1 Å²	45.1	26%	0.257	23%	0.23	S	C	.	.			trans	-79.4	123.8	171.9	-70.8	-168.6	75.2	149.2	-4.9	109.6	E347 D350 E355 N356	E347-R353 IonicContact OE1-NH1 2.87Å; E347-R353 PolarHBondContact OE1-NH1 3.43Å; E347-R353 IonicContact OE2-NH1 2.91Å; E347-R353 PolarHBondContact OE2-NH1 3.28Å; D350-R353 HydrophobicContact CB-CG 4.42Å; D350-R353 PolarHBondContact O-N 2.84Å; R353-E355 IonicContact CZ-OE1 3.62Å; R353-E355 IonicContact CZ-OE2 3.6Å; R353-E355 VanDerWaalsContact CZ-OE2 3.23Å; R353-E355 VanDerWaalsContact NE-CD 3.35Å; R353-E355 IonicContact NE-OE1 3.07Å; R353-E355 PolarHBondContact NE-OE1 3.24Å; R353-E355 IonicContact NE-OE2 3.49Å; R353-E355 PolarHBondContact NE-OE2 3.22Å; R353-E355 IonicContact NH2-OE1 3.62Å; R353-E355 PolarHBondContact NH2-OE1 2.91Å; R353-E355 IonicContact NH2-OE2 2.68Å; R353-E355 PolarHBondContact NH2-OE2 3.1Å; R353-E355 PolarHBondContact O-N 3.02Å; R353-E355 VanDerWaalsContact O-N 3.13Å; R353-N356 PolarHBondContact O-N 2.88Å
354	V	79.9	Confident	83.5	Confident	87 Å²	87	46.1 Å²	46.1	53%	0.527	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-60.7	-26.3	-179.6	-166.9	0	0	0	0	111.6	F282 L285 N356 A357	F282-V354 HydrophobicContact CE1-CG1 4.4Å; L285-V354 HydrophobicContact CD1-CG1 3.65Å; V354-N356 VanDerWaalsContact C-N 3.28Å; V354-N356 PolarHBondContact O-N 3.11Å; V354-A357 WeakPolarHBondContact O-CB 3.46Å; V354-A357 PolarHBondContact O-N 3.02Å; V354-A357 VanDerWaalsContact O-N 3.12Å
355	E	78.8	Confident	82.5	Confident	66 Å²	66	44.8 Å²	44.8	31%	0.308	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-64.4	-29	175.7	-53.7	136.8	-105.1	0	0	113.2	F286 R353 A357	F286-E355 HydrophobicContact CD1-CG 4.17Å; F286-E355 HydrophobicContact CE1-CB 3.7Å; F286-E355 HydrophobicContact CE1-CG 3.52Å; F286-E355 HydrophobicContact CZ-CB 3.77Å; F286-E355 HydrophobicContact CZ-CG 3.88Å; R353-E355 IonicContact CZ-OE1 3.62Å; R353-E355 IonicContact CZ-OE2 3.6Å; R353-E355 VanDerWaalsContact CZ-OE2 3.23Å; R353-E355 VanDerWaalsContact NE-CD 3.35Å; R353-E355 IonicContact NE-OE1 3.07Å; R353-E355 PolarHBondContact NE-OE1 3.24Å; R353-E355 IonicContact NE-OE2 3.49Å; R353-E355 PolarHBondContact NE-OE2 3.22Å; R353-E355 IonicContact NH2-OE1 3.62Å; R353-E355 PolarHBondContact NH2-OE1 2.91Å; R353-E355 IonicContact NH2-OE2 2.68Å; R353-E355 PolarHBondContact NH2-OE2 3.1Å; R353-E355 PolarHBondContact O-N 3.02Å; R353-E355 VanDerWaalsContact O-N 3.13Å; E355-A357 VanDerWaalsContact C-N 3.26Å; E355-A357 PolarHBondContact O-N 3.05Å
356	N	84.4	Confident	81.3	Confident	16 Å²	16	47 Å²	47	9%	0.086	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-82.4	-2.3	176.5	-77.4	-41.7	0	0	0	112.8	R322 E347 V348 D350 R353 V354 G358 F359	R322-N356 PolarHBondContact NH2-OD1 3.36Å; E347-N356 PolarHBondContact O-ND2 3.3Å; V348-N356 PolarHBondContact O-OD1 3.19Å; D350-N356 PolarHBondContact O-ND2 2.85Å; R353-N356 PolarHBondContact O-N 2.88Å; V354-N356 VanDerWaalsContact C-N 3.28Å; V354-N356 PolarHBondContact O-N 3.11Å; N356-G358 VanDerWaalsContact C-N 3.35Å; N356-G358 PolarHBondContact O-N 3.39Å; N356-F359 HydrophobicContact CB-CD2 4.43Å; N356-F359 WeakPolarHBondContact O-CB 3.46Å; N356-F359 WeakPolarHBondContact O-CD2 3.28Å; N356-F359 PolarHBondContact O-N 3.14Å; N356-F359 VanDerWaalsContact O-N 3.08Å
357	A	82.7	Confident	80.2	Confident	10 Å²	10	46.2 Å²	46.2	8%	0.083	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.1	-40.5	-167.9	0	0	0	0	0	113.8	F282 V354 E355 F359 C360 L379	F282-A357 HydrophobicContact CE1-CB 4.4Å; V354-A357 WeakPolarHBondContact O-CB 3.46Å; V354-A357 PolarHBondContact O-N 3.02Å; V354-A357 VanDerWaalsContact O-N 3.12Å; E355-A357 VanDerWaalsContact C-N 3.26Å; E355-A357 PolarHBondContact O-N 3.05Å; A357-F359 PolarHBondContact O-N 3.25Å; A357-C360 VanDerWaalsContact O-CB 3.31Å; A357-C360 WeakPolarHBondContact O-CB 3.24Å; A357-C360 PolarHBondContact O-N 2.91Å; A357-L379 HydrophobicContact CB-CD2 3.56Å
358	G	83.7	Confident	79	Confident	3 Å²	3	46.6 Å²	46.6	3%	0.031	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-69	-15	-179.4	0	0	0	0	0	115.3	W263 A264 D265 S268 N356 C360	W263-G358 WeakPolarHBondContact CB-O 3.5Å; A264-G358 PolarHBondContact N-O 3.38Å; D265-G358 WeakPolarHBondContact OD2-CA 3.47Å; D265-G358 PolarHBondContact OD2-N 3.5Å; S268-G358 WeakPolarHBondContact OG-CA 3.46Å; N356-G358 VanDerWaalsContact C-N 3.35Å; N356-G358 PolarHBondContact O-N 3.39Å; G358-C360 VanDerWaalsContact C-N 3.3Å
359	F	86.9	Confident	77.7	Confident	21 Å²	21	51.4 Å²	51.4	9%	0.092	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-80.1	-11.1	171.9	-55.6	-71	0	0	0	112.8	W263 S268 R322 N356 A357 W361 L387	W263-F359 AromaticContact CD2-CD1 3.63Å; W263-F359 HydrophobicContact CD2-CD1 3.63Å; W263-F359 HydrophobicContact CD2-CE1 4.28Å; W263-F359 AromaticContact CE2-CD1 3.8Å; W263-F359 HydrophobicContact CE3-CB 4.19Å; W263-F359 AromaticContact CE3-CD1 3.96Å; W263-F359 HydrophobicContact CE3-CD1 3.96Å; W263-F359 AromaticContact CG-CD1 3.9Å; W263-F359 HydrophobicContact CG-CD1 3.9Å; W263-F359 HydrophobicContact CG-CE1 4.18Å; W263-F359 HydrophobicContact CZ2-CD1 4.27Å; W263-F359 HydrophobicContact CZ3-CB 4.29Å; W263-F359 HydrophobicContact CZ3-CD1 4.39Å; W263-F359 WeakPolarHBondContact CZ3-O 3.42Å; S268-F359 VanDerWaalsContact O-CE1 3.26Å; S268-F359 WeakPolarHBondContact O-CE1 3.41Å; R322-F359 HydrophobicContact CB-CD1 4.01Å; R322-F359 HydrophobicContact CB-CE1 3.48Å; R322-F359 VanDerWaalsContact CB-CE1 3.48Å; R322-F359 HydrophobicContact CB-CZ 4.3Å; R322-F359 HydrophobicContact CG-CD1 4.48Å; R322-F359 HydrophobicContact CG-CE1 4.2Å; N356-F359 HydrophobicContact CB-CD2 4.43Å; N356-F359 WeakPolarHBondContact O-CB 3.46Å; N356-F359 WeakPolarHBondContact O-CD2 3.28Å; N356-F359 PolarHBondContact O-N 3.14Å; N356-F359 VanDerWaalsContact O-N 3.08Å; A357-F359 PolarHBondContact O-N 3.25Å; F359-W361 PolarHBondContact O-N 3.49Å; F359-L387 HydrophobicContact CB-CD1 4.11Å
360	C	82.6	Confident	76.1	Confident	18 Å²	18	57 Å²	57	12%	0.122	28%	0.282	C	S	.	.			trans	-81	95.3	-179.3	-66.4	0	0	0	0	112.7	A357 G358 L379 C381	A357-C360 VanDerWaalsContact O-CB 3.31Å; A357-C360 WeakPolarHBondContact O-CB 3.24Å; A357-C360 PolarHBondContact O-N 2.91Å; G358-C360 VanDerWaalsContact C-N 3.3Å; C360-L379 HydrophobicContact CB-CD1 4.16Å; C360-L379 HydrophobicContact CB-CD2 4.12Å; C360-L379 HydrophobicContact CB-CG 3.84Å; C360-C381 HydrophobicContact CB-CB 3.89Å; C360-C381 WeakPolarHBondContact CB-SG 3.47Å; C360-C381 VanDerWaalsContact SG-CA 3.6Å; C360-C381 WeakPolarHBondContact SG-CB 3.21Å; C360-C381 CovalentContact SG-SG 2.04Å; C360-C381 PolarHBondContact SG-SG 3.01Å
361	W	75.2	Confident	74.7	Confident	70 Å²	70	61.4 Å²	61.4	27%	0.265	30%	0.301	S	S	.	.			trans	-85.2	131.2	165.1	-85.4	102.7	0	0	0	112.3	V262 W263 F359 T363 N388 K391	V262-W361 WeakPolarHBondContact O-CZ2 3.34Å; V262-W361 PolarHBondContact O-NE1 3.27Å; W263-W361 AromaticContact CE3-CD1 3.78Å; W263-W361 AromaticContact CE3-NE1 3.92Å; W263-W361 AromaticContact CZ3-CD1 3.91Å; F359-W361 PolarHBondContact O-N 3.49Å; W361-T363 PolarHBondContact O-N 3.06Å; W361-T363 VanDerWaalsContact O-N 3.11Å; W361-N388 PolarHBondContact O-ND2 2.79Å; W361-K391 HydrophobicContact CD2-CG 4.32Å; W361-K391 HydrophobicContact CZ2-CG 4.31Å
362	P	69.1	Low	73.1	Confident	72 Å²	72	67.6 Å²	67.6	47%	0.468	33%	0.325	S	S	.	.			trans	-40.2	116.1	170.6	-35.3	35.6	0	0	0	114.5	A380	P362-A380 HydrophobicContact CB-CB 4.24Å; P362-A380 HydrophobicContact CG-CB 4.36Å
363	T	68.8	Low	71.7	Confident	10 Å²	10	59.8 Å²	59.8	6%	0.061	30%	0.298	C	S	.	.			trans	-92.1	153.7	176.8	-179.3	0	0	0	0	111.2	W361 V365 Y366 L382	W361-T363 PolarHBondContact O-N 3.06Å; W361-T363 VanDerWaalsContact O-N 3.11Å; T363-V365 WeakPolarHBondContact CG2-O 3.46Å; T363-V365 PolarHBondContact OG1-N 3.24Å; T363-V365 PolarHBondContact OG1-O 3Å; T363-Y366 HydrophobicContact CG2-CD1 4Å; T363-Y366 HydrophobicContact CG2-CE1 3.78Å; T363-Y366 VanDerWaalsContact O-CZ 3.31Å; T363-Y366 PolarHBondContact O-OH 3.2Å; T363-L382 HydrophobicContact CG2-CD2 4.02Å; T363-L382 WeakPolarHBondContact OG1-CD2 3.36Å
364	D	70.6	Confident	70	Confident	44 Å²	44	61 Å²	61	24%	0.235	31%	0.31	C	S	.	.	S	Bend	trans	-100	-3.7	167.4	-97.8	-40.9	0	0	0	112.2	R161 V453	R161-D364 IonicContact CZ-OD1 2.56Å; R161-D364 IonicContact CZ-OD2 3.97Å; R161-D364 IonicContact NE-OD1 2.74Å; R161-D364 IonicContact NE-OD2 2.88Å; R161-D364 PolarHBondContact NE-OD2 3.45Å; R161-D364 IonicContact NH2-OD1 3.46Å; R161-D364 PolarHBondContact NH2-OD1 3.46Å; R161-D364 IonicContact NH2-OD2 3.85Å; R161-D364 PolarHBondContact NH2-OD2 3.22Å; D364-V453 HydrophobicContact CB-CB 4.36Å; D364-V453 HydrophobicContact CB-CG1 3.74Å; D364-V453 HydrophobicContact CB-CG2 3.6Å
365	V	73.8	Confident	68.4	Low	1 Å²	1	64.7 Å²	64.7	1%	0.006	32%	0.319	C	S	.	.			trans	-116.7	127.2	178.4	-172.6	0	0	0	0	109.3	T363 Y367 A451 M452 V453 I468	T363-V365 WeakPolarHBondContact CG2-O 3.46Å; T363-V365 PolarHBondContact OG1-N 3.24Å; T363-V365 PolarHBondContact OG1-O 3Å; V365-Y367 HydrophobicContact CG1-CE2 3.85Å; V365-A451 HydrophobicContact CG2-CB 4Å; V365-M452 WeakPolarHBondContact CG2-O 3.37Å; V365-V453 HydrophobicContact CG2-CG2 3.75Å; V365-I468 HydrophobicContact CB-CG1 4.29Å; V365-I468 HydrophobicContact CG1-CG1 4.02Å
366	Y	68.3	Low	66.6	Low	72 Å²	72	67.5 Å²	67.5	28%	0.282	34%	0.341	S	S	.	.			trans	-124.1	148.5	-173.2	-56.8	-78.8	0	0	0	111.3	T363 E369 V373	T363-Y366 HydrophobicContact CG2-CD1 4Å; T363-Y366 HydrophobicContact CG2-CE1 3.78Å; T363-Y366 VanDerWaalsContact O-CZ 3.31Å; T363-Y366 PolarHBondContact O-OH 3.2Å; Y366-E369 WeakPolarHBondContact O-CA 3.23Å; Y366-V373 HydrophobicContact CD1-CG2 4.02Å; Y366-V373 HydrophobicContact CE1-CG2 3.45Å; Y366-V373 VanDerWaalsContact CE1-CG2 3.45Å
367	Y	69.6	Low	64.8	Low	30 Å²	30	71.8 Å²	71.8	12%	0.118	37%	0.368	C	S	.	.	S	Bend	trans	-136.2	124	175.4	-65.7	-86.3	0	0	0	110.1	V365 P383 E411 V412 S415 I468	V365-Y367 HydrophobicContact CG1-CE2 3.85Å; Y367-P383 HydrophobicContact CD2-CG 4.04Å; Y367-P383 HydrophobicContact CG-CG 4.32Å; Y367-E411 HydrophobicContact CD1-CB 4.34Å; Y367-V412 HydrophobicContact CD1-CG2 4.28Å; Y367-V412 HydrophobicContact CD2-CG2 3.82Å; Y367-V412 HydrophobicContact CE2-CG2 4.11Å; Y367-V412 HydrophobicContact CG-CG2 3.89Å; Y367-S415 PolarHBondContact OH-OG 3.49Å; Y367-I468 HydrophobicContact CE2-CB 4.47Å; Y367-I468 HydrophobicContact CE2-CD1 3.82Å; Y367-I468 HydrophobicContact CE2-CG1 4.01Å; Y367-I468 PolarHBondContact OH-N 3.35Å
368	P	65.7	Low	63	Low	69 Å²	69	73.9 Å²	73.9	45%	0.448	39%	0.39	S	S	.	.	S	Bend	cis	-59.5	153.7	-13	27.2	-35.7	0	0	0	112.6	N370 Q371	P368-N370 PolarHBondContact O-N 3.31Å; P368-Q371 HydrophobicContact CG-CB 4.32Å; P368-Q371 WeakPolarHBondContact O-CB 3.37Å; P368-Q371 PolarHBondContact O-N 2.76Å
369	E	63	Low	61.4	Low	104 Å²	104	76.9 Å²	76.9	49%	0.486	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.9	-170.5	-165.2	166.8	-159.5	0	0	114.5	Y366 S466	Y366-E369 WeakPolarHBondContact O-CA 3.23Å; E369-S466 PolarHBondContact OE1-N 3.41Å; E369-S466 VanDerWaalsContact OE1-N 3.14Å
370	N	57.5	Low	60.3	Low	158 Å²	158	76.1 Å²	76.1	85%	0.845	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5	177.5	-65.8	-37.3	0	0	0	114.6	P368 K372	P368-N370 PolarHBondContact O-N 3.31Å; N370-K372 PolarHBondContact O-N 3.25Å
371	Q	61.1	Low	60	Low	119 Å²	119	76.5 Å²	76.5	56%	0.556	41%	0.406	S	S	*	.			trans	-75.9	95.1	-177.2	-175	166.4	-15.5	0	0	110.9	P368 V373	P368-Q371 HydrophobicContact CG-CB 4.32Å; P368-Q371 WeakPolarHBondContact O-CB 3.37Å; P368-Q371 PolarHBondContact O-N 2.76Å; Q371-V373 PolarHBondContact O-N 3.47Å
372	K	49.6	Very low	60.5	Low	192 Å²	192	73.7 Å²	73.7	84%	0.835	40%	0.396	S	S	*	.			trans	-62.9	128.2	163.7	-69.6	-175.9	177.8	-179.4	0	109	N370 D374	N370-K372 PolarHBondContact O-N 3.25Å; K372-D374 PolarHBondContact O-N 2.86Å
373	V	52.9	Low	61.3	Low	26 Å²	26	71 Å²	71	16%	0.158	38%	0.378	C	S	.	.			trans	-63.2	133.4	171.2	179.1	0	0	0	0	109.3	Y366 Q371 F375 A380	Y366-V373 HydrophobicContact CD1-CG2 4.02Å; Y366-V373 HydrophobicContact CE1-CG2 3.45Å; Y366-V373 VanDerWaalsContact CE1-CG2 3.45Å; Q371-V373 PolarHBondContact O-N 3.47Å; V373-F375 WeakPolarHBondContact O-CD2 3.14Å; V373-F375 PolarHBondContact O-N 3.42Å; V373-A380 HydrophobicContact CB-CB 4.37Å; V373-A380 HydrophobicContact CG1-CB 4Å; V373-A380 HydrophobicContact CG2-CB 3.79Å
374	D	45.3	Very low	62.3	Low	93 Å²	93	71.4 Å²	71.4	50%	0.497	38%	0.382	S	S	.	.			trans	-76.4	101.7	165.3	-169.3	-19.4	0	0	0	108.8	K372 T376 T377	K372-D374 PolarHBondContact O-N 2.86Å; D374-T376 PolarHBondContact O-N 2.76Å; D374-T376 VanDerWaalsContact O-N 3.09Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.38Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.33Å; D374-T376 PolarHBondContact OD1-N 2.91Å; D374-T376 PolarHBondContact OD1-OG1 3.39Å; D374-T376 PolarHBondContact OD2-OG1 2.85Å; D374-T377 PolarHBondContact O-N 3.09Å; D374-T377 PolarHBondContact O-OG1 3Å; D374-T377 VanDerWaalsContact O-OG1 3.1Å
375	F	47.6	Very low	63.4	Low	164 Å²	164	69.6 Å²	69.6	72%	0.719	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.3	178.6	-71.8	-86.9	0	0	0	113.3	V373 G378	V373-F375 WeakPolarHBondContact O-CD2 3.14Å; V373-F375 PolarHBondContact O-N 3.42Å; F375-G378 WeakPolarHBondContact O-CA 3.26Å; F375-G378 PolarHBondContact O-N 3.11Å; F375-G378 VanDerWaalsContact O-N 3.17Å
376	T	39.6	Very low	64.3	Low	125 Å²	125	70.2 Å²	70.2	77%	0.767	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.2	175.7	70.1	0	0	0	0	113.4	D374 G378	D374-T376 PolarHBondContact O-N 2.76Å; D374-T376 VanDerWaalsContact O-N 3.09Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.38Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.33Å; D374-T376 PolarHBondContact OD1-N 2.91Å; D374-T376 PolarHBondContact OD1-OG1 3.39Å; D374-T376 PolarHBondContact OD2-OG1 2.85Å; T376-G378 VanDerWaalsContact C-N 3.33Å
377	T	48.2	Very low	65.5	Low	106 Å²	106	67 Å²	67	65%	0.65	37%	0.365	S	S	*	.	S	Bend	trans	-87.5	-6	166.1	62.8	0	0	0	0	112.5	D374 L379	D374-T377 PolarHBondContact O-N 3.09Å; D374-T377 PolarHBondContact O-OG1 3Å; D374-T377 VanDerWaalsContact O-OG1 3.1Å; T377-L379 PolarHBondContact O-N 3Å
378	G	44.4	Very low	66.6	Low	54 Å²	54	66.1 Å²	66.1	56%	0.557	36%	0.362	S	S	*	.			trans	75.4	-5.9	170.8	0	0	0	0	0	116.4	F375 T376	F375-G378 WeakPolarHBondContact O-CA 3.26Å; F375-G378 PolarHBondContact O-N 3.11Å; F375-G378 VanDerWaalsContact O-N 3.17Å; T376-G378 VanDerWaalsContact C-N 3.33Å
379	L	50.6	Low	67.8	Low	66 Å²	66	62.9 Å²	62.9	35%	0.346	34%	0.341	S	S	.	.			trans	-121.6	97	-160.5	-142.4	73.4	0	0	0	114.5	A357 C360 T377 C381	A357-L379 HydrophobicContact CB-CD2 3.56Å; C360-L379 HydrophobicContact CB-CD1 4.16Å; C360-L379 HydrophobicContact CB-CD2 4.12Å; C360-L379 HydrophobicContact CB-CG 3.84Å; T377-L379 PolarHBondContact O-N 3Å; L379-C381 VanDerWaalsContact C-N 3.31Å; L379-C381 WeakPolarHBondContact CD2-SG 3.45Å; L379-C381 PolarHBondContact O-N 2.87Å; L379-C381 VanDerWaalsContact O-N 3.15Å
380	A	63.6	Low	69.1	Low	6 Å²	6	58 Å²	58	5%	0.05	32%	0.318	C	S	.	.			trans	-85.3	64.8	173.3	0	0	0	0	0	111.5	P362 V373	P362-A380 HydrophobicContact CB-CB 4.24Å; P362-A380 HydrophobicContact CG-CB 4.36Å; V373-A380 HydrophobicContact CB-CB 4.37Å; V373-A380 HydrophobicContact CG1-CB 4Å; V373-A380 HydrophobicContact CG2-CB 3.79Å
381	C	75.4	Confident	70.4	Confident	26 Å²	26	54.6 Å²	54.6	18%	0.176	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.1	156.7	175.5	-66.5	0	0	0	0	112.8	D351 C360 L379	D351-C381 HydrophobicContact CB-CB 4.13Å; C360-C381 HydrophobicContact CB-CB 3.89Å; C360-C381 WeakPolarHBondContact CB-SG 3.47Å; C360-C381 VanDerWaalsContact SG-CA 3.6Å; C360-C381 WeakPolarHBondContact SG-CB 3.21Å; C360-C381 CovalentContact SG-SG 2.04Å; C360-C381 PolarHBondContact SG-SG 3.01Å; L379-C381 VanDerWaalsContact C-N 3.31Å; L379-C381 WeakPolarHBondContact CD2-SG 3.45Å; L379-C381 PolarHBondContact O-N 2.87Å; L379-C381 VanDerWaalsContact O-N 3.15Å
382	L	85.8	Confident	71.7	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.058	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-76.7	151	152.7	-73.8	178.8	0	0	0	109	D351 T363 L386 N388 V399 I468	D351-L382 VanDerWaalsContact CB-O 3.28Å; D351-L382 WeakPolarHBondContact CB-O 3.43Å; T363-L382 HydrophobicContact CG2-CD2 4.02Å; T363-L382 WeakPolarHBondContact OG1-CD2 3.36Å; L382-L386 HydrophobicContact CB-CB 3.99Å; L382-L386 HydrophobicContact CB-CD1 4.28Å; L382-L386 HydrophobicContact CD1-CB 4.03Å; L382-L386 HydrophobicContact CD1-CD1 4.48Å; L382-N388 HydrophobicContact CD1-CB 3.85Å; L382-V399 HydrophobicContact CD1-CB 4.36Å; L382-V399 HydrophobicContact CD1-CG1 3.63Å; L382-V399 HydrophobicContact CD1-CG2 3.74Å; L382-I468 HydrophobicContact CD1-CD1 4.23Å; L382-I468 HydrophobicContact CD2-CD1 3.69Å
383	P	85.8	Confident	73.5	Confident	15 Å²	15	45.3 Å²	45.3	10%	0.097	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.4	158.6	173.1	-18.2	25.5	0	0	0	112.9	Y367 L386 V412	Y367-P383 HydrophobicContact CD2-CG 4.04Å; Y367-P383 HydrophobicContact CG-CG 4.32Å; P383-L386 WeakPolarHBondContact O-CB 3.42Å; P383-L386 PolarHBondContact O-N 3.21Å; P383-V412 HydrophobicContact CB-CG2 4.17Å; P383-V412 HydrophobicContact CG-CG2 4.01Å
384	S	90.2	Very high	75	Confident	19 Å²	19	49.1 Å²	49.1	13%	0.133	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38	140.9	172.7	-73.8	0	0	0	0	113.6	F349 D350 D351 A408 S409	F349-S384 CarbonylContact O-C 3.49Å; F349-S384 VanDerWaalsContact O-CA 3.25Å; F349-S384 WeakPolarHBondContact O-CA 3.21Å; D350-S384 PolarHBondContact OD1-OG 3.04Å; D351-S384 VanDerWaalsContact CG-N 3.3Å; D351-S384 PolarHBondContact N-OG 2.88Å; D351-S384 WeakPolarHBondContact OD1-CA 3.21Å; D351-S384 WeakPolarHBondContact OD1-CB 3.32Å; D351-S384 PolarHBondContact OD1-N 3Å; D351-S384 PolarHBondContact OD1-OG 3.24Å; S384-A408 WeakPolarHBondContact O-CA 3.43Å; S384-A408 WeakPolarHBondContact O-CB 3.19Å; S384-S409 PolarHBondContact O-N 3.32Å
385	G	93	Very high	76.8	Confident	6 Å²	6	46.2 Å²	46.2	6%	0.062	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	8.7	177.9	0	0	0	0	0	115.5	F349 S401	F349-G385 PolarHBondContact O-N 3.18Å; G385-S401 WeakPolarHBondContact O-CB 3.21Å
386	L	93.8	Very high	78.8	Confident	13 Å²	13	39 Å²	39	7%	0.068	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	-179.7	-60.1	177.4	0	0	0	111.7	L382 P383 V399 F405 V412 I468	L382-L386 HydrophobicContact CB-CB 3.99Å; L382-L386 HydrophobicContact CB-CD1 4.28Å; L382-L386 HydrophobicContact CD1-CB 4.03Å; L382-L386 HydrophobicContact CD1-CD1 4.48Å; P383-L386 WeakPolarHBondContact O-CB 3.42Å; P383-L386 PolarHBondContact O-N 3.21Å; L386-V399 HydrophobicContact CB-CG1 3.98Å; L386-V399 HydrophobicContact CD2-CG1 4.08Å; L386-V399 HydrophobicContact CG-CG1 4.48Å; L386-F405 HydrophobicContact CD2-CD1 3.85Å; L386-F405 HydrophobicContact CD2-CE1 3.74Å; L386-V412 HydrophobicContact CD1-CG1 4.02Å; L386-V412 HydrophobicContact CD1-CG2 3.89Å; L386-V412 HydrophobicContact CD2-CG1 4.16Å; L386-V412 HydrophobicContact CG-CG1 4.41Å; L386-I468 HydrophobicContact CD1-CD1 3.72Å
387	L	92.8	Very high	81.4	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.9	174	-175.4	68.7	0	0	0	111.3	W263 L320 R322 F349 F359 V389 V399 L400	W263-L387 HydrophobicContact CH2-CD1 3.87Å; W263-L387 HydrophobicContact CH2-CD2 4.39Å; W263-L387 HydrophobicContact CH2-CG 4.14Å; W263-L387 HydrophobicContact CZ3-CD1 4.29Å; L320-L387 HydrophobicContact CB-CD2 4.1Å; L320-L387 HydrophobicContact CD2-CD2 4.09Å; R322-L387 HydrophobicContact CG-CD2 4.19Å; F349-L387 HydrophobicContact CD1-CB 4.42Å; F349-L387 HydrophobicContact CE1-CB 4.43Å; F349-L387 HydrophobicContact CE1-CD2 4.44Å; F359-L387 HydrophobicContact CB-CD1 4.11Å; L387-V389 HydrophobicContact CD2-CG1 3.75Å; L387-V389 HydrophobicContact CG-CG1 3.89Å; L387-V389 PolarHBondContact O-N 3.25Å; L387-V399 CarbonylContact O-C 3.56Å; L387-V399 WeakPolarHBondContact O-CA 3.3Å; L387-L400 PolarHBondContact N-O 2.67Å; L387-L400 PolarHBondContact O-N 3.14Å
388	N	92	Very high	83.6	Confident	11 Å²	11	28.8 Å²	28.8	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.1	175.8	-175.8	-4	0	0	0	110.5	W263 W361 L382 S390	W263-N388 WeakPolarHBondContact CH2-O 3.05Å; W263-N388 WeakPolarHBondContact CZ3-O 3.41Å; W361-N388 PolarHBondContact O-ND2 2.79Å; L382-N388 HydrophobicContact CD1-CB 3.85Å; N388-S390 WeakPolarHBondContact OD1-CB 3.49Å; N388-S390 PolarHBondContact OD1-N 2.84Å; N388-S390 PolarHBondContact OD1-OG 3.02Å
389	V	92.2	Very high	86	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.143	C	C	.	.			trans	-96.8	11	-178.8	-61.9	0	0	0	0	113.6	W263 L387 K391 C392 Q393 I398 L400	W263-V389 HydrophobicContact CH2-CG1 4.38Å; L387-V389 HydrophobicContact CD2-CG1 3.75Å; L387-V389 HydrophobicContact CG-CG1 3.89Å; L387-V389 PolarHBondContact O-N 3.25Å; V389-K391 PolarHBondContact O-N 3.09Å; V389-C392 PolarHBondContact O-N 3.28Å; V389-Q393 HydrophobicContact CB-CG 4.43Å; V389-Q393 HydrophobicContact CG2-CG 3.82Å; V389-Q393 PolarHBondContact O-N 3.05Å; V389-Q393 VanDerWaalsContact O-N 3.15Å; V389-I398 HydrophobicContact CG2-CB 4.02Å; V389-I398 HydrophobicContact CG2-CG2 3.77Å; V389-I398 WeakPolarHBondContact CG2-O 3.42Å; V389-I398 PolarHBondContact N-O 3.08Å; V389-I398 VanDerWaalsContact N-O 3.14Å; V389-L400 HydrophobicContact CB-CD1 4.4Å; V389-L400 HydrophobicContact CG1-CD1 3.75Å; V389-L400 HydrophobicContact CG1-CG 4.14Å; V389-L400 HydrophobicContact CG2-CD1 3.86Å; V389-L400 HydrophobicContact CG2-CG 3.76Å
390	S	89.1	Confident	88.1	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.7	-172.3	-53.6	0	0	0	0	113.8	N388 C392 Q393 D395 A396 P397	N388-S390 WeakPolarHBondContact OD1-CB 3.49Å; N388-S390 PolarHBondContact OD1-N 2.84Å; N388-S390 PolarHBondContact OD1-OG 3.02Å; S390-C392 VanDerWaalsContact C-N 3.35Å; S390-C392 PolarHBondContact O-N 2.68Å; S390-Q393 CarbonylContact O-C 3.59Å; S390-Q393 PolarHBondContact O-N 3.31Å; S390-D395 WeakPolarHBondContact O-CA 3.2Å; S390-D395 PolarHBondContact O-N 2.87Å; S390-A396 WeakPolarHBondContact CA-O 3.3Å; S390-A396 WeakPolarHBondContact CB-O 3.48Å; S390-A396 PolarHBondContact OG-O 3.4Å; S390-P397 WeakPolarHBondContact OG-CA 3.4Å
391	K	86.2	Confident	89.7	Confident	85 Å²	85	23.9 Å²	23.9	37%	0.37	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.1	178.5	-88.5	-71.9	166.7	-147.7	0	114.1	V262 W361 V389 D395	V262-K391 HydrophobicContact CG1-CB 4.01Å; W361-K391 HydrophobicContact CD2-CG 4.32Å; W361-K391 HydrophobicContact CZ2-CG 4.31Å; V389-K391 PolarHBondContact O-N 3.09Å; K391-D395 WeakPolarHBondContact CE-OD1 3.32Å; K391-D395 VanDerWaalsContact NZ-CG 3.25Å; K391-D395 IonicContact NZ-OD1 2.99Å; K391-D395 PolarHBondContact NZ-OD1 2.63Å; K391-D395 IonicContact NZ-OD2 3.33Å; K391-D395 PolarHBondContact NZ-OD2 2.79Å
392	C	87.7	Confident	90.8	Very high	46 Å²	46	23.6 Å²	23.6	31%	0.311	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-24.9	172.6	-158.8	0	0	0	0	112.3	V262 C321 V389 S390 M394	V262-C392 HydrophobicContact CG1-CB 4.18Å; V262-C392 HydrophobicContact CG2-CB 4.38Å; C321-C392 HydrophobicContact CB-CB 3.63Å; C321-C392 WeakPolarHBondContact CB-SG 3.47Å; C321-C392 WeakPolarHBondContact SG-CB 3.37Å; C321-C392 CovalentContact SG-SG 2.02Å; C321-C392 PolarHBondContact SG-SG 3.19Å; V389-C392 PolarHBondContact O-N 3.28Å; S390-C392 VanDerWaalsContact C-N 3.35Å; S390-C392 PolarHBondContact O-N 2.68Å; C392-M394 PolarHBondContact O-N 2.68Å
393	Q	88.1	Confident	91.4	Very high	71 Å²	71	23.1 Å²	23.1	33%	0.332	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	44	-176.3	-58.2	-61.4	-22	0	0	112.8	V389 S390 D395 A396 I398	V389-Q393 HydrophobicContact CB-CG 4.43Å; V389-Q393 HydrophobicContact CG2-CG 3.82Å; V389-Q393 PolarHBondContact O-N 3.05Å; V389-Q393 VanDerWaalsContact O-N 3.15Å; S390-Q393 CarbonylContact O-C 3.59Å; S390-Q393 PolarHBondContact O-N 3.31Å; Q393-D395 VanDerWaalsContact C-N 3.28Å; Q393-D395 PolarHBondContact O-N 2.76Å; Q393-A396 WeakPolarHBondContact O-CB 3.32Å; Q393-A396 PolarHBondContact O-N 2.79Å; Q393-I398 HydrophobicContact CB-CB 4.41Å; Q393-I398 HydrophobicContact CB-CG1 4.18Å; Q393-I398 HydrophobicContact CG-CB 4.31Å; Q393-I398 HydrophobicContact CG-CG1 4.41Å
394	M	83.3	Confident	92	Very high	105 Å²	105	22.9 Å²	22.9	52%	0.517	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	29.1	174.9	-56.7	179.3	-76.9	0	0	115.9	K159 T216 P219 C392 A396	K159-M394 WeakPolarHBondContact CE-O 3.36Å; T216-M394 HydrophobicContact CG2-CB 4.45Å; P219-M394 HydrophobicContact CG-CE 4.41Å; C392-M394 PolarHBondContact O-N 2.68Å; M394-A396 PolarHBondContact O-N 3.49Å
395	D	84.5	Confident	92.3	Very high	33 Å²	33	22 Å²	22	18%	0.176	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	20.4	-169.1	-75.6	-68.2	0	0	0	114.3	H158 K159 R162 S390 K391 Q393	H158-D395 PolarHBondContact CD2-O 3.45Å; H158-D395 VanDerWaalsContact CD2-O 3.23Å; H158-D395 IonicContact NE2-OD1 2.89Å; K159-D395 HydrophobicContact CG-CB 4.35Å; R162-D395 IonicContact CZ-OD1 2.79Å; R162-D395 IonicContact NH1-OD1 2.65Å; R162-D395 PolarHBondContact NH1-OD1 3.36Å; S390-D395 WeakPolarHBondContact O-CA 3.2Å; S390-D395 PolarHBondContact O-N 2.87Å; K391-D395 WeakPolarHBondContact CE-OD1 3.32Å; K391-D395 VanDerWaalsContact NZ-CG 3.25Å; K391-D395 IonicContact NZ-OD1 2.99Å; K391-D395 PolarHBondContact NZ-OD1 2.63Å; K391-D395 IonicContact NZ-OD2 3.33Å; K391-D395 PolarHBondContact NZ-OD2 2.79Å; Q393-D395 VanDerWaalsContact C-N 3.28Å; Q393-D395 PolarHBondContact O-N 2.76Å
396	A	89.5	Confident	92.5	Very high	12 Å²	12	22.2 Å²	22.2	10%	0.099	12%	0.117	C	C	.	.			trans	-70.3	137	162.5	0	0	0	0	0	110	V151 T155 S390 Q393 M394 I398	V151-A396 HydrophobicContact CG1-CB 4.34Å; T155-A396 HydrophobicContact CG2-CB 4.14Å; T155-A396 WeakPolarHBondContact OG1-CA 3.29Å; T155-A396 VanDerWaalsContact OG1-CB 3.24Å; T155-A396 WeakPolarHBondContact OG1-CB 3.33Å; S390-A396 WeakPolarHBondContact CA-O 3.3Å; S390-A396 WeakPolarHBondContact CB-O 3.48Å; S390-A396 PolarHBondContact OG-O 3.4Å; Q393-A396 WeakPolarHBondContact O-CB 3.32Å; Q393-A396 PolarHBondContact O-N 2.79Å; M394-A396 PolarHBondContact O-N 3.49Å; A396-I398 HydrophobicContact CB-CG1 4.06Å; A396-I398 PolarHBondContact O-N 3.27Å
397	P	92.6	Very high	92.5	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.026	13%	0.132	C	C	.	.			trans	-77.6	60.1	-172.4	31.6	-36.9	0	0	0	112.8	W154 H158 S390 V450 A451	W154-P397 HydrophobicContact CB-CG 3.74Å; H158-P397 HydrophobicContact CB-CB 4.38Å; H158-P397 HydrophobicContact CB-CG 4.32Å; S390-P397 WeakPolarHBondContact OG-CA 3.4Å; P397-V450 HydrophobicContact CG-CG1 4.42Å; P397-V450 WeakPolarHBondContact O-CA 3.31Å; P397-A451 HydrophobicContact CB-CB 4.29Å; P397-A451 PolarHBondContact O-N 3.29Å
398	I	94.3	Very high	92.6	Very high	13 Å²	13	25.5 Å²	25.5	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.2	-177.8	-55.7	-57.9	0	0	0	110.3	V151 V389 Q393 A396 L400 I448 N449 V450	V151-I398 HydrophobicContact CG1-CD1 4.17Å; V389-I398 HydrophobicContact CG2-CB 4.02Å; V389-I398 HydrophobicContact CG2-CG2 3.77Å; V389-I398 WeakPolarHBondContact CG2-O 3.42Å; V389-I398 PolarHBondContact N-O 3.08Å; V389-I398 VanDerWaalsContact N-O 3.14Å; Q393-I398 HydrophobicContact CB-CB 4.41Å; Q393-I398 HydrophobicContact CB-CG1 4.18Å; Q393-I398 HydrophobicContact CG-CB 4.31Å; Q393-I398 HydrophobicContact CG-CG1 4.41Å; A396-I398 HydrophobicContact CB-CG1 4.06Å; A396-I398 PolarHBondContact O-N 3.27Å; I398-L400 HydrophobicContact CG2-CD2 4.06Å; I398-I448 HydrophobicContact CG2-CG2 3.94Å; I398-N449 WeakPolarHBondContact CA-O 3.35Å; I398-V450 HydrophobicContact CD1-CG2 4.16Å
399	V	94.9	Very high	92.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.8	173	178.4	0	0	0	0	108.6	L382 L386 L387 N449 A451 I468	L382-V399 HydrophobicContact CD1-CB 4.36Å; L382-V399 HydrophobicContact CD1-CG1 3.63Å; L382-V399 HydrophobicContact CD1-CG2 3.74Å; L386-V399 HydrophobicContact CB-CG1 3.98Å; L386-V399 HydrophobicContact CD2-CG1 4.08Å; L386-V399 HydrophobicContact CG-CG1 4.48Å; L387-V399 CarbonylContact O-C 3.56Å; L387-V399 WeakPolarHBondContact O-CA 3.3Å; V399-N449 HydrophobicContact CB-CB 4.33Å; V399-N449 PolarHBondContact N-O 3.21Å; V399-N449 WeakPolarHBondContact O-CA 3.43Å; V399-N449 VanDerWaalsContact O-CB 3.23Å; V399-N449 WeakPolarHBondContact O-CB 3.44Å; V399-N449 PolarHBondContact O-N 3.2Å; V399-N449 PolarHBondContact O-ND2 3.26Å; V399-A451 HydrophobicContact CG2-CB 4.07Å; V399-I468 HydrophobicContact CB-CG2 4.06Å; V399-I468 HydrophobicContact CG1-CD1 4.31Å; V399-I468 HydrophobicContact CG1-CG2 4.21Å; V399-I468 HydrophobicContact CG2-CD1 4.26Å; V399-I468 HydrophobicContact CG2-CG2 4.46Å
400	L	96.1	Very high	92.4	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149.5	177.4	-60.7	-178.7	0	0	0	110.9	L320 L387 V389 I398 L446 Q447 I448	L320-L400 HydrophobicContact CD2-CB 4.28Å; L320-L400 HydrophobicContact CD2-CD1 3.71Å; L387-L400 PolarHBondContact N-O 2.67Å; L387-L400 PolarHBondContact O-N 3.14Å; V389-L400 HydrophobicContact CB-CD1 4.4Å; V389-L400 HydrophobicContact CG1-CD1 3.75Å; V389-L400 HydrophobicContact CG1-CG 4.14Å; V389-L400 HydrophobicContact CG2-CD1 3.86Å; V389-L400 HydrophobicContact CG2-CG 3.76Å; I398-L400 HydrophobicContact CG2-CD2 4.06Å; L400-L446 HydrophobicContact CB-CD1 4.12Å; L400-L446 HydrophobicContact CD1-CD1 4.39Å; L400-L446 HydrophobicContact CD1-CD2 4.35Å; L400-L446 HydrophobicContact CD2-CD2 4.45Å; L400-L446 HydrophobicContact CD2-CG 4.49Å; L400-Q447 WeakPolarHBondContact CA-O 3.11Å; L400-I448 HydrophobicContact CD2-CB 4.32Å; L400-I448 HydrophobicContact CD2-CG1 3.95Å; L400-I448 HydrophobicContact CD2-CG2 4.39Å
401	S	97	Very high	92.5	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.4	178.3	68.3	0	0	0	0	111	G385 F405 Q447 N449	G385-S401 WeakPolarHBondContact O-CB 3.21Å; S401-F405 WeakPolarHBondContact OG-CD1 3.41Å; S401-Q447 PolarHBondContact N-O 2.85Å; S401-Q447 VanDerWaalsContact N-O 3.11Å; S401-Q447 PolarHBondContact O-N 2.88Å; S401-Q447 PolarHBondContact OG-NE2 3.4Å; S401-N449 PolarHBondContact OG-ND2 2.96Å; S401-N449 VanDerWaalsContact OG-ND2 3.07Å
402	S	97.5	Very high	92.8	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	17%	0.168	C	C	.	.	S	Bend	trans	-69.8	157.7	161.4	-55.5	0	0	0	0	111.2	F405	S402-F405 PolarHBondContact O-N 2.81Å
403	P	98.4	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-57.9	141.5	179.3	-21.9	29.7	0	0	0	114.7	F405 L406 H426 K445 W473	P403-F405 PolarHBondContact O-N 2.66Å; P403-L406 WeakPolarHBondContact O-CB 3.36Å; P403-L406 PolarHBondContact O-N 3.41Å; P403-H426 HydrophobicContact CB-CB 3.8Å; P403-H426 WeakPolarHBondContact CD-O 3.24Å; P403-H426 HydrophobicContact CG-CB 4.04Å; P403-H426 PolarHBondContact O-ND1 3.43Å; P403-H426 VanDerWaalsContact O-ND1 3.14Å; P403-K445 HydrophobicContact CG-CB 3.93Å; P403-W473 HydrophobicContact CB-CB 4.05Å; P403-W473 HydrophobicContact CB-CD2 3.71Å; P403-W473 HydrophobicContact CB-CE3 3.81Å; P403-W473 HydrophobicContact CB-CG 3.85Å; P403-W473 HydrophobicContact CB-CZ3 4.45Å; P403-W473 HydrophobicContact CG-CB 4.2Å; P403-W473 HydrophobicContact CG-CD2 4.01Å; P403-W473 HydrophobicContact CG-CE3 3.61Å; P403-W473 HydrophobicContact CG-CG 4.29Å; P403-W473 HydrophobicContact CG-CZ3 4.25Å
404	H	98.2	Very high	93.4	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.046	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	50.8	30.9	-172.2	-54.6	-105.3	0	0	0	114.3	F79 E98 L406 L419 K420 P421 H426 W473	F79-H404 AromaticContact CE1-CE1 3.68Å; F79-H404 AromaticContact CE1-ND1 3.87Å; F79-H404 AromaticContact CZ-CE1 3.76Å; F79-H404 AromaticContact CZ-ND1 3.85Å; E98-H404 IonicContact OE2-CE1 2.72Å; E98-H404 PolarHBondContact OE2-CE1 2.92Å; E98-H404 IonicContact OE2-NE2 3.72Å; E98-H404 PolarHBondContact OE2-NE2 2.88Å; E98-H404 VanDerWaalsContact OE2-NE2 3.09Å; H404-L406 VanDerWaalsContact C-N 3.27Å; H404-L406 PolarHBondContact O-N 3.48Å; H404-L419 HydrophobicContact CB-CB 4.1Å; H404-L419 HydrophobicContact CB-CD2 4.22Å; H404-K420 PolarHBondContact ND1-N 3.22Å; H404-P421 HydrophobicContact CB-CB 4.37Å; H404-H426 AromaticContact CD2-CE1 3Å; H404-H426 PolarHBondContact CD2-CE1 2.78Å; H404-H426 AromaticContact CD2-ND1 3.52Å; H404-H426 AromaticContact CD2-NE2 3.39Å; H404-H426 PolarHBondContact CD2-NE2 3.47Å; H404-H426 AromaticContact CG-CE1 3.54Å; H404-H426 AromaticContact NE2-CE1 3.73Å; H404-H426 AromaticContact NE2-NE2 3.76Å; H404-W473 AromaticContact CD2-NE1 3.97Å; H404-W473 AromaticContact NE2-CE2 3.84Å; H404-W473 AromaticContact NE2-NE1 3.29Å; H404-W473 PolarHBondContact NE2-NE1 2.95Å
405	F	97.6	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	56.6	37	-174.4	-63.9	-46.4	0	0	0	113.3	L386 S401 S402 P403 A408 V412 Q413 V416 L419 N449 I468 P470	L386-F405 HydrophobicContact CD2-CD1 3.85Å; L386-F405 HydrophobicContact CD2-CE1 3.74Å; S401-F405 WeakPolarHBondContact OG-CD1 3.41Å; S402-F405 PolarHBondContact O-N 2.81Å; P403-F405 PolarHBondContact O-N 2.66Å; F405-A408 HydrophobicContact CB-CB 3.89Å; F405-A408 WeakPolarHBondContact O-CB 3.38Å; F405-A408 PolarHBondContact O-N 3.26Å; F405-A408 VanDerWaalsContact O-N 3.09Å; F405-V412 HydrophobicContact CB-CG1 4.34Å; F405-V412 HydrophobicContact CD1-CG1 3.96Å; F405-V412 HydrophobicContact CD2-CG1 3.75Å; F405-V412 HydrophobicContact CE1-CG1 4.11Å; F405-V412 HydrophobicContact CE2-CG1 3.92Å; F405-V412 HydrophobicContact CG-CG1 3.79Å; F405-V412 HydrophobicContact CZ-CG1 4.11Å; F405-Q413 HydrophobicContact CB-CG 3.85Å; F405-Q413 WeakPolarHBondContact O-CG 3.27Å; F405-Q413 PolarHBondContact O-NE2 2.88Å; F405-V416 HydrophobicContact CE2-CG2 4.41Å; F405-L419 HydrophobicContact CB-CD1 4.47Å; F405-L419 HydrophobicContact CD2-CD1 3.3Å; F405-L419 HydrophobicContact CE2-CD1 3.82Å; F405-L419 HydrophobicContact CG-CD1 4.13Å; F405-N449 WeakPolarHBondContact CE1-OD1 3.44Å; F405-N449 WeakPolarHBondContact CZ-OD1 3.37Å; F405-I468 HydrophobicContact CE1-CG2 4.35Å; F405-I468 HydrophobicContact CZ-CG2 4.06Å; F405-P470 HydrophobicContact CD2-CG 4.45Å; F405-P470 HydrophobicContact CE2-CG 3.65Å; F405-P470 HydrophobicContact CZ-CG 3.73Å
406	L	96.9	Very high	94.5	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.058	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.6	168.2	-175.3	71.3	0	0	0	110	P403 H404 A408 P421 V423 H426 T427	P403-L406 WeakPolarHBondContact O-CB 3.36Å; P403-L406 PolarHBondContact O-N 3.41Å; H404-L406 VanDerWaalsContact C-N 3.27Å; H404-L406 PolarHBondContact O-N 3.48Å; L406-A408 PolarHBondContact O-N 2.85Å; L406-P421 HydrophobicContact CB-CB 4.21Å; L406-P421 HydrophobicContact CD1-CB 4.03Å; L406-V423 HydrophobicContact CD1-CG2 4.08Å; L406-H426 HydrophobicContact CB-CB 4.23Å; L406-H426 HydrophobicContact CD2-CB 3.88Å; L406-T427 WeakPolarHBondContact CD2-OG1 3.16Å
407	H	94.3	Very high	94.9	Very high	81 Å²	81	32 Å²	32	38%	0.375	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-8.5	-171.4	-52.2	-66.2	0	0	0	116.9	A346	A346-H407 HydrophobicContact CB-CB 4.09Å
408	A	93.8	Very high	95	Very high	8 Å²	8	33.9 Å²	33.9	7%	0.066	18%	0.179	C	C	.	.	S	Bend	trans	-74.4	164.1	176.5	0	0	0	0	0	113.5	S384 F405 L406 V412 Q413	S384-A408 WeakPolarHBondContact O-CA 3.43Å; S384-A408 WeakPolarHBondContact O-CB 3.19Å; F405-A408 HydrophobicContact CB-CB 3.89Å; F405-A408 WeakPolarHBondContact O-CB 3.38Å; F405-A408 PolarHBondContact O-N 3.26Å; F405-A408 VanDerWaalsContact O-N 3.09Å; L406-A408 PolarHBondContact O-N 2.85Å; A408-V412 HydrophobicContact CB-CB 4.27Å; A408-V412 HydrophobicContact CB-CG1 4.09Å; A408-Q413 PolarHBondContact O-NE2 2.81Å
409	S	89.7	Confident	95.2	Very high	24 Å²	24	34.5 Å²	34.5	17%	0.168	18%	0.183	C	C	.	.			trans	-56.3	154	177.1	109.8	0	0	0	0	112.6	S384 E411 V412 Q413	S384-S409 PolarHBondContact O-N 3.32Å; S409-E411 VanDerWaalsContact CB-OE2 3.25Å; S409-E411 WeakPolarHBondContact CB-OE2 3.4Å; S409-E411 PolarHBondContact O-N 2.93Å; S409-E411 PolarHBondContact OG-N 2.78Å; S409-E411 PolarHBondContact OG-OE2 2.85Å; S409-V412 PolarHBondContact O-N 3.01Å; S409-V412 PolarHBondContact OG-N 2.88Å; S409-Q413 PolarHBondContact O-N 3.46Å
410	K	91.6	Very high	95.3	Very high	127 Å²	127	42.4 Å²	42.4	55%	0.552	22%	0.217	S	C	*	.	H	α-helix	trans	-69.1	-25.7	-179.4	-74	-67.4	174.8	-169.3	0	112.4	N414	K410-N414 WeakPolarHBondContact O-CB 3.49Å; K410-N414 PolarHBondContact O-N 2.93Å; K410-N414 PolarHBondContact O-ND2 2.72Å
411	E	90.2	Very high	95.3	Very high	97 Å²	97	44 Å²	44	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-43.7	173.8	-57.6	62.2	-131.5	0	0	110.1	Y367 S409 N414 S415	Y367-E411 HydrophobicContact CD1-CB 4.34Å; S409-E411 VanDerWaalsContact CB-OE2 3.25Å; S409-E411 WeakPolarHBondContact CB-OE2 3.4Å; S409-E411 PolarHBondContact O-N 2.93Å; S409-E411 PolarHBondContact OG-N 2.78Å; S409-E411 PolarHBondContact OG-OE2 2.85Å; E411-N414 CarbonylContact O-C 3.54Å; E411-N414 PolarHBondContact O-N 2.81Å; E411-S415 PolarHBondContact O-N 3.2Å
412	V	92.9	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-50.6	174.7	176.9	0	0	0	0	110.7	Y367 P383 L386 F405 A408 S409 N414 S415	Y367-V412 HydrophobicContact CD1-CG2 4.28Å; Y367-V412 HydrophobicContact CD2-CG2 3.82Å; Y367-V412 HydrophobicContact CE2-CG2 4.11Å; Y367-V412 HydrophobicContact CG-CG2 3.89Å; P383-V412 HydrophobicContact CB-CG2 4.17Å; P383-V412 HydrophobicContact CG-CG2 4.01Å; L386-V412 HydrophobicContact CD1-CG1 4.02Å; L386-V412 HydrophobicContact CD1-CG2 3.89Å; L386-V412 HydrophobicContact CD2-CG1 4.16Å; L386-V412 HydrophobicContact CG-CG1 4.41Å; F405-V412 HydrophobicContact CB-CG1 4.34Å; F405-V412 HydrophobicContact CD1-CG1 3.96Å; F405-V412 HydrophobicContact CD2-CG1 3.75Å; F405-V412 HydrophobicContact CE1-CG1 4.11Å; F405-V412 HydrophobicContact CE2-CG1 3.92Å; F405-V412 HydrophobicContact CG-CG1 3.79Å; F405-V412 HydrophobicContact CZ-CG1 4.11Å; A408-V412 HydrophobicContact CB-CB 4.27Å; A408-V412 HydrophobicContact CB-CG1 4.09Å; S409-V412 PolarHBondContact O-N 3.01Å; S409-V412 PolarHBondContact OG-N 2.88Å; V412-N414 VanDerWaalsContact C-N 3.29Å; V412-N414 PolarHBondContact O-N 3.04Å; V412-S415 VanDerWaalsContact O-CB 3.24Å; V412-S415 WeakPolarHBondContact O-CB 3.32Å; V412-S415 PolarHBondContact O-N 3.27Å; V412-S415 PolarHBondContact O-OG 3.22Å
413	Q	94.1	Very high	95.3	Very high	22 Å²	22	50 Å²	50	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-40.3	176.2	-70.6	175.4	13.6	0	0	112	F405 A408 S409 S415 P421	F405-Q413 HydrophobicContact CB-CG 3.85Å; F405-Q413 WeakPolarHBondContact O-CG 3.27Å; F405-Q413 PolarHBondContact O-NE2 2.88Å; A408-Q413 PolarHBondContact O-NE2 2.81Å; S409-Q413 PolarHBondContact O-N 3.46Å; Q413-S415 VanDerWaalsContact C-N 3.26Å; Q413-S415 PolarHBondContact O-N 2.55Å; Q413-P421 HydrophobicContact CG-CG 4.47Å
414	N	94.3	Very high	95.1	Very high	105 Å²	105	59 Å²	59	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.4	178.4	-71.2	-36.8	0	0	0	114.1	K93 K410 E411 V412 V416	K93-N414 WeakPolarHBondContact CE-O 3.19Å; K93-N414 PolarHBondContact NZ-O 2.74Å; K410-N414 WeakPolarHBondContact O-CB 3.49Å; K410-N414 PolarHBondContact O-N 2.93Å; K410-N414 PolarHBondContact O-ND2 2.72Å; E411-N414 CarbonylContact O-C 3.54Å; E411-N414 PolarHBondContact O-N 2.81Å; V412-N414 VanDerWaalsContact C-N 3.29Å; V412-N414 PolarHBondContact O-N 3.04Å; N414-V416 VanDerWaalsContact C-N 3.32Å; N414-V416 PolarHBondContact O-N 3.02Å
415	S	93.7	Very high	95	Very high	8 Å²	8	63.7 Å²	63.7	6%	0.056	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.3	-178.4	76	0	0	0	0	114.4	Y367 E411 V412 Q413 R465	Y367-S415 PolarHBondContact OH-OG 3.49Å; E411-S415 PolarHBondContact O-N 3.2Å; V412-S415 VanDerWaalsContact O-CB 3.24Å; V412-S415 WeakPolarHBondContact O-CB 3.32Å; V412-S415 PolarHBondContact O-N 3.27Å; V412-S415 PolarHBondContact O-OG 3.22Å; Q413-S415 VanDerWaalsContact C-N 3.26Å; Q413-S415 PolarHBondContact O-N 2.55Å; S415-R465 PolarHBondContact O-NH2 2.96Å
416	V	96	Very high	95	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.024	32%	0.322	C	S	.	.	S	Bend	trans	-135.5	160.2	176.8	-64.1	0	0	0	0	111	K93 P94 L96 F405 N414 L419 V467 M469 P470	K93-V416 VanDerWaalsContact CE-CA 3.49Å; K93-V416 WeakPolarHBondContact CE-O 3.46Å; K93-V416 PolarHBondContact NZ-O 2.74Å; K93-V416 VanDerWaalsContact NZ-O 3.11Å; P94-V416 HydrophobicContact CB-CG1 3.96Å; P94-V416 HydrophobicContact CG-CG1 4.05Å; L96-V416 HydrophobicContact CD1-CB 3.98Å; L96-V416 HydrophobicContact CD1-CG1 4.41Å; L96-V416 HydrophobicContact CD1-CG2 3.86Å; L96-V416 HydrophobicContact CG-CB 4.4Å; F405-V416 HydrophobicContact CE2-CG2 4.41Å; N414-V416 VanDerWaalsContact C-N 3.32Å; N414-V416 PolarHBondContact O-N 3.02Å; V416-L419 HydrophobicContact CG2-CD1 3.41Å; V416-L419 VanDerWaalsContact CG2-CD1 3.41Å; V416-L419 HydrophobicContact CG2-CG 3.69Å; V416-V467 HydrophobicContact CG1-CG2 4.12Å; V416-M469 HydrophobicContact CG1-SD 4.15Å; V416-P470 HydrophobicContact CG2-CG 4.23Å
417	F	97.8	Very high	95	Very high	114 Å²	114	64.3 Å²	64.3	50%	0.5	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-100	150.4	171.9	-67.9	-64	0	0	0	110.1	K93 P94 L96	K93-F417 HydrophobicContact CB-CD2 4.09Å; K93-F417 HydrophobicContact CB-CE2 3.75Å; K93-F417 HydrophobicContact CB-CZ 4.49Å; K93-F417 HydrophobicContact CD-CD1 4.14Å; K93-F417 HydrophobicContact CD-CD2 3.76Å; K93-F417 HydrophobicContact CD-CE1 3.91Å; K93-F417 HydrophobicContact CD-CE2 3.53Å; K93-F417 HydrophobicContact CD-CG 4.07Å; K93-F417 HydrophobicContact CD-CZ 3.61Å; K93-F417 VanDerWaalsContact CE-CD1 3.44Å; K93-F417 VanDerWaalsContact CE-CG 3.48Å; K93-F417 HydrophobicContact CG-CD2 3.61Å; K93-F417 HydrophobicContact CG-CE2 3.63Å; K93-F417 HydrophobicContact CG-CG 4.22Å; K93-F417 HydrophobicContact CG-CZ 4.25Å; P94-F417 PolarHBondContact O-N 2.62Å; L96-F417 VanDerWaalsContact CB-O 3.31Å; L96-F417 WeakPolarHBondContact CB-O 3.41Å; L96-F417 WeakPolarHBondContact CG-O 3.39Å; L96-F417 PolarHBondContact N-O 3.47Å
418	G	96.3	Very high	95.1	Very high	44 Å²	44	62 Å²	62	45%	0.454	32%	0.317	S	S	.	.	S	Bend	trans	107.7	-20.4	177.4	0	0	0	0	0	114.8
419	L	97.4	Very high	95.3	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.141	32%	0.32	C	S	.	.			trans	-74.5	143.4	-179.5	-59.1	-172.2	0	0	0	113.2	F79 L96 H404 F405 V416 P470	F79-L419 HydrophobicContact CD1-CD2 4.22Å; F79-L419 HydrophobicContact CE1-CD2 3.66Å; F79-L419 HydrophobicContact CE2-CD2 4.42Å; F79-L419 HydrophobicContact CZ-CD2 3.76Å; L96-L419 HydrophobicContact CD1-CD2 4.15Å; H404-L419 HydrophobicContact CB-CB 4.1Å; H404-L419 HydrophobicContact CB-CD2 4.22Å; F405-L419 HydrophobicContact CB-CD1 4.47Å; F405-L419 HydrophobicContact CD2-CD1 3.3Å; F405-L419 HydrophobicContact CE2-CD1 3.82Å; F405-L419 HydrophobicContact CG-CD1 4.13Å; V416-L419 HydrophobicContact CG2-CD1 3.41Å; V416-L419 VanDerWaalsContact CG2-CD1 3.41Å; V416-L419 HydrophobicContact CG2-CG 3.69Å; L419-P470 HydrophobicContact CD1-CG 4.1Å; L419-P470 HydrophobicContact CD2-CG 4.32Å
420	K	96.9	Very high	95.5	Very high	168 Å²	168	63.1 Å²	63.1	73%	0.73	32%	0.318	S	S	*	.			trans	-142.1	68.5	-178.1	-63.9	177.5	-176.3	171.7	0	111.1	H404 N422 H426	H404-K420 PolarHBondContact ND1-N 3.22Å; K420-N422 PolarHBondContact O-N 3.12Å; K420-H426 PolarHBondContact O-CE1 2.8Å; K420-H426 VanDerWaalsContact O-CE1 3.24Å
421	P	97	Very high	95.7	Very high	44 Å²	44	57.1 Å²	57.1	29%	0.286	29%	0.292	S	S	.	.			trans	-57.8	123	-176.3	21.7	-32.1	0	0	0	112.7	H404 L406 Q413	H404-P421 HydrophobicContact CB-CB 4.37Å; L406-P421 HydrophobicContact CB-CB 4.21Å; L406-P421 HydrophobicContact CD1-CB 4.03Å; Q413-P421 HydrophobicContact CG-CG 4.47Å
422	N	97.3	Very high	95.9	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	27%	0.27	S	S	.	.			trans	-128.1	124.4	-178.4	176.8	-4.4	0	0	0	109	K420 K424 E425 H426	K420-N422 PolarHBondContact O-N 3.12Å; N422-K424 PolarHBondContact OD1-N 3.02Å; N422-E425 HydrophobicContact CB-CB 3.93Å; N422-E425 WeakPolarHBondContact ND2-CB 3.31Å; N422-E425 PolarHBondContact ND2-OE2 3.48Å; N422-E425 PolarHBondContact O-N 2.82Å; N422-H426 PolarHBondContact N-CE1 3.04Å; N422-H426 PolarHBondContact N-ND1 2.69Å; N422-H426 VanDerWaalsContact O-CB 3.32Å; N422-H426 WeakPolarHBondContact O-CB 3.19Å; N422-H426 PolarHBondContact O-N 2.92Å
423	V	96	Very high	95.8	Very high	90 Å²	90	52.8 Å²	52.8	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-52.1	-176.9	-178.5	0	0	0	0	111.1	L406 E425 H426 T427	L406-V423 HydrophobicContact CD1-CG2 4.08Å; V423-E425 PolarHBondContact O-N 2.97Å; V423-H426 PolarHBondContact O-N 2.92Å; V423-T427 WeakPolarHBondContact O-CB 3.39Å; V423-T427 PolarHBondContact O-N 3.42Å; V423-T427 PolarHBondContact O-OG1 3.08Å
424	K	95	Very high	95.6	Very high	187 Å²	187	52.6 Å²	52.6	81%	0.813	27%	0.272	S	S	*	.	H	α-helix	trans	-62.1	-32.7	-175.7	-175.7	172.9	-178.6	174.9	0	112.5	N422	N422-K424 PolarHBondContact OD1-N 3.02Å
425	E	96.3	Very high	95.2	Very high	109 Å²	109	49.3 Å²	49.3	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-86.8	-44	-175.5	-161.8	166.1	-172.2	0	0	111.5	N422 V423 K445	N422-E425 HydrophobicContact CB-CB 3.93Å; N422-E425 WeakPolarHBondContact ND2-CB 3.31Å; N422-E425 PolarHBondContact ND2-OE2 3.48Å; N422-E425 PolarHBondContact O-N 2.82Å; V423-E425 PolarHBondContact O-N 2.97Å; E425-K445 WeakPolarHBondContact O-CD 3.41Å; E425-K445 WeakPolarHBondContact O-CE 3.5Å; E425-K445 PolarHBondContact O-NZ 2.82Å
426	H	97.8	Very high	94.6	Very high	3 Å²	3	50 Å²	50	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-103.2	-10.8	-168.1	-50	161.7	0	0	0	115.2	P403 H404 L406 K420 N422 V423 T428	P403-H426 HydrophobicContact CB-CB 3.8Å; P403-H426 WeakPolarHBondContact CD-O 3.24Å; P403-H426 HydrophobicContact CG-CB 4.04Å; P403-H426 PolarHBondContact O-ND1 3.43Å; P403-H426 VanDerWaalsContact O-ND1 3.14Å; H404-H426 AromaticContact CD2-CE1 3Å; H404-H426 PolarHBondContact CD2-CE1 2.78Å; H404-H426 AromaticContact CD2-ND1 3.52Å; H404-H426 AromaticContact CD2-NE2 3.39Å; H404-H426 PolarHBondContact CD2-NE2 3.47Å; H404-H426 AromaticContact CG-CE1 3.54Å; H404-H426 AromaticContact NE2-CE1 3.73Å; H404-H426 AromaticContact NE2-NE2 3.76Å; L406-H426 HydrophobicContact CB-CB 4.23Å; L406-H426 HydrophobicContact CD2-CB 3.88Å; K420-H426 PolarHBondContact O-CE1 2.8Å; K420-H426 VanDerWaalsContact O-CE1 3.24Å; N422-H426 PolarHBondContact N-CE1 3.04Å; N422-H426 PolarHBondContact N-ND1 2.69Å; N422-H426 VanDerWaalsContact O-CB 3.32Å; N422-H426 WeakPolarHBondContact O-CB 3.19Å; N422-H426 PolarHBondContact O-N 2.92Å; V423-H426 PolarHBondContact O-N 2.92Å; H426-T428 PolarHBondContact O-N 3.22Å
427	T	97.2	Very high	94	Very high	22 Å²	22	49.9 Å²	49.9	14%	0.135	26%	0.26	C	S	.	.			trans	-65.5	134.8	173.5	-70.5	0	0	0	0	110.9	T343 L406 V423 W429 K445	T343-T427 HydrophobicContact CG2-CG2 4.25Å; L406-T427 WeakPolarHBondContact CD2-OG1 3.16Å; V423-T427 WeakPolarHBondContact O-CB 3.39Å; V423-T427 PolarHBondContact O-N 3.42Å; V423-T427 PolarHBondContact O-OG1 3.08Å; T427-W429 VanDerWaalsContact O-CD1 3.24Å; T427-K445 PolarHBondContact O-NZ 2.81Å; T427-K445 VanDerWaalsContact O-NZ 3.11Å
428	T	96.6	Very high	93.4	Very high	32 Å²	32	46.9 Å²	46.9	20%	0.196	25%	0.249	C	C	.	.			trans	-79.7	129.4	168.1	-74.1	0	0	0	0	109.8	V344 H426 Q443 K445	V344-T428 HydrophobicContact CG2-CG2 4Å; H426-T428 PolarHBondContact O-N 3.22Å; T428-Q443 WeakPolarHBondContact CA-O 3.45Å; T428-K445 WeakPolarHBondContact OG1-CA 3.49Å; T428-K445 PolarHBondContact OG1-N 2.83Å; T428-K445 PolarHBondContact OG1-O 2.99Å
429	W	96.2	Very high	93.1	Very high	34 Å²	34	44.9 Å²	44.9	13%	0.129	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164	-177.4	57.5	-101.7	0	0	0	112.7	R341 F342 T343 T427 D431 E441 Q443	R341-W429 HydrophobicContact CG-CB 4.16Å; F342-W429 CarbonylContact O-C 3.56Å; F342-W429 WeakPolarHBondContact O-CA 3.13Å; F342-W429 WeakPolarHBondContact O-CB 3.37Å; T343-W429 HydrophobicContact CG2-CB 4.07Å; T427-W429 VanDerWaalsContact O-CD1 3.24Å; W429-D431 VanDerWaalsContact CE3-OD1 3.3Å; W429-D431 HydrophobicContact CZ3-CB 4.46Å; W429-D431 VanDerWaalsContact CZ3-CG 3.45Å; W429-D431 WeakPolarHBondContact CZ3-OD1 3.01Å; W429-D431 VanDerWaalsContact CZ3-OD2 3.31Å; W429-D431 WeakPolarHBondContact CZ3-OD2 3.39Å; W429-E441 HydrophobicContact CH2-CG 3.93Å; W429-E441 WeakPolarHBondContact CH2-OE1 3.27Å; W429-E441 HydrophobicContact CZ3-CB 4.13Å; W429-E441 HydrophobicContact CZ3-CG 3.91Å; W429-Q443 HydrophobicContact CD2-CB 4.23Å; W429-Q443 HydrophobicContact CD2-CG 4.4Å; W429-Q443 HydrophobicContact CH2-CG 3.94Å; W429-Q443 HydrophobicContact CZ2-CB 4.31Å; W429-Q443 HydrophobicContact CZ2-CG 3.69Å; W429-Q443 VanDerWaalsContact CZ2-NE2 3.27Å; W429-Q443 HydrophobicContact CZ3-CG 4.37Å; W429-Q443 PolarHBondContact N-O 2.94Å; W429-Q443 VanDerWaalsContact N-O 3.1Å; W429-Q443 PolarHBondContact O-N 3.43Å
430	M	95.1	Very high	92.9	Very high	22 Å²	22	43.6 Å²	43.6	11%	0.108	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.5	171.6	63.4	-173.5	-174.5	0	0	110.6	L313 V326 R341 F342 I432 E441 F442	L313-M430 HydrophobicContact CD1-CE 3.79Å; V326-M430 HydrophobicContact CB-CE 4.33Å; V326-M430 HydrophobicContact CG2-CE 3.28Å; R341-M430 WeakPolarHBondContact CA-O 3.29Å; F342-M430 HydrophobicContact CB-CE 3.59Å; F342-M430 HydrophobicContact CB-CG 3.91Å; F342-M430 HydrophobicContact CD2-CE 4.36Å; F342-M430 HydrophobicContact CG-CE 3.97Å; F342-M430 PolarHBondContact N-O 3.4Å; F342-M430 PolarHBondContact O-N 2.97Å; M430-I432 HydrophobicContact CE-CD1 3.52Å; M430-I432 HydrophobicContact CG-CD1 4.18Å; M430-I432 HydrophobicContact CG-CG1 4.32Å; M430-I432 HydrophobicContact SD-CD1 3.92Å; M430-E441 WeakPolarHBondContact CA-O 3.45Å; M430-F442 HydrophobicContact CB-CB 4.47Å; M430-F442 HydrophobicContact CB-CD1 3.38Å; M430-F442 HydrophobicContact CB-CE1 3.87Å; M430-F442 HydrophobicContact CB-CG 4.1Å; M430-F442 HydrophobicContact CG-CD1 4.32Å; M430-F442 HydrophobicContact CG-CE1 4.43Å; M430-F442 HydrophobicContact SD-CD1 4.15Å; M430-F442 HydrophobicContact SD-CE1 3.92Å
431	D	95.8	Very high	92.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.6	178.9	-62.3	-11	0	0	0	108.5	V332 S334 A339 R341 W429 I440 E441	V332-D431 HydrophobicContact CG2-CB 4.2Å; S334-D431 WeakPolarHBondContact CB-OD2 3.1Å; S334-D431 WeakPolarHBondContact OG-CB 3.21Å; S334-D431 PolarHBondContact OG-OD2 2.58Å; A339-D431 HydrophobicContact CB-CB 4.13Å; R341-D431 IonicContact CZ-OD1 3.68Å; R341-D431 VanDerWaalsContact CZ-OD1 3.3Å; R341-D431 IonicContact CZ-OD2 3.66Å; R341-D431 IonicContact NE-OD1 3.38Å; R341-D431 PolarHBondContact NE-OD1 3.29Å; R341-D431 IonicContact NE-OD2 3.91Å; R341-D431 VanDerWaalsContact NH2-CG 3.31Å; R341-D431 IonicContact NH2-OD1 2.69Å; R341-D431 PolarHBondContact NH2-OD1 3.11Å; R341-D431 IonicContact NH2-OD2 2.72Å; R341-D431 PolarHBondContact NH2-OD2 2.91Å; W429-D431 VanDerWaalsContact CE3-OD1 3.3Å; W429-D431 HydrophobicContact CZ3-CB 4.46Å; W429-D431 VanDerWaalsContact CZ3-CG 3.45Å; W429-D431 WeakPolarHBondContact CZ3-OD1 3.01Å; W429-D431 VanDerWaalsContact CZ3-OD2 3.31Å; W429-D431 WeakPolarHBondContact CZ3-OD2 3.39Å; D431-I440 PolarHBondContact O-N 2.89Å; D431-E441 PolarHBondContact N-O 3.32Å
432	I	93.3	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.7	-176.6	-58.3	171.2	0	0	0	110.3	N303 L307 L313 A339 Y340 F342 M430 P434 G437	N303-I432 HydrophobicContact CB-CD1 4.32Å; N303-I432 WeakPolarHBondContact ND2-CD1 3.25Å; L307-I432 HydrophobicContact CD1-CB 4.1Å; L307-I432 HydrophobicContact CD1-CD1 4.3Å; L307-I432 HydrophobicContact CD1-CG2 3.58Å; L313-I432 HydrophobicContact CD1-CD1 3.89Å; A339-I432 CarbonylContact C-O 3.54Å; A339-I432 WeakPolarHBondContact CA-O 3.45Å; Y340-I432 PolarHBondContact N-O 2.9Å; Y340-I432 PolarHBondContact O-N 2.91Å; F342-I432 HydrophobicContact CD2-CB 4.42Å; F342-I432 HydrophobicContact CD2-CD1 3.93Å; F342-I432 HydrophobicContact CD2-CG1 4.32Å; F342-I432 HydrophobicContact CE2-CB 4.29Å; F342-I432 HydrophobicContact CE2-CD1 4.18Å; M430-I432 HydrophobicContact CE-CD1 3.52Å; M430-I432 HydrophobicContact CG-CD1 4.18Å; M430-I432 HydrophobicContact CG-CG1 4.32Å; M430-I432 HydrophobicContact SD-CD1 3.92Å; I432-P434 WeakPolarHBondContact O-CD 3.47Å; I432-G437 VanDerWaalsContact CG2-C 3.45Å
433	E	91.2	Very high	92.6	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.6	169.1	-170.5	-70.5	121.5	0	0	109.1	V435 S436 G437 L438 I440 L492 F493	E433-V435 PolarHBondContact O-N 3.41Å; E433-V435 VanDerWaalsContact OE1-CB 3.25Å; E433-V435 WeakPolarHBondContact OE1-CB 3.4Å; E433-V435 WeakPolarHBondContact OE1-CG2 3.26Å; E433-V435 PolarHBondContact OE1-N 2.87Å; E433-V435 PolarHBondContact OE2-N 2.71Å; E433-S436 WeakPolarHBondContact OE2-CB 3.45Å; E433-S436 PolarHBondContact OE2-N 2.93Å; E433-S436 PolarHBondContact OE2-OG 2.72Å; E433-G437 WeakPolarHBondContact O-CA 3.43Å; E433-G437 PolarHBondContact O-N 2.81Å; E433-L438 PolarHBondContact N-O 3.49Å; E433-I440 HydrophobicContact CB-CD1 4.08Å; E433-I440 HydrophobicContact CB-CG1 4.18Å; E433-L492 VanDerWaalsContact CD-CD2 3.4Å; E433-L492 HydrophobicContact CG-CD2 4.08Å; E433-L492 WeakPolarHBondContact OE2-CD2 3.37Å; E433-F493 HydrophobicContact CG-CE2 3.99Å; E433-F493 HydrophobicContact CG-CZ 3.72Å
434	P	90.6	Very high	92.6	Very high	18 Å²	18	34.9 Å²	34.9	12%	0.117	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.6	-163.1	25.8	-35.1	0	0	0	114.4	F306 L307 Y340 I432	F306-P434 CarbonylContact C-O 3.6Å; F306-P434 VanDerWaalsContact CA-O 3.24Å; F306-P434 WeakPolarHBondContact CA-O 3.32Å; F306-P434 PolarHBondContact N-O 3.43Å; L307-P434 HydrophobicContact CB-CB 4.16Å; L307-P434 PolarHBondContact N-O 2.77Å; Y340-P434 HydrophobicContact CD1-CG 4.39Å; Y340-P434 HydrophobicContact CD2-CB 3.74Å; Y340-P434 HydrophobicContact CD2-CG 4.39Å; Y340-P434 HydrophobicContact CE1-CB 4.48Å; Y340-P434 HydrophobicContact CE1-CG 4.2Å; Y340-P434 HydrophobicContact CE2-CB 3.61Å; Y340-P434 HydrophobicContact CE2-CG 4.19Å; Y340-P434 HydrophobicContact CG-CB 4.22Å; Y340-P434 HydrophobicContact CG-CG 4.48Å; I432-P434 WeakPolarHBondContact O-CD 3.47Å
435	V	84.8	Confident	92.7	Very high	37 Å²	37	26.5 Å²	26.5	22%	0.224	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-44.7	-175.2	-174.9	0	0	0	0	111.3	V33 V37 P305 F306 E433 L492	V33-V435 HydrophobicContact CG1-CG1 3.73Å; V37-V435 HydrophobicContact CG2-CG1 4.01Å; P305-V435 VanDerWaalsContact CB-O 3.32Å; P305-V435 WeakPolarHBondContact CB-O 3.47Å; F306-V435 HydrophobicContact CD1-CG1 3.98Å; F306-V435 VanDerWaalsContact CD1-O 3.26Å; F306-V435 WeakPolarHBondContact CD1-O 3.43Å; F306-V435 HydrophobicContact CE1-CG1 3.76Å; F306-V435 WeakPolarHBondContact CE1-O 3.41Å; F306-V435 PolarHBondContact N-O 2.8Å; E433-V435 PolarHBondContact O-N 3.41Å; E433-V435 VanDerWaalsContact OE1-CB 3.25Å; E433-V435 WeakPolarHBondContact OE1-CB 3.4Å; E433-V435 WeakPolarHBondContact OE1-CG2 3.26Å; E433-V435 PolarHBondContact OE1-N 2.87Å; E433-V435 PolarHBondContact OE2-N 2.71Å; V435-L492 HydrophobicContact CG1-CD1 4.29Å
436	S	82.1	Confident	92.7	Very high	21 Å²	21	22.5 Å²	22.5	15%	0.147	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-16.8	-176.7	67.2	0	0	0	0	114.7	R248 E433 L438	R248-S436 PolarHBondContact NH2-O 3.35Å; R248-S436 VanDerWaalsContact NH2-O 3.11Å; E433-S436 WeakPolarHBondContact OE2-CB 3.45Å; E433-S436 PolarHBondContact OE2-N 2.93Å; E433-S436 PolarHBondContact OE2-OG 2.72Å; S436-L438 PolarHBondContact O-N 3.18Å; S436-L438 VanDerWaalsContact OG-CB 3.32Å; S436-L438 WeakPolarHBondContact OG-CB 3.46Å; S436-L438 PolarHBondContact OG-N 3.31Å
437	G	83.9	Confident	92.7	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	13.1	-171.2	0	0	0	0	0	113.4	N303 P304 I432 E433	N303-G437 WeakPolarHBondContact CB-O 3.1Å; N303-G437 PolarHBondContact ND2-O 3.4Å; P304-G437 WeakPolarHBondContact O-CA 3.22Å; I432-G437 VanDerWaalsContact CG2-C 3.45Å; E433-G437 WeakPolarHBondContact O-CA 3.43Å; E433-G437 PolarHBondContact O-N 2.81Å
438	L	85.5	Confident	92.8	Very high	52 Å²	52	22.5 Å²	22.5	27%	0.272	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125	179.3	-177.2	63.6	0	0	0	110.8	Y70 E433 S436 L480 L488	Y70-L438 WeakPolarHBondContact OH-CD1 3.48Å; E433-L438 PolarHBondContact N-O 3.49Å; S436-L438 PolarHBondContact O-N 3.18Å; S436-L438 VanDerWaalsContact OG-CB 3.32Å; S436-L438 WeakPolarHBondContact OG-CB 3.46Å; S436-L438 PolarHBondContact OG-N 3.31Å; L438-L480 HydrophobicContact CD2-CD1 4.45Å; L438-L480 HydrophobicContact CD2-CD2 4.05Å; L438-L488 HydrophobicContact CD2-CD1 3.92Å; L438-L488 HydrophobicContact CD2-CD2 4.03Å; L438-L488 HydrophobicContact CD2-CG 4.37Å
439	G	89.9	Confident	92.8	Very high	1 Å²	1	21 Å²	21	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.8	170.9	0	0	0	0	0	111.7	Y70	Y70-G439 WeakPolarHBondContact CE1-O 3.19Å; Y70-G439 PolarHBondContact OH-O 3.4Å
440	I	92.4	Very high	92.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-42.9	-179.8	-53.7	-57.4	0	0	0	110.8	S334 F337 D431 E433 L480 L488	S334-I440 WeakPolarHBondContact O-CG2 3.37Å; F337-I440 HydrophobicContact CD2-CD1 4.32Å; F337-I440 HydrophobicContact CD2-CG2 4.15Å; D431-I440 PolarHBondContact O-N 2.89Å; E433-I440 HydrophobicContact CB-CD1 4.08Å; E433-I440 HydrophobicContact CB-CG1 4.18Å; I440-L480 HydrophobicContact CD1-CD2 4.05Å; I440-L480 PolarHBondContact O-N 3.44Å; I440-L488 HydrophobicContact CD1-CD2 3.55Å
441	E	94.6	Very high	92.8	Very high	33 Å²	33	18.8 Å²	18.8	15%	0.154	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142	171.8	-174.3	173.1	154.3	0	0	110.4	W429 M430 D431 Q443 A478 F479	W429-E441 HydrophobicContact CH2-CG 3.93Å; W429-E441 WeakPolarHBondContact CH2-OE1 3.27Å; W429-E441 HydrophobicContact CZ3-CB 4.13Å; W429-E441 HydrophobicContact CZ3-CG 3.91Å; M430-E441 WeakPolarHBondContact CA-O 3.45Å; D431-E441 PolarHBondContact N-O 3.32Å; E441-Q443 PolarHBondContact OE1-NE2 3.02Å; E441-A478 CarbonylContact C-O 3.43Å; E441-A478 WeakPolarHBondContact CA-O 3.33Å; E441-F479 HydrophobicContact CB-CD1 4.5Å; E441-F479 VanDerWaalsContact CD-CD1 3.48Å; E441-F479 HydrophobicContact CG-CD1 3.73Å; E441-F479 HydrophobicContact CG-CE1 3.8Å; E441-F479 HydrophobicContact CG-CG 4.45Å; E441-F479 WeakPolarHBondContact OE1-CE1 3.36Å; E441-F479 WeakPolarHBondContact OE2-CD1 3.28Å; E441-F479 VanDerWaalsContact OE2-CE1 3.27Å; E441-F479 WeakPolarHBondContact OE2-CE1 3.23Å
442	F	94.1	Very high	92.8	Very high	44 Å²	44	18.8 Å²	18.8	19%	0.193	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.6	172.9	-59.4	-102.8	0	0	0	109.8	Y70 M430 S477 A478	Y70-F442 HydrophobicContact CE1-CD2 4.32Å; Y70-F442 AromaticContact CE1-CE2 3.82Å; Y70-F442 HydrophobicContact CE1-CE2 3.82Å; M430-F442 HydrophobicContact CB-CB 4.47Å; M430-F442 HydrophobicContact CB-CD1 3.38Å; M430-F442 HydrophobicContact CB-CE1 3.87Å; M430-F442 HydrophobicContact CB-CG 4.1Å; M430-F442 HydrophobicContact CG-CD1 4.32Å; M430-F442 HydrophobicContact CG-CE1 4.43Å; M430-F442 HydrophobicContact SD-CD1 4.15Å; M430-F442 HydrophobicContact SD-CE1 3.92Å; F442-S477 VanDerWaalsContact O-CA 3.26Å; F442-S477 WeakPolarHBondContact O-CA 3.49Å; F442-A478 HydrophobicContact CB-CB 4.28Å; F442-A478 HydrophobicContact CD2-CB 4.19Å; F442-A478 PolarHBondContact N-O 3.43Å; F442-A478 PolarHBondContact O-N 3.25Å
443	Q	96.1	Very high	92.7	Very high	34 Å²	34	19.1 Å²	19.1	16%	0.159	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	96.6	168.9	-62.5	-165.2	8.7	0	0	110.6	T428 W429 E441 K445 E476	T428-Q443 WeakPolarHBondContact CA-O 3.45Å; W429-Q443 HydrophobicContact CD2-CB 4.23Å; W429-Q443 HydrophobicContact CD2-CG 4.4Å; W429-Q443 HydrophobicContact CH2-CG 3.94Å; W429-Q443 HydrophobicContact CZ2-CB 4.31Å; W429-Q443 HydrophobicContact CZ2-CG 3.69Å; W429-Q443 VanDerWaalsContact CZ2-NE2 3.27Å; W429-Q443 HydrophobicContact CZ3-CG 4.37Å; W429-Q443 PolarHBondContact N-O 2.94Å; W429-Q443 VanDerWaalsContact N-O 3.1Å; W429-Q443 PolarHBondContact O-N 3.43Å; E441-Q443 PolarHBondContact OE1-NE2 3.02Å; Q443-K445 VanDerWaalsContact OE1-CE 3.27Å; Q443-E476 CarbonylContact C-O 3.59Å; Q443-E476 WeakPolarHBondContact CA-O 3.38Å
444	R	95.6	Very high	92.8	Very high	74 Å²	74	21.9 Å²	21.9	28%	0.279	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108.2	178.1	-176.3	173.1	92.1	128.3	4.2	109.8	D319 E476	D319-R444 IonicContact OD2-CZ 2.72Å; D319-R444 IonicContact OD2-NH1 3.8Å; D319-R444 PolarHBondContact OD2-NH1 2.82Å; D319-R444 IonicContact OD2-NH2 2.94Å; D319-R444 PolarHBondContact OD2-NH2 3.35Å; R444-E476 HydrophobicContact CB-CB 4.22Å; R444-E476 IonicContact CZ-OE1 3.92Å; R444-E476 IonicContact CZ-OE2 3.23Å; R444-E476 PolarHBondContact N-O 3.36Å; R444-E476 IonicContact NE-OE1 2.68Å; R444-E476 IonicContact NE-OE2 3.05Å; R444-E476 PolarHBondContact NE-OE2 3.05Å; R444-E476 IonicContact NH2-OE1 2.79Å; R444-E476 PolarHBondContact NH2-OE1 2.9Å; R444-E476 IonicContact NH2-OE2 3.19Å; R444-E476 PolarHBondContact NH2-OE2 2.83Å; R444-E476 PolarHBondContact O-N 3.47Å
445	K	97	Very high	92.8	Very high	11 Å²	11	21.2 Å²	21.2	5%	0.048	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130	-175.5	-64.7	173.1	-166	147.1	0	112	P403 E425 T427 T428 Q443 L474 N475	P403-K445 HydrophobicContact CG-CB 3.93Å; E425-K445 WeakPolarHBondContact O-CD 3.41Å; E425-K445 WeakPolarHBondContact O-CE 3.5Å; E425-K445 PolarHBondContact O-NZ 2.82Å; T427-K445 PolarHBondContact O-NZ 2.81Å; T427-K445 VanDerWaalsContact O-NZ 3.11Å; T428-K445 WeakPolarHBondContact OG1-CA 3.49Å; T428-K445 PolarHBondContact OG1-N 2.83Å; T428-K445 PolarHBondContact OG1-O 2.99Å; Q443-K445 VanDerWaalsContact OE1-CE 3.27Å; K445-L474 VanDerWaalsContact CA-O 3.31Å; K445-L474 WeakPolarHBondContact CA-O 3.25Å; K445-N475 WeakPolarHBondContact CE-OD1 3.24Å; K445-N475 HydrophobicContact CG-CB 4.13Å; K445-N475 WeakPolarHBondContact CG-OD1 3.17Å
446	L	97.1	Very high	93.2	Very high	26 Å²	26	22.2 Å²	22.2	14%	0.136	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.2	-173.9	-172.2	65.5	0	0	0	110.6	L320 L400 W473 L474	L320-L446 HydrophobicContact CD2-CD1 3.93Å; L400-L446 HydrophobicContact CB-CD1 4.12Å; L400-L446 HydrophobicContact CD1-CD1 4.39Å; L400-L446 HydrophobicContact CD1-CD2 4.35Å; L400-L446 HydrophobicContact CD2-CD2 4.45Å; L400-L446 HydrophobicContact CD2-CG 4.49Å; L446-W473 CarbonylContact O-C 3.14Å; L446-W473 VanDerWaalsContact O-CA 3.23Å; L446-W473 WeakPolarHBondContact O-CA 3.49Å; L446-W473 WeakPolarHBondContact O-CB 3.19Å; L446-L474 HydrophobicContact CB-CD1 4.15Å; L446-L474 HydrophobicContact CB-CG 4.21Å; L446-L474 PolarHBondContact N-O 3.05Å; L446-L474 PolarHBondContact O-N 3.34Å
447	Q	98.3	Very high	93.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.2	171.9	-179.7	173.9	-70.1	0	0	110.3	F79 L400 S401 N449 L472 W473	F79-Q447 HydrophobicContact CE2-CG 4.37Å; L400-Q447 WeakPolarHBondContact CA-O 3.11Å; S401-Q447 PolarHBondContact N-O 2.85Å; S401-Q447 VanDerWaalsContact N-O 3.11Å; S401-Q447 PolarHBondContact O-N 2.88Å; S401-Q447 PolarHBondContact OG-NE2 3.4Å; Q447-N449 PolarHBondContact NE2-OD1 2.81Å; Q447-N449 PolarHBondContact O-ND2 3.04Å; Q447-L472 WeakPolarHBondContact CA-O 3.11Å; Q447-L472 WeakPolarHBondContact CG-O 3.42Å; Q447-W473 HydrophobicContact CB-CB 3.86Å; Q447-W473 HydrophobicContact CG-CB 4.14Å
448	I	98	Very high	94	Very high	24 Å²	24	22.4 Å²	22.4	12%	0.123	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126	174.7	-52.9	-175	0	0	0	108.4	F224 I398 L400 V471 L472	F224-I448 HydrophobicContact CB-CD1 4.47Å; F224-I448 HydrophobicContact CD1-CD1 4.1Å; F224-I448 HydrophobicContact CD1-CG2 4.07Å; F224-I448 HydrophobicContact CE1-CG2 3.91Å; I398-I448 HydrophobicContact CG2-CG2 3.94Å; L400-I448 HydrophobicContact CD2-CB 4.32Å; L400-I448 HydrophobicContact CD2-CG1 3.95Å; L400-I448 HydrophobicContact CD2-CG2 4.39Å; I448-V471 PolarHBondContact O-N 3Å; I448-L472 HydrophobicContact CB-CD1 4.24Å; I448-L472 HydrophobicContact CB-CG 4.27Å; I448-L472 HydrophobicContact CD1-CD1 3.88Å; I448-L472 HydrophobicContact CD1-CG 4.41Å; I448-L472 HydrophobicContact CG1-CD1 3.93Å; I448-L472 HydrophobicContact CG1-CG 4.46Å; I448-L472 PolarHBondContact N-O 2.89Å; I448-L472 PolarHBondContact O-N 3.36Å
449	N	97.9	Very high	94.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.5	-179.7	-42.5	-91.6	0	0	0	110.5	I398 V399 S401 F405 Q447 I468 M469 P470	I398-N449 WeakPolarHBondContact CA-O 3.35Å; V399-N449 HydrophobicContact CB-CB 4.33Å; V399-N449 PolarHBondContact N-O 3.21Å; V399-N449 WeakPolarHBondContact O-CA 3.43Å; V399-N449 VanDerWaalsContact O-CB 3.23Å; V399-N449 WeakPolarHBondContact O-CB 3.44Å; V399-N449 PolarHBondContact O-N 3.2Å; V399-N449 PolarHBondContact O-ND2 3.26Å; S401-N449 PolarHBondContact OG-ND2 2.96Å; S401-N449 VanDerWaalsContact OG-ND2 3.07Å; F405-N449 WeakPolarHBondContact CE1-OD1 3.44Å; F405-N449 WeakPolarHBondContact CZ-OD1 3.37Å; Q447-N449 PolarHBondContact NE2-OD1 2.81Å; Q447-N449 PolarHBondContact O-ND2 3.04Å; N449-I468 HydrophobicContact CB-CG2 3.49Å; N449-I468 VanDerWaalsContact CB-CG2 3.49Å; N449-M469 CarbonylContact C-O 3.47Å; N449-M469 WeakPolarHBondContact CA-O 3.35Å; N449-M469 WeakPolarHBondContact CB-O 3.38Å; N449-P470 VanDerWaalsContact OD1-CA 3.32Å; N449-P470 WeakPolarHBondContact OD1-CA 3.35Å
450	V	96.9	Very high	94	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.4	175.1	175.3	0	0	0	0	109.2	P149 V151 W154 P397 I398 M452 M469 V471	P149-V450 HydrophobicContact CB-CB 4.16Å; P149-V450 HydrophobicContact CB-CG1 4.14Å; P149-V450 HydrophobicContact CB-CG2 4.31Å; P149-V450 HydrophobicContact CG-CB 4.27Å; V151-V450 HydrophobicContact CG2-CG2 3.83Å; W154-V450 HydrophobicContact CB-CG1 3.94Å; W154-V450 HydrophobicContact CG-CG1 3.88Å; P397-V450 HydrophobicContact CG-CG1 4.42Å; P397-V450 WeakPolarHBondContact O-CA 3.31Å; I398-V450 HydrophobicContact CD1-CG2 4.16Å; V450-M452 HydrophobicContact CG1-CG 4.19Å; V450-M452 PolarHBondContact O-N 3.12Å; V450-M452 VanDerWaalsContact O-N 3.14Å; V450-M469 PolarHBondContact N-O 2.92Å; V450-M469 PolarHBondContact O-N 2.81Å; V450-V471 HydrophobicContact CB-CG2 4.33Å; V450-V471 HydrophobicContact CG2-CG2 3.69Å
451	A	94.6	Very high	94.1	Very high	11 Å²	11	22.8 Å²	22.8	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	99.3	173.2	0	0	0	0	0	109.9	V365 P397 V399 I468	V365-A451 HydrophobicContact CG2-CB 4Å; P397-A451 HydrophobicContact CB-CB 4.29Å; P397-A451 PolarHBondContact O-N 3.29Å; V399-A451 HydrophobicContact CG2-CB 4.07Å; A451-I468 HydrophobicContact CB-CG1 4.24Å
452	M	94.9	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.8	177.1	-56.9	-163.2	-50.4	0	0	110.1	P149 W154 F185 V365 V450 M464 S466 V467 M469	P149-M452 HydrophobicContact CB-SD 4.02Å; P149-M452 HydrophobicContact CG-SD 3.98Å; W154-M452 HydrophobicContact CD2-CB 4.26Å; W154-M452 HydrophobicContact CD2-CG 4.07Å; W154-M452 HydrophobicContact CE3-CB 4.32Å; W154-M452 HydrophobicContact CH2-CB 3.64Å; W154-M452 HydrophobicContact CH2-CG 4.23Å; W154-M452 HydrophobicContact CZ2-CB 3.55Å; W154-M452 HydrophobicContact CZ2-CG 3.63Å; W154-M452 HydrophobicContact CZ2-SD 3.58Å; W154-M452 VanDerWaalsContact CZ2-SD 3.58Å; W154-M452 HydrophobicContact CZ3-CB 4.05Å; F185-M452 HydrophobicContact CE1-CE 4.02Å; F185-M452 HydrophobicContact CE1-SD 3.66Å; F185-M452 HydrophobicContact CZ-CE 3.8Å; F185-M452 HydrophobicContact CZ-SD 3.81Å; V365-M452 WeakPolarHBondContact CG2-O 3.37Å; V450-M452 HydrophobicContact CG1-CG 4.19Å; V450-M452 PolarHBondContact O-N 3.12Å; V450-M452 VanDerWaalsContact O-N 3.14Å; M452-M464 HydrophobicContact CB-CE 3.89Å; M452-M464 HydrophobicContact CE-CE 3.52Å; M452-M464 HydrophobicContact SD-CE 4.17Å; M452-S466 CarbonylContact O-C 3.5Å; M452-S466 WeakPolarHBondContact O-CA 3.33Å; M452-V467 WeakPolarHBondContact CA-O 3.35Å; M452-V467 HydrophobicContact CB-CG1 4.4Å; M452-V467 WeakPolarHBondContact CB-O 3.44Å; M452-V467 HydrophobicContact CE-CG1 3.4Å; M452-V467 VanDerWaalsContact CE-CG1 3.4Å; M452-V467 PolarHBondContact N-O 3.12Å; M452-V467 PolarHBondContact O-N 3.5Å; M452-M469 HydrophobicContact CE-CB 3.99Å; M452-M469 HydrophobicContact CE-CE 3.29Å; M452-M469 HydrophobicContact CE-CG 4.38Å; M452-M469 HydrophobicContact CE-SD 4.5Å; M452-M469 HydrophobicContact CG-CB 4.25Å; M452-M469 HydrophobicContact SD-CB 4.14Å; M452-M469 HydrophobicContact SD-CE 4.28Å
453	V	92	Very high	93.9	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.048	15%	0.151	C	C	.	.			trans	-125.8	129.2	-166.8	-179.9	0	0	0	0	111.2	W154 D364 V365 D455	W154-V453 WeakPolarHBondContact CZ3-O 3.48Å; D364-V453 HydrophobicContact CB-CB 4.36Å; D364-V453 HydrophobicContact CB-CG1 3.74Å; D364-V453 HydrophobicContact CB-CG2 3.6Å; V365-V453 HydrophobicContact CG2-CG2 3.75Å; V453-D455 PolarHBondContact O-N 3.1Å
454	Q	92.3	Very high	93.7	Very high	62 Å²	62	29.6 Å²	29.6	29%	0.29	14%	0.144	S	C	.	.			trans	-65.1	132.2	169.6	-165.2	-79.3	-9.7	0	0	110.7	R161 K462 M464 S466	R161-Q454 PolarHBondContact NH1-O 2.75Å; Q454-K462 PolarHBondContact NE2-O 2.96Å; Q454-M464 WeakPolarHBondContact CG-O 3.26Å; Q454-S466 PolarHBondContact N-OG 2.82Å
455	D	91.9	Very high	93.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	14%	0.141	C	C	.	.			trans	-135.4	115.6	171.3	-162.1	-60.7	0	0	0	111.3	L157 R161 K170 V453 D457 F458 V461 K462	L157-D455 HydrophobicContact CD1-CB 4.07Å; L157-D455 HydrophobicContact CD2-CB 4.39Å; R161-D455 WeakPolarHBondContact CG-OD2 3.25Å; R161-D455 IonicContact CZ-OD2 3.09Å; R161-D455 IonicContact NH1-OD2 3.13Å; R161-D455 PolarHBondContact NH1-OD2 2.9Å; K170-D455 IonicContact NZ-OD1 2.72Å; K170-D455 PolarHBondContact NZ-OD1 3.46Å; K170-D455 IonicContact NZ-OD2 3.95Å; K170-D455 PolarHBondContact NZ-OD2 2.84Å; V453-D455 PolarHBondContact O-N 3.1Å; D455-D457 PolarHBondContact O-N 3.22Å; D455-D457 VanDerWaalsContact O-N 3.14Å; D455-D457 WeakPolarHBondContact OD1-CB 3.34Å; D455-D457 PolarHBondContact OD1-N 2.88Å; D455-F458 HydrophobicContact CB-CB 3.98Å; D455-F458 PolarHBondContact O-N 2.71Å; D455-V461 HydrophobicContact CB-CG2 4.4Å; D455-K462 WeakPolarHBondContact O-CA 3.48Å
456	S	92	Very high	93.2	Very high	59 Å²	59	29.4 Å²	29.4	41%	0.413	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.1	-174.9	79.8	0	0	0	0	114.9	K462	S456-K462 WeakPolarHBondContact O-CD 3.24Å; S456-K462 WeakPolarHBondContact O-CE 3.35Å; S456-K462 PolarHBondContact O-NZ 3.41Å
457	D	91.9	Very high	93.1	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5	173.3	-69.9	-45	0	0	0	113.5	P167 K170 K171 D455	P167-D457 WeakPolarHBondContact CA-OD2 3.4Å; P167-D457 VanDerWaalsContact CB-OD2 3.25Å; P167-D457 WeakPolarHBondContact CB-OD2 3.46Å; P167-D457 WeakPolarHBondContact CG-OD2 3.25Å; K170-D457 HydrophobicContact CB-CB 3.83Å; K170-D457 HydrophobicContact CD-CB 3.79Å; K170-D457 HydrophobicContact CG-CB 4.49Å; K171-D457 WeakPolarHBondContact CA-O 3.41Å; K171-D457 HydrophobicContact CG-CB 4.36Å; K171-D457 WeakPolarHBondContact CG-O 3.4Å; K171-D457 PolarHBondContact N-O 2.97Å; K171-D457 IonicContact NZ-OD1 2.59Å; K171-D457 PolarHBondContact NZ-OD1 2.95Å; D455-D457 PolarHBondContact O-N 3.22Å; D455-D457 VanDerWaalsContact O-N 3.14Å; D455-D457 WeakPolarHBondContact OD1-CB 3.34Å; D455-D457 PolarHBondContact OD1-N 2.88Å
458	F	91.4	Very high	92.9	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.14	C	C	.	.			trans	-108.1	100.2	177.7	-141.5	-88.1	0	0	0	109.3	F153 L157 L160 K170 I173 S174 L177 D455 T460 V461 K462	F153-F458 HydrophobicContact CE1-CE1 4.27Å; F153-F458 AromaticContact CE2-CE1 3.72Å; F153-F458 HydrophobicContact CE2-CE1 3.72Å; F153-F458 AromaticContact CZ-CD1 3.83Å; F153-F458 HydrophobicContact CZ-CD1 3.83Å; F153-F458 AromaticContact CZ-CE1 3.44Å; F153-F458 HydrophobicContact CZ-CE1 3.44Å; F153-F458 VanDerWaalsContact CZ-CE1 3.44Å; F153-F458 HydrophobicContact CZ-CZ 4.5Å; L157-F458 HydrophobicContact CD1-CB 4.15Å; L157-F458 HydrophobicContact CD1-CD2 3.7Å; L157-F458 HydrophobicContact CD1-CE2 4.26Å; L157-F458 HydrophobicContact CD1-CG 3.93Å; L160-F458 HydrophobicContact CD1-CE2 3.98Å; K170-F458 HydrophobicContact CB-CD2 4.44Å; I173-F458 HydrophobicContact CB-CE2 4.47Å; I173-F458 HydrophobicContact CG2-CE2 4.17Å; I173-F458 HydrophobicContact CG2-CZ 4.19Å; S174-F458 WeakPolarHBondContact OG-CD1 3.24Å; S174-F458 WeakPolarHBondContact OG-CE1 3.31Å; L177-F458 HydrophobicContact CD1-CE1 4.15Å; L177-F458 HydrophobicContact CD1-CZ 3.83Å; D455-F458 HydrophobicContact CB-CB 3.98Å; D455-F458 PolarHBondContact O-N 2.71Å; F458-T460 PolarHBondContact O-N 2.79Å; F458-T460 VanDerWaalsContact O-N 3.11Å; F458-V461 HydrophobicContact CB-CG2 3.87Å; F458-V461 HydrophobicContact CD1-CG2 4.23Å; F458-V461 HydrophobicContact CG-CG2 4.42Å; F458-V461 PolarHBondContact O-N 3.23Å; F458-V461 VanDerWaalsContact O-N 3.08Å; F458-K462 WeakPolarHBondContact O-CB 3.47Å; F458-K462 PolarHBondContact O-N 3.37Å
459	S	87.8	Confident	92.9	Very high	39 Å²	39	27.1 Å²	27.1	27%	0.273	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.7	-166.1	52.7	0	0	0	0	113.8	S174	S174-S459 PolarHBondContact OG-N 3.02Å; S174-S459 PolarHBondContact OG-OG 2.78Å
460	T	88.2	Confident	92.9	Very high	22 Å²	22	27.1 Å²	27.1	14%	0.135	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-45	177.8	-39.6	0	0	0	0	112.4	M88 F153 S174 F458	M88-T460 HydrophobicContact CE-CG2 3.68Å; M88-T460 WeakPolarHBondContact CE-O 3.44Å; F153-T460 HydrophobicContact CE2-CG2 4.36Å; F153-T460 HydrophobicContact CZ-CG2 4.15Å; S174-T460 PolarHBondContact OG-OG1 3.15Å; F458-T460 PolarHBondContact O-N 2.79Å; F458-T460 VanDerWaalsContact O-N 3.11Å
461	V	93.6	Very high	93	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	7.8	-174.3	-59.7	0	0	0	0	113.5	M88 F153 W154 L157 A184 D455 F458 R463 M464	M88-V461 HydrophobicContact CE-CG1 4.19Å; F153-V461 HydrophobicContact CE1-CG1 3.71Å; F153-V461 HydrophobicContact CZ-CG1 3.95Å; W154-V461 HydrophobicContact CH2-CB 4.06Å; W154-V461 HydrophobicContact CH2-CG1 3.5Å; W154-V461 HydrophobicContact CZ2-CG1 3.98Å; W154-V461 HydrophobicContact CZ3-CG1 4.18Å; L157-V461 HydrophobicContact CD2-CG2 3.66Å; A184-V461 HydrophobicContact CB-CG1 3.74Å; D455-V461 HydrophobicContact CB-CG2 4.4Å; F458-V461 HydrophobicContact CB-CG2 3.87Å; F458-V461 HydrophobicContact CD1-CG2 4.23Å; F458-V461 HydrophobicContact CG-CG2 4.42Å; F458-V461 PolarHBondContact O-N 3.23Å; F458-V461 VanDerWaalsContact O-N 3.08Å; V461-R463 PolarHBondContact O-N 3Å; V461-M464 HydrophobicContact CB-CG 4.09Å; V461-M464 HydrophobicContact CB-SD 3.7Å; V461-M464 HydrophobicContact CG1-SD 3.67Å; V461-M464 WeakPolarHBondContact O-CG 3.29Å
462	K	92.4	Very high	93.2	Very high	100 Å²	100	26.7 Å²	26.7	44%	0.435	13%	0.13	S	C	.	.	S	Bend	trans	-60	-28.7	179.4	174	165.6	-168.7	141.1	0	113.7	Q454 D455 S456 F458	Q454-K462 PolarHBondContact NE2-O 2.96Å; D455-K462 WeakPolarHBondContact O-CA 3.48Å; S456-K462 WeakPolarHBondContact O-CD 3.24Å; S456-K462 WeakPolarHBondContact O-CE 3.35Å; S456-K462 PolarHBondContact O-NZ 3.41Å; F458-K462 WeakPolarHBondContact O-CB 3.47Å; F458-K462 PolarHBondContact O-N 3.37Å
463	R	91.5	Very high	93.4	Very high	155 Å²	155	27 Å²	27	59%	0.585	13%	0.132	S	C	*	.	S	Bend	trans	-96.9	-30.5	-173.6	-80.6	-172.6	-175.6	-176.2	3.7	114.5	M88 Q91 V461	M88-R463 WeakPolarHBondContact O-CB 3.49Å; Q91-R463 WeakPolarHBondContact CG-O 3.44Å; Q91-R463 PolarHBondContact NE2-O 3.32Å; V461-R463 PolarHBondContact O-N 3Å
464	M	92.7	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-66.2	168.2	178.2	67.7	-173.4	-75.9	0	0	112.8	I87 M88 W154 M452 Q454 V461	I87-M464 HydrophobicContact CG2-CB 4.33Å; I87-M464 HydrophobicContact CG2-CE 4.33Å; I87-M464 WeakPolarHBondContact O-CA 3.24Å; I87-M464 WeakPolarHBondContact O-CB 3.49Å; M88-M464 HydrophobicContact SD-CB 4.41Å; M88-M464 HydrophobicContact SD-CG 4.49Å; M88-M464 HydrophobicContact SD-SD 3.6Å; W154-M464 HydrophobicContact CH2-CE 3.82Å; W154-M464 HydrophobicContact CH2-SD 3.66Å; W154-M464 HydrophobicContact CZ2-CE 3.91Å; W154-M464 HydrophobicContact CZ2-SD 3.96Å; M452-M464 HydrophobicContact CB-CE 3.89Å; M452-M464 HydrophobicContact CE-CE 3.52Å; M452-M464 HydrophobicContact SD-CE 4.17Å; Q454-M464 WeakPolarHBondContact CG-O 3.26Å; V461-M464 HydrophobicContact CB-CG 4.09Å; V461-M464 HydrophobicContact CB-SD 3.7Å; V461-M464 HydrophobicContact CG1-SD 3.67Å; V461-M464 WeakPolarHBondContact O-CG 3.29Å
465	R	90.7	Very high	93.9	Very high	59 Å²	59	25 Å²	25	22%	0.223	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-91.2	162.8	169.9	74.1	-173.6	-166.9	177.7	9.4	111.5	S415	S415-R465 PolarHBondContact O-NH2 2.96Å
466	S	92	Very high	94.1	Very high	22 Å²	22	26 Å²	26	15%	0.154	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-77.8	137.6	173.3	-70.9	0	0	0	0	110.4	E369 M452 Q454	E369-S466 PolarHBondContact OE1-N 3.41Å; E369-S466 VanDerWaalsContact OE1-N 3.14Å; M452-S466 CarbonylContact O-C 3.5Å; M452-S466 WeakPolarHBondContact O-CA 3.33Å; Q454-S466 PolarHBondContact N-OG 2.82Å
467	V	93.8	Very high	94.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	139.8	-179.2	64.5	0	0	0	0	111.9	P94 V416 M452 M469	P94-V467 HydrophobicContact CG-CG1 4.3Å; V416-V467 HydrophobicContact CG1-CG2 4.12Å; M452-V467 WeakPolarHBondContact CA-O 3.35Å; M452-V467 HydrophobicContact CB-CG1 4.4Å; M452-V467 WeakPolarHBondContact CB-O 3.44Å; M452-V467 HydrophobicContact CE-CG1 3.4Å; M452-V467 VanDerWaalsContact CE-CG1 3.4Å; M452-V467 PolarHBondContact N-O 3.12Å; M452-V467 PolarHBondContact O-N 3.5Å; V467-M469 PolarHBondContact O-N 2.99Å
468	I	95.3	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.1	166.8	-61.7	176	0	0	0	107.7	V365 Y367 L382 L386 V399 F405 N449 A451 P470	V365-I468 HydrophobicContact CB-CG1 4.29Å; V365-I468 HydrophobicContact CG1-CG1 4.02Å; Y367-I468 HydrophobicContact CE2-CB 4.47Å; Y367-I468 HydrophobicContact CE2-CD1 3.82Å; Y367-I468 HydrophobicContact CE2-CG1 4.01Å; Y367-I468 PolarHBondContact OH-N 3.35Å; L382-I468 HydrophobicContact CD1-CD1 4.23Å; L382-I468 HydrophobicContact CD2-CD1 3.69Å; L386-I468 HydrophobicContact CD1-CD1 3.72Å; V399-I468 HydrophobicContact CB-CG2 4.06Å; V399-I468 HydrophobicContact CG1-CD1 4.31Å; V399-I468 HydrophobicContact CG1-CG2 4.21Å; V399-I468 HydrophobicContact CG2-CD1 4.26Å; V399-I468 HydrophobicContact CG2-CG2 4.46Å; F405-I468 HydrophobicContact CE1-CG2 4.35Å; F405-I468 HydrophobicContact CZ-CG2 4.06Å; N449-I468 HydrophobicContact CB-CG2 3.49Å; N449-I468 VanDerWaalsContact CB-CG2 3.49Å; A451-I468 HydrophobicContact CB-CG1 4.24Å; I468-P470 WeakPolarHBondContact O-CD 3.43Å
469	M	97.3	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.8	-175.8	-171.6	72.6	87.8	0	0	110.8	I81 I87 P94 L96 P149 F185 V416 N449 V450 M452 V467	I81-M469 HydrophobicContact CD1-CE 3.71Å; I81-M469 HydrophobicContact CD1-CG 3.99Å; I81-M469 HydrophobicContact CD1-SD 4.06Å; I81-M469 HydrophobicContact CG1-CE 4.36Å; I81-M469 HydrophobicContact CG1-SD 4.39Å; I87-M469 HydrophobicContact CD1-CE 4.14Å; P94-M469 HydrophobicContact CB-CE 3.48Å; P94-M469 VanDerWaalsContact CB-CE 3.48Å; P94-M469 HydrophobicContact CB-SD 3.76Å; P94-M469 HydrophobicContact CG-CE 3.51Å; P94-M469 HydrophobicContact CG-SD 4.07Å; L96-M469 HydrophobicContact CD2-SD 3.88Å; P149-M469 HydrophobicContact CG-CB 3.98Å; P149-M469 HydrophobicContact CG-CG 3.73Å; F185-M469 HydrophobicContact CE1-CE 3.95Å; F185-M469 HydrophobicContact CZ-CE 4.21Å; V416-M469 HydrophobicContact CG1-SD 4.15Å; N449-M469 CarbonylContact C-O 3.47Å; N449-M469 WeakPolarHBondContact CA-O 3.35Å; N449-M469 WeakPolarHBondContact CB-O 3.38Å; V450-M469 PolarHBondContact N-O 2.92Å; V450-M469 PolarHBondContact O-N 2.81Å; M452-M469 HydrophobicContact CE-CB 3.99Å; M452-M469 HydrophobicContact CE-CE 3.29Å; M452-M469 HydrophobicContact CE-CG 4.38Å; M452-M469 HydrophobicContact CE-SD 4.5Å; M452-M469 HydrophobicContact CG-CB 4.25Å; M452-M469 HydrophobicContact SD-CB 4.14Å; M452-M469 HydrophobicContact SD-CE 4.28Å; V467-M469 PolarHBondContact O-N 2.99Å
470	P	98.4	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.7	165.4	-21.6	32.8	0	0	0	111.3	F79 L96 F405 V416 L419 N449 I468	F79-P470 HydrophobicContact CB-CB 4.43Å; F79-P470 HydrophobicContact CD2-CB 3.33Å; F79-P470 HydrophobicContact CE2-CB 3.7Å; F79-P470 HydrophobicContact CG-CB 3.98Å; L96-P470 HydrophobicContact CD1-CB 4.08Å; L96-P470 HydrophobicContact CD1-CG 3.86Å; F405-P470 HydrophobicContact CD2-CG 4.45Å; F405-P470 HydrophobicContact CE2-CG 3.65Å; F405-P470 HydrophobicContact CZ-CG 3.73Å; V416-P470 HydrophobicContact CG2-CG 4.23Å; L419-P470 HydrophobicContact CD1-CG 4.1Å; L419-P470 HydrophobicContact CD2-CG 4.32Å; N449-P470 VanDerWaalsContact OD1-CA 3.32Å; N449-P470 WeakPolarHBondContact OD1-CA 3.35Å; I468-P470 WeakPolarHBondContact O-CD 3.43Å
471	V	98.5	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-51.6	177.4	-176.4	0	0	0	0	111.2	F79 V148 P149 F224 I448 V450	F79-V471 PolarHBondContact N-O 2.84Å; V148-V471 HydrophobicContact CB-CG1 3.89Å; V148-V471 HydrophobicContact CG1-CG1 3.81Å; P149-V471 HydrophobicContact CG-CG2 4.03Å; F224-V471 HydrophobicContact CE2-CG1 3.77Å; F224-V471 HydrophobicContact CZ-CB 4.36Å; F224-V471 HydrophobicContact CZ-CG1 3.67Å; I448-V471 PolarHBondContact O-N 3Å; V450-V471 HydrophobicContact CB-CG2 4.33Å; V450-V471 HydrophobicContact CG2-CG2 3.69Å
472	L	98.5	Very high	94.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.6	175.6	66.6	84.4	0	0	0	110.4	V76 W77 F78 L194 F224 Q447 I448 L474	V76-L472 HydrophobicContact CG1-CB 4.27Å; V76-L472 HydrophobicContact CG1-CD1 4.2Å; V76-L472 HydrophobicContact CG1-CD2 4.47Å; W77-L472 CarbonylContact O-C 3.57Å; W77-L472 WeakPolarHBondContact O-CA 3.27Å; W77-L472 VanDerWaalsContact O-CB 3.3Å; W77-L472 WeakPolarHBondContact O-CB 3.43Å; F78-L472 HydrophobicContact CD1-CB 3.94Å; F78-L472 HydrophobicContact CD1-CD2 4.42Å; F78-L472 HydrophobicContact CD2-CB 4.3Å; F78-L472 HydrophobicContact CE1-CB 4.03Å; F78-L472 HydrophobicContact CE1-CD2 3.66Å; F78-L472 HydrophobicContact CE1-CG 4.48Å; F78-L472 HydrophobicContact CE2-CB 4.38Å; F78-L472 HydrophobicContact CE2-CD2 4.14Å; F78-L472 HydrophobicContact CG-CB 4.1Å; F78-L472 HydrophobicContact CZ-CB 4.26Å; F78-L472 HydrophobicContact CZ-CD2 3.5Å; L194-L472 HydrophobicContact CD2-CD2 4.14Å; F224-L472 HydrophobicContact CB-CD2 4.04Å; F224-L472 HydrophobicContact CD2-CD2 3.56Å; F224-L472 HydrophobicContact CE2-CD2 4.16Å; F224-L472 HydrophobicContact CG-CD2 3.78Å; Q447-L472 WeakPolarHBondContact CA-O 3.11Å; Q447-L472 WeakPolarHBondContact CG-O 3.42Å; I448-L472 HydrophobicContact CB-CD1 4.24Å; I448-L472 HydrophobicContact CB-CG 4.27Å; I448-L472 HydrophobicContact CD1-CD1 3.88Å; I448-L472 HydrophobicContact CD1-CG 4.41Å; I448-L472 HydrophobicContact CG1-CD1 3.93Å; I448-L472 HydrophobicContact CG1-CG 4.46Å; I448-L472 PolarHBondContact N-O 2.89Å; I448-L472 PolarHBondContact O-N 3.36Å; L472-L474 HydrophobicContact CD1-CD2 4.26Å
473	W	98.5	Very high	94.6	Very high	8 Å²	8	31.7 Å²	31.7	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.8	160	71.5	-86.6	0	0	0	110.9	V76 W77 F79 E98 P403 H404 L446 Q447 N475	V76-W473 WeakPolarHBondContact CA-O 3.21Å; W77-W473 HydrophobicContact CB-CD2 4.34Å; W77-W473 HydrophobicContact CB-CG 4.33Å; W77-W473 HydrophobicContact CB-CZ2 4.41Å; W77-W473 HydrophobicContact CD2-CD2 4.29Å; W77-W473 AromaticContact CD2-CE2 3.74Å; W77-W473 AromaticContact CD2-CH2 3.83Å; W77-W473 HydrophobicContact CD2-CH2 3.83Å; W77-W473 AromaticContact CD2-CZ2 3.5Å; W77-W473 HydrophobicContact CD2-CZ2 3.5Å; W77-W473 VanDerWaalsContact CD2-CZ2 3.5Å; W77-W473 HydrophobicContact CD2-CZ3 4.35Å; W77-W473 AromaticContact CE2-CH2 3.88Å; W77-W473 AromaticContact CE2-CZ2 3.68Å; W77-W473 AromaticContact CE3-CD2 3.94Å; W77-W473 HydrophobicContact CE3-CD2 3.94Å; W77-W473 AromaticContact CE3-CE2 3.86Å; W77-W473 AromaticContact CE3-CE3 3.85Å; W77-W473 HydrophobicContact CE3-CE3 3.85Å; W77-W473 AromaticContact CE3-CH2 3.65Å; W77-W473 HydrophobicContact CE3-CH2 3.65Å; W77-W473 AromaticContact CE3-CZ2 3.73Å; W77-W473 HydrophobicContact CE3-CZ2 3.73Å; W77-W473 AromaticContact CE3-CZ3 3.72Å; W77-W473 HydrophobicContact CE3-CZ3 3.72Å; W77-W473 AromaticContact CG-CE2 3.77Å; W77-W473 AromaticContact CG-CZ2 3.84Å; W77-W473 HydrophobicContact CG-CZ2 3.84Å; W77-W473 AromaticContact CG-NE1 3.82Å; W77-W473 AromaticContact CH2-CH2 3.69Å; W77-W473 HydrophobicContact CH2-CH2 3.69Å; W77-W473 HydrophobicContact CH2-CZ2 4.33Å; W77-W473 HydrophobicContact CH2-CZ3 4.03Å; W77-W473 AromaticContact CZ2-CH2 3.82Å; W77-W473 HydrophobicContact CZ2-CH2 3.82Å; W77-W473 HydrophobicContact CZ2-CZ2 4.11Å; W77-W473 HydrophobicContact CZ3-CE3 4.07Å; W77-W473 AromaticContact CZ3-CH2 3.59Å; W77-W473 HydrophobicContact CZ3-CH2 3.59Å; W77-W473 HydrophobicContact CZ3-CZ2 4.15Å; W77-W473 AromaticContact CZ3-CZ3 3.55Å; W77-W473 HydrophobicContact CZ3-CZ3 3.55Å; W77-W473 PolarHBondContact N-O 2.91Å; W77-W473 PolarHBondContact O-N 3.48Å; F79-W473 AromaticContact CE2-CD1 3.67Å; F79-W473 AromaticContact CZ-CD1 3.48Å; F79-W473 VanDerWaalsContact CZ-CD1 3.48Å; F79-W473 AromaticContact CZ-NE1 3.99Å; E98-W473 PolarHBondContact OE2-NE1 2.95Å; P403-W473 HydrophobicContact CB-CB 4.05Å; P403-W473 HydrophobicContact CB-CD2 3.71Å; P403-W473 HydrophobicContact CB-CE3 3.81Å; P403-W473 HydrophobicContact CB-CG 3.85Å; P403-W473 HydrophobicContact CB-CZ3 4.45Å; P403-W473 HydrophobicContact CG-CB 4.2Å; P403-W473 HydrophobicContact CG-CD2 4.01Å; P403-W473 HydrophobicContact CG-CE3 3.61Å; P403-W473 HydrophobicContact CG-CG 4.29Å; P403-W473 HydrophobicContact CG-CZ3 4.25Å; H404-W473 AromaticContact CD2-NE1 3.97Å; H404-W473 AromaticContact NE2-CE2 3.84Å; H404-W473 AromaticContact NE2-NE1 3.29Å; H404-W473 PolarHBondContact NE2-NE1 2.95Å; L446-W473 CarbonylContact O-C 3.14Å; L446-W473 VanDerWaalsContact O-CA 3.23Å; L446-W473 WeakPolarHBondContact O-CA 3.49Å; L446-W473 WeakPolarHBondContact O-CB 3.19Å; Q447-W473 HydrophobicContact CB-CB 3.86Å; Q447-W473 HydrophobicContact CG-CB 4.14Å; W473-N475 HydrophobicContact CZ3-CB 4.13Å
474	L	97.6	Very high	94.3	Very high	11 Å²	11	25 Å²	25	6%	0.058	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.4	-177	62.7	92.8	0	0	0	110.7	Q75 V76 K445 L446 L472 E476	Q75-L474 CarbonylContact O-C 3.53Å; Q75-L474 VanDerWaalsContact O-CA 3.24Å; Q75-L474 WeakPolarHBondContact O-CA 3.32Å; V76-L474 HydrophobicContact CG2-CB 4.27Å; K445-L474 VanDerWaalsContact CA-O 3.31Å; K445-L474 WeakPolarHBondContact CA-O 3.25Å; L446-L474 HydrophobicContact CB-CD1 4.15Å; L446-L474 HydrophobicContact CB-CG 4.21Å; L446-L474 PolarHBondContact N-O 3.05Å; L446-L474 PolarHBondContact O-N 3.34Å; L472-L474 HydrophobicContact CD1-CD2 4.26Å; L474-E476 HydrophobicContact CD1-CG 4.07Å
475	N	98	Very high	94.2	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	102.2	168.7	-176.3	35.7	0	0	0	107.5	Q75 W77 K445 W473	Q75-N475 PolarHBondContact N-O 2.74Å; Q75-N475 PolarHBondContact O-N 3.39Å; W77-N475 HydrophobicContact CH2-CB 4.23Å; W77-N475 HydrophobicContact CZ3-CB 3.82Å; K445-N475 WeakPolarHBondContact CE-OD1 3.24Å; K445-N475 HydrophobicContact CG-CB 4.13Å; K445-N475 WeakPolarHBondContact CG-OD1 3.17Å; W473-N475 HydrophobicContact CZ3-CB 4.13Å
476	E	96.3	Very high	94	Very high	26 Å²	26	29.9 Å²	29.9	12%	0.121	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.9	164.5	-76.2	169.3	-153.3	0	0	108.2	M74 Q443 R444 L474	M74-E476 HydrophobicContact CB-CG 4.25Å; M74-E476 HydrophobicContact CG-CG 4.04Å; Q443-E476 CarbonylContact C-O 3.59Å; Q443-E476 WeakPolarHBondContact CA-O 3.38Å; R444-E476 HydrophobicContact CB-CB 4.22Å; R444-E476 IonicContact CZ-OE1 3.92Å; R444-E476 IonicContact CZ-OE2 3.23Å; R444-E476 PolarHBondContact N-O 3.36Å; R444-E476 IonicContact NE-OE1 2.68Å; R444-E476 IonicContact NE-OE2 3.05Å; R444-E476 PolarHBondContact NE-OE2 3.05Å; R444-E476 IonicContact NH2-OE1 2.79Å; R444-E476 PolarHBondContact NH2-OE1 2.9Å; R444-E476 IonicContact NH2-OE2 3.19Å; R444-E476 PolarHBondContact NH2-OE2 2.83Å; R444-E476 PolarHBondContact O-N 3.47Å; L474-E476 HydrophobicContact CD1-CG 4.07Å
477	S	96.5	Very high	93.6	Very high	12 Å²	12	31.8 Å²	31.8	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.6	-177.4	56	0	0	0	0	110.4	M72 S73 F442	M72-S477 CarbonylContact C-O 3.42Å; M72-S477 WeakPolarHBondContact CA-O 3.27Å; S73-S477 PolarHBondContact N-O 3.43Å; S73-S477 PolarHBondContact O-N 2.91Å; S73-S477 PolarHBondContact O-OG 3.21Å; F442-S477 VanDerWaalsContact O-CA 3.26Å; F442-S477 WeakPolarHBondContact O-CA 3.49Å
478	A	94.9	Very high	93	Very high	17 Å²	17	32.4 Å²	32.4	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.6	178.8	0	0	0	0	0	109.5	Y70 M72 E441 F442	Y70-A478 HydrophobicContact CD1-CB 4.36Å; M72-A478 HydrophobicContact CG-CB 3.79Å; E441-A478 CarbonylContact C-O 3.43Å; E441-A478 WeakPolarHBondContact CA-O 3.33Å; F442-A478 HydrophobicContact CB-CB 4.28Å; F442-A478 HydrophobicContact CD2-CB 4.19Å; F442-A478 PolarHBondContact N-O 3.43Å; F442-A478 PolarHBondContact O-N 3.25Å
479	F	94.4	Very high	92.6	Very high	66 Å²	66	37.5 Å²	37.5	29%	0.289	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.1	-179.6	-56.9	-99	0	0	0	109.1	Y70 D71 E441 N481	Y70-F479 CarbonylContact C-O 3.57Å; Y70-F479 VanDerWaalsContact CA-O 3.23Å; Y70-F479 WeakPolarHBondContact CA-O 3.39Å; D71-F479 PolarHBondContact N-O 3.45Å; D71-F479 PolarHBondContact O-N 2.97Å; E441-F479 HydrophobicContact CB-CD1 4.5Å; E441-F479 VanDerWaalsContact CD-CD1 3.48Å; E441-F479 HydrophobicContact CG-CD1 3.73Å; E441-F479 HydrophobicContact CG-CE1 3.8Å; E441-F479 HydrophobicContact CG-CG 4.45Å; E441-F479 WeakPolarHBondContact OE1-CE1 3.36Å; E441-F479 WeakPolarHBondContact OE2-CD1 3.28Å; E441-F479 VanDerWaalsContact OE2-CE1 3.27Å; E441-F479 WeakPolarHBondContact OE2-CE1 3.23Å; F479-N481 PolarHBondContact O-N 2.93Å
480	L	91.5	Very high	91.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	126.2	174.7	-168.4	69.8	0	0	0	109.4	P69 Y70 L438 I440 A484 K485 L488	P69-L480 HydrophobicContact CG-CD1 4.15Å; Y70-L480 HydrophobicContact CD1-CB 4.36Å; Y70-L480 HydrophobicContact CD1-CD1 4.24Å; Y70-L480 HydrophobicContact CE1-CB 4.29Å; Y70-L480 HydrophobicContact CE1-CD1 3.85Å; L438-L480 HydrophobicContact CD2-CD1 4.45Å; L438-L480 HydrophobicContact CD2-CD2 4.05Å; I440-L480 HydrophobicContact CD1-CD2 4.05Å; I440-L480 PolarHBondContact O-N 3.44Å; L480-A484 HydrophobicContact CD1-CB 3.74Å; L480-A484 HydrophobicContact CD2-CB 4.48Å; L480-A484 HydrophobicContact CG-CB 3.96Å; L480-K485 HydrophobicContact CB-CG 4.06Å; L480-K485 HydrophobicContact CD2-CG 3.92Å; L480-K485 HydrophobicContact CG-CG 4.03Å; L480-K485 WeakPolarHBondContact O-CD 3.5Å; L480-K485 VanDerWaalsContact O-CE 3.24Å; L480-K485 WeakPolarHBondContact O-CE 3.48Å; L480-K485 PolarHBondContact O-NZ 3.5Å; L480-L488 HydrophobicContact CD2-CD2 4.02Å
481	N	91.6	Very high	90.8	Very high	31 Å²	31	46.6 Å²	46.6	17%	0.166	24%	0.235	C	C	.	.			trans	-72.7	167.5	-170.9	78.7	14.2	0	0	0	112.4	P69 D71 F479 E483 A484 K485	P69-N481 WeakPolarHBondContact O-CB 3.4Å; P69-N481 VanDerWaalsContact O-CG 3.26Å; P69-N481 PolarHBondContact O-N 3.2Å; D71-N481 WeakPolarHBondContact OD2-CA 3.24Å; D71-N481 VanDerWaalsContact OD2-CB 3.28Å; D71-N481 WeakPolarHBondContact OD2-CB 3.39Å; F479-N481 PolarHBondContact O-N 2.93Å; N481-E483 VanDerWaalsContact C-N 3.29Å; N481-E483 PolarHBondContact O-N 3.05Å; N481-E483 PolarHBondContact OD1-N 2.9Å; N481-A484 PolarHBondContact O-N 3.41Å; N481-A484 WeakPolarHBondContact OD1-CB 3.44Å; N481-A484 PolarHBondContact OD1-N 3.39Å; N481-K485 WeakPolarHBondContact O-CB 3.23Å; N481-K485 WeakPolarHBondContact O-CG 3.29Å; N481-K485 PolarHBondContact O-N 2.99Å
482	A	91.2	Very high	89.9	Confident	81 Å²	81	47.2 Å²	47.2	67%	0.669	24%	0.238	S	C	*	.	H	α-helix	trans	-60.1	-35.2	-174.5	0	0	0	0	0	113.9	L486	A482-L486 WeakPolarHBondContact O-CB 3.39Å; A482-L486 PolarHBondContact O-N 3.5Å; A482-L486 VanDerWaalsContact O-N 3.14Å
483	E	87.7	Confident	89.1	Confident	158 Å²	158	48.2 Å²	48.2	74%	0.738	24%	0.242	S	C	*	.	H	α-helix	trans	-68.2	-48.9	178.3	-174.4	-180	-177.3	0	0	111.3	N481 L486 D487	N481-E483 VanDerWaalsContact C-N 3.29Å; N481-E483 PolarHBondContact O-N 3.05Å; N481-E483 PolarHBondContact OD1-N 2.9Å; E483-L486 PolarHBondContact O-N 3.45Å; E483-D487 WeakPolarHBondContact O-CB 3.39Å; E483-D487 PolarHBondContact O-N 3.49Å
484	A	86.1	Confident	88.5	Confident	15 Å²	15	50.2 Å²	50.2	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-73.5	-29.3	180	0	0	0	0	0	113.4	P69 L480 N481 D487 L488	P69-A484 HydrophobicContact CB-CB 3.64Å; P69-A484 HydrophobicContact CG-CB 3.85Å; L480-A484 HydrophobicContact CD1-CB 3.74Å; L480-A484 HydrophobicContact CD2-CB 4.48Å; L480-A484 HydrophobicContact CG-CB 3.96Å; N481-A484 PolarHBondContact O-N 3.41Å; N481-A484 WeakPolarHBondContact OD1-CB 3.44Å; N481-A484 PolarHBondContact OD1-N 3.39Å; A484-D487 PolarHBondContact O-N 3.29Å; A484-L488 WeakPolarHBondContact O-CB 3.39Å; A484-L488 PolarHBondContact O-N 2.87Å
485	K	88.8	Confident	87.8	Confident	53 Å²	53	52 Å²	52	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-46.7	166.9	-77.4	-177.5	163	122	0	111.1	F337 L480 N481 W489	F337-K485 HydrophobicContact CE2-CB 4.16Å; F337-K485 HydrophobicContact CE2-CD 4.43Å; F337-K485 HydrophobicContact CE2-CG 3.96Å; F337-K485 HydrophobicContact CZ-CB 4.27Å; F337-K485 WeakPolarHBondContact CZ-O 3.29Å; L480-K485 HydrophobicContact CB-CG 4.06Å; L480-K485 HydrophobicContact CD2-CG 3.92Å; L480-K485 HydrophobicContact CG-CG 4.03Å; L480-K485 WeakPolarHBondContact O-CD 3.5Å; L480-K485 VanDerWaalsContact O-CE 3.24Å; L480-K485 WeakPolarHBondContact O-CE 3.48Å; L480-K485 PolarHBondContact O-NZ 3.5Å; N481-K485 WeakPolarHBondContact O-CB 3.23Å; N481-K485 WeakPolarHBondContact O-CG 3.29Å; N481-K485 PolarHBondContact O-N 2.99Å; K485-W489 WeakPolarHBondContact O-CB 3.33Å; K485-W489 PolarHBondContact O-N 3.29Å
486	L	88.1	Confident	87.2	Confident	108 Å²	108	52.5 Å²	52.5	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-65.5	-40.8	178.4	-173.4	146.7	0	0	0	111.8	A482 E483 W489 H490	A482-L486 WeakPolarHBondContact O-CB 3.39Å; A482-L486 PolarHBondContact O-N 3.5Å; A482-L486 VanDerWaalsContact O-N 3.14Å; E483-L486 PolarHBondContact O-N 3.45Å; L486-W489 PolarHBondContact O-N 2.85Å; L486-H490 WeakPolarHBondContact CD2-ND1 3.24Å; L486-H490 PolarHBondContact O-N 3.46Å; L486-H490 PolarHBondContact O-ND1 3.23Å
487	D	83	Confident	86.8	Confident	62 Å²	62	55.1 Å²	55.1	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-41.6	177.4	-174.7	56.8	0	0	0	112.9	E483 A484 R491	E483-D487 WeakPolarHBondContact O-CB 3.39Å; E483-D487 PolarHBondContact O-N 3.49Å; A484-D487 PolarHBondContact O-N 3.29Å; D487-R491 VanDerWaalsContact CG-NE 3.32Å; D487-R491 WeakPolarHBondContact O-CB 3.27Å; D487-R491 VanDerWaalsContact O-CG 3.27Å; D487-R491 WeakPolarHBondContact O-CG 3.31Å; D487-R491 PolarHBondContact O-N 3.23Å; D487-R491 VanDerWaalsContact O-N 3.11Å; D487-R491 IonicContact OD1-CZ 2.66Å; D487-R491 IonicContact OD1-NE 3.22Å; D487-R491 PolarHBondContact OD1-NE 2.89Å; D487-R491 IonicContact OD1-NH2 3.41Å; D487-R491 PolarHBondContact OD1-NH2 3.34Å; D487-R491 IonicContact OD2-CZ 3.3Å; D487-R491 IonicContact OD2-NE 3.67Å; D487-R491 PolarHBondContact OD2-NE 3.47Å; D487-R491 IonicContact OD2-NH1 2.74Å; D487-R491 PolarHBondContact OD2-NH1 2.67Å; D487-R491 IonicContact OD2-NH2 3.04Å; D487-R491 PolarHBondContact OD2-NH2 2.88Å
488	L	81.5	Confident	86.4	Confident	15 Å²	15	59 Å²	59	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-48.4	171.1	175.2	64.8	0	0	0	110.9	F337 L438 I440 L480 A484 H490 R491 L492 F493	F337-L488 HydrophobicContact CD1-CD2 4.14Å; F337-L488 HydrophobicContact CD2-CD2 4.33Å; F337-L488 HydrophobicContact CE1-CD2 3.96Å; F337-L488 HydrophobicContact CE1-CG 4.21Å; F337-L488 HydrophobicContact CE2-CD2 4.21Å; F337-L488 HydrophobicContact CG-CD2 4.3Å; F337-L488 HydrophobicContact CZ-CD2 4.02Å; F337-L488 HydrophobicContact CZ-CG 4.47Å; L438-L488 HydrophobicContact CD2-CD1 3.92Å; L438-L488 HydrophobicContact CD2-CD2 4.03Å; L438-L488 HydrophobicContact CD2-CG 4.37Å; I440-L488 HydrophobicContact CD1-CD2 3.55Å; L480-L488 HydrophobicContact CD2-CD2 4.02Å; A484-L488 WeakPolarHBondContact O-CB 3.39Å; A484-L488 PolarHBondContact O-N 2.87Å; L488-H490 PolarHBondContact O-N 2.88Å; L488-R491 PolarHBondContact O-N 2.95Å; L488-L492 HydrophobicContact CD1-CB 4.12Å; L488-L492 HydrophobicContact CD1-CD2 3.99Å; L488-L492 WeakPolarHBondContact O-CB 3.36Å; L488-L492 PolarHBondContact O-N 2.99Å; L488-F493 HydrophobicContact CD1-CE2 4.41Å; L488-F493 HydrophobicContact CD2-CE2 4.3Å; L488-F493 HydrophobicContact CG-CD2 4.33Å; L488-F493 HydrophobicContact CG-CE2 4.14Å
489	W	85.8	Confident	86.1	Confident	106 Å²	106	59.1 Å²	59.1	40%	0.402	31%	0.305	S	S	.	.	I	π-helix	trans	-60.2	-47.4	-178.7	-169.1	90.8	0	0	0	111.6	F337 K485 L486 R491 F493 L494	F337-W489 HydrophobicContact CE1-CB 3.93Å; F337-W489 AromaticContact CE1-CD1 3.86Å; F337-W489 HydrophobicContact CE1-CG 4.33Å; F337-W489 HydrophobicContact CZ-CB 4.2Å; K485-W489 WeakPolarHBondContact O-CB 3.33Å; K485-W489 PolarHBondContact O-N 3.29Å; L486-W489 PolarHBondContact O-N 2.85Å; W489-R491 VanDerWaalsContact C-N 3.34Å; W489-R491 PolarHBondContact O-N 3.44Å; W489-F493 HydrophobicContact CG-CB 4.36Å; W489-F493 PolarHBondContact O-N 3.4Å; W489-F493 VanDerWaalsContact O-N 3.12Å; W489-L494 HydrophobicContact CE3-CB 4.05Å; W489-L494 HydrophobicContact CH2-CB 4.32Å; W489-L494 HydrophobicContact CH2-CD1 3.78Å; W489-L494 HydrophobicContact CZ3-CB 3.9Å; W489-L494 HydrophobicContact CZ3-CD1 3.87Å; W489-L494 HydrophobicContact CZ3-CD2 4.05Å; W489-L494 HydrophobicContact CZ3-CG 4.16Å; W489-L494 WeakPolarHBondContact O-CB 3.33Å; W489-L494 PolarHBondContact O-N 2.91Å
490	H	83.8	Confident	86	Confident	92 Å²	92	61 Å²	61	43%	0.426	31%	0.312	S	S	.	.	I	π-helix	trans	-66.8	-30.3	179.3	-76.7	84.1	0	0	0	113.9	L486 L488	L486-H490 WeakPolarHBondContact CD2-ND1 3.24Å; L486-H490 PolarHBondContact O-N 3.46Å; L486-H490 PolarHBondContact O-ND1 3.23Å; L488-H490 PolarHBondContact O-N 2.88Å
491	R	75	Confident	86	Confident	100 Å²	100	63.3 Å²	63.3	38%	0.377	33%	0.332	S	S	.	.	I	π-helix	trans	-86.8	-41.9	-178.3	-69.3	179.7	-164.8	-179.4	10	113.9	D487 L488 W489 P495	D487-R491 VanDerWaalsContact CG-NE 3.32Å; D487-R491 WeakPolarHBondContact O-CB 3.27Å; D487-R491 VanDerWaalsContact O-CG 3.27Å; D487-R491 WeakPolarHBondContact O-CG 3.31Å; D487-R491 PolarHBondContact O-N 3.23Å; D487-R491 VanDerWaalsContact O-N 3.11Å; D487-R491 IonicContact OD1-CZ 2.66Å; D487-R491 IonicContact OD1-NE 3.22Å; D487-R491 PolarHBondContact OD1-NE 2.89Å; D487-R491 IonicContact OD1-NH2 3.41Å; D487-R491 PolarHBondContact OD1-NH2 3.34Å; D487-R491 IonicContact OD2-CZ 3.3Å; D487-R491 IonicContact OD2-NE 3.67Å; D487-R491 PolarHBondContact OD2-NE 3.47Å; D487-R491 IonicContact OD2-NH1 2.74Å; D487-R491 PolarHBondContact OD2-NH1 2.67Å; D487-R491 IonicContact OD2-NH2 3.04Å; D487-R491 PolarHBondContact OD2-NH2 2.88Å; L488-R491 PolarHBondContact O-N 2.95Å; W489-R491 VanDerWaalsContact C-N 3.34Å; W489-R491 PolarHBondContact O-N 3.44Å; R491-P495 WeakPolarHBondContact O-CG 3.41Å
492	L	78.3	Confident	86.1	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	34%	0.344	C	S	.	.	I	π-helix	trans	-105.9	-43.8	-169.8	-176.8	61	0	0	0	112.9	V33 V37 E433 V435 L488 Q496	V33-L492 HydrophobicContact CG1-CD1 3.99Å; V37-L492 HydrophobicContact CG2-CD1 3.54Å; E433-L492 VanDerWaalsContact CD-CD2 3.4Å; E433-L492 HydrophobicContact CG-CD2 4.08Å; E433-L492 WeakPolarHBondContact OE2-CD2 3.37Å; V435-L492 HydrophobicContact CG1-CD1 4.29Å; L488-L492 HydrophobicContact CD1-CB 4.12Å; L488-L492 HydrophobicContact CD1-CD2 3.99Å; L488-L492 WeakPolarHBondContact O-CB 3.36Å; L488-L492 PolarHBondContact O-N 2.99Å; L492-Q496 WeakPolarHBondContact O-CG 3.39Å; L492-Q496 PolarHBondContact O-NE2 3.4Å; L492-Q496 VanDerWaalsContact O-NE2 3.1Å
493	F	83.2	Confident	86.2	Confident	24 Å²	24	61.2 Å²	61.2	11%	0.105	31%	0.312	C	S	.	.	I	π-helix	trans	-91.6	-41.8	-171.1	-71.2	-90.7	0	0	0	112.7	F337 E433 L488 W489 Q496 V497	F337-F493 HydrophobicContact CB-CE2 4.4Å; F337-F493 HydrophobicContact CB-CZ 4.04Å; F337-F493 HydrophobicContact CD1-CD1 4.4Å; F337-F493 AromaticContact CD1-CD2 3.55Å; F337-F493 HydrophobicContact CD1-CD2 3.55Å; F337-F493 HydrophobicContact CD1-CE1 4.22Å; F337-F493 AromaticContact CD1-CE2 3.33Å; F337-F493 HydrophobicContact CD1-CE2 3.33Å; F337-F493 HydrophobicContact CD1-CG 4.1Å; F337-F493 AromaticContact CD1-CZ 3.7Å; F337-F493 HydrophobicContact CD1-CZ 3.7Å; F337-F493 AromaticContact CE1-CD2 3.77Å; F337-F493 HydrophobicContact CE1-CD2 3.77Å; F337-F493 AromaticContact CE1-CE2 3.94Å; F337-F493 HydrophobicContact CE1-CE2 3.94Å; F337-F493 HydrophobicContact CE1-CG 4.39Å; F337-F493 HydrophobicContact CG-CE2 4.19Å; F337-F493 HydrophobicContact CG-CZ 4.3Å; E433-F493 HydrophobicContact CG-CE2 3.99Å; E433-F493 HydrophobicContact CG-CZ 3.72Å; L488-F493 HydrophobicContact CD1-CE2 4.41Å; L488-F493 HydrophobicContact CD2-CE2 4.3Å; L488-F493 HydrophobicContact CG-CD2 4.33Å; L488-F493 HydrophobicContact CG-CE2 4.14Å; W489-F493 HydrophobicContact CG-CB 4.36Å; W489-F493 PolarHBondContact O-N 3.4Å; W489-F493 VanDerWaalsContact O-N 3.12Å; F493-Q496 CarbonylContact O-C 3.59Å; F493-Q496 WeakPolarHBondContact O-CB 3.42Å; F493-Q496 PolarHBondContact O-N 2.96Å; F493-Q496 VanDerWaalsContact O-N 3.12Å; F493-V497 WeakPolarHBondContact O-CG2 3.39Å; F493-V497 PolarHBondContact O-N 3.35Å
494	L	85.3	Confident	86.5	Confident	50 Å²	50	55.9 Å²	55.9	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-45.9	178.8	176	63.1	0	0	0	112.7	W489 Q496 V497 I498	W489-L494 HydrophobicContact CE3-CB 4.05Å; W489-L494 HydrophobicContact CH2-CB 4.32Å; W489-L494 HydrophobicContact CH2-CD1 3.78Å; W489-L494 HydrophobicContact CZ3-CB 3.9Å; W489-L494 HydrophobicContact CZ3-CD1 3.87Å; W489-L494 HydrophobicContact CZ3-CD2 4.05Å; W489-L494 HydrophobicContact CZ3-CG 4.16Å; W489-L494 WeakPolarHBondContact O-CB 3.33Å; W489-L494 PolarHBondContact O-N 2.91Å; L494-Q496 VanDerWaalsContact C-N 3.32Å; L494-Q496 PolarHBondContact O-N 2.81Å; L494-V497 PolarHBondContact O-N 3.36Å; L494-I498 HydrophobicContact CD1-CD1 3.69Å; L494-I498 HydrophobicContact CD1-CG1 4.03Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 VanDerWaalsContact O-CG1 3.32Å; L494-I498 WeakPolarHBondContact O-CG1 3.37Å; L494-I498 PolarHBondContact O-N 2.86Å
495	P	83.2	Confident	86.9	Confident	49 Å²	49	59.2 Å²	59.2	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-36	175.2	-22.4	35.2	0	0	0	112.7	R491 A499	R491-P495 WeakPolarHBondContact O-CG 3.41Å; P495-A499 VanDerWaalsContact O-CB 3.25Å; P495-A499 WeakPolarHBondContact O-CB 3.4Å; P495-A499 PolarHBondContact O-N 2.91Å
496	Q	84.8	Confident	87.2	Confident	25 Å²	25	58.6 Å²	58.6	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-45.4	174.1	-77.2	-174	58.6	0	0	112.7	V33 L492 F493 L494 A499 K500	V33-Q496 HydrophobicContact CG2-CG 3.43Å; V33-Q496 VanDerWaalsContact CG2-CG 3.43Å; L492-Q496 WeakPolarHBondContact O-CG 3.39Å; L492-Q496 PolarHBondContact O-NE2 3.4Å; L492-Q496 VanDerWaalsContact O-NE2 3.1Å; F493-Q496 CarbonylContact O-C 3.59Å; F493-Q496 WeakPolarHBondContact O-CB 3.42Å; F493-Q496 PolarHBondContact O-N 2.96Å; F493-Q496 VanDerWaalsContact O-N 3.12Å; L494-Q496 VanDerWaalsContact C-N 3.32Å; L494-Q496 PolarHBondContact O-N 2.81Å; Q496-A499 PolarHBondContact O-N 3.31Å; Q496-K500 VanDerWaalsContact O-CB 3.24Å; Q496-K500 WeakPolarHBondContact O-CB 3.42Å; Q496-K500 WeakPolarHBondContact O-CG 3.26Å; Q496-K500 PolarHBondContact O-N 2.92Å
497	V	88.4	Confident	87.5	Confident	80 Å²	80	55.8 Å²	55.8	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-45.1	-179.8	170.4	0	0	0	0	110	F493 L494 K500 A501	F493-V497 WeakPolarHBondContact O-CG2 3.39Å; F493-V497 PolarHBondContact O-N 3.35Å; L494-V497 PolarHBondContact O-N 3.36Å; V497-K500 PolarHBondContact O-N 3.04Å; V497-A501 VanDerWaalsContact O-CB 3.23Å; V497-A501 WeakPolarHBondContact O-CB 3.48Å; V497-A501 PolarHBondContact O-N 3.42Å
498	I	88.8	Confident	88.1	Confident	93 Å²	93	56.8 Å²	56.8	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-49.6	174.9	-67.9	168	0	0	0	110.6	L494 A501 V502	L494-I498 HydrophobicContact CD1-CD1 3.69Å; L494-I498 HydrophobicContact CD1-CG1 4.03Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 VanDerWaalsContact O-CG1 3.32Å; L494-I498 WeakPolarHBondContact O-CG1 3.37Å; L494-I498 PolarHBondContact O-N 2.86Å; I498-A501 PolarHBondContact O-N 3.37Å; I498-V502 HydrophobicContact CG2-CG2 4.22Å; I498-V502 WeakPolarHBondContact O-CB 3.1Å; I498-V502 VanDerWaalsContact O-CG2 3.28Å; I498-V502 WeakPolarHBondContact O-CG2 3.32Å; I498-V502 PolarHBondContact O-N 3.42Å
499	A	88.1	Confident	88.8	Confident	20 Å²	20	59.2 Å²	59.2	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-37.3	-178.1	0	0	0	0	0	113.2	I25 L29 P495 Q496 G503	I25-A499 HydrophobicContact CG2-CB 4.5Å; L29-A499 HydrophobicContact CD1-CB 3.51Å; L29-A499 HydrophobicContact CD2-CB 3.85Å; L29-A499 HydrophobicContact CG-CB 4.26Å; P495-A499 VanDerWaalsContact O-CB 3.25Å; P495-A499 WeakPolarHBondContact O-CB 3.4Å; P495-A499 PolarHBondContact O-N 2.91Å; Q496-A499 PolarHBondContact O-N 3.31Å; A499-G503 PolarHBondContact O-N 2.91Å
500	K	90.9	Very high	89.2	Confident	105 Å²	105	54.1 Å²	54.1	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-46.6	172.8	-74	168.9	-170.9	170.7	0	110.8	L29 Q496 V497 A504	L29-K500 HydrophobicContact CD2-CG 3.68Å; Q496-K500 VanDerWaalsContact O-CB 3.24Å; Q496-K500 WeakPolarHBondContact O-CB 3.42Å; Q496-K500 WeakPolarHBondContact O-CG 3.26Å; Q496-K500 PolarHBondContact O-N 2.92Å; V497-K500 PolarHBondContact O-N 3.04Å; K500-A504 VanDerWaalsContact O-CB 3.23Å; K500-A504 WeakPolarHBondContact O-CB 3.33Å; K500-A504 PolarHBondContact O-N 2.92Å
501	A	92.8	Very high	89.7	Confident	51 Å²	51	52.4 Å²	52.4	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-53.7	178	0	0	0	0	0	111.7	V497 I498 G503 A504 T505	V497-A501 VanDerWaalsContact O-CB 3.23Å; V497-A501 WeakPolarHBondContact O-CB 3.48Å; V497-A501 PolarHBondContact O-N 3.42Å; I498-A501 PolarHBondContact O-N 3.37Å; A501-G503 PolarHBondContact O-N 3.38Å; A501-A504 PolarHBondContact O-N 2.87Å; A501-T505 WeakPolarHBondContact O-CB 3.24Å; A501-T505 PolarHBondContact O-N 3.49Å; A501-T505 PolarHBondContact O-OG1 3.45Å; A501-T505 VanDerWaalsContact O-OG1 3.05Å
502	V	93.9	Very high	90.7	Very high	68 Å²	68	52.3 Å²	52.3	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-46.1	178.9	170.8	0	0	0	0	111.2	I498 A504 T505 L506	I498-V502 HydrophobicContact CG2-CG2 4.22Å; I498-V502 WeakPolarHBondContact O-CB 3.1Å; I498-V502 VanDerWaalsContact O-CG2 3.28Å; I498-V502 WeakPolarHBondContact O-CG2 3.32Å; I498-V502 PolarHBondContact O-N 3.42Å; V502-A504 PolarHBondContact O-N 3.28Å; V502-T505 PolarHBondContact O-N 2.91Å; V502-L506 HydrophobicContact CG1-CD1 3.81Å; V502-L506 HydrophobicContact CG1-CG 4.41Å; V502-L506 WeakPolarHBondContact O-CB 3.38Å; V502-L506 VanDerWaalsContact O-CG 3.24Å; V502-L506 WeakPolarHBondContact O-CG 3.3Å; V502-L506 PolarHBondContact O-N 2.92Å
503	G	92.6	Very high	91.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-44.7	176.8	0	0	0	0	0	112.8	A499 A501 L506 I507	A499-G503 PolarHBondContact O-N 2.91Å; A501-G503 PolarHBondContact O-N 3.38Å; G503-L506 PolarHBondContact O-N 3.46Å; G503-I507 WeakPolarHBondContact O-CG1 3.46Å; G503-I507 PolarHBondContact O-N 2.97Å
504	A	93.6	Very high	91.7	Very high	46 Å²	46	54.5 Å²	54.5	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-43.6	176.3	0	0	0	0	0	112.5	K500 A501 V502 L506 I507 V508	K500-A504 VanDerWaalsContact O-CB 3.23Å; K500-A504 WeakPolarHBondContact O-CB 3.33Å; K500-A504 PolarHBondContact O-N 2.92Å; A501-A504 PolarHBondContact O-N 2.87Å; V502-A504 PolarHBondContact O-N 3.28Å; A504-L506 VanDerWaalsContact C-N 3.33Å; A504-L506 PolarHBondContact O-N 3.45Å; A504-I507 PolarHBondContact O-N 3.31Å; A504-V508 WeakPolarHBondContact O-CG2 3.31Å; A504-V508 PolarHBondContact O-N 3.46Å
505	T	95	Very high	92.1	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-39.5	176.6	-58.8	0	0	0	0	111.4	A501 V502 V508 T509	A501-T505 WeakPolarHBondContact O-CB 3.24Å; A501-T505 PolarHBondContact O-N 3.49Å; A501-T505 PolarHBondContact O-OG1 3.45Å; A501-T505 VanDerWaalsContact O-OG1 3.05Å; V502-T505 PolarHBondContact O-N 2.91Å; T505-V508 PolarHBondContact O-N 3.01Å; T505-T509 HydrophobicContact CG2-CG2 4.28Å; T505-T509 WeakPolarHBondContact O-CB 3.4Å; T505-T509 WeakPolarHBondContact O-CG2 3.39Å; T505-T509 PolarHBondContact O-N 3.49Å; T505-T509 PolarHBondContact O-OG1 2.87Å
506	L	95.4	Very high	92.5	Very high	39 Å²	39	59.8 Å²	59.8	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-37.3	175.2	-73.8	169.2	0	0	0	112.5	L18 I25 V502 G503 A504 T509 G510	L18-L506 CarbonylContact C-O 3.55Å; L18-L506 HydrophobicContact CD2-CD2 3.67Å; I25-L506 HydrophobicContact CD1-CD1 3.58Å; V502-L506 HydrophobicContact CG1-CD1 3.81Å; V502-L506 HydrophobicContact CG1-CG 4.41Å; V502-L506 WeakPolarHBondContact O-CB 3.38Å; V502-L506 VanDerWaalsContact O-CG 3.24Å; V502-L506 WeakPolarHBondContact O-CG 3.3Å; V502-L506 PolarHBondContact O-N 2.92Å; G503-L506 PolarHBondContact O-N 3.46Å; A504-L506 VanDerWaalsContact C-N 3.33Å; A504-L506 PolarHBondContact O-N 3.45Å; L506-T509 PolarHBondContact O-OG1 2.95Å; L506-G510 WeakPolarHBondContact O-CA 3.46Å; L506-G510 PolarHBondContact O-N 3.18Å
507	I	95	Very high	92.6	Very high	49 Å²	49	58.6 Å²	58.6	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-48.4	173.7	-69.2	167	0	0	0	110.8	L26 G503 A504 G510 V511	L26-I507 HydrophobicContact CD1-CD1 3.63Å; G503-I507 WeakPolarHBondContact O-CG1 3.46Å; G503-I507 PolarHBondContact O-N 2.97Å; A504-I507 PolarHBondContact O-N 3.31Å; I507-G510 PolarHBondContact O-N 3.25Å; I507-V511 HydrophobicContact CG2-CG2 4.26Å; I507-V511 WeakPolarHBondContact O-CB 3.4Å; I507-V511 VanDerWaalsContact O-CG2 3.26Å; I507-V511 WeakPolarHBondContact O-CG2 3.38Å; I507-V511 PolarHBondContact O-N 2.88Å
508	V	95.5	Very high	92.6	Very high	84 Å²	84	58.1 Å²	58.1	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-46.7	-178.9	171.3	0	0	0	0	111.3	A504 T505 L512	A504-V508 WeakPolarHBondContact O-CG2 3.31Å; A504-V508 PolarHBondContact O-N 3.46Å; T505-V508 PolarHBondContact O-N 3.01Å; V508-L512 HydrophobicContact CG1-CD1 4.03Å; V508-L512 WeakPolarHBondContact O-CB 3.46Å; V508-L512 WeakPolarHBondContact O-CG 3.41Å; V508-L512 PolarHBondContact O-N 3.33Å
509	T	95.3	Very high	92.6	Very high	65 Å²	65	55.3 Å²	55.3	40%	0.399	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-36.6	177	52.9	0	0	0	0	111.8	T505 L506 G513	T505-T509 HydrophobicContact CG2-CG2 4.28Å; T505-T509 WeakPolarHBondContact O-CB 3.4Å; T505-T509 WeakPolarHBondContact O-CG2 3.39Å; T505-T509 PolarHBondContact O-N 3.49Å; T505-T509 PolarHBondContact O-OG1 2.87Å; L506-T509 PolarHBondContact O-OG1 2.95Å; T509-G513 PolarHBondContact O-N 3.46Å
510	G	94.5	Very high	92.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-47.6	173.9	0	0	0	0	0	113.8	G15 L506 I507 G513 F514	G15-G510 CarbonylContact C-O 3.58Å; G15-G510 WeakPolarHBondContact CA-O 3.46Å; G15-G510 CarbonylContact O-C 3.49Å; G15-G510 WeakPolarHBondContact O-CA 3.22Å; L506-G510 WeakPolarHBondContact O-CA 3.46Å; L506-G510 PolarHBondContact O-N 3.18Å; I507-G510 PolarHBondContact O-N 3.25Å; G510-G513 PolarHBondContact O-N 3.39Å; G510-F514 VanDerWaalsContact O-CB 3.24Å; G510-F514 WeakPolarHBondContact O-CB 3.39Å; G510-F514 PolarHBondContact O-N 3.43Å
511	V	94.9	Very high	92.2	Very high	56 Å²	56	56.4 Å²	56.4	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-46.8	176	168.4	0	0	0	0	110.9	L19 I507 F514 L515	L19-V511 HydrophobicContact CD1-CG2 3.6Å; L19-V511 HydrophobicContact CG-CG2 4.22Å; I507-V511 HydrophobicContact CG2-CG2 4.26Å; I507-V511 WeakPolarHBondContact O-CB 3.4Å; I507-V511 VanDerWaalsContact O-CG2 3.26Å; I507-V511 WeakPolarHBondContact O-CG2 3.38Å; I507-V511 PolarHBondContact O-N 2.88Å; V511-F514 PolarHBondContact O-N 3.23Å; V511-L515 HydrophobicContact CG1-CD1 3.74Å; V511-L515 HydrophobicContact CG1-CG 4.33Å; V511-L515 WeakPolarHBondContact O-CB 3.29Å; V511-L515 VanDerWaalsContact O-CG 3.3Å; V511-L515 WeakPolarHBondContact O-CG 3.46Å; V511-L515 PolarHBondContact O-N 3.05Å
512	L	94.3	Very high	91.9	Very high	97 Å²	97	57.2 Å²	57.2	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-46.9	177.1	-72.6	168.7	0	0	0	111.6	V508 F514 L515 L516	V508-L512 HydrophobicContact CG1-CD1 4.03Å; V508-L512 WeakPolarHBondContact O-CB 3.46Å; V508-L512 WeakPolarHBondContact O-CG 3.41Å; V508-L512 PolarHBondContact O-N 3.33Å; L512-F514 VanDerWaalsContact C-N 3.35Å; L512-F514 PolarHBondContact O-N 3.27Å; L512-L515 PolarHBondContact O-N 2.94Å; L512-L516 VanDerWaalsContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CB 3.38Å; L512-L516 WeakPolarHBondContact O-CG 3.47Å; L512-L516 PolarHBondContact O-N 3.45Å
513	G	91.5	Very high	91.4	Very high	17 Å²	17	60.7 Å²	60.7	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-38.8	177.3	0	0	0	0	0	113.4	T509 G510 G517	T509-G513 PolarHBondContact O-N 3.46Å; G510-G513 PolarHBondContact O-N 3.39Å; G513-G517 PolarHBondContact O-N 2.82Å
514	F	92.8	Very high	90.9	Very high	65 Å²	65	65.7 Å²	65.7	29%	0.285	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-48.8	176.7	-175.3	-106.3	0	0	0	112.1	F16 G510 V511 L512 G517 I518	F16-F514 HydrophobicContact CB-CD2 3.86Å; F16-F514 HydrophobicContact CB-CE2 4.1Å; F16-F514 HydrophobicContact CD2-CD2 4.25Å; F16-F514 AromaticContact CD2-CE2 3.9Å; F16-F514 HydrophobicContact CD2-CE2 3.9Å; F16-F514 HydrophobicContact CD2-CZ 4.42Å; F16-F514 HydrophobicContact CG-CD2 4.48Å; F16-F514 HydrophobicContact CG-CE2 4.28Å; G510-F514 VanDerWaalsContact O-CB 3.24Å; G510-F514 WeakPolarHBondContact O-CB 3.39Å; G510-F514 PolarHBondContact O-N 3.43Å; V511-F514 PolarHBondContact O-N 3.23Å; L512-F514 VanDerWaalsContact C-N 3.35Å; L512-F514 PolarHBondContact O-N 3.27Å; F514-G517 PolarHBondContact O-N 3.07Å; F514-I518 HydrophobicContact CD1-CD1 4.13Å; F514-I518 HydrophobicContact CD2-CD1 4.12Å; F514-I518 HydrophobicContact CE1-CD1 3.63Å; F514-I518 HydrophobicContact CE2-CD1 3.62Å; F514-I518 HydrophobicContact CG-CD1 4.37Å; F514-I518 HydrophobicContact CZ-CD1 3.36Å; F514-I518 WeakPolarHBondContact O-CB 3.35Å; F514-I518 WeakPolarHBondContact O-CG1 3.44Å; F514-I518 PolarHBondContact O-N 3.23Å
515	L	92.9	Very high	90.3	Very high	111 Å²	111	70.8 Å²	70.8	58%	0.581	36%	0.363	S	S	*	.	H	α-helix	trans	-66.2	-40.8	179.2	-69.8	175.2	0	0	0	112.4	V511 L512 G519	V511-L515 HydrophobicContact CG1-CD1 3.74Å; V511-L515 HydrophobicContact CG1-CG 4.33Å; V511-L515 WeakPolarHBondContact O-CB 3.29Å; V511-L515 VanDerWaalsContact O-CG 3.3Å; V511-L515 WeakPolarHBondContact O-CG 3.46Å; V511-L515 PolarHBondContact O-N 3.05Å; L512-L515 PolarHBondContact O-N 2.94Å; L515-G519 WeakPolarHBondContact O-CA 3.5Å; L515-G519 PolarHBondContact O-N 2.97Å
516	L	90.9	Very high	89.6	Confident	99 Å²	99	72.9 Å²	72.9	52%	0.518	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-46.4	174.9	-69.9	169.7	0	0	0	111.3	L512 I518 G519 F520	L512-L516 VanDerWaalsContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CB 3.38Å; L512-L516 WeakPolarHBondContact O-CG 3.47Å; L512-L516 PolarHBondContact O-N 3.45Å; L516-I518 PolarHBondContact O-N 2.83Å; L516-G519 PolarHBondContact O-N 2.99Å; L516-F520 HydrophobicContact CD2-CE2 4.24Å; L516-F520 WeakPolarHBondContact O-CB 3.48Å; L516-F520 WeakPolarHBondContact O-CD2 3.42Å; L516-F520 PolarHBondContact O-N 3.44Å
517	G	87.7	Confident	88.8	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-45.6	178.9	0	0	0	0	0	112.7	G513 F514 F521	G513-G517 PolarHBondContact O-N 2.82Å; F514-G517 PolarHBondContact O-N 3.07Å; G517-F521 WeakPolarHBondContact O-CB 3.32Å; G517-F521 PolarHBondContact O-N 3.18Å; G517-F521 VanDerWaalsContact O-N 3.12Å
518	I	88.6	Confident	87.6	Confident	69 Å²	69	74.4 Å²	74.4	35%	0.354	38%	0.375	S	S	.	.	H	α-helix	trans	-70.2	-46.7	175.8	-68.9	-179.1	0	0	0	111.4	A12 F514 L516 F520 F521 T522	A12-I518 HydrophobicContact CB-CG1 4.09Å; F514-I518 HydrophobicContact CD1-CD1 4.13Å; F514-I518 HydrophobicContact CD2-CD1 4.12Å; F514-I518 HydrophobicContact CE1-CD1 3.63Å; F514-I518 HydrophobicContact CE2-CD1 3.62Å; F514-I518 HydrophobicContact CG-CD1 4.37Å; F514-I518 HydrophobicContact CZ-CD1 3.36Å; F514-I518 WeakPolarHBondContact O-CB 3.35Å; F514-I518 WeakPolarHBondContact O-CG1 3.44Å; F514-I518 PolarHBondContact O-N 3.23Å; L516-I518 PolarHBondContact O-N 2.83Å; I518-F520 PolarHBondContact O-N 3.06Å; I518-F521 CarbonylContact O-C 3.52Å; I518-F521 WeakPolarHBondContact O-CA 3.21Å; I518-F521 WeakPolarHBondContact O-CB 3.47Å; I518-F521 PolarHBondContact O-N 3.12Å; I518-F521 VanDerWaalsContact O-N 3.07Å; I518-T522 HydrophobicContact CG2-CG2 4.27Å; I518-T522 PolarHBondContact O-N 2.84Å; I518-T522 PolarHBondContact O-OG1 3.02Å
519	G	87.7	Confident	86.5	Confident	34 Å²	34	73.9 Å²	73.9	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-43.2	-177	0	0	0	0	0	113.1	L515 L516 T522 Y523	L515-G519 WeakPolarHBondContact O-CA 3.5Å; L515-G519 PolarHBondContact O-N 2.97Å; L516-G519 PolarHBondContact O-N 2.99Å; G519-T522 PolarHBondContact O-OG1 2.99Å; G519-T522 VanDerWaalsContact O-OG1 3.06Å; G519-Y523 VanDerWaalsContact O-CB 3.28Å; G519-Y523 WeakPolarHBondContact O-CB 3.27Å; G519-Y523 PolarHBondContact O-N 2.9Å
520	F	86.1	Confident	85.4	Confident	104 Å²	104	76 Å²	76	46%	0.456	38%	0.38	S	S	.	.	H	α-helix	trans	-68.4	-36.4	172	-81.9	-67.8	0	0	0	112.2	L8 L516 I518 Y524	L8-F520 HydrophobicContact CD1-CB 4.12Å; L8-F520 HydrophobicContact CD2-CB 3.73Å; L516-F520 HydrophobicContact CD2-CE2 4.24Å; L516-F520 WeakPolarHBondContact O-CB 3.48Å; L516-F520 WeakPolarHBondContact O-CD2 3.42Å; L516-F520 PolarHBondContact O-N 3.44Å; I518-F520 PolarHBondContact O-N 3.06Å; F520-Y524 HydrophobicContact CD1-CE2 4.39Å; F520-Y524 WeakPolarHBondContact O-CB 3.28Å; F520-Y524 WeakPolarHBondContact O-CD2 3.47Å; F520-Y524 PolarHBondContact O-N 2.91Å
521	F	85.4	Confident	84.2	Confident	44 Å²	44	80 Å²	80	19%	0.193	41%	0.405	C	S	.	.	H	α-helix	trans	-64.4	-43.2	175.9	178.4	-96.8	0	0	0	112.4	Q5 L8 L9 G517 I518 R525	Q5-F521 HydrophobicContact CB-CE2 4.23Å; Q5-F521 HydrophobicContact CG-CE2 4.42Å; L8-F521 HydrophobicContact CB-CB 4.36Å; L9-F521 HydrophobicContact CD1-CD2 4.32Å; L9-F521 HydrophobicContact CD1-CE2 3.75Å; L9-F521 HydrophobicContact CD1-CZ 4.21Å; L9-F521 HydrophobicContact CD2-CD1 4.29Å; L9-F521 HydrophobicContact CD2-CD2 3.9Å; L9-F521 HydrophobicContact CD2-CE1 4.28Å; L9-F521 HydrophobicContact CD2-CE2 3.9Å; L9-F521 HydrophobicContact CD2-CG 4.11Å; L9-F521 HydrophobicContact CD2-CZ 4.09Å; L9-F521 HydrophobicContact CG-CD2 3.81Å; L9-F521 HydrophobicContact CG-CE2 3.75Å; L9-F521 HydrophobicContact CG-CG 4.47Å; L9-F521 HydrophobicContact CG-CZ 4.37Å; G517-F521 WeakPolarHBondContact O-CB 3.32Å; G517-F521 PolarHBondContact O-N 3.18Å; G517-F521 VanDerWaalsContact O-N 3.12Å; I518-F521 CarbonylContact O-C 3.52Å; I518-F521 WeakPolarHBondContact O-CA 3.21Å; I518-F521 WeakPolarHBondContact O-CB 3.47Å; I518-F521 PolarHBondContact O-N 3.12Å; I518-F521 VanDerWaalsContact O-N 3.07Å; F521-R525 VanDerWaalsContact O-CB 3.27Å; F521-R525 WeakPolarHBondContact O-CB 3.39Å; F521-R525 PolarHBondContact O-N 3Å
522	T	85.3	Confident	82.8	Confident	69 Å²	69	81 Å²	81	42%	0.423	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-42.4	176.2	51.1	0	0	0	0	111.6	I518 G519 R525 Q526	I518-T522 HydrophobicContact CG2-CG2 4.27Å; I518-T522 PolarHBondContact O-N 2.84Å; I518-T522 PolarHBondContact O-OG1 3.02Å; G519-T522 PolarHBondContact O-OG1 2.99Å; G519-T522 VanDerWaalsContact O-OG1 3.06Å; T522-R525 PolarHBondContact O-N 3.29Å; T522-Q526 PolarHBondContact O-N 2.92Å
523	Y	85.2	Confident	81.5	Confident	141 Å²	141	82.2 Å²	82.2	55%	0.553	41%	0.41	S	S	*	.	H	α-helix	trans	-58.2	-55.9	174.7	177.3	-99.7	0	0	0	111.8	G519 R525 Q526 S527	G519-Y523 VanDerWaalsContact O-CB 3.28Å; G519-Y523 WeakPolarHBondContact O-CB 3.27Å; G519-Y523 PolarHBondContact O-N 2.9Å; Y523-R525 PolarHBondContact O-N 3.2Å; Y523-Q526 PolarHBondContact O-N 3.06Å; Y523-Q526 VanDerWaalsContact O-N 3.15Å; Y523-S527 PolarHBondContact O-N 3.15Å; Y523-S527 PolarHBondContact O-OG 2.96Å
524	Y	80.9	Confident	80.1	Confident	104 Å²	104	84 Å²	84	41%	0.408	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-30.1	178.2	-87.9	-66.4	0	0	0	113.1	L8 F520 F528	L8-Y524 HydrophobicContact CD1-CD2 3.62Å; L8-Y524 HydrophobicContact CD1-CE2 4.21Å; L8-Y524 HydrophobicContact CD1-CG 4.48Å; F520-Y524 HydrophobicContact CD1-CE2 4.39Å; F520-Y524 WeakPolarHBondContact O-CB 3.28Å; F520-Y524 WeakPolarHBondContact O-CD2 3.47Å; F520-Y524 PolarHBondContact O-N 2.91Å; Y524-F528 WeakPolarHBondContact O-CB 3.3Å; Y524-F528 PolarHBondContact O-N 3.09Å; Y524-F528 VanDerWaalsContact O-N 3.09Å
525	R	80.9	Confident	78.5	Confident	154 Å²	154	87.5 Å²	87.5	58%	0.581	43%	0.434	S	S	*	.	H	α-helix	trans	-71.9	-42.9	174.9	-170	174.1	-178.6	179.8	0.4	111.9	F521 T522 Y523 F528 T529	F521-R525 VanDerWaalsContact O-CB 3.27Å; F521-R525 WeakPolarHBondContact O-CB 3.39Å; F521-R525 PolarHBondContact O-N 3Å; T522-R525 PolarHBondContact O-N 3.29Å; Y523-R525 PolarHBondContact O-N 3.2Å; R525-F528 PolarHBondContact O-N 3.28Å; R525-T529 PolarHBondContact O-N 2.95Å; R525-T529 PolarHBondContact O-OG1 3.23Å
526	Q	80.7	Confident	77	Confident	129 Å²	129	86.3 Å²	86.3	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-62.7	-46.5	174.6	-74.5	-176.7	-72.1	0	0	111.7	T522 Y523 F528 T529 I530	T522-Q526 PolarHBondContact O-N 2.92Å; Y523-Q526 PolarHBondContact O-N 3.06Å; Y523-Q526 VanDerWaalsContact O-N 3.15Å; Q526-F528 PolarHBondContact O-N 3.26Å; Q526-T529 PolarHBondContact O-N 3.08Å; Q526-I530 WeakPolarHBondContact O-CG1 3.38Å; Q526-I530 PolarHBondContact O-N 3.46Å; Q526-I530 VanDerWaalsContact O-N 3.1Å
527	S	78.1	Confident	75.5	Confident	43 Å²	43	86.3 Å²	86.3	30%	0.301	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-34.1	175.1	-56	0	0	0	0	112.6	Y523 V531	Y523-S527 PolarHBondContact O-N 3.15Å; Y523-S527 PolarHBondContact O-OG 2.96Å; S527-V531 VanDerWaalsContact O-CG2 3.3Å; S527-V531 WeakPolarHBondContact O-CG2 3.36Å; S527-V531 PolarHBondContact O-N 3.17Å
528	F	70.4	Confident	74.1	Confident	76 Å²	76	90.8 Å²	90.8	33%	0.333	45%	0.452	S	S	.	.	H	α-helix	trans	-72.8	-40.3	175.5	-176.1	-99.4	0	0	0	112.9	M1 Y524 R525 Q526 I530 V531 M532	M1-F528 HydrophobicContact CE-CD2 4.11Å; M1-F528 HydrophobicContact CE-CE2 3.89Å; M1-F528 HydrophobicContact SD-CD2 3.47Å; M1-F528 WeakPolarHBondContact SD-CD2 3.47Å; M1-F528 HydrophobicContact SD-CE2 3.63Å; M1-F528 HydrophobicContact SD-CG 4.46Å; Y524-F528 WeakPolarHBondContact O-CB 3.3Å; Y524-F528 PolarHBondContact O-N 3.09Å; Y524-F528 VanDerWaalsContact O-N 3.09Å; R525-F528 PolarHBondContact O-N 3.28Å; Q526-F528 PolarHBondContact O-N 3.26Å; F528-I530 VanDerWaalsContact C-N 3.33Å; F528-I530 PolarHBondContact O-N 3.31Å; F528-V531 PolarHBondContact O-N 3.1Å; F528-M532 HydrophobicContact CD1-CG 4.33Å; F528-M532 HydrophobicContact CE1-CG 3.69Å; F528-M532 HydrophobicContact CE1-SD 3.65Å; F528-M532 HydrophobicContact CE2-CG 4.33Å; F528-M532 HydrophobicContact CZ-CG 3.69Å; F528-M532 PolarHBondContact O-N 2.87Å; F528-M532 HydrophobicContact CZ-SD 3.73Å
529	T	73	Confident	72.6	Confident	74 Å²	74	90.4 Å²	90.4	45%	0.454	46%	0.455	S	S	.	.	H	α-helix	trans	-57.5	-47.8	174.7	-56.6	0	0	0	0	110.9	R525 Q526 V531 M532 E533	R525-T529 PolarHBondContact O-N 2.95Å; R525-T529 PolarHBondContact O-OG1 3.23Å; Q526-T529 PolarHBondContact O-N 3.08Å; T529-V531 PolarHBondContact O-N 2.67Å; T529-V531 VanDerWaalsContact C-N 3.29Å; T529-M532 PolarHBondContact O-N 3.19Å; T529-M532 VanDerWaalsContact O-N 3.08Å; T529-E533 WeakPolarHBondContact O-CB 3.43Å; T529-E533 PolarHBondContact O-N 3.01Å
530	I	71.6	Confident	71.2	Confident	109 Å²	109	95.4 Å²	95.4	56%	0.559	47%	0.47	S	S	*	.	H	α-helix	trans	-60.2	-37.9	179.9	-64.7	163	0	0	0	111.7	Q526 F528 S534	Q526-I530 WeakPolarHBondContact O-CG1 3.38Å; Q526-I530 PolarHBondContact O-N 3.46Å; Q526-I530 VanDerWaalsContact O-N 3.1Å; F528-I530 VanDerWaalsContact C-N 3.33Å; F528-I530 PolarHBondContact O-N 3.31Å; I530-S534 PolarHBondContact O-N 3.44Å; I530-S534 VanDerWaalsContact O-N 3.1Å
531	V	69.5	Low	69.8	Low	84 Å²	84	97 Å²	97	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-79	-15.9	179	171	0	0	0	0	113.2	S527 F528 T529 S534	S527-V531 VanDerWaalsContact O-CG2 3.3Å; S527-V531 WeakPolarHBondContact O-CG2 3.36Å; S527-V531 PolarHBondContact O-N 3.17Å; F528-V531 PolarHBondContact O-N 3.1Å; T529-V531 PolarHBondContact O-N 2.67Å; T529-V531 VanDerWaalsContact C-N 3.29Å; V531-S534 PolarHBondContact O-OG 3.26Å
532	M	65.3	Low	68.3	Low	78 Å²	78	100.6 Å²	100.6	38%	0.384	50%	0.497	S	S	.	.	H	α-helix	trans	-84	-45.1	166.1	-80.5	-141.9	58	0	0	111.3	F528 T529 S534 K535 D536	F528-M532 HydrophobicContact CD1-CG 4.33Å; F528-M532 HydrophobicContact CE1-CG 3.69Å; F528-M532 HydrophobicContact CE1-SD 3.65Å; F528-M532 HydrophobicContact CE2-CG 4.33Å; F528-M532 HydrophobicContact CZ-CG 3.69Å; F528-M532 PolarHBondContact O-N 2.87Å; F528-M532 HydrophobicContact CZ-SD 3.73Å; T529-M532 PolarHBondContact O-N 3.19Å; T529-M532 VanDerWaalsContact O-N 3.08Å; M532-S534 VanDerWaalsContact C-N 3.28Å; M532-S534 PolarHBondContact O-N 3.32Å; M532-K535 CarbonylContact O-C 3.54Å; M532-K535 WeakPolarHBondContact O-CA 3.22Å; M532-K535 WeakPolarHBondContact O-CB 3.36Å; M532-K535 PolarHBondContact O-N 3.36Å; M532-D536 PolarHBondContact O-N 2.82Å
533	E	66.6	Low	66.9	Low	122 Å²	122	105 Å²	105	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-58.2	-39.1	179.3	-165.3	164.9	-165.3	0	0	111.7	T529 K535 I537	T529-E533 WeakPolarHBondContact O-CB 3.43Å; T529-E533 PolarHBondContact O-N 3.01Å; E533-K535 PolarHBondContact O-N 3.3Å; E533-I537 WeakPolarHBondContact O-CD1 3.43Å; E533-I537 VanDerWaalsContact O-CG1 3.28Å; E533-I537 WeakPolarHBondContact O-CG1 3.46Å; E533-I537 PolarHBondContact O-N 3.21Å
534	S	63	Low	65.3	Low	55 Å²	55	104.3 Å²	104.3	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-35.1	171.2	70.9	0	0	0	0	113.6	I530 V531 M532 D538	I530-S534 PolarHBondContact O-N 3.44Å; I530-S534 VanDerWaalsContact O-N 3.1Å; V531-S534 PolarHBondContact O-OG 3.26Å; M532-S534 VanDerWaalsContact C-N 3.28Å; M532-S534 PolarHBondContact O-N 3.32Å; S534-D538 PolarHBondContact O-N 3.35Å
535	K	59.9	Low	63.8	Low	137 Å²	137	107.5 Å²	107.5	60%	0.596	54%	0.537	S	S	*	.	H	α-helix	trans	-78.6	-31.3	-177.5	-89.7	-166.7	163	-144.4	0	114.2	M532 E533 I537 D538 S539	M532-K535 CarbonylContact O-C 3.54Å; M532-K535 WeakPolarHBondContact O-CA 3.22Å; M532-K535 WeakPolarHBondContact O-CB 3.36Å; M532-K535 PolarHBondContact O-N 3.36Å; E533-K535 PolarHBondContact O-N 3.3Å; K535-I537 VanDerWaalsContact C-N 3.32Å; K535-D538 PolarHBondContact O-N 3.1Å; K535-S539 PolarHBondContact O-N 2.86Å
536	D	59.7	Low	62.4	Low	87 Å²	87	106.7 Å²	106.7	47%	0.465	54%	0.544	S	S	.	.	H	α-helix	trans	-69	-39.3	174.5	-63.7	-24.9	0	0	0	108.4	M532 S539 E540	M532-D536 PolarHBondContact O-N 2.82Å; D536-S539 PolarHBondContact O-N 3.5Å; D536-S539 VanDerWaalsContact O-N 3.12Å; D536-S539 PolarHBondContact O-OG 3.01Å; D536-E540 PolarHBondContact O-N 2.89Å
537	I	60	Low	60.8	Low	99 Å²	99	104.8 Å²	104.8	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-59	-50.7	169.1	-65.6	165.2	0	0	0	111.9	E533 K535 S539 E540 E541	E533-I537 WeakPolarHBondContact O-CD1 3.43Å; E533-I537 VanDerWaalsContact O-CG1 3.28Å; E533-I537 WeakPolarHBondContact O-CG1 3.46Å; E533-I537 PolarHBondContact O-N 3.21Å; K535-I537 VanDerWaalsContact C-N 3.32Å; I537-S539 PolarHBondContact O-N 2.71Å; I537-E540 VanDerWaalsContact O-N 3.12Å; I537-E540 PolarHBondContact O-N 3.49Å; I537-E541 PolarHBondContact O-N 3Å
538	D	58.3	Low	58.8	Low	94 Å²	94	109.8 Å²	109.8	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-54.4	-22.9	175.7	-64.6	-30.8	0	0	0	112.6	S534 K535	S534-D538 PolarHBondContact O-N 3.35Å; K535-D538 PolarHBondContact O-N 3.1Å
539	S	57.7	Low	57.1	Low	61 Å²	61	110 Å²	110	43%	0.427	59%	0.592	S	S	.	*	H	α-helix	trans	-94.2	-30.6	179.7	74.9	0	0	0	0	114.2	K535 D536 I537 M542 E543	K535-S539 PolarHBondContact O-N 2.86Å; D536-S539 PolarHBondContact O-N 3.5Å; D536-S539 VanDerWaalsContact O-N 3.12Å; D536-S539 PolarHBondContact O-OG 3.01Å; I537-S539 PolarHBondContact O-N 2.71Å; S539-M542 PolarHBondContact O-N 2.99Å; S539-E543 PolarHBondContact O-N 3.12Å; S539-E543 VanDerWaalsContact O-N 3.11Å
540	E	58.1	Low	55.1	Low	139 Å²	139	110.6 Å²	110.6	65%	0.65	61%	0.605	S	S	*	*	H	α-helix	trans	-69.7	-36.9	176.6	-116.8	179.5	164.6	0	0	111.7	D536 I537 M542 E543 L544	D536-E540 PolarHBondContact O-N 2.89Å; I537-E540 VanDerWaalsContact O-N 3.12Å; I537-E540 PolarHBondContact O-N 3.49Å; E540-M542 VanDerWaalsContact C-N 3.26Å; E540-M542 PolarHBondContact O-N 3.3Å; E540-E543 PolarHBondContact O-N 3.42Å; E540-L544 PolarHBondContact O-N 3.4Å
541	E	57	Low	53.3	Low	137 Å²	137	113.2 Å²	113.2	64%	0.64	62%	0.619	S	S	*	*	H	α-helix	trans	-61.3	-35.7	170.2	-71.9	-169.2	137.7	0	0	111.8	I537 L544 E545	I537-E541 PolarHBondContact O-N 3Å; E541-L544 PolarHBondContact O-N 3.22Å; E541-E545 PolarHBondContact O-N 3.12Å; E541-E545 VanDerWaalsContact O-N 3.12Å
542	M	53.8	Low	52.4	Low	120 Å²	120	114.4 Å²	114.4	59%	0.591	63%	0.628	S	S	*	*	H	α-helix	trans	-76.3	-26.6	-178.2	-160.3	178.8	-58.4	0	0	113.6	S539 E540 N546	S539-M542 PolarHBondContact O-N 2.99Å; E540-M542 VanDerWaalsContact C-N 3.26Å; E540-M542 PolarHBondContact O-N 3.3Å; M542-N546 PolarHBondContact O-ND2 2.84Å
543	E	54.9	Low	51.2	Low	162 Å²	162	116.6 Å²	116.6	76%	0.757	65%	0.648	S	S	*	*	H	α-helix	trans	-76.4	-32	168.8	-68.7	-155	151.2	0	0	112	S539 E540 N546	S539-E543 PolarHBondContact O-N 3.12Å; S539-E543 VanDerWaalsContact O-N 3.11Å; E540-E543 PolarHBondContact O-N 3.42Å; E543-N546 PolarHBondContact O-N 3.11Å
544	L	51.9	Low	49.5	Very low	127 Å²	127	115.4 Å²	115.4	67%	0.665	66%	0.659	S	S	*	*	H	α-helix	trans	-64.4	-45.2	174.2	-90.9	159.6	0	0	0	112.8	E540 E541 N546 S547	E540-L544 PolarHBondContact O-N 3.4Å; E541-L544 PolarHBondContact O-N 3.22Å; L544-N546 PolarHBondContact O-N 3.18Å; L544-S547 WeakPolarHBondContact O-CB 3.28Å; L544-S547 PolarHBondContact O-N 3.12Å; L544-S547 VanDerWaalsContact O-N 3.09Å
545	E	50.2	Low	48	Very low	170 Å²	170	116.8 Å²	116.8	79%	0.794	67%	0.674	S	S	*	*	H	α-helix	trans	-60.3	-25.1	175.2	-75.9	-159.5	131	0	0	113.4	E541 S547	E541-E545 PolarHBondContact O-N 3.12Å; E541-E545 VanDerWaalsContact O-N 3.12Å; E545-S547 VanDerWaalsContact C-N 3.32Å; E545-S547 PolarHBondContact O-N 3.33Å
546	N	50.7	Low	46.8	Very low	138 Å²	138	119.3 Å²	119.3	74%	0.738	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-1.6	178.4	-82	-81.9	0	0	0	114.2	M542 E543 L544	M542-N546 PolarHBondContact O-ND2 2.84Å; E543-N546 PolarHBondContact O-N 3.11Å; L544-N546 PolarHBondContact O-N 3.18Å
547	S	46.3	Very low	45.7	Very low	89 Å²	89	120.3 Å²	120.3	62%	0.622	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-37.1	179	-175.7	0	0	0	0	113.7	L544 E545 G549	L544-S547 WeakPolarHBondContact O-CB 3.28Å; L544-S547 PolarHBondContact O-N 3.12Å; L544-S547 VanDerWaalsContact O-N 3.09Å; E545-S547 VanDerWaalsContact C-N 3.32Å; E545-S547 PolarHBondContact O-N 3.33Å; S547-G549 PolarHBondContact O-N 3.17Å; S547-G549 VanDerWaalsContact O-N 3.14Å
548	D	37.1	Very low	44.3	Very low	148 Å²	148	120.7 Å²	120.7	79%	0.791	71%	0.712	S	S	*	*			trans	-94.9	60.2	-166.1	-78.9	-15.9	0	0	0	114.2	A550	D548-A550 PolarHBondContact O-N 3.29Å
549	G	34.7	Very low	43.2	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	73%	0.728	S	S	*	*			trans	-92.5	41.2	-177.4	0	0	0	0	0	117.1	S547	S547-G549 PolarHBondContact O-N 3.17Å; S547-G549 VanDerWaalsContact O-N 3.14Å
550	A	31.7	Very low	42	Very low	88 Å²	88	126.2 Å²	126.2	73%	0.727	73%	0.734	S	S	*	*			trans	-149	108.6	-178.6	0	0	0	0	0	116.5	D548	D548-A550 PolarHBondContact O-N 3.29Å
551	L	32.3	Very low	40.9	Very low	164 Å²	164	126.8 Å²	126.8	86%	0.859	74%	0.741	S	S	*	*			trans	-154.2	159	169.6	-89.4	121.4	0	0	0	110.1
552	P	51.3	Low	39.9	Very low	108 Å²	108	126.5 Å²	126.5	70%	0.701	74%	0.743	S	S	*	*			cis	-127.1	-157	-48.9	34.4	-14.3	0	0	0	109.8
553	P	40.2	Very low	39.2	Very low	124 Å²	124	127.4 Å²	127.4	81%	0.805	75%	0.746	S	S	*	*				-148.1	173.4	79.8	37.8	-17.5	0	0	0	116.7
554	A	30.6	Very low	38.5	Very low	98 Å²	98	125 Å²	125	81%	0.81	74%	0.738	S	S	*	*			trans	-36.9	162	177.5	0	0	0	0	0	118.4
555	A	32.4	Very low	38	Very low	83 Å²	83	125.3 Å²	125.3	69%	0.686	74%	0.74	S	S	*	*			cis	-161.7	166.2	29.4	0	0	0	0	0	114.6
556	E	34.8	Very low	37.5	Very low	190 Å²	190	124.3 Å²	124.3	89%	0.888	74%	0.74	S	S	*	*			trans	48.7	145.6	152.1	-66.2	174.3	170.4	0	0	121.3
557	S	36.5	Very low	37	Very low	109 Å²	109	125 Å²	125	76%	0.762	74%	0.739	S	S	*	*			cis	-176.3	172.3	-20	72.8	0	0	0	0	106.9
558	C	30.2	Very low	36.6	Very low	106 Å²	106	130.7 Å²	130.7	72%	0.716	75%	0.753	S	S	*	*			cis	-164.2	169.7	-5.1	-149	0	0	0	0	109.8
559	F	34.8	Very low	36.7	Very low	193 Å²	193	131.2 Å²	131.2	85%	0.846	75%	0.751	S	S	*	*			trans	67.8	146.9	162.4	-101.2	-134.4	0	0	0	117.9
560	S	32.7	Very low	36.8	Very low	78 Å²	78	135.4 Å²	135.4	55%	0.545	75%	0.749	S	S	.	*			cis	-170.2	155.6	2.4	59.2	0	0	0	0	114.5
561	L	35.2	Very low	36.8	Very low	151 Å²	151	141 Å²	141	79%	0.791	76%	0.758	S	S	*	*			trans	63.4	139.8	148.1	-64.9	160.6	0	0	0	117
562	L	36.4	Very low	37.2	Very low	132 Å²	132	138.2 Å²	138.2	69%	0.691	75%	0.749	S	S	*	*			cis	-148	171.3	17.2	-65.3	171.7	0	0	0	107.5
563	Q	38.7	Very low	36.3	Very low	139 Å²	139	140.2 Å²	140.2	65%	0.65	75%	0.754	S	S	*	*			cis	-167.5	155.9	-10.5	-109.6	176.4	-92.8	0	0	108.2
564	D	40.1	Very low	35.9	Very low	112 Å²	112	141.8 Å²	141.8	60%	0.599	76%	0.755	S	S	*	*			trans	44.2	146.5	132.2	-47	2.1	0	0	0	121.7
565	D	41.2	Very low	36.1	Very low	133 Å²	133	146.1 Å²	146.1	71%	0.711	76%	0.759	S	S	*	*			cis	-168.1	-177.1	-7.1	-107.3	-22.5	0	0	0	112.1
566	D	39.7	Very low	35.8	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	76%	0.764	S	S	*	*			trans	73.6	142.9	162.9	-57	-23.9	0	0	0	120.9
567	E	40.6	Very low	35.7	Very low	154 Å²	154	146.5 Å²	146.5	72%	0.72	76%	0.763	S	S	*	*			cis	-167.8	137	-33.8	-170.2	175.7	-132.5	0	0	108.7
568	F	37.2	Very low	35.4	Very low	207 Å²	207	146.4 Å²	146.4	91%	0.908	76%	0.762	S	S	*	*			trans	-172.4	118.6	142.2	-122.1	-77.9	0	0	0	111.7
569	E	39.6	Very low	35.5	Very low	160 Å²	160	150.8 Å²	150.8	75%	0.748	77%	0.772	S	S	*	*			trans	-66.8	139	172.4	-65.4	177.8	141.7	0	0	110.6
570	E	36	Very low	35.3	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	77%	0.766	S	S	*	*			cis	88.9	129.6	48.4	-167.7	173.5	-109	0	0	114
571	F	31.6	Very low	35.4	Very low	206 Å²	206	149.8 Å²	149.8	90%	0.904	78%	0.782	S	S	*	*			trans	-154.8	134	169.4	-100.3	-78.1	0	0	0	108.4
572	P	42.1	Very low	35	Very low	105 Å²	105	150 Å²	150	68%	0.682	78%	0.783	S	S	*	*			trans	-138	142.2	141.2	33.4	-18.8	0	0	0	114.7
573	D	32.1	Very low	34.8	Very low	150 Å²	150	151.4 Å²	151.4	80%	0.802	79%	0.786	S	S	*	*			trans	-0.3	138.1	150.1	-45.3	-34.4	0	0	0	119.6
574	D	30.7	Very low	34.6	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	79%	0.789	S	S	*	*				-174.9	170.1	98.1	-124.2	-32.5	0	0	0	116.1
575	E	34.8	Very low	34.2	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	80%	0.798	S	S	*	*			trans	96.4	147.3	166	-60.5	-147.3	128.9	0	0	121.1
576	C	26.8	Very low	33.9	Very low	118 Å²	118	153.6 Å²	153.6	80%	0.797	81%	0.806	S	S	*	*			trans	-116.2	164.2	-162.8	-64.3	0	0	0	0	113.5
577	L	32.4	Very low	33.5	Very low	163 Å²	163	152.2 Å²	152.2	85%	0.853	80%	0.799	S	S	*	*				-176.5	126	126	-101.9	166.6	0	0	0	115.8
578	S	30.7	Very low	33.2	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	81%	0.805	S	S	*	*			trans	44	135.5	146.3	60.7	0	0	0	0	123.7
579	E	31.2	Very low	32.8	Very low	198 Å²	198	145.7 Å²	145.7	93%	0.925	79%	0.793	S	S	*	*			trans	-65	142.1	167	-57.6	169.5	106	0	0	114.2
580	A	31.7	Very low	32.6	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	79%	0.79	S	S	*	*			trans	-158.4	148.4	150.3	0	0	0	0	0	112.4
581	D	33.7	Very low	32.3	Very low	162 Å²	162	146.9 Å²	146.9	87%	0.866	80%	0.796	S	S	*	*			trans	64	137.5	161.9	-66.5	-22.8	0	0	0	122.8
582	L	28.4	Very low	32.2	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	79%	0.794	S	S	*	*			trans	-83.7	172.1	-179.7	-88	67.2	0	0	0	112.8
583	Q	32.1	Very low	31.8	Very low	162 Å²	162	148.5 Å²	148.5	76%	0.757	80%	0.802	S	S	*	*			trans	78.6	100.8	152	-80.4	171.1	3.4	0	0	119.3
584	N	34.1	Very low	31.8	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	80%	0.801	S	S	*	*				142.5	142	111	-79.6	-30.7	0	0	0	114.5
585	T	31.4	Very low	31.8	Very low	127 Å²	127	153.4 Å²	153.4	78%	0.779	81%	0.809	S	S	*	*			trans	54	107.8	159	52.2	0	0	0	0	117
586	L	34.5	Very low	31.7	Very low	169 Å²	169	153.2 Å²	153.2	89%	0.885	81%	0.808	S	S	*	*				-153.1	112	76.7	-93.5	155.9	0	0	0	114.4
587	D	32.6	Very low	32.1	Very low	119 Å²	119	153.3 Å²	153.3	64%	0.636	81%	0.81	S	S	*	*			trans	-4.2	125.9	149.5	-168.1	-0.6	0	0	0	120.7	S589	D587-S589 WeakPolarHBondContact OD1-CB 3.42Å; D587-S589 PolarHBondContact OD1-N 3.48Å; D587-S589 PolarHBondContact OD1-OG 3.09Å; D587-S589 PolarHBondContact OD2-OG 3.43Å
588	P	33.4	Very low	31.9	Very low	132 Å²	132	149.2 Å²	149.2	86%	0.857	81%	0.807	S	S	*	*			trans	-122.7	68.1	156.6	39	-26.3	0	0	0	113.4
589	S	29.3	Very low	32	Very low	92 Å²	92	152 Å²	152	64%	0.643	81%	0.812	S	S	*	*			trans	-104.9	74.7	179.4	59.1	0	0	0	0	115.1	D587	D587-S589 WeakPolarHBondContact OD1-CB 3.42Å; D587-S589 PolarHBondContact OD1-N 3.48Å; D587-S589 PolarHBondContact OD1-OG 3.09Å; D587-S589 PolarHBondContact OD2-OG 3.43Å
590	V	34.5	Very low	32	Very low	115 Å²	115	149 Å²	149	70%	0.697	80%	0.8	S	S	*	*			trans	-140.6	149.7	162	-169.5	0	0	0	0	108.8
591	W	30.9	Very low	32.1	Very low	237 Å²	237	154.3 Å²	154.3	90%	0.898	81%	0.809	S	S	*	*	S	Bend	trans	80.1	51.5	177.3	-45.5	105	0	0	0	117.4
592	D	28.4	Very low	31.8	Very low	163 Å²	163	153.5 Å²	153.5	87%	0.872	80%	0.8	S	S	*	*			trans	-161.7	94.5	138.5	-110.6	-22.5	0	0	0	111.2
593	E	34	Very low	32.1	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	79%	0.792	S	S	*	*			trans	-171.5	141.2	153.7	-117.3	175.8	-146.2	0	0	112.7
594	N	32.4	Very low	32.3	Very low	145 Å²	145	154.5 Å²	154.5	78%	0.775	80%	0.801	S	S	*	*			trans	105.8	84.3	169.2	-60.9	-69.9	0	0	0	118.6
595	W	30.4	Very low	32.3	Very low	265 Å²	265	152.6 Å²	152.6	100%	1.004	80%	0.804	S	S	*	*			trans	-139.4	78.9	150.9	-95.8	82.8	0	0	0	110
596	E	32.3	Very low	32.7	Very low	185 Å²	185	153.6 Å²	153.6	86%	0.864	80%	0.798	S	S	*	*	S	Bend	trans	-162.4	146.8	154.9	-124.7	174.3	-145.4	0	0	114.8
597	S	35.1	Very low	33.1	Very low	120 Å²	120	154.3 Å²	154.3	84%	0.839	80%	0.797	S	S	*	*			trans	57.3	112.7	172.1	67.9	0	0	0	0	118.2
598	G	29.7	Very low	33.1	Very low	77 Å²	77	157 Å²	157	79%	0.794	81%	0.81	S	S	*	*			trans	-98.6	178	178.2	0	0	0	0	0	114.8
599	I	32.8	Very low	33.3	Very low	164 Å²	164	165.2 Å²	165.2	84%	0.841	82%	0.824	S	S	*	*			trans	-151.3	135	167	-100.3	156	0	0	0	108.9
600	M	29.5	Very low	33.5	Very low	137 Å²	137	168.9 Å²	168.9	68%	0.675	83%	0.833	S	S	*	*			trans	32.4	107.9	155.9	-58.4	-71.2	-73.3	0	0	120.3	E602	M600-E602 HydrophobicContact CE-CG 3.82Å
601	E	34	Very low	33.4	Very low	200 Å²	200	171.7 Å²	171.7	94%	0.935	84%	0.84	S	S	*	*			trans	-125.7	87	147.6	-80.9	-162.2	134.6	0	0	111.2	D603	E601-D603 VanDerWaalsContact C-N 3.33Å; E601-D603 PolarHBondContact O-N 3.14Å
602	E	28.7	Very low	33.6	Very low	144 Å²	144	168.1 Å²	168.1	67%	0.673	84%	0.837	S	S	*	*			trans	-87.5	49	170	-72.9	-165.2	112.3	0	0	112.6	M600	M600-E602 HydrophobicContact CE-CG 3.82Å
603	D	34.8	Very low	33.9	Very low	119 Å²	119	168.4 Å²	168.4	64%	0.636	84%	0.835	S	S	*	*			trans	-140.9	44.6	-175.1	-136.6	2.3	0	0	0	118	E601	E601-D603 VanDerWaalsContact C-N 3.33Å; E601-D603 PolarHBondContact O-N 3.14Å
604	F	34.9	Very low	33.9	Very low	218 Å²	218	167.6 Å²	167.6	96%	0.956	83%	0.834	S	S	*	*	S	Bend	trans	-125.3	4.5	161.3	-127	-93.9	0	0	0	114.9
605	A	34.6	Very low	34	Very low	95 Å²	95	169.1 Å²	169.1	79%	0.785	84%	0.838	S	S	*	*	S	Bend	trans	-110.9	7.7	-174.6	0	0	0	0	0	114.7
606	K	39.2	Very low	34.2	Very low	148 Å²	148	162.3 Å²	162.3	64%	0.643	83%	0.827	S	S	*	*	S	Bend	trans	-111.1	-3.2	-173.2	-88.7	173	-175.9	151.2	0	116.4
607	Q	42.9	Very low	34.4	Very low	185 Å²	185	160.5 Å²	160.5	86%	0.864	82%	0.824	S	S	*	*	S	Bend	trans	-99.7	15.3	178.4	-65.2	-169.6	-0.8	0	0	114.5
608	L	34.2	Very low	34.3	Very low	174 Å²	174	163.9 Å²	163.9	91%	0.911	82%	0.822	S	S	*	*			trans	-131.3	46.9	175.6	-75.3	171.8	0	0	0	112.1
609	R	36.5	Very low	34.7	Very low	306 Å²	306	171.8 Å²	171.8	100%	1.155	83%	0.825	S	S	*	*			trans	-141.4	0	162.1	-75.7	-169	-176.1	173.5	3.3	109.4

Retrieved 609 of 609 residues in 265.3 ms (Link to these results)

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