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Histidine-rich glycoprotein

Plasma glycoprotein that binds a number of ligands such as heme, heparin, heparan sulfate, thrombospondin, plasminogen, and divalent metal ions. Inhibits rosette formation. Acts as an adapter protein and implicated in regulating many processes such as immune complex and pathogen clearance, cell adhesion, angiogenesis, coagulation and fibrinolysis. Mediates clearance of necrotic cells through enhancing the phagocytosis of necrotic cells in a heparan sulfate-dependent pathway. This process can be regulated by the presence of certain HRG ligands such as heparin and zinc ions. Binds to IgG subclasses of immunoglobins containing kappa and lambda light chains with different affinities regulating their clearance and inhibiting the formation of insoluble immune complexes. Tethers plasminogen to the cell surface. Binds T-cells and alters the cell morphology. Modulates angiogenesis by blocking the CD6-mediated antiangiongenic effect of thrombospondins, THBS1 and THBS2 (By similarity).

AlphaFold DB , UniProt , Accession Q99PS8, Species RAT (Rattus norvegicus, Rat), Gene Hrg, Length 525 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	59.9	Low	59	Low	203 Å²	203	113.4 Å²	113.4	100%	1	61%	0.614	S	S	*	*				0	-50.5	0	-65.3	-130.4	-75.8	0	0	113.4	V3 L4 T5	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.05Å; M1-T5 PolarHBondContact O-N 3.15Å; M1-T5 PolarHBondContact O-OG1 3.06Å
2	K	57.2	Low	58	Low	182 Å²	182	110.6 Å²	110.6	79%	0.791	60%	0.604	S	S	*	*	H	α-helix	trans	-61.4	-30.6	-178.4	-68.5	179	176.8	175.9	0	116.2	T5 T6	K2-T5 WeakPolarHBondContact CA-OG1 3.34Å; K2-T5 PolarHBondContact O-OG1 3.12Å; K2-T6 PolarHBondContact O-N 3.48Å; K2-T6 PolarHBondContact O-OG1 3.42Å
3	V	64.1	Low	57.1	Low	120 Å²	120	111.1 Å²	111.1	73%	0.727	61%	0.605	S	S	*	*	H	α-helix	trans	-76.3	-34.1	178.7	-177.5	0	0	0	0	111.7	M1 T6 A7	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.34Å; V3-T6 WeakPolarHBondContact CA-OG1 2.88Å; V3-T6 PolarHBondContact O-OG1 2.81Å; V3-T6 VanDerWaalsContact O-OG1 3.06Å; V3-A7 WeakPolarHBondContact O-CB 3.44Å; V3-A7 PolarHBondContact O-N 3.15Å
4	L	60.8	Low	56.3	Low	125 Å²	125	112.5 Å²	112.5	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-72.6	-36.9	177.5	-109	138	0	0	0	111.6	M1 L8	M1-L4 PolarHBondContact O-N 3.05Å; L4-L8 HydrophobicContact CD2-CD1 4.44Å; L4-L8 WeakPolarHBondContact O-CB 2.93Å; L4-L8 PolarHBondContact O-N 2.89Å
5	T	60.1	Low	55.6	Low	81 Å²	81	112.5 Å²	112.5	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-68.8	-35.4	175.1	46.6	0	0	0	0	112.5	M1 K2 L9	M1-T5 PolarHBondContact O-N 3.15Å; M1-T5 PolarHBondContact O-OG1 3.06Å; K2-T5 WeakPolarHBondContact CA-OG1 3.34Å; K2-T5 PolarHBondContact O-OG1 3.12Å; T5-L9 WeakPolarHBondContact O-CB 3.17Å; T5-L9 PolarHBondContact O-N 3.46Å
6	T	60.3	Low	55.1	Low	76 Å²	76	110 Å²	110	47%	0.466	61%	0.609	S	S	.	*	H	α-helix	trans	-74	-37.9	175.6	33.7	0	0	0	0	111.9	K2 V3 L9 L10	K2-T6 PolarHBondContact O-N 3.48Å; K2-T6 PolarHBondContact O-OG1 3.42Å; V3-T6 WeakPolarHBondContact CA-OG1 2.88Å; V3-T6 PolarHBondContact O-OG1 2.81Å; V3-T6 VanDerWaalsContact O-OG1 3.06Å; T6-L9 PolarHBondContact O-N 3.38Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 WeakPolarHBondContact O-CD1 3.11Å; T6-L10 WeakPolarHBondContact O-CG 3.35Å; T6-L10 PolarHBondContact O-N 3.36Å
7	A	59.8	Low	55.2	Low	48 Å²	48	110.4 Å²	110.4	40%	0.397	61%	0.605	S	S	.	*	H	α-helix	trans	-65.7	-42.6	172.2	0	0	0	0	0	112.2	V3 L10 V11	V3-A7 WeakPolarHBondContact O-CB 3.44Å; V3-A7 PolarHBondContact O-N 3.15Å; A7-L10 PolarHBondContact O-N 3.12Å; A7-V11 WeakPolarHBondContact O-CB 2.96Å; A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.39Å; A7-V11 PolarHBondContact O-N 2.82Å
8	L	59.2	Low	55.9	Low	111 Å²	111	108.9 Å²	108.9	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-62.7	-42.7	173.2	-114.2	88.4	0	0	0	111.4	L4 L10 V11 T12	L4-L8 HydrophobicContact CD2-CD1 4.44Å; L4-L8 WeakPolarHBondContact O-CB 2.93Å; L4-L8 PolarHBondContact O-N 2.89Å; L8-L10 PolarHBondContact O-N 3.42Å; L8-V11 PolarHBondContact O-N 3.2Å; L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 VanDerWaalsContact O-CG2 3.27Å; L8-T12 WeakPolarHBondContact O-CG2 3.29Å; L8-T12 PolarHBondContact O-N 3.37Å; L8-T12 PolarHBondContact O-OG1 3.28Å
9	L	57.2	Low	57.3	Low	112 Å²	112	104.3 Å²	104.3	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-59.9	-44.8	175.4	-103.4	144.2	0	0	0	111.5	T5 T6 T12 L13	T5-L9 WeakPolarHBondContact O-CB 3.17Å; T5-L9 PolarHBondContact O-N 3.46Å; T6-L9 PolarHBondContact O-N 3.38Å; L9-T12 WeakPolarHBondContact CA-OG1 3.46Å; L9-T12 PolarHBondContact O-N 3Å; L9-T12 PolarHBondContact O-OG1 3.47Å; L9-L13 VanDerWaalsContact O-CB 3.26Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 PolarHBondContact O-N 2.93Å
10	L	57.5	Low	58.9	Low	105 Å²	105	102.3 Å²	102.3	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-39.6	176.8	-77.3	160	0	0	0	112.7	T6 A7 L8 L13 Q14	T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 WeakPolarHBondContact O-CD1 3.11Å; T6-L10 WeakPolarHBondContact O-CG 3.35Å; T6-L10 PolarHBondContact O-N 3.36Å; A7-L10 PolarHBondContact O-N 3.12Å; L8-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-Q14 WeakPolarHBondContact O-CB 3.37Å; L10-Q14 WeakPolarHBondContact O-CG 3.23Å; L10-Q14 PolarHBondContact O-N 2.91Å
11	V	52.6	Low	60.4	Low	84 Å²	84	101.2 Å²	101.2	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-70.1	-37.4	176.3	172.5	0	0	0	0	111.4	A7 L8 L13 Q14 C15	A7-V11 WeakPolarHBondContact O-CB 2.96Å; A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.39Å; A7-V11 PolarHBondContact O-N 2.82Å; L8-V11 PolarHBondContact O-N 3.2Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-Q14 PolarHBondContact O-N 2.89Å; V11-C15 PolarHBondContact O-N 3.05Å
12	T	47.3	Very low	61.9	Low	80 Å²	80	93 Å²	93	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-69.6	-30.6	172.2	56.8	0	0	0	0	112.5	L8 L9 S16	L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 VanDerWaalsContact O-CG2 3.27Å; L8-T12 WeakPolarHBondContact O-CG2 3.29Å; L8-T12 PolarHBondContact O-N 3.37Å; L8-T12 PolarHBondContact O-OG1 3.28Å; L9-T12 WeakPolarHBondContact CA-OG1 3.46Å; L9-T12 PolarHBondContact O-N 3Å; L9-T12 PolarHBondContact O-OG1 3.47Å; T12-S16 PolarHBondContact O-N 2.79Å; T12-S16 PolarHBondContact O-OG 3.29Å
13	L	46.3	Very low	63.7	Low	117 Å²	117	87.4 Å²	87.4	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-75.8	-34.9	175.9	-147.4	75	0	0	0	111.7	L9 L10 V11 C15 S16	L9-L13 VanDerWaalsContact O-CB 3.26Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 3.3Å; V11-L13 VanDerWaalsContact C-N 3.33Å; L13-C15 VanDerWaalsContact C-N 3.34Å; L13-S16 WeakPolarHBondContact CA-OG 3.5Å; L13-S16 PolarHBondContact O-N 2.95Å; L13-S16 PolarHBondContact O-OG 2.97Å
14	Q	45.6	Very low	65.1	Low	131 Å²	131	81.8 Å²	81.8	61%	0.612	48%	0.48	S	S	*	.	H	α-helix	trans	-73.7	-22.7	173.6	-79.3	176.5	-37.9	0	0	113.1	L10 V11 S16 H17	L10-Q14 WeakPolarHBondContact O-CB 3.37Å; L10-Q14 WeakPolarHBondContact O-CG 3.23Å; L10-Q14 PolarHBondContact O-N 2.91Å; V11-Q14 PolarHBondContact O-N 2.89Å; Q14-S16 VanDerWaalsContact C-N 3.35Å; Q14-H17 PolarHBondContact O-CD2 2.79Å
15	C	45.5	Very low	66.8	Low	112 Å²	112	79.9 Å²	79.9	76%	0.757	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	4.2	170.7	-74.2	0	0	0	0	114.2	V11 L13	V11-C15 PolarHBondContact O-N 3.05Å; L13-C15 VanDerWaalsContact C-N 3.34Å
16	S	48.6	Very low	68.4	Low	73 Å²	73	79.5 Å²	79.5	51%	0.51	48%	0.476	S	S	.	.			trans	-125.2	46.3	179	47.2	0	0	0	0	112.3	T12 L13 Q14 A18	T12-S16 PolarHBondContact O-N 2.79Å; T12-S16 PolarHBondContact O-OG 3.29Å; L13-S16 WeakPolarHBondContact CA-OG 3.5Å; L13-S16 PolarHBondContact O-N 2.95Å; L13-S16 PolarHBondContact O-OG 2.97Å; Q14-S16 VanDerWaalsContact C-N 3.35Å; S16-A18 PolarHBondContact O-N 3.25Å
17	H	55.9	Low	70	Confident	117 Å²	117	76.2 Å²	76.2	54%	0.542	46%	0.456	S	S	.	.			trans	-67.3	74.7	163.9	-71.7	-61.1	0	0	0	109.6	Q14 R494	Q14-H17 PolarHBondContact O-CD2 2.79Å; H17-R494 PolarHBondContact O-NH1 3.29Å
18	A	67.5	Low	71.7	Confident	83 Å²	83	75.8 Å²	75.8	69%	0.686	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-54.5	141.7	168.9	0	0	0	0	0	108.8	S16 S20	S16-A18 PolarHBondContact O-N 3.25Å; A18-S20 PolarHBondContact O-N 3Å
19	L	83.6	Confident	73.4	Confident	22 Å²	22	74.1 Å²	74.1	12%	0.115	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-50.9	131.4	174.8	-65	173.3	0	0	0	109	P21 H57 D59 Y68 R494 P497	L19-P21 VanDerWaalsContact O-CD 3.27Å; L19-P21 WeakPolarHBondContact O-CD 3Å; L19-H57 HydrophobicContact CB-CB 4.1Å; L19-D59 HydrophobicContact CD2-CB 3.64Å; L19-Y68 HydrophobicContact CD1-CD1 4.23Å; L19-Y68 HydrophobicContact CD1-CD2 4.01Å; L19-Y68 HydrophobicContact CD1-CE1 4.22Å; L19-Y68 HydrophobicContact CD1-CE2 4.04Å; L19-Y68 HydrophobicContact CD1-CG 4.13Å; L19-Y68 HydrophobicContact CD2-CD2 3.95Å; L19-Y68 HydrophobicContact CD2-CE2 3.41Å; L19-Y68 VanDerWaalsContact CD2-CE2 3.41Å; L19-Y68 HydrophobicContact CG-CE2 4.36Å; L19-R494 HydrophobicContact CD2-CB 4.48Å; L19-P497 HydrophobicContact CB-CG 4.29Å; L19-P497 HydrophobicContact CD1-CB 4.32Å; L19-P497 VanDerWaalsContact CD1-CD 3.47Å; L19-P497 HydrophobicContact CD1-CG 3.6Å
20	S	88.5	Confident	75.2	Confident	64 Å²	64	69.5 Å²	69.5	45%	0.448	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118	-176	-65.6	0	0	0	0	109.3	A18 H57 L58	A18-S20 PolarHBondContact O-N 3Å; S20-H57 CarbonylContact O-C 3.56Å; S20-H57 WeakPolarHBondContact O-CA 3.26Å; S20-L58 PolarHBondContact N-O 2.65Å; S20-L58 PolarHBondContact O-N 3.07Å
21	P	91.1	Very high	77	Confident	79 Å²	79	64.5 Å²	64.5	51%	0.513	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	142.6	172	-21.9	34	0	0	0	110.3	L19 S501	L19-P21 VanDerWaalsContact O-CD 3.27Å; L19-P21 WeakPolarHBondContact O-CD 3Å; P21-S501 WeakPolarHBondContact CB-OG 3.42Å
22	T	91.8	Very high	79.1	Confident	32 Å²	32	64.9 Å²	64.9	20%	0.196	39%	0.386	C	S	.	.			trans	-129.5	164.8	176.8	-163.7	0	0	0	0	111.6	S27 A56 L58 S501	T22-S27 VanDerWaalsContact CG2-OG 3.3Å; T22-S27 WeakPolarHBondContact CG2-OG 3.35Å; T22-A56 HydrophobicContact CG2-CB 3.45Å; T22-A56 VanDerWaalsContact CG2-CB 3.45Å; T22-A56 WeakPolarHBondContact CG2-O 3.42Å; T22-A56 PolarHBondContact N-O 3.05Å; T22-L58 HydrophobicContact CG2-CD2 4.4Å; T22-S501 PolarHBondContact O-OG 3.42Å
23	N	93.7	Very high	81.3	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.342	39%	0.386	S	S	.	.			trans	-74.9	127	-179.3	179.6	-57.9	0	0	0	109.9	D25 A26 S27	N23-D25 WeakPolarHBondContact OD1-CA 3.37Å; N23-D25 WeakPolarHBondContact OD1-CB 3.28Å; N23-D25 PolarHBondContact OD1-N 2.85Å; N23-A26 HydrophobicContact CB-CB 3.93Å; N23-A26 PolarHBondContact O-N 3.5Å; N23-A26 PolarHBondContact OD1-N 3.03Å; N23-S27 WeakPolarHBondContact O-CB 3.37Å; N23-S27 PolarHBondContact O-N 3.39Å; N23-S27 PolarHBondContact O-OG 3.15Å
24	C	95.2	Very high	83.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-40.1	-177.1	-89.6	0	0	0	0	112.9	S27 K28 V53 S503 C504 G506	C24-S27 PolarHBondContact O-N 3.27Å; C24-K28 PolarHBondContact O-N 2.03Å; C24-V53 HydrophobicContact CB-CB 3.94Å; C24-V53 HydrophobicContact CB-CG1 4.16Å; C24-V53 WeakPolarHBondContact CB-O 3.41Å; C24-V53 PolarHBondContact SG-O 2.99Å; C24-S503 PolarHBondContact N-O 3.29Å; C24-C504 HydrophobicContact CB-CB 4.03Å; C24-C504 WeakPolarHBondContact CB-SG 3.29Å; C24-C504 WeakPolarHBondContact SG-CB 3.27Å; C24-C504 CovalentContact SG-SG 2.02Å; C24-C504 PolarHBondContact SG-SG 3.34Å; C24-G506 VanDerWaalsContact CB-N 3.35Å
25	D	94.5	Very high	86	Confident	85 Å²	85	54.9 Å²	54.9	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-39.6	177	-63.2	-42.9	0	0	0	111.5	N23 S27 K28 G506 K507	N23-D25 WeakPolarHBondContact OD1-CA 3.37Å; N23-D25 WeakPolarHBondContact OD1-CB 3.28Å; N23-D25 PolarHBondContact OD1-N 2.85Å; D25-S27 PolarHBondContact O-N 2.88Å; D25-K28 WeakPolarHBondContact O-CB 3.49Å; D25-K28 PolarHBondContact O-N 3.39Å; D25-G506 WeakPolarHBondContact OD1-CA 3.43Å; D25-K507 PolarHBondContact OD1-N 2.9Å
26	A	94.2	Very high	88.2	Confident	74 Å²	74	51.9 Å²	51.9	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-66.2	-28.4	175.2	0	0	0	0	0	112.6	N23	N23-A26 HydrophobicContact CB-CB 3.93Å; N23-A26 PolarHBondContact O-N 3.5Å; N23-A26 PolarHBondContact OD1-N 3.03Å
27	S	94.5	Very high	90.2	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-83.6	-12	179.5	-58.9	0	0	0	0	113.3	T22 N23 C24 D25 L30 A31	T22-S27 VanDerWaalsContact CG2-OG 3.3Å; T22-S27 WeakPolarHBondContact CG2-OG 3.35Å; N23-S27 WeakPolarHBondContact O-CB 3.37Å; N23-S27 PolarHBondContact O-N 3.39Å; N23-S27 PolarHBondContact O-OG 3.15Å; C24-S27 PolarHBondContact O-N 3.27Å; D25-S27 PolarHBondContact O-N 2.88Å; S27-L30 WeakPolarHBondContact O-CB 3.47Å; S27-L30 PolarHBondContact O-N 3.41Å; S27-L30 VanDerWaalsContact O-N 3.14Å; S27-A31 PolarHBondContact O-N 2.9Å
28	K	95.6	Very high	92	Very high	38 Å²	38	45.3 Å²	45.3	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-56.3	-47.7	-174	-173.4	-171.4	178.3	-155.7	0	114.4	C24 D25 L30 A31 E32 L50 V53 E509	C24-K28 PolarHBondContact O-N 2.03Å; D25-K28 WeakPolarHBondContact O-CB 3.49Å; D25-K28 PolarHBondContact O-N 3.39Å; K28-L30 PolarHBondContact O-N 2.99Å; K28-A31 WeakPolarHBondContact O-CB 2.98Å; K28-A31 PolarHBondContact O-N 2.58Å; K28-E32 WeakPolarHBondContact CE-OE1 3.33Å; K28-E32 IonicContact NZ-OE1 3.22Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.38Å; K28-L50 HydrophobicContact CG-CD2 3.99Å; K28-V53 HydrophobicContact CB-CG2 4.33Å; K28-E509 IonicContact NZ-OE1 3.14Å; K28-E509 PolarHBondContact NZ-OE1 2.77Å; K28-E509 IonicContact NZ-OE2 3.41Å; K28-E509 PolarHBondContact NZ-OE2 2.86Å
29	P	94.8	Very high	93.2	Very high	76 Å²	76	41.9 Å²	41.9	49%	0.494	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-27.8	179.9	-22.1	34.4	0	0	0	113.4	K33	P29-K33 WeakPolarHBondContact O-CG 3.11Å
30	L	94.6	Very high	93.3	Very high	15 Å²	15	44.9 Å²	44.9	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-73.7	-45.5	172.5	-178	78.9	0	0	0	110.4	S27 K28 E32 K33 V34 Y67 L117	S27-L30 WeakPolarHBondContact O-CB 3.47Å; S27-L30 PolarHBondContact O-N 3.41Å; S27-L30 VanDerWaalsContact O-N 3.14Å; K28-L30 PolarHBondContact O-N 2.99Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.23Å; L30-K33 WeakPolarHBondContact O-CB 3.43Å; L30-K33 PolarHBondContact O-N 3.26Å; L30-K33 VanDerWaalsContact O-N 3.13Å; L30-V34 HydrophobicContact CG-CG2 4.44Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.93Å; L30-Y67 HydrophobicContact CD2-CD1 3.28Å; L30-Y67 HydrophobicContact CD2-CD2 3.53Å; L30-Y67 HydrophobicContact CD2-CE1 3.31Å; L30-Y67 HydrophobicContact CD2-CE2 3.55Å; L30-Y67 HydrophobicContact CD2-CG 3.38Å; L30-Y67 VanDerWaalsContact CD2-CZ 3.43Å; L30-L117 HydrophobicContact CD1-CD1 3.84Å; L30-L117 HydrophobicContact CD1-CD2 3.83Å; L30-L117 HydrophobicContact CD1-CG 4.46Å
31	A	96.4	Very high	93.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-39.4	178.2	0	0	0	0	0	112.2	S27 K28 V34 L35 L50 V53 L69 L71	S27-A31 PolarHBondContact O-N 2.9Å; K28-A31 WeakPolarHBondContact O-CB 2.98Å; K28-A31 PolarHBondContact O-N 2.58Å; A31-V34 PolarHBondContact O-N 3.45Å; A31-L35 WeakPolarHBondContact O-CB 3.07Å; A31-L35 PolarHBondContact O-N 3.45Å; A31-L50 HydrophobicContact CB-CD2 3.89Å; A31-V53 HydrophobicContact CB-CG2 3.6Å; A31-L69 HydrophobicContact CB-CD1 4.37Å; A31-L71 HydrophobicContact CB-CD2 3.67Å
32	E	95.3	Very high	93	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-44.5	174	-71.6	170.8	171.6	0	0	111.8	K28 L30 L35 D36 L50	K28-E32 WeakPolarHBondContact CE-OE1 3.33Å; K28-E32 IonicContact NZ-OE1 3.22Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.38Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.23Å; E32-L35 PolarHBondContact O-N 2.94Å; E32-D36 PolarHBondContact O-N 3.16Å; E32-L50 HydrophobicContact CG-CD2 3.73Å
33	K	94.3	Very high	92.6	Very high	113 Å²	113	40.8 Å²	40.8	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-40.5	175.2	-68.9	177	-179.7	-176	0	112.4	P29 L30 L35 D36 L37 L117	P29-K33 WeakPolarHBondContact O-CG 3.11Å; L30-K33 WeakPolarHBondContact O-CB 3.43Å; L30-K33 PolarHBondContact O-N 3.26Å; L30-K33 VanDerWaalsContact O-N 3.13Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-D36 PolarHBondContact O-N 3.38Å; K33-L37 WeakPolarHBondContact O-CG 3.23Å; K33-L37 PolarHBondContact O-N 2.85Å; K33-L117 HydrophobicContact CB-CD2 3.78Å
34	V	94.9	Very high	92.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-43.9	174.5	166.9	0	0	0	0	110.4	L30 A31 L37 I38 L69 V105 A107 L117 V119	L30-V34 HydrophobicContact CG-CG2 4.44Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.93Å; A31-V34 PolarHBondContact O-N 3.45Å; V34-L37 WeakPolarHBondContact O-CB 3.47Å; V34-L37 PolarHBondContact O-N 3.21Å; V34-I38 HydrophobicContact CG1-CD1 4.1Å; V34-I38 WeakPolarHBondContact O-CG1 3.36Å; V34-I38 PolarHBondContact O-N 3.41Å; V34-L69 HydrophobicContact CG2-CD1 4.28Å; V34-V105 HydrophobicContact CG1-CB 4.29Å; V34-V105 HydrophobicContact CG1-CG1 3.49Å; V34-V105 VanDerWaalsContact CG1-CG1 3.49Å; V34-V105 HydrophobicContact CG1-CG2 4.5Å; V34-A107 HydrophobicContact CG2-CB 3.68Å; V34-L117 HydrophobicContact CG2-CD1 4.33Å; V34-L117 HydrophobicContact CG2-CD2 3.95Å; V34-L117 HydrophobicContact CG2-CG 4.47Å; V34-V119 HydrophobicContact CG1-CG2 4.13Å
35	L	94.6	Very high	92	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-38.2	179.5	-164.7	65.9	0	0	0	112.1	A31 E32 K33 I38 N39 F48 L50 L71 V73	A31-L35 WeakPolarHBondContact O-CB 3.07Å; A31-L35 PolarHBondContact O-N 3.45Å; E32-L35 PolarHBondContact O-N 2.94Å; K33-L35 VanDerWaalsContact C-N 3.32Å; L35-I38 PolarHBondContact O-N 3.35Å; L35-N39 WeakPolarHBondContact O-CB 3.31Å; L35-N39 PolarHBondContact O-N 3.27Å; L35-N39 PolarHBondContact O-ND2 3.25Å; L35-F48 HydrophobicContact CD1-CB 3.76Å; L35-F48 HydrophobicContact CD1-CD2 4.01Å; L35-F48 HydrophobicContact CD1-CG 4.41Å; L35-F48 HydrophobicContact CD2-CB 4.01Å; L35-F48 HydrophobicContact CG-CB 4.05Å; L35-L50 HydrophobicContact CD2-CB 3.81Å; L35-L50 VanDerWaalsContact CD2-N 3.33Å; L35-L71 HydrophobicContact CD1-CD1 4.45Å; L35-V73 HydrophobicContact CD1-CG1 3.92Å; L35-V73 HydrophobicContact CD2-CG1 4.06Å
36	D	92.2	Very high	91.8	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-43.9	171.5	176.7	51.7	0	0	0	111.7	E32 K33 I38 N39 K40	E32-D36 PolarHBondContact O-N 3.16Å; K33-D36 PolarHBondContact O-N 3.38Å; D36-I38 PolarHBondContact O-N 3.01Å; D36-N39 PolarHBondContact O-N 3.42Å; D36-K40 WeakPolarHBondContact O-CB 3.3Å; D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.14Å; D36-K40 PolarHBondContact O-N 3.45Å; D36-K40 WeakPolarHBondContact OD1-CE 3.09Å; D36-K40 IonicContact OD1-NZ 2.77Å; D36-K40 PolarHBondContact OD1-NZ 2.8Å; D36-K40 WeakPolarHBondContact OD2-CE 3.21Å; D36-K40 IonicContact OD2-NZ 3.07Å; D36-K40 PolarHBondContact OD2-NZ 2.88Å
37	L	91.4	Very high	91.8	Very high	50 Å²	50	34.8 Å²	34.8	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-39.9	173.6	-70.1	172.8	0	0	0	112.5	K33 V34 G41 L117 V119 M253	K33-L37 WeakPolarHBondContact O-CG 3.23Å; K33-L37 PolarHBondContact O-N 2.85Å; V34-L37 WeakPolarHBondContact O-CB 3.47Å; V34-L37 PolarHBondContact O-N 3.21Å; L37-G41 PolarHBondContact O-N 2.84Å; L37-L117 HydrophobicContact CD1-CB 4.46Å; L37-L117 HydrophobicContact CD1-CD2 4.09Å; L37-L117 HydrophobicContact CD1-CG 4Å; L37-L117 WeakPolarHBondContact CD1-O 3.28Å; L37-V119 HydrophobicContact CB-CG2 3.85Å; L37-V119 HydrophobicContact CD1-CG2 4.11Å; L37-M253 HydrophobicContact CD2-CE 4.49Å
38	I	92.7	Very high	91.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-49.1	174.6	-71	169.4	0	0	0	110.3	V34 L35 D36 K40 G41 R42 F48 V105 V119 Y122	V34-I38 HydrophobicContact CG1-CD1 4.1Å; V34-I38 WeakPolarHBondContact O-CG1 3.36Å; V34-I38 PolarHBondContact O-N 3.41Å; L35-I38 PolarHBondContact O-N 3.35Å; D36-I38 PolarHBondContact O-N 3.01Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.08Å; I38-G41 PolarHBondContact O-N 2.04Å; I38-G41 VanDerWaalsContact O-N 3.13Å; I38-R42 HydrophobicContact CG2-CG 4.39Å; I38-R42 VanDerWaalsContact O-CG 3.26Å; I38-R42 WeakPolarHBondContact O-CG 3.49Å; I38-R42 PolarHBondContact O-N 2.96Å; I38-F48 HydrophobicContact CG2-CD2 4.48Å; I38-V105 HydrophobicContact CD1-CG1 4.09Å; I38-V105 HydrophobicContact CD1-CG2 3.78Å; I38-V119 HydrophobicContact CG1-CG1 4.31Å; I38-V119 HydrophobicContact CG1-CG2 4.38Å; I38-Y122 HydrophobicContact CD1-CD1 4.16Å; I38-Y122 HydrophobicContact CD1-CD2 4.39Å; I38-Y122 HydrophobicContact CD1-CG 3.97Å; I38-Y122 HydrophobicContact CG1-CD1 3.88Å; I38-Y122 HydrophobicContact CG1-CE1 4.11Å; I38-Y122 HydrophobicContact CG1-CG 4.18Å; I38-Y122 HydrophobicContact CG2-CD1 4.49Å; I38-Y122 HydrophobicContact CG2-CD2 4.31Å; I38-Y122 HydrophobicContact CG2-CE1 4.09Å; I38-Y122 HydrophobicContact CG2-CE2 3.93Å
39	N	92.3	Very high	91.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-49.8	177.6	-76.2	-26.7	0	0	0	110.2	L35 D36 G41 R42 F48 R250	L35-N39 WeakPolarHBondContact O-CB 3.31Å; L35-N39 PolarHBondContact O-N 3.27Å; L35-N39 PolarHBondContact O-ND2 3.25Å; D36-N39 PolarHBondContact O-N 3.42Å; N39-G41 VanDerWaalsContact C-N 3.34Å; N39-G41 PolarHBondContact O-N 2.81Å; N39-R42 PolarHBondContact O-N 2.89Å; N39-F48 PolarHBondContact ND2-N 3.11Å; N39-F48 PolarHBondContact ND2-O 3.48Å; N39-F48 PolarHBondContact OD1-N 3.38Å; N39-R250 PolarHBondContact O-NH2 3.22Å
40	K	87.1	Confident	91.6	Very high	84 Å²	84	32.5 Å²	32.5	37%	0.365	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-33.5	175.5	-74	171.4	177.8	165.6	0	113.5	D36 I38 R250 M253	D36-K40 WeakPolarHBondContact O-CB 3.3Å; D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.14Å; D36-K40 PolarHBondContact O-N 3.45Å; D36-K40 WeakPolarHBondContact OD1-CE 3.09Å; D36-K40 IonicContact OD1-NZ 2.77Å; D36-K40 PolarHBondContact OD1-NZ 2.8Å; D36-K40 WeakPolarHBondContact OD2-CE 3.21Å; D36-K40 IonicContact OD2-NZ 3.07Å; D36-K40 PolarHBondContact OD2-NZ 2.88Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.08Å; K40-R250 VanDerWaalsContact CA-NH2 3.31Å; K40-R250 PolarHBondContact O-NE 3.13Å; K40-R250 PolarHBondContact O-NH2 3.07Å; K40-M253 HydrophobicContact CD-CE 4.43Å
41	G	84.4	Confident	91.6	Very high	31 Å²	31	32.1 Å²	32.1	32%	0.32	17%	0.168	S	C	.	.	H	α-helix	trans	-72.9	-31.9	178.5	0	0	0	0	0	113.5	L37 I38 N39 Q452	L37-G41 PolarHBondContact O-N 2.84Å; I38-G41 PolarHBondContact O-N 2.04Å; I38-G41 VanDerWaalsContact O-N 3.13Å; N39-G41 VanDerWaalsContact C-N 3.34Å; N39-G41 PolarHBondContact O-N 2.81Å; G41-Q452 PolarHBondContact O-NE2 2.87Å
42	R	88.4	Confident	91.5	Very high	16 Å²	16	32.7 Å²	32.7	6%	0.06	17%	0.17	C	C	.	.			trans	-72.6	147.9	-175.5	-74.1	171.6	61.7	-151	-8.6	112.9	I38 N39 S44 Y46 V80 Y122 R250	I38-R42 HydrophobicContact CG2-CG 4.39Å; I38-R42 VanDerWaalsContact O-CG 3.26Å; I38-R42 WeakPolarHBondContact O-CG 3.49Å; I38-R42 PolarHBondContact O-N 2.96Å; N39-R42 PolarHBondContact O-N 2.89Å; R42-S44 PolarHBondContact NH2-O 3.44Å; R42-Y46 PolarHBondContact NH1-O 2.68Å; R42-Y46 PolarHBondContact NH2-O 3.08Å; R42-V80 HydrophobicContact CB-CB 4.38Å; R42-V80 HydrophobicContact CB-CG1 4.03Å; R42-V80 HydrophobicContact CB-CG2 4.3Å; R42-Y122 WeakPolarHBondContact CG-OH 3.28Å; R42-R250 PolarHBondContact O-NH2 3.32Å
43	R	82.8	Confident	91.5	Very high	42 Å²	42	28.4 Å²	28.4	16%	0.158	15%	0.151	C	C	.	.			trans	-112.7	-8.5	-179.8	-62.3	-97.1	177.2	-104.7	1.4	113.6	P210 R250	R43-P210 HydrophobicContact CB-CG 3.68Å; R43-P210 WeakPolarHBondContact O-CG 3.43Å; R43-R250 PolarHBondContact NH2-O 2.97Å
44	S	86.3	Confident	91.5	Very high	71 Å²	71	23.9 Å²	23.9	50%	0.497	13%	0.133	S	C	.	.	S	Bend	trans	-147.3	158.1	-179.1	59.6	0	0	0	0	112.6	R42	R42-S44 PolarHBondContact NH2-O 3.44Å
45	G	89.9	Confident	91.5	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	14%	0.137	C	C	.	.	S	Bend	trans	80.9	-166.9	-177.7	0	0	0	0	0	113.1	W79 V80	G45-W79 VanDerWaalsContact O-CD2 3.25Å; G45-V80 WeakPolarHBondContact O-CG1 3.44Å; G45-V80 PolarHBondContact O-N 2.81Å
46	Y	92.1	Very high	91.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.3	-173.4	-58.6	-98.5	0	0	0	111.3	R42 C78 W79 E179 R180 E195 L215	R42-Y46 PolarHBondContact NH1-O 2.68Å; R42-Y46 PolarHBondContact NH2-O 3.08Å; Y46-C78 CarbonylContact C-O 3.49Å; Y46-C78 WeakPolarHBondContact CA-O 3.37Å; Y46-C78 WeakPolarHBondContact CB-O 3.24Å; Y46-W79 HydrophobicContact CD2-CE3 4.49Å; Y46-W79 HydrophobicContact CD2-CZ3 4.5Å; Y46-W79 HydrophobicContact CE1-CE3 4.39Å; Y46-W79 HydrophobicContact CE2-CE3 4.23Å; Y46-W79 HydrophobicContact CE2-CZ3 4.04Å; Y46-E179 HydrophobicContact CE2-CB 4.5Å; Y46-R180 HydrophobicContact CE2-CG 4.11Å; Y46-R180 VanDerWaalsContact CE2-NE 3.29Å; Y46-R180 VanDerWaalsContact CG-NH2 3.25Å; Y46-R180 VanDerWaalsContact CZ-CZ 3.49Å; Y46-E195 WeakPolarHBondContact CE1-OE2 3.45Å; Y46-E195 WeakPolarHBondContact OH-CB 3.07Å; Y46-E195 PolarHBondContact OH-OE2 3.3Å; Y46-L215 HydrophobicContact CE1-CD2 3.94Å
47	T	92.9	Very high	91.6	Very high	21 Å²	21	22.1 Å²	22.1	13%	0.129	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147.7	174.8	64.5	0	0	0	0	110.3	S76 C78 V80	T47-S76 PolarHBondContact O-N 2.86Å; T47-S76 PolarHBondContact O-OG 3.37Å; T47-S76 PolarHBondContact OG1-OG 3.17Å; T47-C78 HydrophobicContact CG2-CB 4.4Å; T47-C78 PolarHBondContact N-O 3.18Å; T47-V80 HydrophobicContact CG2-CB 4.45Å; T47-V80 HydrophobicContact CG2-CG1 4.13Å
48	F	93.8	Very high	91.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.9	176.6	-60.2	-31.3	0	0	0	111.2	L35 I38 N39 V73 V74 E75 C124 M126 V458	L35-F48 HydrophobicContact CD1-CB 3.76Å; L35-F48 HydrophobicContact CD1-CD2 4.01Å; L35-F48 HydrophobicContact CD1-CG 4.41Å; L35-F48 HydrophobicContact CD2-CB 4.01Å; L35-F48 HydrophobicContact CG-CB 4.05Å; I38-F48 HydrophobicContact CG2-CD2 4.48Å; N39-F48 PolarHBondContact ND2-N 3.11Å; N39-F48 PolarHBondContact ND2-O 3.48Å; N39-F48 PolarHBondContact OD1-N 3.38Å; F48-V73 HydrophobicContact CB-CB 4.22Å; F48-V73 HydrophobicContact CB-CG1 4.41Å; F48-V73 HydrophobicContact CG-CG2 4.36Å; F48-V74 WeakPolarHBondContact CA-O 3.41Å; F48-E75 HydrophobicContact CD1-CG 4.06Å; F48-E75 HydrophobicContact CE1-CG 3.93Å; F48-C124 HydrophobicContact CE2-CB 4.38Å; F48-M126 HydrophobicContact CD1-CE 4.14Å; F48-M126 HydrophobicContact CE1-CE 3.6Å; F48-M126 HydrophobicContact CE1-SD 3.8Å; F48-M126 HydrophobicContact CZ-CE 4.18Å; F48-M126 HydrophobicContact CZ-CG 4.42Å; F48-M126 HydrophobicContact CZ-SD 3.74Å; F48-V458 HydrophobicContact CE2-CG2 4.27Å; F48-V458 HydrophobicContact CZ-CG1 3.96Å; F48-V458 HydrophobicContact CZ-CG2 4.03Å
49	Q	92.6	Very high	91.5	Very high	43 Å²	43	21.2 Å²	21.2	20%	0.201	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.4	165.5	-60.2	-177.7	21.8	0	0	109	V73 V74 C89	Q49-V73 CarbonylContact O-C 3.54Å; Q49-V73 VanDerWaalsContact O-CA 3.24Å; Q49-V73 WeakPolarHBondContact O-CA 3.34Å; Q49-V73 WeakPolarHBondContact O-CB 3.13Å; Q49-V74 HydrophobicContact CB-CG1 3.9Å; Q49-V74 PolarHBondContact N-O 2.88Å; Q49-V74 PolarHBondContact O-N 2.89Å; Q49-C89 PolarHBondContact NE2-O 3.11Å
50	L	94.7	Very high	91.3	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.141	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.8	179.7	-174.8	67.1	0	0	0	109.3	K28 A31 E32 L35 R52 V53 L71	K28-L50 HydrophobicContact CG-CD2 3.99Å; A31-L50 HydrophobicContact CB-CD2 3.89Å; E32-L50 HydrophobicContact CG-CD2 3.73Å; L35-L50 HydrophobicContact CD2-CB 3.81Å; L35-L50 VanDerWaalsContact CD2-N 3.33Å; L50-R52 WeakPolarHBondContact CD1-O 3.22Å; L50-V53 HydrophobicContact CD2-CG2 4.45Å; L50-L71 HydrophobicContact CD1-CB 3.93Å; L50-L71 HydrophobicContact CD1-CD1 4.45Å; L50-L71 HydrophobicContact CD1-CD2 4.07Å; L50-L71 HydrophobicContact CD1-CG 4.37Å
51	L	94.3	Very high	91.1	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-44.8	171.3	-65.6	171.3	0	0	0	111.2	D72 V74 F508 E509 V515 F519	L51-D72 HydrophobicContact CB-CB 4.18Å; L51-D72 WeakPolarHBondContact CB-O 3.44Å; L51-D72 PolarHBondContact N-O 2.96Å; L51-V74 HydrophobicContact CD1-CB 4.05Å; L51-V74 HydrophobicContact CD2-CB 4.12Å; L51-V74 HydrophobicContact CD2-CG1 3.8Å; L51-V74 HydrophobicContact CG-CB 4.12Å; L51-V74 HydrophobicContact CG-CG1 4.11Å; L51-F508 HydrophobicContact CB-CD2 4.36Å; L51-F508 HydrophobicContact CB-CE2 3.82Å; L51-F508 HydrophobicContact CB-CZ 4.01Å; L51-F508 HydrophobicContact CD1-CE2 4.02Å; L51-F508 HydrophobicContact CD1-CZ 3.85Å; L51-F508 HydrophobicContact CD2-CE1 4.33Å; L51-F508 HydrophobicContact CD2-CZ 3.97Å; L51-F508 HydrophobicContact CG-CE2 4.38Å; L51-F508 HydrophobicContact CG-CZ 4.17Å; L51-E509 WeakPolarHBondContact CA-O 3.45Å; L51-E509 WeakPolarHBondContact CD2-O 3.41Å; L51-E509 PolarHBondContact O-N 2.66Å; L51-V515 HydrophobicContact CD1-CG2 4.43Å; L51-F519 HydrophobicContact CD1-CE2 3.73Å; L51-F519 HydrophobicContact CD1-CZ 3.67Å
52	R	94.8	Very high	90.8	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.045	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	165.7	172.3	57.1	174	-177.8	-162.2	-2.7	111.4	L50 S54 D72 K507 F508 F519	L50-R52 WeakPolarHBondContact CD1-O 3.22Å; R52-S54 PolarHBondContact NE-OG 3.02Å; R52-D72 HydrophobicContact CG-CB 3.8Å; R52-D72 IonicContact CZ-OD2 3.14Å; R52-D72 PolarHBondContact N-O 3.45Å; R52-D72 IonicContact NE-OD2 2.83Å; R52-D72 PolarHBondContact NE-OD2 3.43Å; R52-D72 IonicContact NH2-OD2 3.45Å; R52-D72 PolarHBondContact NH2-OD2 2.85Å; R52-D72 PolarHBondContact O-N 3.08Å; R52-K507 WeakPolarHBondContact CB-O 3.34Å; R52-F508 HydrophobicContact CG-CD2 4Å; R52-F519 VanDerWaalsContact NH2-CB 3.32Å
53	V	96.2	Very high	90.6	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117	161.8	-170.1	0	0	0	0	107.3	C24 K28 A31 L50 A56 L69 L71 G506	C24-V53 HydrophobicContact CB-CB 3.94Å; C24-V53 HydrophobicContact CB-CG1 4.16Å; C24-V53 WeakPolarHBondContact CB-O 3.41Å; C24-V53 PolarHBondContact SG-O 2.99Å; K28-V53 HydrophobicContact CB-CG2 4.33Å; A31-V53 HydrophobicContact CB-CG2 3.6Å; L50-V53 HydrophobicContact CD2-CG2 4.45Å; V53-A56 HydrophobicContact CG1-CB 3.96Å; V53-L69 HydrophobicContact CG1-CD2 4.46Å; V53-L71 HydrophobicContact CG1-CD2 4.26Å; V53-L71 HydrophobicContact CG2-CD2 4.26Å; V53-G506 PolarHBondContact O-N 2.87Å
54	S	94.2	Very high	90.8	Very high	17 Å²	17	36.8 Å²	36.8	12%	0.119	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-27.1	-175.4	-65.2	0	0	0	0	113	R52 V70 D72 C504	R52-S54 PolarHBondContact NE-OG 3.02Å; S54-V70 PolarHBondContact N-O 2.87Å; S54-D72 WeakPolarHBondContact CB-OD1 3.35Å; S54-D72 PolarHBondContact OG-OD1 3.08Å; S54-D72 PolarHBondContact OG-OD2 2.87Å; S54-C504 WeakPolarHBondContact O-CB 3.41Å
55	D	94.6	Very high	91	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	148.5	169.5	-173.8	33.4	0	0	0	110.2	H57 V70 S501	D55-H57 IonicContact OD1-CE1 3.76Å; D55-H57 PolarHBondContact OD1-CE1 3.49Å; D55-H57 IonicContact OD1-ND1 3.33Å; D55-H57 PolarHBondContact OD1-ND1 3.07Å; D55-H57 IonicContact OD2-CE1 3.41Å; D55-H57 PolarHBondContact OD2-CE1 2.85Å; D55-H57 IonicContact OD2-ND1 3.89Å; D55-H57 PolarHBondContact OD2-ND1 3.41Å; D55-V70 HydrophobicContact CB-CB 3.89Å; D55-V70 HydrophobicContact CB-CG2 3.76Å; D55-V70 PolarHBondContact N-O 3.34Å; D55-V70 PolarHBondContact O-N 3.48Å; D55-S501 WeakPolarHBondContact OD1-CB 3.4Å; D55-S501 PolarHBondContact OD1-N 3.49Å
56	A	95	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127.1	-176.9	0	0	0	0	0	111.7	T22 V53 Y68 L69 S501	T22-A56 HydrophobicContact CG2-CB 3.45Å; T22-A56 VanDerWaalsContact CG2-CB 3.45Å; T22-A56 WeakPolarHBondContact CG2-O 3.42Å; T22-A56 PolarHBondContact N-O 3.05Å; V53-A56 HydrophobicContact CG1-CB 3.96Å; A56-Y68 WeakPolarHBondContact CA-O 3.41Å; A56-L69 HydrophobicContact CB-CD2 3.91Å; A56-S501 WeakPolarHBondContact O-CB 3.13Å
57	H	93.9	Very high	91.2	Very high	2 Å²	2	36 Å²	36	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.8	173.8	-64.3	74.5	0	0	0	110.6	L19 S20 D55 Y67 Y68 P497 T499 S501	L19-H57 HydrophobicContact CB-CB 4.1Å; S20-H57 CarbonylContact O-C 3.56Å; S20-H57 WeakPolarHBondContact O-CA 3.26Å; D55-H57 IonicContact OD1-CE1 3.76Å; D55-H57 PolarHBondContact OD1-CE1 3.49Å; D55-H57 IonicContact OD1-ND1 3.33Å; D55-H57 PolarHBondContact OD1-ND1 3.07Å; D55-H57 IonicContact OD2-CE1 3.41Å; D55-H57 PolarHBondContact OD2-CE1 2.85Å; D55-H57 IonicContact OD2-ND1 3.89Å; D55-H57 PolarHBondContact OD2-ND1 3.41Å; H57-Y67 WeakPolarHBondContact O-CA 3.47Å; H57-Y68 PolarHBondContact N-O 2.92Å; H57-Y68 PolarHBondContact O-N 3.27Å; H57-P497 HydrophobicContact CB-CG 3.85Å; H57-P497 WeakPolarHBondContact ND1-CG 3.23Å; H57-T499 PolarHBondContact CE1-O 3.48Å; H57-T499 PolarHBondContact NE2-O 2.75Å; H57-S501 PolarHBondContact CE1-N 3.17Å
58	L	91.8	Very high	91.2	Very high	18 Å²	18	35 Å²	35	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.1	176.5	63.5	86.4	0	0	0	112.9	S20 T22 R60 T65 I66 Y67	S20-L58 PolarHBondContact N-O 2.65Å; S20-L58 PolarHBondContact O-N 3.07Å; T22-L58 HydrophobicContact CG2-CD2 4.4Å; L58-R60 HydrophobicContact CD1-CG 3.68Å; L58-T65 HydrophobicContact CB-CG2 4.1Å; L58-I66 CarbonylContact C-O 3.57Å; L58-I66 WeakPolarHBondContact CA-O 3.36Å; L58-Y67 HydrophobicContact CB-CD1 4.41Å
59	D	89.7	Confident	91.3	Very high	15 Å²	15	35 Å²	35	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.9	167	-163.3	-3.9	0	0	0	108.4	L19 T65 I66 Y68 R494	L19-D59 HydrophobicContact CD2-CB 3.64Å; D59-T65 CarbonylContact O-C 3.53Å; D59-T65 WeakPolarHBondContact O-CA 3.41Å; D59-I66 HydrophobicContact CB-CB 4.18Å; D59-I66 HydrophobicContact CB-CD1 4.33Å; D59-I66 PolarHBondContact N-O 2.81Å; D59-I66 PolarHBondContact O-N 3.26Å; D59-Y68 HydrophobicContact CB-CE2 4.04Å; D59-R494 IonicContact OD1-NH2 2.61Å; D59-R494 IonicContact OD2-CZ 3.33Å; D59-R494 IonicContact OD2-NE 2.73Å; D59-R494 PolarHBondContact OD2-NE 2.86Å; D59-R494 IonicContact OD2-NH2 3.86Å; D59-R494 PolarHBondContact OD2-NH2 2.74Å
60	R	87.7	Confident	91.5	Very high	192 Å²	192	33.5 Å²	33.5	73%	0.725	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.2	178.1	-63.4	-172.5	-178.8	-158.3	0.3	108.1	L58 T65	L58-R60 HydrophobicContact CD1-CG 3.68Å; R60-T65 HydrophobicContact CG-CG2 4.41Å
61	V	82.4	Confident	91.6	Very high	45 Å²	45	32.2 Å²	32.2	27%	0.273	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.4	-178.4	-175.2	0	0	0	0	108.2	T63 A64 I66 P491	V61-T63 PolarHBondContact O-N 3.18Å; V61-A64 PolarHBondContact N-O 3.16Å; V61-A64 PolarHBondContact O-N 3.45Å; V61-A64 VanDerWaalsContact O-O 3.12Å; V61-I66 HydrophobicContact CG2-CD1 4.26Å; V61-P491 HydrophobicContact CB-CB 4.15Å; V61-P491 HydrophobicContact CG1-CB 4.22Å; V61-P491 HydrophobicContact CG2-CB 4.24Å
62	E	79.1	Confident	91.6	Very high	195 Å²	195	31.9 Å²	31.9	91%	0.911	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.4	-90.4	178.2	-61.3	-179.5	175	0	0	114.1
63	T	83.4	Confident	91.7	Very high	78 Å²	78	31.3 Å²	31.3	48%	0.479	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.8	-175.3	58.1	0	0	0	0	113.7	V61 S111	V61-T63 PolarHBondContact O-N 3.18Å; T63-S111 WeakPolarHBondContact O-CB 3.42Å; T63-S111 PolarHBondContact O-N 2.94Å; T63-S111 PolarHBondContact O-OG 3.19Å; T63-S111 VanDerWaalsContact O-OG 3.13Å
64	A	87.6	Confident	91.5	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.7	-177.8	0	0	0	0	0	112.2	V61 T108 R109 Y110 P491	V61-A64 PolarHBondContact N-O 3.16Å; V61-A64 PolarHBondContact O-N 3.45Å; V61-A64 VanDerWaalsContact O-O 3.12Å; A64-T108 HydrophobicContact CB-CG2 3.93Å; A64-R109 CarbonylContact C-O 3.55Å; A64-R109 WeakPolarHBondContact CA-O 3.28Å; A64-Y110 HydrophobicContact CB-CD1 3.85Å; A64-Y110 HydrophobicContact CB-CE1 3.98Å; A64-Y110 HydrophobicContact CB-CG 4.35Å; A64-P491 HydrophobicContact CB-CG 3.82Å
65	T	90.5	Very high	91.5	Very high	23 Å²	23	30.8 Å²	30.8	14%	0.141	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.3	167.6	-55.7	0	0	0	0	108.7	L58 D59 R60 Y67 R109	L58-T65 HydrophobicContact CB-CG2 4.1Å; D59-T65 CarbonylContact O-C 3.53Å; D59-T65 WeakPolarHBondContact O-CA 3.41Å; R60-T65 HydrophobicContact CG-CG2 4.41Å; T65-Y67 HydrophobicContact CG2-CD2 4.18Å; T65-Y67 HydrophobicContact CG2-CE1 4.16Å; T65-Y67 HydrophobicContact CG2-CE2 3.6Å; T65-R109 PolarHBondContact N-O 2.71Å; T65-R109 PolarHBondContact O-N 3.18Å
66	I	91.6	Very high	91.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.4	173.5	-44.9	173.5	0	0	0	107.7	L58 D59 V61 Y68 I106 A107 T108 P491	L58-I66 CarbonylContact C-O 3.57Å; L58-I66 WeakPolarHBondContact CA-O 3.36Å; D59-I66 HydrophobicContact CB-CB 4.18Å; D59-I66 HydrophobicContact CB-CD1 4.33Å; D59-I66 PolarHBondContact N-O 2.81Å; D59-I66 PolarHBondContact O-N 3.26Å; V61-I66 HydrophobicContact CG2-CD1 4.26Å; I66-Y68 HydrophobicContact CB-CE2 4.06Å; I66-Y68 HydrophobicContact CG2-CD2 4.4Å; I66-Y68 HydrophobicContact CG2-CE2 3.69Å; I66-I106 HydrophobicContact CG2-CG2 3.64Å; I66-A107 CarbonylContact C-O 3.53Å; I66-A107 WeakPolarHBondContact CA-O 3.38Å; I66-T108 HydrophobicContact CG1-CG2 4.49Å; I66-P491 HydrophobicContact CD1-CB 3.49Å; I66-P491 VanDerWaalsContact CD1-CB 3.49Å; I66-P491 HydrophobicContact CD1-CG 4.48Å; I66-P491 HydrophobicContact CG1-CB 4Å
67	Y	94.1	Very high	90.8	Very high	39 Å²	39	31.8 Å²	31.8	15%	0.153	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	178	-65.3	-92.7	0	0	0	109.5	L30 H57 L58 T65 I106 A107 R109	L30-Y67 HydrophobicContact CD2-CD1 3.28Å; L30-Y67 HydrophobicContact CD2-CD2 3.53Å; L30-Y67 HydrophobicContact CD2-CE1 3.31Å; L30-Y67 HydrophobicContact CD2-CE2 3.55Å; L30-Y67 HydrophobicContact CD2-CG 3.38Å; L30-Y67 VanDerWaalsContact CD2-CZ 3.43Å; H57-Y67 WeakPolarHBondContact O-CA 3.47Å; L58-Y67 HydrophobicContact CB-CD1 4.41Å; T65-Y67 HydrophobicContact CG2-CD2 4.18Å; T65-Y67 HydrophobicContact CG2-CE1 4.16Å; T65-Y67 HydrophobicContact CG2-CE2 3.6Å; Y67-I106 VanDerWaalsContact O-CA 3.3Å; Y67-I106 WeakPolarHBondContact O-CA 3.03Å; Y67-A107 PolarHBondContact N-O 2.96Å; Y67-A107 PolarHBondContact O-N 3.07Å; Y67-R109 HydrophobicContact CD2-CB 4.49Å; Y67-R109 HydrophobicContact CE2-CB 3.81Å
68	Y	94.5	Very high	90.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.5	173.9	-58.6	-100.9	0	0	0	106.4	L19 A56 H57 D59 I66 I106 I493 R494 F496	L19-Y68 HydrophobicContact CD1-CD1 4.23Å; L19-Y68 HydrophobicContact CD1-CD2 4.01Å; L19-Y68 HydrophobicContact CD1-CE1 4.22Å; L19-Y68 HydrophobicContact CD1-CE2 4.04Å; L19-Y68 HydrophobicContact CD1-CG 4.13Å; L19-Y68 HydrophobicContact CD2-CD2 3.95Å; L19-Y68 HydrophobicContact CD2-CE2 3.41Å; L19-Y68 VanDerWaalsContact CD2-CE2 3.41Å; L19-Y68 HydrophobicContact CG-CE2 4.36Å; A56-Y68 WeakPolarHBondContact CA-O 3.41Å; H57-Y68 PolarHBondContact N-O 2.92Å; H57-Y68 PolarHBondContact O-N 3.27Å; D59-Y68 HydrophobicContact CB-CE2 4.04Å; I66-Y68 HydrophobicContact CB-CE2 4.06Å; I66-Y68 HydrophobicContact CG2-CD2 4.4Å; I66-Y68 HydrophobicContact CG2-CE2 3.69Å; Y68-I106 HydrophobicContact CD1-CD1 3.7Å; Y68-I106 HydrophobicContact CD1-CG1 3.78Å; Y68-I106 HydrophobicContact CE1-CD1 3.53Å; Y68-I106 HydrophobicContact CE1-CG1 4.05Å; Y68-I493 HydrophobicContact CE1-CG2 4.27Å; Y68-R494 VanDerWaalsContact CE1-O 3.29Å; Y68-R494 WeakPolarHBondContact CE1-O 3.4Å; Y68-R494 PolarHBondContact OH-N 3.48Å; Y68-F496 HydrophobicContact CD1-CD2 4.13Å; Y68-F496 HydrophobicContact CD1-CE2 4.22Å; Y68-F496 HydrophobicContact CD1-CG 4.45Å
69	L	95.8	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.4	-170.5	-57.6	174.6	0	0	0	110.3	A31 V34 V53 A56 L71 K104 V105	A31-L69 HydrophobicContact CB-CD1 4.37Å; V34-L69 HydrophobicContact CG2-CD1 4.28Å; V53-L69 HydrophobicContact CG1-CD2 4.46Å; A56-L69 HydrophobicContact CB-CD2 3.91Å; L69-L71 HydrophobicContact CB-CD2 3.87Å; L69-L71 HydrophobicContact CB-CG 4.28Å; L69-L71 HydrophobicContact CD1-CD2 4.41Å; L69-K104 CarbonylContact O-C 3.5Å; L69-K104 WeakPolarHBondContact O-CA 3.2Å; L69-V105 HydrophobicContact CB-CB 4.45Å; L69-V105 PolarHBondContact N-O 2.95Å; L69-V105 PolarHBondContact O-N 3.49Å
70	V	95.6	Very high	90.6	Very high	12 Å²	12	30.4 Å²	30.4	7%	0.073	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.5	162.1	-172.5	0	0	0	0	107.2	S54 D55 Q102 C103 K104 F496	S54-V70 PolarHBondContact N-O 2.87Å; D55-V70 HydrophobicContact CB-CB 3.89Å; D55-V70 HydrophobicContact CB-CG2 3.76Å; D55-V70 PolarHBondContact N-O 3.34Å; D55-V70 PolarHBondContact O-N 3.48Å; V70-Q102 HydrophobicContact CG1-CG 4.24Å; V70-C103 CarbonylContact C-O 3.56Å; V70-C103 WeakPolarHBondContact CA-O 3.4Å; V70-K104 HydrophobicContact CG2-CG 4.19Å; V70-F496 HydrophobicContact CG2-CE1 4.1Å
71	L	96.3	Very high	90.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.9	-174.4	-51.1	-177.4	0	0	0	109.4	A31 L35 L50 V53 L69 V73 Q102 C103 V105	A31-L71 HydrophobicContact CB-CD2 3.67Å; L35-L71 HydrophobicContact CD1-CD1 4.45Å; L50-L71 HydrophobicContact CD1-CB 3.93Å; L50-L71 HydrophobicContact CD1-CD1 4.45Å; L50-L71 HydrophobicContact CD1-CD2 4.07Å; L50-L71 HydrophobicContact CD1-CG 4.37Å; V53-L71 HydrophobicContact CG1-CD2 4.26Å; V53-L71 HydrophobicContact CG2-CD2 4.26Å; L69-L71 HydrophobicContact CB-CD2 3.87Å; L69-L71 HydrophobicContact CB-CG 4.28Å; L69-L71 HydrophobicContact CD1-CD2 4.41Å; L71-V73 HydrophobicContact CB-CG1 4.14Å; L71-Q102 CarbonylContact O-C 3.58Å; L71-Q102 VanDerWaalsContact O-CA 3.32Å; L71-Q102 WeakPolarHBondContact O-CA 3.34Å; L71-C103 HydrophobicContact CB-CB 4.32Å; L71-C103 PolarHBondContact N-O 2.67Å; L71-C103 PolarHBondContact O-N 2.86Å; L71-V105 HydrophobicContact CD1-CG2 3.95Å; L71-V105 HydrophobicContact CG-CG2 4.35Å
72	D	95.9	Very high	90.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.8	165	-69.8	4.9	0	0	0	107.7	L51 R52 S54 Q102 F519	L51-D72 HydrophobicContact CB-CB 4.18Å; L51-D72 WeakPolarHBondContact CB-O 3.44Å; L51-D72 PolarHBondContact N-O 2.96Å; R52-D72 HydrophobicContact CG-CB 3.8Å; R52-D72 IonicContact CZ-OD2 3.14Å; R52-D72 PolarHBondContact N-O 3.45Å; R52-D72 IonicContact NE-OD2 2.83Å; R52-D72 PolarHBondContact NE-OD2 3.43Å; R52-D72 IonicContact NH2-OD2 3.45Å; R52-D72 PolarHBondContact NH2-OD2 2.85Å; R52-D72 PolarHBondContact O-N 3.08Å; S54-D72 WeakPolarHBondContact CB-OD1 3.35Å; S54-D72 PolarHBondContact OG-OD1 3.08Å; S54-D72 PolarHBondContact OG-OD2 2.87Å; D72-Q102 WeakPolarHBondContact OD1-CG 2.97Å; D72-Q102 PolarHBondContact OD1-NE2 3.05Å; D72-F519 HydrophobicContact CB-CD1 3.96Å; D72-F519 HydrophobicContact CB-CE1 3.58Å; D72-F519 HydrophobicContact CB-CE2 4.47Å; D72-F519 HydrophobicContact CB-CZ 3.85Å; D72-F519 VanDerWaalsContact CG-CE1 3.42Å; D72-F519 VanDerWaalsContact OD2-CD1 3.23Å; D72-F519 WeakPolarHBondContact OD2-CD1 3.35Å; D72-F519 WeakPolarHBondContact OD2-CG 2.96Å
73	V	95.2	Very high	90.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.1	-173.4	-62.3	0	0	0	0	111.6	L35 F48 Q49 L71 I100 G101 M126	L35-V73 HydrophobicContact CD1-CG1 3.92Å; L35-V73 HydrophobicContact CD2-CG1 4.06Å; F48-V73 HydrophobicContact CB-CB 4.22Å; F48-V73 HydrophobicContact CB-CG1 4.41Å; F48-V73 HydrophobicContact CG-CG2 4.36Å; Q49-V73 CarbonylContact O-C 3.54Å; Q49-V73 VanDerWaalsContact O-CA 3.24Å; Q49-V73 WeakPolarHBondContact O-CA 3.34Å; Q49-V73 WeakPolarHBondContact O-CB 3.13Å; L71-V73 HydrophobicContact CB-CG1 4.14Å; V73-I100 CarbonylContact O-C 3.59Å; V73-I100 WeakPolarHBondContact O-CA 3.45Å; V73-G101 WeakPolarHBondContact CG2-O 3.4Å; V73-G101 PolarHBondContact N-O 3.05Å; V73-G101 PolarHBondContact O-N 3.07Å; V73-M126 HydrophobicContact CG2-CE 4.14Å; V73-M126 HydrophobicContact CG2-SD 4.23Å
74	V	93.4	Very high	90.5	Very high	9 Å²	9	15.3 Å²	15.3	6%	0.055	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.9	168.8	64.1	0	0	0	0	109.1	F48 Q49 L51 V99 I100	F48-V74 WeakPolarHBondContact CA-O 3.41Å; Q49-V74 HydrophobicContact CB-CG1 3.9Å; Q49-V74 PolarHBondContact N-O 2.88Å; Q49-V74 PolarHBondContact O-N 2.89Å; L51-V74 HydrophobicContact CD1-CB 4.05Å; L51-V74 HydrophobicContact CD2-CB 4.12Å; L51-V74 HydrophobicContact CD2-CG1 3.8Å; L51-V74 HydrophobicContact CG-CB 4.12Å; L51-V74 HydrophobicContact CG-CG1 4.11Å; V74-V99 WeakPolarHBondContact CG2-O 3.16Å; V74-I100 HydrophobicContact CG2-CG2 4.34Å
75	E	92.9	Very high	90.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.6	170.3	-60.4	-161.1	122.3	0	0	110.5	F48 V99 M126 R180 R460	F48-E75 HydrophobicContact CD1-CG 4.06Å; F48-E75 HydrophobicContact CE1-CG 3.93Å; E75-V99 HydrophobicContact CB-CB 4.15Å; E75-V99 HydrophobicContact CG-CB 3.91Å; E75-V99 HydrophobicContact CG-CG1 4Å; E75-V99 PolarHBondContact N-O 2.92Å; E75-V99 VanDerWaalsContact OE2-CB 3.27Å; E75-V99 WeakPolarHBondContact OE2-CB 3.34Å; E75-V99 VanDerWaalsContact OE2-CG1 3.3Å; E75-V99 WeakPolarHBondContact OE2-CG1 3.43Å; E75-M126 HydrophobicContact CG-CE 3.5Å; E75-R180 VanDerWaalsContact CB-NH2 3.29Å; E75-R180 VanDerWaalsContact CD-NH2 3.31Å; E75-R180 IonicContact OE2-CZ 3.26Å; E75-R180 IonicContact OE2-NE 2.84Å; E75-R180 IonicContact OE2-NH2 2.67Å; E75-R180 PolarHBondContact OE2-NH2 3.07Å; E75-R460 VanDerWaalsContact CD-NH2 3.35Å; E75-R460 IonicContact OE1-CZ 2.82Å; E75-R460 IonicContact OE1-NH1 2.92Å; E75-R460 PolarHBondContact OE1-NH1 3.13Å; E75-R460 IonicContact OE1-NH2 3.49Å; E75-R460 PolarHBondContact OE1-NH2 3.14Å; E75-R460 IonicContact OE2-CZ 3.88Å; E75-R460 IonicContact OE2-NH1 2.89Å; E75-R460 PolarHBondContact OE2-NH1 2.76Å; E75-R460 IonicContact OE2-NH2 3.84Å; E75-R460 PolarHBondContact OE2-NH2 2.91Å; E75-R460 VanDerWaalsContact OE2-NH2 3.16Å
76	S	89.8	Confident	89.1	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	178.8	167.2	80.3	0	0	0	0	111.1	T47 C78	T47-S76 PolarHBondContact O-N 2.86Å; T47-S76 PolarHBondContact O-OG 3.37Å; T47-S76 PolarHBondContact OG1-OG 3.17Å; S76-C78 VanDerWaalsContact C-N 3.33Å; S76-C78 PolarHBondContact OG-N 2.53Å
77	D	86.4	Confident	88.3	Confident	35 Å²	35	28.4 Å²	28.4	19%	0.187	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-14.6	166.6	60.4	-0.7	0	0	0	113.5	C89 L90 R217	D77-C89 VanDerWaalsContact OD1-C 3.31Å; D77-C89 WeakPolarHBondContact OD1-CA 3.34Å; D77-L90 PolarHBondContact N-O 2.91Å; D77-L90 PolarHBondContact OD1-N 2.77Å; D77-L90 VanDerWaalsContact OD1-O 3.11Å; D77-R217 PolarHBondContact O-NH2 3.27Å
78	C	89.4	Confident	87.7	Confident	1 Å²	1	32 Å²	32	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.5	-178.7	-74.9	0	0	0	0	113	Y46 T47 S76 C89	Y46-C78 CarbonylContact C-O 3.49Å; Y46-C78 WeakPolarHBondContact CA-O 3.37Å; Y46-C78 WeakPolarHBondContact CB-O 3.24Å; T47-C78 HydrophobicContact CG2-CB 4.4Å; T47-C78 PolarHBondContact N-O 3.18Å; S76-C78 VanDerWaalsContact C-N 3.33Å; S76-C78 PolarHBondContact OG-N 2.53Å; C78-C89 HydrophobicContact CB-CB 3.68Å; C78-C89 WeakPolarHBondContact CB-SG 3.11Å; C78-C89 WeakPolarHBondContact SG-CA 3.21Å; C78-C89 WeakPolarHBondContact SG-CB 3.31Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 2.86Å
79	W	90.9	Very high	86.9	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	147.4	165.3	-167.1	-104.8	0	0	0	110.5	G45 Y46 L81 S82 E179 V212 L215 F242	G45-W79 VanDerWaalsContact O-CD2 3.25Å; Y46-W79 HydrophobicContact CD2-CE3 4.49Å; Y46-W79 HydrophobicContact CD2-CZ3 4.5Å; Y46-W79 HydrophobicContact CE1-CE3 4.39Å; Y46-W79 HydrophobicContact CE2-CE3 4.23Å; Y46-W79 HydrophobicContact CE2-CZ3 4.04Å; W79-L81 PolarHBondContact O-N 2.64Å; W79-S82 WeakPolarHBondContact O-CB 3.25Å; W79-S82 PolarHBondContact O-N 2.82Å; W79-E179 HydrophobicContact CH2-CG 3.96Å; W79-E179 WeakPolarHBondContact CH2-OE1 3.42Å; W79-E179 HydrophobicContact CZ3-CB 4.33Å; W79-E179 HydrophobicContact CZ3-CG 3.73Å; W79-V212 HydrophobicContact CZ2-CG1 4.35Å; W79-L215 HydrophobicContact CB-CD2 4.19Å; W79-L215 HydrophobicContact CE3-CD1 4.06Å; W79-L215 HydrophobicContact CE3-CD2 4.39Å; W79-L215 HydrophobicContact CZ3-CD1 4.37Å; W79-F242 HydrophobicContact CB-CE1 4.1Å; W79-F242 HydrophobicContact CB-CE2 4.31Å; W79-F242 HydrophobicContact CB-CZ 3.5Å; W79-F242 AromaticContact CD1-CE2 3.28Å; W79-F242 AromaticContact CD1-CZ 3.38Å; W79-F242 AromaticContact CG-CE2 3.89Å; W79-F242 HydrophobicContact CG-CE2 3.89Å; W79-F242 AromaticContact CG-CZ 3.57Å; W79-F242 HydrophobicContact CG-CZ 3.57Å; W79-F242 AromaticContact NE1-CE2 3.83Å
80	V	90.2	Very high	85.7	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.024	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	-178	-67.7	0	0	0	0	113.7	R42 G45 T47 R250	R42-V80 HydrophobicContact CB-CB 4.38Å; R42-V80 HydrophobicContact CB-CG1 4.03Å; R42-V80 HydrophobicContact CB-CG2 4.3Å; G45-V80 WeakPolarHBondContact O-CG1 3.44Å; G45-V80 PolarHBondContact O-N 2.81Å; T47-V80 HydrophobicContact CG2-CB 4.45Å; T47-V80 HydrophobicContact CG2-CG1 4.13Å; V80-R250 PolarHBondContact O-NH1 3.15Å; V80-R250 PolarHBondContact O-NH2 2.87Å
81	L	87.5	Confident	84	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.3	177.5	-50.7	169.8	0	0	0	113.8	W79 V212 F242 L247	W79-L81 PolarHBondContact O-N 2.64Å; L81-V212 HydrophobicContact CD1-CB 4.45Å; L81-F242 HydrophobicContact CB-CD2 3.85Å; L81-F242 HydrophobicContact CB-CE2 4.2Å; L81-F242 HydrophobicContact CB-CG 4.09Å; L81-F242 HydrophobicContact CD1-CD2 4.23Å; L81-L247 HydrophobicContact CD1-CD2 3.99Å; L81-L247 HydrophobicContact CD2-CD2 3.87Å; L81-L247 HydrophobicContact CG-CD2 4.43Å
82	S	86.3	Confident	82.1	Confident	19 Å²	19	35.8 Å²	35.8	13%	0.133	19%	0.192	C	C	.	.			trans	-60.1	143.3	175.5	-178.4	0	0	0	0	110.6	W79 K84 E240	W79-S82 WeakPolarHBondContact O-CB 3.25Å; W79-S82 PolarHBondContact O-N 2.82Å; S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 WeakPolarHBondContact OG-CB 3.43Å; S82-K84 WeakPolarHBondContact OG-CG 3.44Å; S82-K84 PolarHBondContact OG-N 2.93Å; S82-E240 VanDerWaalsContact CB-OE1 3.22Å; S82-E240 WeakPolarHBondContact CB-OE1 3.43Å; S82-E240 PolarHBondContact OG-OE1 2.96Å
83	T	76.5	Confident	80	Confident	83 Å²	83	41 Å²	41	51%	0.509	22%	0.218	S	C	.	.			trans	-89.4	0.5	174.1	58.4	0	0	0	0	112.4	N243 D246	T83-N243 HydrophobicContact CG2-CB 4.24Å; T83-D246 VanDerWaalsContact CG2-OD2 3.25Å; T83-D246 WeakPolarHBondContact CG2-OD2 3.46Å
84	K	81.3	Confident	77.9	Confident	81 Å²	81	52 Å²	52	35%	0.352	26%	0.26	S	S	.	.	S	Bend	trans	-63	146.4	178.4	-72.4	176.3	173	159.8	0	111.2	S82 E88 E240	S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 WeakPolarHBondContact OG-CB 3.43Å; S82-K84 WeakPolarHBondContact OG-CG 3.44Å; S82-K84 PolarHBondContact OG-N 2.93Å; K84-E88 HydrophobicContact CB-CB 4.4Å; K84-E240 WeakPolarHBondContact CE-OE2 3.38Å; K84-E240 IonicContact NZ-OE2 3.27Å; K84-E240 PolarHBondContact NZ-OE2 2.83Å
85	A	79	Confident	76.1	Confident	46 Å²	46	55.1 Å²	55.1	38%	0.38	28%	0.278	S	S	.	.			trans	-66	148.6	171.5	0	0	0	0	0	109.9	D87 E88 C89	A85-D87 WeakPolarHBondContact CB-OD1 3.37Å; A85-D87 PolarHBondContact O-N 2.79Å; A85-E88 HydrophobicContact CB-CG 4.37Å; A85-E88 WeakPolarHBondContact O-CB 3.39Å; A85-E88 PolarHBondContact O-N 2.86Å; A85-C89 PolarHBondContact O-N 2.82Å; A85-C89 PolarHBondContact O-SG 3.49Å
86	Q	69.1	Low	74.7	Confident	126 Å²	126	56.5 Å²	56.5	59%	0.589	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.6	-172.2	-176	176.7	-1.2	0	0	113.1	C89	Q86-C89 WeakPolarHBondContact O-CB 3.34Å; Q86-C89 PolarHBondContact O-N 2.83Å
87	D	74.6	Confident	74.4	Confident	130 Å²	130	57.3 Å²	57.3	70%	0.695	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.6	176.6	58.8	-43.1	0	0	0	113.5	A85 C89	A85-D87 WeakPolarHBondContact CB-OD1 3.37Å; A85-D87 PolarHBondContact O-N 2.79Å; D87-C89 VanDerWaalsContact C-N 3.29Å
88	E	80.6	Confident	74.5	Confident	113 Å²	113	56.1 Å²	56.1	53%	0.528	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.8	172	-63.2	179.2	-168.9	0	0	112.4	K84 A85 L90	K84-E88 HydrophobicContact CB-CB 4.4Å; A85-E88 HydrophobicContact CB-CG 4.37Å; A85-E88 WeakPolarHBondContact O-CB 3.39Å; A85-E88 PolarHBondContact O-N 2.86Å; E88-L90 PolarHBondContact O-N 3.05Å
89	C	78.8	Confident	74.6	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.061	29%	0.286	C	S	.	.			trans	-76.2	93.1	176.4	-57.6	0	0	0	0	109.2	Q49 D77 C78 A85 Q86 D87	Q49-C89 PolarHBondContact NE2-O 3.11Å; D77-C89 VanDerWaalsContact OD1-C 3.31Å; D77-C89 WeakPolarHBondContact OD1-CA 3.34Å; C78-C89 HydrophobicContact CB-CB 3.68Å; C78-C89 WeakPolarHBondContact CB-SG 3.11Å; C78-C89 WeakPolarHBondContact SG-CA 3.21Å; C78-C89 WeakPolarHBondContact SG-CB 3.31Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 2.86Å; A85-C89 PolarHBondContact O-N 2.82Å; A85-C89 PolarHBondContact O-SG 3.49Å; Q86-C89 WeakPolarHBondContact O-CB 3.34Å; Q86-C89 PolarHBondContact O-N 2.83Å; D87-C89 VanDerWaalsContact C-N 3.29Å
90	L	71.3	Confident	74.8	Confident	73 Å²	73	56 Å²	56	38%	0.382	29%	0.286	S	S	.	.			trans	-82	142.8	-179	-63.9	174.5	0	0	0	109.8	D77 E88 A92	D77-L90 PolarHBondContact N-O 2.91Å; D77-L90 PolarHBondContact OD1-N 2.77Å; D77-L90 VanDerWaalsContact OD1-O 3.11Å; E88-L90 PolarHBondContact O-N 3.05Å; L90-A92 PolarHBondContact O-N 3.26Å
91	P	59.6	Low	75	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.032	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-54.9	128.3	160.6	-24.3	34.9	0	0	0	109	M93 K511 F512	P91-M93 PolarHBondContact O-N 3.45Å; P91-K511 HydrophobicContact CG-CD 4.05Å; P91-K511 HydrophobicContact CG-CG 4.44Å; P91-F512 HydrophobicContact CB-CD2 4.4Å; P91-F512 HydrophobicContact CB-CE2 3.7Å
92	A	55.6	Low	75.4	Confident	5 Å²	5	55.9 Å²	55.9	4%	0.041	29%	0.285	C	S	.	.			trans	-39.3	117.7	-179.5	0	0	0	0	0	112.7	L90 S96 E97 F512	L90-A92 PolarHBondContact O-N 3.26Å; A92-S96 VanDerWaalsContact CB-CB 3.41Å; A92-E97 WeakPolarHBondContact CB-O 3.2Å; A92-F512 WeakPolarHBondContact O-CZ 3.26Å
93	M	52.4	Low	75.9	Confident	111 Å²	111	55 Å²	55	55%	0.547	28%	0.278	S	S	.	.			trans	-121.3	133.9	-178.1	-136.8	-155.6	-65.2	0	0	111.5	P91 T95 F512	P91-M93 PolarHBondContact O-N 3.45Å; M93-T95 PolarHBondContact O-N 3.48Å; M93-T95 PolarHBondContact O-OG1 3.18Å; M93-F512 HydrophobicContact CG-CE1 4.29Å; M93-F512 HydrophobicContact CG-CZ 3.97Å
94	R	50.5	Low	76.8	Confident	231 Å²	231	53.2 Å²	53.2	87%	0.872	26%	0.263	S	S	*	.	S	Bend	trans	46	-33.5	177.2	-71.6	-158.6	175.9	-176.6	0.3	120.3
95	T	56.4	Low	77.4	Confident	73 Å²	73	49.3 Å²	49.3	45%	0.448	25%	0.247	S	C	.	.	S	Bend	trans	-110.4	-5.6	178.2	54.5	0	0	0	0	112.8	M93 F193	M93-T95 PolarHBondContact O-N 3.48Å; M93-T95 PolarHBondContact O-OG1 3.18Å; T95-F193 HydrophobicContact CG2-CE1 3.92Å; T95-F193 HydrophobicContact CG2-CZ 4.29Å; T95-F193 WeakPolarHBondContact O-CD1 3.06Å
96	S	63.4	Low	78.1	Confident	30 Å²	30	47.2 Å²	47.2	21%	0.21	23%	0.229	C	C	.	.	S	Bend	trans	-120.9	158.7	-167.5	-60.8	0	0	0	0	112.8	A92	A92-S96 VanDerWaalsContact CB-CB 3.41Å
97	E	82.9	Confident	79.3	Confident	18 Å²	18	41.2 Å²	41.2	8%	0.084	20%	0.201	C	C	.	.			trans	-74.9	128.2	-175.7	-158.4	177	172.3	0	0	112.7	A92 V99 S128 R180 I182	A92-E97 WeakPolarHBondContact CB-O 3.2Å; E97-V99 HydrophobicContact CB-CG2 4.25Å; E97-V99 HydrophobicContact CG-CG2 3.72Å; E97-V99 PolarHBondContact O-N 3.46Å; E97-S128 WeakPolarHBondContact CG-OG 3.49Å; E97-S128 WeakPolarHBondContact OE1-CB 3.48Å; E97-S128 PolarHBondContact OE1-OG 3.03Å; E97-R180 WeakPolarHBondContact OE2-CB 3.49Å; E97-R180 WeakPolarHBondContact OE2-CD 3.49Å; E97-R180 WeakPolarHBondContact OE2-CG 3.36Å; E97-R180 IonicContact OE2-NE 3.3Å; E97-I182 VanDerWaalsContact CA-CD1 3.43Å; E97-I182 HydrophobicContact CB-CD1 3.47Å; E97-I182 VanDerWaalsContact CB-CD1 3.47Å; E97-I182 HydrophobicContact CB-CG1 4.18Å; E97-I182 HydrophobicContact CG-CD1 3.98Å; E97-I182 HydrophobicContact CG-CG1 4.26Å; E97-I182 VanDerWaalsContact N-CD1 3.26Å
98	V	88.6	Confident	80	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.055	17%	0.168	C	C	.	.			trans	-91.8	102.5	173.3	-174	0	0	0	0	107.5	V129 S130 V515	V98-V129 HydrophobicContact CB-CG2 3.96Å; V98-V129 HydrophobicContact CG1-CG2 3.57Å; V98-V129 WeakPolarHBondContact O-CG2 3.44Å; V98-V129 PolarHBondContact O-N 2.8Å; V98-S130 PolarHBondContact N-OG 3.04Å; V98-V515 HydrophobicContact CG1-CG1 4.24Å
99	V	92	Very high	80.5	Confident	2 Å²	2	33 Å²	33	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.7	177.3	-174.4	0	0	0	0	108.9	V74 E75 E97 M126 R127	V74-V99 WeakPolarHBondContact CG2-O 3.16Å; E75-V99 HydrophobicContact CB-CB 4.15Å; E75-V99 HydrophobicContact CG-CB 3.91Å; E75-V99 HydrophobicContact CG-CG1 4Å; E75-V99 PolarHBondContact N-O 2.92Å; E75-V99 VanDerWaalsContact OE2-CB 3.27Å; E75-V99 WeakPolarHBondContact OE2-CB 3.34Å; E75-V99 VanDerWaalsContact OE2-CG1 3.3Å; E75-V99 WeakPolarHBondContact OE2-CG1 3.43Å; E97-V99 HydrophobicContact CB-CG2 4.25Å; E97-V99 HydrophobicContact CG-CG2 3.72Å; E97-V99 PolarHBondContact O-N 3.46Å; V99-M126 HydrophobicContact CG1-CB 4.02Å; V99-M126 HydrophobicContact CG1-CE 4.24Å; V99-R127 WeakPolarHBondContact CA-O 3.36Å
100	I	93.8	Very high	80.8	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	161.3	176.3	62.1	166.6	0	0	0	110	V73 V74 M126 R127 V129 L464 V515 F518 F519	V73-I100 CarbonylContact O-C 3.59Å; V73-I100 WeakPolarHBondContact O-CA 3.45Å; V74-I100 HydrophobicContact CG2-CG2 4.34Å; I100-M126 CarbonylContact O-C 3.58Å; I100-M126 WeakPolarHBondContact O-CA 3.11Å; I100-R127 PolarHBondContact N-O 2.84Å; I100-R127 PolarHBondContact O-N 2.71Å; I100-V129 HydrophobicContact CD1-CG1 3.6Å; I100-V129 HydrophobicContact CG1-CG1 3.71Å; I100-V129 HydrophobicContact CG1-CG2 4.42Å; I100-V129 HydrophobicContact CG2-CG2 4.17Å; I100-L464 HydrophobicContact CD1-CD1 4.29Å; I100-V515 HydrophobicContact CG2-CB 4.28Å; I100-V515 HydrophobicContact CG2-CG2 4.24Å; I100-F518 HydrophobicContact CD1-CB 3.42Å; I100-F518 VanDerWaalsContact CD1-CB 3.42Å; I100-F518 HydrophobicContact CD1-CG 4.23Å; I100-F519 HydrophobicContact CB-CE2 4.32Å; I100-F519 HydrophobicContact CB-CZ 3.86Å; I100-F519 HydrophobicContact CD1-CD2 4.44Å; I100-F519 HydrophobicContact CD1-CE1 4.46Å; I100-F519 HydrophobicContact CD1-CE2 3.89Å; I100-F519 HydrophobicContact CD1-CZ 3.92Å; I100-F519 HydrophobicContact CG1-CZ 4.37Å; I100-F519 HydrophobicContact CG2-CE2 4.48Å; I100-F519 HydrophobicContact CG2-CZ 4.41Å
101	G	95.3	Very high	80.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	167.2	178.6	0	0	0	0	0	114.7	V73 T125 L470 F519	V73-G101 WeakPolarHBondContact CG2-O 3.4Å; V73-G101 PolarHBondContact N-O 3.05Å; V73-G101 PolarHBondContact O-N 3.07Å; G101-T125 CarbonylContact C-O 3.59Å; G101-T125 WeakPolarHBondContact CA-O 3.2Å; G101-L470 VanDerWaalsContact CA-CD2 3.44Å; G101-F519 WeakPolarHBondContact O-CE1 3.44Å
102	Q	95.8	Very high	81	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.5	171.6	-117.1	-176.3	-1.1	0	0	109.2	V70 L71 D72 C124 T125 L470 P473 F519	V70-Q102 HydrophobicContact CG1-CG 4.24Å; L71-Q102 CarbonylContact O-C 3.58Å; L71-Q102 VanDerWaalsContact O-CA 3.32Å; L71-Q102 WeakPolarHBondContact O-CA 3.34Å; D72-Q102 WeakPolarHBondContact OD1-CG 2.97Å; D72-Q102 PolarHBondContact OD1-NE2 3.05Å; Q102-C124 CarbonylContact O-C 3.57Å; Q102-C124 VanDerWaalsContact O-CA 3.26Å; Q102-C124 WeakPolarHBondContact O-CA 3.27Å; Q102-T125 PolarHBondContact N-O 2.74Å; Q102-T125 PolarHBondContact O-N 2.91Å; Q102-L470 HydrophobicContact CB-CD2 3.93Å; Q102-P473 VanDerWaalsContact O-CD 3.28Å; Q102-P473 WeakPolarHBondContact O-CD 2.94Å; Q102-P473 WeakPolarHBondContact O-CG 3.47Å; Q102-F519 HydrophobicContact CG-CD1 4.34Å; Q102-F519 HydrophobicContact CG-CE1 4.35Å
103	C	96.3	Very high	81.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128	178.9	-62.6	0	0	0	0	110.7	V70 L71 V105 N123 C124	V70-C103 CarbonylContact C-O 3.56Å; V70-C103 WeakPolarHBondContact CA-O 3.4Å; L71-C103 HydrophobicContact CB-CB 4.32Å; L71-C103 PolarHBondContact N-O 2.67Å; L71-C103 PolarHBondContact O-N 2.86Å; C103-V105 HydrophobicContact CB-CG2 4.08Å; C103-N123 CarbonylContact C-O 3.53Å; C103-N123 WeakPolarHBondContact CA-O 3.43Å; C103-C124 HydrophobicContact CB-CB 4.11Å; C103-C124 WeakPolarHBondContact CB-SG 3.4Å; C103-C124 WeakPolarHBondContact SG-CB 3.16Å; C103-C124 CovalentContact SG-SG 2.04Å; C103-C124 PolarHBondContact SG-SG 3.26Å
104	K	95.5	Very high	81.1	Confident	45 Å²	45	46.2 Å²	46.2	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.6	163	-72.6	-168.1	-178.5	156.9	0	108.8	L69 V70 Y122 N123 P473 A475 F496	L69-K104 CarbonylContact O-C 3.5Å; L69-K104 WeakPolarHBondContact O-CA 3.2Å; V70-K104 HydrophobicContact CG2-CG 4.19Å; K104-Y122 CarbonylContact O-C 3.57Å; K104-Y122 WeakPolarHBondContact O-CA 3.26Å; K104-Y122 WeakPolarHBondContact O-CB 3.31Å; K104-N123 PolarHBondContact N-O 2.77Å; K104-N123 PolarHBondContact O-N 3.2Å; K104-P473 HydrophobicContact CB-CG 4.23Å; K104-P473 WeakPolarHBondContact CD-O 3.49Å; K104-P473 WeakPolarHBondContact CE-O 3.27Å; K104-P473 HydrophobicContact CG-CG 4.05Å; K104-P473 PolarHBondContact NZ-O 3.39Å; K104-A475 HydrophobicContact CD-CB 3.97Å; K104-F496 HydrophobicContact CB-CE1 4.37Å; K104-F496 HydrophobicContact CB-CE2 4.15Å; K104-F496 HydrophobicContact CB-CZ 3.9Å; K104-F496 HydrophobicContact CD-CD1 4.31Å; K104-F496 HydrophobicContact CD-CE1 4.38Å; K104-F496 HydrophobicContact CD-CG 4.48Å; K104-F496 HydrophobicContact CG-CE1 4.35Å; K104-F496 HydrophobicContact CG-CZ 4.38Å
105	V	94.9	Very high	81.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.8	-173.6	-170.1	0	0	0	0	111	V34 I38 L69 L71 C103 V119 F496	V34-V105 HydrophobicContact CG1-CB 4.29Å; V34-V105 HydrophobicContact CG1-CG1 3.49Å; V34-V105 VanDerWaalsContact CG1-CG1 3.49Å; V34-V105 HydrophobicContact CG1-CG2 4.5Å; I38-V105 HydrophobicContact CD1-CG1 4.09Å; I38-V105 HydrophobicContact CD1-CG2 3.78Å; L69-V105 HydrophobicContact CB-CB 4.45Å; L69-V105 PolarHBondContact N-O 2.95Å; L69-V105 PolarHBondContact O-N 3.49Å; L71-V105 HydrophobicContact CD1-CG2 3.95Å; L71-V105 HydrophobicContact CG-CG2 4.35Å; C103-V105 HydrophobicContact CB-CG2 4.08Å; V105-V119 HydrophobicContact CG1-CG1 3.88Å; V105-F496 WeakPolarHBondContact O-CZ 3.45Å
106	I	93.4	Very high	82.4	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.6	164.3	-60.3	-176.7	0	0	0	108.8	I66 Y67 Y68 N120 G121 F477 I493 F496	I66-I106 HydrophobicContact CG2-CG2 3.64Å; Y67-I106 VanDerWaalsContact O-CA 3.3Å; Y67-I106 WeakPolarHBondContact O-CA 3.03Å; Y68-I106 HydrophobicContact CD1-CD1 3.7Å; Y68-I106 HydrophobicContact CD1-CG1 3.78Å; Y68-I106 HydrophobicContact CE1-CD1 3.53Å; Y68-I106 HydrophobicContact CE1-CG1 4.05Å; I106-N120 HydrophobicContact CB-CB 4.25Å; I106-N120 HydrophobicContact CG2-CB 3.95Å; I106-N120 PolarHBondContact O-N 3.27Å; I106-G121 PolarHBondContact N-O 2.9Å; I106-G121 PolarHBondContact O-N 3.05Å; I106-F477 HydrophobicContact CB-CE2 4.28Å; I106-F477 HydrophobicContact CB-CZ 4.26Å; I106-F477 HydrophobicContact CD1-CE2 3.71Å; I106-F477 HydrophobicContact CD1-CZ 3.4Å; I106-F477 HydrophobicContact CG1-CE2 3.97Å; I106-F477 HydrophobicContact CG1-CZ 3.52Å; I106-I493 HydrophobicContact CD1-CG2 3.41Å; I106-I493 VanDerWaalsContact CD1-CG2 3.41Å; I106-I493 HydrophobicContact CG2-CD1 4.43Å; I106-I493 HydrophobicContact CG2-CG2 4.27Å; I106-F496 HydrophobicContact CD1-CD2 4.23Å; I106-F496 HydrophobicContact CD1-CE2 4Å; I106-F496 HydrophobicContact CG1-CD2 4.27Å; I106-F496 HydrophobicContact CG1-CE2 3.56Å; I106-F496 HydrophobicContact CG1-CZ 4.3Å
107	A	92.8	Very high	83.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142	177.1	0	0	0	0	0	110.8	V34 I66 Y67 L117 S118 N120	V34-A107 HydrophobicContact CG2-CB 3.68Å; I66-A107 CarbonylContact C-O 3.53Å; I66-A107 WeakPolarHBondContact CA-O 3.38Å; Y67-A107 PolarHBondContact N-O 2.96Å; Y67-A107 PolarHBondContact O-N 3.07Å; A107-L117 HydrophobicContact CB-CD1 4.12Å; A107-S118 CarbonylContact C-O 3.55Å; A107-S118 VanDerWaalsContact CA-O 3.29Å; A107-S118 WeakPolarHBondContact CA-O 3.26Å; A107-N120 VanDerWaalsContact C-OD1 3.3Å; A107-N120 WeakPolarHBondContact CA-OD1 3.2Å
108	T	91	Very high	83.9	Confident	1 Å²	1	42 Å²	42	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.6	177.6	-52.2	0	0	0	0	109.4	A64 I66 Y110 L117 S118 N120 P491	A64-T108 HydrophobicContact CB-CG2 3.93Å; I66-T108 HydrophobicContact CG1-CG2 4.49Å; T108-Y110 HydrophobicContact CG2-CD2 3.93Å; T108-Y110 HydrophobicContact CG2-CE1 4.43Å; T108-Y110 HydrophobicContact CG2-CE2 3.3Å; T108-L117 WeakPolarHBondContact O-CA 3.45Å; T108-S118 PolarHBondContact N-O 2.67Å; T108-S118 PolarHBondContact O-N 3.3Å; T108-N120 WeakPolarHBondContact CB-OD1 3.29Å; T108-N120 PolarHBondContact N-OD1 2.87Å; T108-N120 VanDerWaalsContact OG1-CG 3.26Å; T108-N120 PolarHBondContact OG1-ND2 2.65Å; T108-N120 PolarHBondContact OG1-OD1 3.3Å; T108-P491 HydrophobicContact CG2-CG 4.45Å
109	R	89.9	Confident	84	Confident	70 Å²	70	42.6 Å²	42.6	26%	0.264	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	168.9	-173.6	-174.4	-176.5	105.4	3.9	108.7	A64 T65 Y67 D116 L117	A64-R109 CarbonylContact C-O 3.55Å; A64-R109 WeakPolarHBondContact CA-O 3.28Å; T65-R109 PolarHBondContact N-O 2.71Å; T65-R109 PolarHBondContact O-N 3.18Å; Y67-R109 HydrophobicContact CD2-CB 4.49Å; Y67-R109 HydrophobicContact CE2-CB 3.81Å; R109-D116 WeakPolarHBondContact CA-O 3.41Å; R109-L117 HydrophobicContact CB-CD1 4.25Å
110	Y	85.2	Confident	83.9	Confident	30 Å²	30	43.6 Å²	43.6	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	145.1	173.2	-63.4	-101.5	0	0	0	109.7	A64 T108 N112 D116	A64-Y110 HydrophobicContact CB-CD1 3.85Å; A64-Y110 HydrophobicContact CB-CE1 3.98Å; A64-Y110 HydrophobicContact CB-CG 4.35Å; T108-Y110 HydrophobicContact CG2-CD2 3.93Å; T108-Y110 HydrophobicContact CG2-CE1 4.43Å; T108-Y110 HydrophobicContact CG2-CE2 3.3Å; Y110-N112 PolarHBondContact O-N 2.99Å; Y110-D116 VanDerWaalsContact CB-OD2 3.23Å; Y110-D116 WeakPolarHBondContact CB-OD2 3.33Å; Y110-D116 HydrophobicContact CD2-CB 4.47Å; Y110-D116 WeakPolarHBondContact CD2-OD2 3.41Å; Y110-D116 PolarHBondContact N-O 3.21Å
111	S	72.2	Confident	83.7	Confident	83 Å²	83	43.6 Å²	43.6	58%	0.58	23%	0.229	S	C	*	.	S	Bend	trans	-70.4	-20.7	-177.5	-62.8	0	0	0	0	112.5	T63 E113	T63-S111 WeakPolarHBondContact O-CB 3.42Å; T63-S111 PolarHBondContact O-N 2.94Å; T63-S111 PolarHBondContact O-OG 3.19Å; T63-S111 VanDerWaalsContact O-OG 3.13Å; S111-E113 PolarHBondContact O-N 2.68Å
112	N	62.4	Low	83.7	Confident	123 Å²	123	44.4 Å²	44.4	66%	0.658	23%	0.232	S	C	*	.	S	Bend	trans	-81	98	175.1	-65.8	-3.7	0	0	0	108.4	Y110	Y110-N112 PolarHBondContact O-N 2.99Å
113	E	58.5	Low	83.6	Confident	158 Å²	158	43.9 Å²	43.9	74%	0.738	23%	0.23	S	C	*	.	S	Bend	trans	74.1	136	175.4	-53.8	-178.1	172.9	0	0	116.2	S111 Q115 D116	S111-E113 PolarHBondContact O-N 2.68Å; E113-Q115 PolarHBondContact O-N 3.44Å; E113-D116 PolarHBondContact O-N 2.61Å
114	S	52.1	Low	83.6	Confident	86 Å²	86	43.9 Å²	43.9	60%	0.601	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.9	-172.8	59.7	0	0	0	0	115.1
115	Q	57.3	Low	83.6	Confident	172 Å²	172	42.3 Å²	42.3	80%	0.804	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-7.5	-176.5	-64.7	-174.5	-6.3	0	0	114.1	E113 L117	E113-Q115 PolarHBondContact O-N 3.44Å; Q115-L117 PolarHBondContact O-N 3.01Å
116	D	77.6	Confident	83.5	Confident	38 Å²	38	42.3 Å²	42.3	20%	0.203	22%	0.224	C	C	.	.			trans	-86.7	50.2	-178.5	-160.1	9.2	0	0	0	112.4	R109 Y110 E113 R257	R109-D116 WeakPolarHBondContact CA-O 3.41Å; Y110-D116 VanDerWaalsContact CB-OD2 3.23Å; Y110-D116 WeakPolarHBondContact CB-OD2 3.33Å; Y110-D116 HydrophobicContact CD2-CB 4.47Å; Y110-D116 WeakPolarHBondContact CD2-OD2 3.41Å; Y110-D116 PolarHBondContact N-O 3.21Å; E113-D116 PolarHBondContact O-N 2.61Å; D116-R257 IonicContact OD1-CZ 2.72Å; D116-R257 IonicContact OD1-NE 2.78Å; D116-R257 PolarHBondContact OD1-NE 3.02Å; D116-R257 IonicContact OD1-NH2 2.74Å; D116-R257 PolarHBondContact OD1-NH2 3.06Å; D116-R257 IonicContact OD2-NE 3.96Å; D116-R257 IonicContact OD2-NH2 3.65Å
117	L	89	Confident	83.5	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	169.1	-179.7	64.6	0	0	0	109.3	L30 K33 V34 L37 A107 T108 R109 Q115	L30-L117 HydrophobicContact CD1-CD1 3.84Å; L30-L117 HydrophobicContact CD1-CD2 3.83Å; L30-L117 HydrophobicContact CD1-CG 4.46Å; K33-L117 HydrophobicContact CB-CD2 3.78Å; V34-L117 HydrophobicContact CG2-CD1 4.33Å; V34-L117 HydrophobicContact CG2-CD2 3.95Å; V34-L117 HydrophobicContact CG2-CG 4.47Å; L37-L117 HydrophobicContact CD1-CB 4.46Å; L37-L117 HydrophobicContact CD1-CD2 4.09Å; L37-L117 HydrophobicContact CD1-CG 4Å; L37-L117 WeakPolarHBondContact CD1-O 3.28Å; A107-L117 HydrophobicContact CB-CD1 4.12Å; T108-L117 WeakPolarHBondContact O-CA 3.45Å; R109-L117 HydrophobicContact CB-CD1 4.25Å; Q115-L117 PolarHBondContact O-N 3.01Å
118	S	88.9	Confident	83.5	Confident	29 Å²	29	44.4 Å²	44.4	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.6	176.6	64.8	0	0	0	0	111.2	A107 T108 N120	A107-S118 CarbonylContact C-O 3.55Å; A107-S118 VanDerWaalsContact CA-O 3.29Å; A107-S118 WeakPolarHBondContact CA-O 3.26Å; T108-S118 PolarHBondContact N-O 2.67Å; T108-S118 PolarHBondContact O-N 3.3Å; S118-N120 PolarHBondContact O-OD1 2.65Å
119	V	90.5	Very high	83.5	Confident	21 Å²	21	44.3 Å²	44.3	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.2	170.4	-176.2	0	0	0	0	108.6	V34 L37 I38 V105 Y122 I455	V34-V119 HydrophobicContact CG1-CG2 4.13Å; L37-V119 HydrophobicContact CB-CG2 3.85Å; L37-V119 HydrophobicContact CD1-CG2 4.11Å; I38-V119 HydrophobicContact CG1-CG1 4.31Å; I38-V119 HydrophobicContact CG1-CG2 4.38Å; V105-V119 HydrophobicContact CG1-CG1 3.88Å; V119-Y122 HydrophobicContact CG1-CD1 4.14Å; V119-I455 HydrophobicContact CB-CD1 4.13Å; V119-I455 HydrophobicContact CG1-CD1 4.07Å
120	N	88.8	Confident	83.4	Confident	23 Å²	23	41 Å²	41	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-40.5	179.7	-59	75.4	0	0	0	110.9	I106 A107 T108 S118 I493	I106-N120 HydrophobicContact CB-CB 4.25Å; I106-N120 HydrophobicContact CG2-CB 3.95Å; I106-N120 PolarHBondContact O-N 3.27Å; A107-N120 VanDerWaalsContact C-OD1 3.3Å; A107-N120 WeakPolarHBondContact CA-OD1 3.2Å; T108-N120 WeakPolarHBondContact CB-OD1 3.29Å; T108-N120 PolarHBondContact N-OD1 2.87Å; T108-N120 VanDerWaalsContact OG1-CG 3.26Å; T108-N120 PolarHBondContact OG1-ND2 2.65Å; T108-N120 PolarHBondContact OG1-OD1 3.3Å; S118-N120 PolarHBondContact O-OD1 2.65Å; N120-I493 HydrophobicContact CB-CD1 3.9Å
121	G	91.4	Very high	83.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	161.9	172.6	0	0	0	0	0	112.9	I106 I455	I106-G121 PolarHBondContact N-O 2.9Å; I106-G121 PolarHBondContact O-N 3.05Å; G121-I455 CarbonylContact C-O 3.5Å; G121-I455 WeakPolarHBondContact CA-O 3.14Å
122	Y	93.9	Very high	84.2	Confident	17 Å²	17	37.2 Å²	37.2	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.5	179.1	70	-87.7	0	0	0	112.4	I38 R42 K104 V119 I455 G456 Y457 V458	I38-Y122 HydrophobicContact CD1-CD1 4.16Å; I38-Y122 HydrophobicContact CD1-CD2 4.39Å; I38-Y122 HydrophobicContact CD1-CG 3.97Å; I38-Y122 HydrophobicContact CG1-CD1 3.88Å; I38-Y122 HydrophobicContact CG1-CE1 4.11Å; I38-Y122 HydrophobicContact CG1-CG 4.18Å; I38-Y122 HydrophobicContact CG2-CD1 4.49Å; I38-Y122 HydrophobicContact CG2-CD2 4.31Å; I38-Y122 HydrophobicContact CG2-CE1 4.09Å; I38-Y122 HydrophobicContact CG2-CE2 3.93Å; R42-Y122 WeakPolarHBondContact CG-OH 3.28Å; K104-Y122 CarbonylContact O-C 3.57Å; K104-Y122 WeakPolarHBondContact O-CA 3.26Å; K104-Y122 WeakPolarHBondContact O-CB 3.31Å; V119-Y122 HydrophobicContact CG1-CD1 4.14Å; Y122-I455 HydrophobicContact CD1-CD1 4.34Å; Y122-I455 HydrophobicContact CD1-CG1 4.18Å; Y122-I455 HydrophobicContact CE1-CD1 4.23Å; Y122-I455 HydrophobicContact CE1-CG1 3.89Å; Y122-I455 PolarHBondContact N-O 2.87Å; Y122-G456 CarbonylContact O-C 3.48Å; Y122-G456 WeakPolarHBondContact O-CA 3.21Å; Y122-Y457 PolarHBondContact O-N 2.86Å; Y122-V458 HydrophobicContact CE2-CG2 4.2Å
123	N	94.7	Very high	85.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.3	162.8	-81.4	-19.7	0	0	0	108.7	C103 K104 Y457 Y459 P473 E474 N476 F477	C103-N123 CarbonylContact C-O 3.53Å; C103-N123 WeakPolarHBondContact CA-O 3.43Å; K104-N123 PolarHBondContact N-O 2.77Å; K104-N123 PolarHBondContact O-N 3.2Å; N123-Y457 CarbonylContact C-O 3.58Å; N123-Y457 WeakPolarHBondContact CA-O 3.34Å; N123-Y457 PolarHBondContact OD1-N 2.91Å; N123-Y459 HydrophobicContact CB-CE2 4.2Å; N123-P473 HydrophobicContact CB-CB 3.97Å; N123-P473 HydrophobicContact CB-CG 4.34Å; N123-P473 VanDerWaalsContact O-CG 3.29Å; N123-P473 WeakPolarHBondContact O-CG 3.3Å; N123-E474 PolarHBondContact ND2-O 2.94Å; N123-N476 PolarHBondContact ND2-OD1 2.86Å; N123-F477 HydrophobicContact CB-CD1 4.48Å
124	C	95.6	Very high	86.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.5	174.8	-57.3	0	0	0	0	110.9	F48 Q102 C103 M126 Y457 V458 Y459	F48-C124 HydrophobicContact CE2-CB 4.38Å; Q102-C124 CarbonylContact O-C 3.57Å; Q102-C124 VanDerWaalsContact O-CA 3.26Å; Q102-C124 WeakPolarHBondContact O-CA 3.27Å; C103-C124 HydrophobicContact CB-CB 4.11Å; C103-C124 WeakPolarHBondContact CB-SG 3.4Å; C103-C124 WeakPolarHBondContact SG-CB 3.16Å; C103-C124 CovalentContact SG-SG 2.04Å; C103-C124 PolarHBondContact SG-SG 3.26Å; C124-M126 HydrophobicContact CB-SD 4.09Å; C124-Y457 PolarHBondContact N-O 3.22Å; C124-V458 HydrophobicContact CB-CG1 4.47Å; C124-V458 HydrophobicContact CB-CG2 4.33Å; C124-Y459 WeakPolarHBondContact O-CD2 3.42Å; C124-Y459 PolarHBondContact O-N 2.53Å
125	T	95	Very high	87.8	Confident	11 Å²	11	27.8 Å²	27.8	7%	0.067	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.9	165	42.1	0	0	0	0	109.2	G101 Q102 Y459 L461 T471 P473	G101-T125 CarbonylContact C-O 3.59Å; G101-T125 WeakPolarHBondContact CA-O 3.2Å; Q102-T125 PolarHBondContact N-O 2.74Å; Q102-T125 PolarHBondContact O-N 2.91Å; T125-Y459 CarbonylContact C-O 3.58Å; T125-Y459 WeakPolarHBondContact CA-O 3.18Å; T125-L461 HydrophobicContact CG2-CD1 3.85Å; T125-T471 PolarHBondContact OG1-O 3.2Å; T125-P473 HydrophobicContact CG2-CB 3.9Å; T125-P473 WeakPolarHBondContact OG1-CD 2.93Å
126	M	94.1	Very high	88.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.4	-176.2	-50.7	-57.4	-57.5	0	0	109.9	F48 V73 E75 V99 I100 C124 V458 Y459 L461	F48-M126 HydrophobicContact CD1-CE 4.14Å; F48-M126 HydrophobicContact CE1-CE 3.6Å; F48-M126 HydrophobicContact CE1-SD 3.8Å; F48-M126 HydrophobicContact CZ-CE 4.18Å; F48-M126 HydrophobicContact CZ-CG 4.42Å; F48-M126 HydrophobicContact CZ-SD 3.74Å; V73-M126 HydrophobicContact CG2-CE 4.14Å; V73-M126 HydrophobicContact CG2-SD 4.23Å; E75-M126 HydrophobicContact CG-CE 3.5Å; V99-M126 HydrophobicContact CG1-CB 4.02Å; V99-M126 HydrophobicContact CG1-CE 4.24Å; I100-M126 CarbonylContact O-C 3.58Å; I100-M126 WeakPolarHBondContact O-CA 3.11Å; C124-M126 HydrophobicContact CB-SD 4.09Å; M126-V458 HydrophobicContact CG-CG1 3.52Å; M126-V458 HydrophobicContact SD-CG1 4.44Å; M126-Y459 PolarHBondContact N-O 3.41Å; M126-L461 PolarHBondContact O-N 2.73Å
127	R	93.6	Very high	88.8	Confident	40 Å²	40	31.9 Å²	31.9	15%	0.151	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	140.3	176.8	-68.5	-175.1	80.7	173	-7.4	111.2	V99 I100 L461 P462 P463 L464 E468 L470	V99-R127 WeakPolarHBondContact CA-O 3.36Å; I100-R127 PolarHBondContact N-O 2.84Å; I100-R127 PolarHBondContact O-N 2.71Å; R127-L461 HydrophobicContact CG-CB 3.6Å; R127-L461 HydrophobicContact CG-CD1 4.38Å; R127-P462 PolarHBondContact NE-O 2.02Å; R127-P462 PolarHBondContact NH2-O 3.33Å; R127-P463 PolarHBondContact NH2-O 3.38Å; R127-L464 HydrophobicContact CB-CD1 3.91Å; R127-L464 HydrophobicContact CB-CG 3.86Å; R127-L464 HydrophobicContact CG-CG 4.34Å; R127-E468 IonicContact NH2-OE2 3.13Å; R127-E468 PolarHBondContact NH2-OE2 3.29Å; R127-L470 HydrophobicContact CB-CD1 4.05Å; R127-L470 HydrophobicContact CG-CD1 3.67Å
128	S	92.1	Very high	88.4	Confident	5 Å²	5	38 Å²	38	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.1	169.8	-163.4	0	0	0	0	110	E97 P463 L464	E97-S128 WeakPolarHBondContact CG-OG 3.49Å; E97-S128 WeakPolarHBondContact OE1-CB 3.48Å; E97-S128 PolarHBondContact OE1-OG 3.03Å; S128-P463 CarbonylContact O-C 3.55Å; S128-P463 WeakPolarHBondContact O-CA 3.34Å; S128-L464 PolarHBondContact O-N 3.27Å
129	V	91.2	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-117.6	4	172.6	-67.2	0	0	0	0	112	V98 I100 S131 A132 Y133 L464 V515 F518	V98-V129 HydrophobicContact CB-CG2 3.96Å; V98-V129 HydrophobicContact CG1-CG2 3.57Å; V98-V129 WeakPolarHBondContact O-CG2 3.44Å; V98-V129 PolarHBondContact O-N 2.8Å; I100-V129 HydrophobicContact CD1-CG1 3.6Å; I100-V129 HydrophobicContact CG1-CG1 3.71Å; I100-V129 HydrophobicContact CG1-CG2 4.42Å; I100-V129 HydrophobicContact CG2-CG2 4.17Å; V129-S131 PolarHBondContact O-N 3.48Å; V129-A132 PolarHBondContact O-N 2.89Å; V129-Y133 WeakPolarHBondContact O-CB 3.39Å; V129-Y133 PolarHBondContact O-N 2.67Å; V129-L464 HydrophobicContact CG1-CB 4.11Å; V129-L464 HydrophobicContact CG1-CD1 3.74Å; V129-L464 HydrophobicContact CG1-CG 4.48Å; V129-V515 HydrophobicContact CG2-CG1 4.49Å; V129-F518 HydrophobicContact CB-CD2 4.06Å; V129-F518 HydrophobicContact CB-CE2 3.93Å; V129-F518 HydrophobicContact CB-CG 4.43Å; V129-F518 HydrophobicContact CB-CZ 4.17Å; V129-F518 HydrophobicContact CG1-CB 4.16Å; V129-F518 HydrophobicContact CG1-CD1 3.93Å; V129-F518 HydrophobicContact CG1-CD2 3.75Å; V129-F518 HydrophobicContact CG1-CE1 4.23Å; V129-F518 HydrophobicContact CG1-CE2 4.09Å; V129-F518 HydrophobicContact CG1-CG 3.68Å; V129-F518 HydrophobicContact CG1-CZ 4.32Å; V129-F518 HydrophobicContact CG2-CD2 4.47Å; V129-F518 HydrophobicContact CG2-CE2 4.45Å
130	S	88.1	Confident	87.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-47.8	-175.4	-80.1	0	0	0	0	113.1	V98 Y133 I134	V98-S130 PolarHBondContact N-OG 3.04Å; S130-Y133 PolarHBondContact O-N 3.3Å; S130-I134 VanDerWaalsContact O-CB 3.26Å; S130-I134 WeakPolarHBondContact O-CB 2.99Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.32Å; S130-I134 PolarHBondContact O-N 2.02Å
131	S	86.8	Confident	87.6	Confident	20 Å²	20	43.9 Å²	43.9	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-48.8	-180	54.6	0	0	0	0	111.6	V129 Y133 N135	V129-S131 PolarHBondContact O-N 3.48Å; S131-Y133 VanDerWaalsContact C-N 3.3Å; S131-Y133 PolarHBondContact O-N 2.95Å; S131-N135 WeakPolarHBondContact O-CB 3.45Å; S131-N135 PolarHBondContact O-N 2.62Å
132	A	86.5	Confident	87.5	Confident	13 Å²	13	47.7 Å²	47.7	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-32.8	179.1	0	0	0	0	0	113.3	V129 L464 V466 F518	V129-A132 PolarHBondContact O-N 2.89Å; A132-L464 WeakPolarHBondContact CB-O 3.45Å; A132-V466 HydrophobicContact CB-CG2 3.9Å; A132-V466 WeakPolarHBondContact O-CG2 3.38Å; A132-F518 HydrophobicContact CB-CE1 3.7Å; A132-F518 HydrophobicContact CB-CZ 3.7Å
133	Y	81.1	Confident	87.2	Confident	72 Å²	72	47 Å²	47	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-79	-40.6	179.5	179.5	-114.1	0	0	0	112.7	V129 S130 S131 Q514	V129-Y133 WeakPolarHBondContact O-CB 3.39Å; V129-Y133 PolarHBondContact O-N 2.67Å; S130-Y133 PolarHBondContact O-N 3.3Å; S131-Y133 VanDerWaalsContact C-N 3.3Å; S131-Y133 PolarHBondContact O-N 2.95Å; Y133-Q514 HydrophobicContact CD2-CB 4.34Å; Y133-Q514 HydrophobicContact CE2-CB 3.71Å; Y133-Q514 HydrophobicContact CE2-CG 4.16Å; Y133-Q514 PolarHBondContact OH-OE1 2.81Å
134	I	82.1	Confident	86.9	Confident	46 Å²	46	48.7 Å²	48.7	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-93.1	-36.4	-170.7	-59.3	169.5	0	0	0	112.4	S130 T136 S139 V143	S130-I134 VanDerWaalsContact O-CB 3.26Å; S130-I134 WeakPolarHBondContact O-CB 2.99Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.32Å; S130-I134 PolarHBondContact O-N 2.02Å; I134-T136 PolarHBondContact O-N 3.39Å; I134-S139 WeakPolarHBondContact O-CB 3.48Å; I134-S139 PolarHBondContact O-OG 3.14Å; I134-V143 HydrophobicContact CB-CB 4.36Å; I134-V143 HydrophobicContact CB-CG2 4.05Å; I134-V143 HydrophobicContact CD1-CB 4.37Å; I134-V143 HydrophobicContact CD1-CG1 4.32Å; I134-V143 HydrophobicContact CD1-CG2 3.93Å; I134-V143 HydrophobicContact CG2-CB 4.36Å; I134-V143 HydrophobicContact CG2-CG2 3.57Å
135	N	84.5	Confident	86.5	Confident	51 Å²	51	49.5 Å²	49.5	27%	0.273	27%	0.265	S	S	.	.			trans	-78.7	54.6	-175.1	-60.7	-15.9	0	0	0	112.2	S131 L142 V143	S131-N135 WeakPolarHBondContact O-CB 3.45Å; S131-N135 PolarHBondContact O-N 2.62Å; N135-L142 HydrophobicContact CB-CD2 4.35Å; N135-L142 WeakPolarHBondContact OD1-CA 3.47Å; N135-V143 PolarHBondContact ND2-O 3.25Å; N135-V143 PolarHBondContact OD1-N 3.19Å
136	T	81.9	Confident	86.1	Confident	83 Å²	83	51.6 Å²	51.6	51%	0.509	27%	0.273	S	S	.	.			trans	-72.9	157.8	169.3	66	0	0	0	0	109.7	I134 D138 S139	I134-T136 PolarHBondContact O-N 3.39Å; T136-D138 PolarHBondContact O-N 2.96Å; T136-S139 WeakPolarHBondContact O-CB 3.49Å; T136-S139 PolarHBondContact O-N 3.07Å
137	K	74.8	Confident	85.7	Confident	213 Å²	213	58 Å²	58	93%	0.926	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.3	-175.7	-72.1	-177.7	178.4	178.6	0	113.8
138	D	81.1	Confident	85.4	Confident	151 Å²	151	60.5 Å²	60.5	81%	0.807	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	3.9	-176.4	-54.2	-46.6	0	0	0	113.1	T136 P140	T136-D138 PolarHBondContact O-N 2.96Å; D138-P140 WeakPolarHBondContact O-CD 3.36Å
139	S	81.4	Confident	85.3	Confident	31 Å²	31	60.5 Å²	60.5	22%	0.217	32%	0.319	C	S	.	.			trans	-75.9	120.9	-178.5	-171.6	0	0	0	0	110.7	I134 T136 V141	I134-S139 WeakPolarHBondContact O-CB 3.48Å; I134-S139 PolarHBondContact O-OG 3.14Å; T136-S139 WeakPolarHBondContact O-CB 3.49Å; T136-S139 PolarHBondContact O-N 3.07Å; S139-V141 WeakPolarHBondContact CB-O 3.4Å; S139-V141 PolarHBondContact O-N 2.82Å; S139-V141 PolarHBondContact OG-N 3.34Å; S139-V141 PolarHBondContact OG-O 2.74Å
140	P	84.8	Confident	85.2	Confident	114 Å²	114	63.5 Å²	63.5	74%	0.74	33%	0.334	S	S	*	.	S	Bend	trans	-71.1	-10.5	175.1	30.7	-35.1	0	0	0	112.6	D138	D138-P140 WeakPolarHBondContact O-CD 3.36Å
141	V	85.6	Confident	85.4	Confident	52 Å²	52	67.5 Å²	67.5	32%	0.315	36%	0.36	S	S	.	.	S	Bend	trans	-122.9	128.3	-179.6	-178.6	0	0	0	0	109.1	S139 M184 R185	S139-V141 WeakPolarHBondContact CB-O 3.4Å; S139-V141 PolarHBondContact O-N 2.82Å; S139-V141 PolarHBondContact OG-N 3.34Å; S139-V141 PolarHBondContact OG-O 2.74Å; V141-M184 HydrophobicContact CG1-CB 4.01Å; V141-R185 CarbonylContact C-O 3.48Å; V141-R185 WeakPolarHBondContact CA-O 3.48Å
142	L	88.4	Confident	85.6	Confident	81 Å²	81	68 Å²	68	42%	0.424	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.8	171.4	-62.8	177.6	0	0	0	110	N135 M184 R185	N135-L142 HydrophobicContact CB-CD2 4.35Å; N135-L142 WeakPolarHBondContact OD1-CA 3.47Å; L142-M184 CarbonylContact O-C 3.55Å; L142-M184 WeakPolarHBondContact O-CA 3.21Å; L142-R185 PolarHBondContact N-O 3.25Å; L142-R185 PolarHBondContact O-N 2.94Å
143	V	87.9	Confident	85.9	Confident	3 Å²	3	71 Å²	71	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.5	-179.5	-178.9	0	0	0	0	109.7	I134 N135 I182 R183 M184	I134-V143 HydrophobicContact CB-CB 4.36Å; I134-V143 HydrophobicContact CB-CG2 4.05Å; I134-V143 HydrophobicContact CD1-CB 4.37Å; I134-V143 HydrophobicContact CD1-CG1 4.32Å; I134-V143 HydrophobicContact CD1-CG2 3.93Å; I134-V143 HydrophobicContact CG2-CB 4.36Å; I134-V143 HydrophobicContact CG2-CG2 3.57Å; N135-V143 PolarHBondContact ND2-O 3.25Å; N135-V143 PolarHBondContact OD1-N 3.19Å; V143-I182 HydrophobicContact CG1-CG2 3.52Å; V143-R183 CarbonylContact C-O 3.54Å; V143-R183 WeakPolarHBondContact CA-O 3.29Å; V143-M184 HydrophobicContact CG2-CG 4.18Å
144	D	88.6	Confident	86.5	Confident	35 Å²	35	72.3 Å²	72.3	19%	0.187	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.6	173.7	-46.2	-74	0	0	0	109.4	F146 I182 R183 R185	D144-F146 HydrophobicContact CB-CE2 4.27Å; D144-F146 HydrophobicContact CB-CZ 4.22Å; D144-I182 WeakPolarHBondContact O-CA 3.26Å; D144-R183 HydrophobicContact CB-CB 4.33Å; D144-R183 PolarHBondContact N-O 2.73Å; D144-R183 PolarHBondContact O-N 3.33Å; D144-R183 IonicContact OD1-NH2 3.82Å; D144-R183 IonicContact OD2-CZ 2.65Å; D144-R183 IonicContact OD2-NE 3.14Å; D144-R183 PolarHBondContact OD2-NE 3.33Å; D144-R183 IonicContact OD2-NH2 3.76Å; D144-R183 PolarHBondContact OD2-NH2 3.01Å; D144-R185 IonicContact OD1-CZ 3.4Å; D144-R185 IonicContact OD1-NH2 2.69Å; D144-R185 PolarHBondContact OD1-NH2 2.96Å; D144-R185 IonicContact OD2-CZ 3.4Å; D144-R185 IonicContact OD2-NE 3.6Å; D144-R185 PolarHBondContact OD2-NE 3.43Å; D144-R185 IonicContact OD2-NH2 3.16Å; D144-R185 PolarHBondContact OD2-NH2 3.18Å
145	S	87.1	Confident	87	Confident	17 Å²	17	70.7 Å²	70.7	12%	0.119	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.1	172.1	52.3	0	0	0	0	109.5	P463	S145-P463 WeakPolarHBondContact OG-CB 3.46Å; S145-P463 VanDerWaalsContact OG-CG 3.25Å; S145-P463 WeakPolarHBondContact OG-CG 3.34Å
146	F	87	Confident	87.4	Confident	54 Å²	54	68.2 Å²	68.2	24%	0.237	35%	0.353	C	S	.	.			trans	-100.3	132.3	-178.3	-60.6	-90.9	0	0	0	111	D144 Y152 V181 R183	D144-F146 HydrophobicContact CB-CE2 4.27Å; D144-F146 HydrophobicContact CB-CZ 4.22Å; F146-Y152 HydrophobicContact CB-CE2 4.46Å; F146-Y152 HydrophobicContact CD1-CE2 4.11Å; F146-Y152 HydrophobicContact CD2-CE2 4.28Å; F146-Y152 HydrophobicContact CE1-CE2 4.46Å; F146-Y152 VanDerWaalsContact CE1-OH 3.26Å; F146-Y152 WeakPolarHBondContact CE1-OH 3.39Å; F146-Y152 HydrophobicContact CG-CE2 4.02Å; F146-Y152 VanDerWaalsContact CZ-OH 3.29Å; F146-Y152 WeakPolarHBondContact CZ-OH 3.48Å; F146-V181 HydrophobicContact CB-CB 4.4Å; F146-V181 HydrophobicContact CD2-CB 4.09Å; F146-V181 HydrophobicContact CD2-CG1 3.74Å; F146-V181 HydrophobicContact CE2-CG1 4.22Å; F146-V181 PolarHBondContact N-O 2.72Å; F146-R183 HydrophobicContact CE2-CB 3.58Å; F146-R183 HydrophobicContact CZ-CB 3.95Å
147	E	84.2	Confident	88	Confident	135 Å²	135	70.3 Å²	70.3	63%	0.631	35%	0.352	S	S	*	.	S	Bend	trans	-71.1	-47	174.6	-178	178.8	-177.7	0	0	111.5	P462	E147-P462 WeakPolarHBondContact OE1-CG 3.35Å; E147-P462 WeakPolarHBondContact OE2-CG 3.39Å
148	D	88.1	Confident	88.9	Confident	93 Å²	93	63.7 Å²	63.7	50%	0.497	32%	0.323	S	S	.	.			trans	-96	109.1	174.3	-174.7	14.7	0	0	0	110.6	E150 P151	D148-E150 WeakPolarHBondContact OD1-CB 3.46Å; D148-E150 PolarHBondContact OD1-N 2.86Å; D148-P151 WeakPolarHBondContact OD2-CD 3.49Å
149	S	90.8	Very high	89.5	Confident	5 Å²	5	56.8 Å²	56.8	4%	0.035	29%	0.287	C	S	.	.			trans	-87.1	-17.4	177.8	51.6	0	0	0	0	113.1	P151 Y152 A178	S149-P151 VanDerWaalsContact C-CD 3.41Å; S149-Y152 WeakPolarHBondContact O-CB 3.45Å; S149-Y152 PolarHBondContact O-N 3.4Å; S149-A178 WeakPolarHBondContact CB-O 3.46Å; S149-A178 VanDerWaalsContact O-CB 3.25Å; S149-A178 WeakPolarHBondContact O-CB 3.47Å; S149-A178 PolarHBondContact OG-O 3.23Å
150	E	88.9	Confident	90.1	Very high	64 Å²	64	55.4 Å²	55.4	30%	0.299	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-58.9	-35.9	-173.9	-74.5	-57	127.3	0	0	114.8	D148 Y152 R153 R177	D148-E150 WeakPolarHBondContact OD1-CB 3.46Å; D148-E150 PolarHBondContact OD1-N 2.86Å; E150-Y152 PolarHBondContact O-N 2.85Å; E150-R153 WeakPolarHBondContact O-CB 3.24Å; E150-R153 PolarHBondContact O-N 3.1Å; E150-R153 WeakPolarHBondContact OE2-CD 3.44Å; E150-R153 IonicContact OE2-NH1 2.75Å; E150-R177 WeakPolarHBondContact OE1-CG 3.25Å; E150-R177 IonicContact OE1-NE 3.2Å; E150-R177 PolarHBondContact OE1-NE 3.08Å
151	P	91.3	Very high	90.5	Very high	85 Å²	85	54.1 Å²	54.1	55%	0.552	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-54.9	-29.6	174.5	-28.4	36.4	0	0	0	113.4	D148 S149 R153	D148-P151 WeakPolarHBondContact OD2-CD 3.49Å; S149-P151 VanDerWaalsContact C-CD 3.41Å; P151-R153 VanDerWaalsContact C-N 3.34Å
152	Y	91.9	Very high	90.8	Very high	31 Å²	31	56.9 Å²	56.9	12%	0.122	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-85.1	-5.7	-179	-62.1	-85.9	0	0	0	113.5	F146 S149 E150 K154 L155 A156 V181 Y192 I194	F146-Y152 HydrophobicContact CB-CE2 4.46Å; F146-Y152 HydrophobicContact CD1-CE2 4.11Å; F146-Y152 HydrophobicContact CD2-CE2 4.28Å; F146-Y152 HydrophobicContact CE1-CE2 4.46Å; F146-Y152 VanDerWaalsContact CE1-OH 3.26Å; F146-Y152 WeakPolarHBondContact CE1-OH 3.39Å; F146-Y152 HydrophobicContact CG-CE2 4.02Å; F146-Y152 VanDerWaalsContact CZ-OH 3.29Å; F146-Y152 WeakPolarHBondContact CZ-OH 3.48Å; S149-Y152 WeakPolarHBondContact O-CB 3.45Å; S149-Y152 PolarHBondContact O-N 3.4Å; E150-Y152 PolarHBondContact O-N 2.85Å; Y152-K154 PolarHBondContact O-N 3.16Å; Y152-L155 HydrophobicContact CD1-CD1 3.93Å; Y152-L155 WeakPolarHBondContact O-CB 3.48Å; Y152-L155 PolarHBondContact O-N 3.21Å; Y152-A156 PolarHBondContact O-N 2.95Å; Y152-A156 VanDerWaalsContact O-N 3.08Å; Y152-V181 HydrophobicContact CD1-CG1 3.98Å; Y152-V181 HydrophobicContact CD2-CB 4.1Å; Y152-V181 HydrophobicContact CD2-CG1 3.8Å; Y152-V181 HydrophobicContact CD2-CG2 3.72Å; Y152-V181 HydrophobicContact CE1-CG1 4.16Å; Y152-V181 HydrophobicContact CE2-CB 4.47Å; Y152-V181 HydrophobicContact CE2-CG1 3.95Å; Y152-V181 HydrophobicContact CG-CB 4.37Å; Y152-V181 HydrophobicContact CG-CG1 3.81Å; Y152-V181 HydrophobicContact CG-CG2 3.8Å; Y152-Y192 HydrophobicContact CD1-CD1 4.27Å; Y152-Y192 HydrophobicContact CD1-CE1 4.44Å; Y152-Y192 AromaticContact CE1-CD1 3.73Å; Y152-Y192 HydrophobicContact CE1-CD1 3.73Å; Y152-Y192 AromaticContact CE1-CE1 3.5Å; Y152-Y192 HydrophobicContact CE1-CE1 3.5Å; Y152-Y192 VanDerWaalsContact CE1-CE1 3.5Å; Y152-I194 HydrophobicContact CD1-CD1 4.43Å
153	R	93.4	Very high	90.9	Very high	75 Å²	75	55.1 Å²	55.1	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-29	175.1	-171.9	176.5	173.8	-173.2	2	112.4	E150 P151 R157 V175 E176 A178	E150-R153 WeakPolarHBondContact O-CB 3.24Å; E150-R153 PolarHBondContact O-N 3.1Å; E150-R153 WeakPolarHBondContact OE2-CD 3.44Å; E150-R153 IonicContact OE2-NH1 2.75Å; P151-R153 VanDerWaalsContact C-N 3.34Å; R153-R157 WeakPolarHBondContact O-CG 3.24Å; R153-R157 PolarHBondContact O-N 2.67Å; R153-R157 PolarHBondContact O-NE 3.42Å; R153-V175 HydrophobicContact CG-CG1 3.89Å; R153-V175 PolarHBondContact NH2-O 3.26Å; R153-E176 PolarHBondContact NE-O 3.25Å; R153-E176 PolarHBondContact NH2-O 3.02Å; R153-A178 HydrophobicContact CB-CB 4.37Å
154	K	92.1	Very high	91.2	Very high	99 Å²	99	56.4 Å²	56.4	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-43.5	172.4	-170.3	-170.3	-179.8	-160.2	0	111.6	Y152 R157 K158 E230	Y152-K154 PolarHBondContact O-N 3.16Å; K154-R157 PolarHBondContact O-N 2.93Å; K154-K158 PolarHBondContact O-N 3.13Å; K154-K158 VanDerWaalsContact O-N 3.16Å; K154-E230 IonicContact NZ-OE1 3.66Å; K154-E230 PolarHBondContact NZ-OE1 2.79Å; K154-E230 IonicContact NZ-OE2 2.78Å
155	L	92.6	Very high	91.3	Very high	12 Å²	12	59 Å²	59	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-43.2	178.2	-59	-175.3	0	0	0	111.3	Y152 R157 K158 A159 I194 L220 L229	Y152-L155 HydrophobicContact CD1-CD1 3.93Å; Y152-L155 WeakPolarHBondContact O-CB 3.48Å; Y152-L155 PolarHBondContact O-N 3.21Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.81Å; L155-K158 PolarHBondContact O-N 3.04Å; L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.32Å; L155-I194 HydrophobicContact CB-CD1 3.9Å; L155-I194 HydrophobicContact CD1-CD1 4.15Å; L155-L220 HydrophobicContact CB-CD1 3.92Å; L155-L220 HydrophobicContact CD1-CD1 4.13Å; L155-L229 HydrophobicContact CD1-CB 4.21Å; L155-L229 HydrophobicContact CD1-CD1 4.26Å; L155-L229 HydrophobicContact CD2-CB 4.09Å; L155-L229 WeakPolarHBondContact CD2-O 3.35Å
156	A	94.3	Very high	91.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.4	-42.9	174.5	0	0	0	0	0	112.2	Y152 A159 L160 V175 I194 F196	Y152-A156 PolarHBondContact O-N 2.95Å; Y152-A156 VanDerWaalsContact O-N 3.08Å; A156-A159 PolarHBondContact O-N 3.42Å; A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 3.06Å; A156-V175 HydrophobicContact CB-CG1 4.16Å; A156-V175 HydrophobicContact CB-CG2 4.24Å; A156-I194 HydrophobicContact CB-CG2 4.38Å; A156-F196 HydrophobicContact CB-CB 4.03Å; A156-F196 HydrophobicContact CB-CD1 3.61Å; A156-F196 HydrophobicContact CB-CD2 4.19Å; A156-F196 HydrophobicContact CB-CE1 3.99Å; A156-F196 HydrophobicContact CB-CG 3.7Å; A156-F196 HydrophobicContact CB-CZ 4.41Å
157	R	94.4	Very high	91.5	Very high	127 Å²	127	64.9 Å²	64.9	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-49.4	175.8	-78.6	-177.4	-68.4	170.8	-1.9	111.9	R153 K154 L155 A159 L160 D161 V175	R153-R157 WeakPolarHBondContact O-CG 3.24Å; R153-R157 PolarHBondContact O-N 2.67Å; R153-R157 PolarHBondContact O-NE 3.42Å; K154-R157 PolarHBondContact O-N 2.93Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.81Å; R157-A159 PolarHBondContact O-N 2.93Å; R157-L160 PolarHBondContact O-N 3.16Å; R157-D161 WeakPolarHBondContact O-CB 3.16Å; R157-D161 PolarHBondContact O-N 3.3Å; R157-V175 HydrophobicContact CB-CG2 4.43Å; R157-V175 HydrophobicContact CG-CB 3.91Å; R157-V175 HydrophobicContact CG-CG2 3.8Å
158	K	92.9	Very high	91.7	Very high	74 Å²	74	61.2 Å²	61.2	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-45.3	177.9	-73.2	178.2	168	-170.5	0	112.6	K154 L155 L160 D161 K162 E230	K154-K158 PolarHBondContact O-N 3.13Å; K154-K158 VanDerWaalsContact O-N 3.16Å; L155-K158 PolarHBondContact O-N 3.04Å; K158-L160 VanDerWaalsContact C-N 3.35Å; K158-D161 PolarHBondContact O-N 2.85Å; K158-K162 PolarHBondContact O-N 2.99Å; K158-E230 IonicContact NZ-OE1 3.25Å; K158-E230 PolarHBondContact NZ-OE1 2.87Å; K158-E230 VanDerWaalsContact NZ-OE1 3.07Å; K158-E230 IonicContact NZ-OE2 3.78Å; K158-E230 PolarHBondContact NZ-OE2 3.25Å
159	A	93.9	Very high	91.6	Very high	6 Å²	6	63.9 Å²	63.9	5%	0.05	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-44.9	177.5	0	0	0	0	0	111.4	L155 A156 R157 D161 K162 Y163 V218	L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.32Å; A156-A159 PolarHBondContact O-N 3.42Å; R157-A159 PolarHBondContact O-N 2.93Å; A159-D161 PolarHBondContact O-N 3.28Å; A159-K162 PolarHBondContact O-N 3.47Å; A159-Y163 WeakPolarHBondContact O-CB 3.18Å; A159-Y163 PolarHBondContact O-N 3.32Å; A159-V218 HydrophobicContact CB-CB 4.39Å; A159-V218 HydrophobicContact CB-CG1 4.48Å; A159-V218 HydrophobicContact CB-CG2 3.81Å
160	L	94.5	Very high	91.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-40.1	176.3	-176.9	64.9	0	0	0	111.8	A156 R157 K158 Y163 K164 V175 F196 V198 L237	A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 3.06Å; R157-L160 PolarHBondContact O-N 3.16Å; K158-L160 VanDerWaalsContact C-N 3.35Å; L160-Y163 PolarHBondContact O-N 2.69Å; L160-K164 VanDerWaalsContact O-CG 3.29Å; L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.83Å; L160-V175 HydrophobicContact CB-CG2 4.25Å; L160-V175 HydrophobicContact CD2-CG2 3.74Å; L160-F196 HydrophobicContact CB-CE2 4.21Å; L160-F196 HydrophobicContact CB-CZ 4.18Å; L160-F196 HydrophobicContact CD1-CE2 4.49Å; L160-F196 HydrophobicContact CD2-CE2 4.39Å; L160-V198 HydrophobicContact CD2-CG1 4.15Å; L160-L237 HydrophobicContact CD1-CD2 4.32Å
161	D	92.4	Very high	91.5	Very high	87 Å²	87	64.6 Å²	64.6	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-37.3	179.5	-68.6	-22.7	0	0	0	112.2	R157 K158 A159 K164 A165	R157-D161 WeakPolarHBondContact O-CB 3.16Å; R157-D161 PolarHBondContact O-N 3.3Å; K158-D161 PolarHBondContact O-N 2.85Å; A159-D161 PolarHBondContact O-N 3.28Å; D161-K164 PolarHBondContact O-N 3.45Å; D161-K164 IonicContact OD1-NZ 2.79Å; D161-K164 PolarHBondContact OD1-NZ 2.83Å; D161-A165 PolarHBondContact O-N 2.78Å
162	K	91.4	Very high	91.3	Very high	111 Å²	111	61.6 Å²	61.6	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-47.7	169.2	-175.6	-177.4	177.3	-173.9	0	111.1	K158 A159 K164 A165	K158-K162 PolarHBondContact O-N 2.99Å; A159-K162 PolarHBondContact O-N 3.47Å; K162-K164 VanDerWaalsContact C-N 3.32Å; K162-K164 PolarHBondContact O-N 2.82Å; K162-A165 WeakPolarHBondContact O-CB 3.47Å; K162-A165 PolarHBondContact O-N 2.89Å; K162-A165 VanDerWaalsContact O-N 3.12Å
163	Y	91.9	Very high	91.2	Very high	44 Å²	44	60.7 Å²	60.7	17%	0.173	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-34.9	-179.7	-176.1	-101.9	0	0	0	113.5	A159 L160 A165 E166 N167 F170 L237	A159-Y163 WeakPolarHBondContact O-CB 3.18Å; A159-Y163 PolarHBondContact O-N 3.32Å; L160-Y163 PolarHBondContact O-N 2.69Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.92Å; Y163-E166 PolarHBondContact O-N 2.87Å; Y163-N167 HydrophobicContact CD1-CB 4.27Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.34Å; Y163-N167 HydrophobicContact CE1-CB 4Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.45Å; Y163-N167 VanDerWaalsContact CZ-ND2 3.29Å; Y163-N167 WeakPolarHBondContact O-CB 3.47Å; Y163-N167 PolarHBondContact O-N 2.72Å; Y163-N167 PolarHBondContact O-ND2 2.74Å; Y163-F170 HydrophobicContact CD1-CB 4.33Å; Y163-F170 HydrophobicContact CD1-CD1 4.49Å; Y163-F170 HydrophobicContact CD1-CD2 4.2Å; Y163-F170 HydrophobicContact CD1-CG 4.08Å; Y163-F170 HydrophobicContact CE1-CB 4.41Å; Y163-F170 HydrophobicContact CE1-CD1 4.06Å; Y163-F170 AromaticContact CE1-CD2 3.47Å; Y163-F170 HydrophobicContact CE1-CD2 3.47Å; Y163-F170 VanDerWaalsContact CE1-CD2 3.47Å; Y163-F170 HydrophobicContact CE1-CE1 4.16Å; Y163-F170 AromaticContact CE1-CE2 3.59Å; Y163-F170 HydrophobicContact CE1-CE2 3.59Å; Y163-F170 AromaticContact CE1-CG 3.71Å; Y163-F170 HydrophobicContact CE1-CG 3.71Å; Y163-F170 AromaticContact CE1-CZ 3.93Å; Y163-F170 HydrophobicContact CE1-CZ 3.93Å; Y163-L237 HydrophobicContact CD1-CD2 3.88Å; Y163-L237 HydrophobicContact CD2-CB 4.17Å; Y163-L237 HydrophobicContact CD2-CD2 3.87Å; Y163-L237 HydrophobicContact CD2-CG 4.34Å; Y163-L237 HydrophobicContact CG-CD2 3.45Å; Y163-L237 VanDerWaalsContact CG-CD2 3.45Å; Y163-L237 HydrophobicContact CG-CG 4.38Å
164	K	93.3	Very high	91.2	Very high	29 Å²	29	59.9 Å²	59.9	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-32.7	173.6	-74.6	172.1	-172.5	154.1	0	113.2	L160 D161 K162 E166 N167 F170 F173	L160-K164 VanDerWaalsContact O-CG 3.29Å; L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.83Å; D161-K164 PolarHBondContact O-N 3.45Å; D161-K164 IonicContact OD1-NZ 2.79Å; D161-K164 PolarHBondContact OD1-NZ 2.83Å; K162-K164 VanDerWaalsContact C-N 3.32Å; K162-K164 PolarHBondContact O-N 2.82Å; K164-E166 PolarHBondContact O-N 2.65Å; K164-N167 CarbonylContact O-C 3.43Å; K164-N167 PolarHBondContact O-N 2.69Å; K164-F170 WeakPolarHBondContact CE-O 3.47Å; K164-F170 HydrophobicContact CG-CB 4.08Å; K164-F170 WeakPolarHBondContact CG-O 3.32Å; K164-F173 WeakPolarHBondContact CE-O 3.5Å; K164-F173 PolarHBondContact NZ-O 3.43Å
165	A	90.1	Very high	91.2	Very high	91 Å²	91	55.5 Å²	55.5	75%	0.752	30%	0.301	S	S	*	.	H	α-helix	trans	-65.9	-29.9	177.7	0	0	0	0	0	111.4	D161 K162 Y163	D161-A165 PolarHBondContact O-N 2.78Å; K162-A165 WeakPolarHBondContact O-CB 3.47Å; K162-A165 PolarHBondContact O-N 2.89Å; K162-A165 VanDerWaalsContact O-N 3.12Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.92Å
166	E	88.6	Confident	91.1	Very high	135 Å²	135	57.1 Å²	57.1	63%	0.631	31%	0.308	S	S	*	.	H	α-helix	trans	-91.4	-29.9	177.7	-64.1	169.1	-168.8	0	0	112.2	Y163 K164	Y163-E166 PolarHBondContact O-N 2.87Å; K164-E166 PolarHBondContact O-N 2.65Å
167	N	90.2	Very high	90.9	Very high	59 Å²	59	63.1 Å²	63.1	32%	0.316	33%	0.331	S	S	.	.			trans	-126.3	91.7	-175.5	-60	-73.2	0	0	0	111.5	Y163 K164 D169 F170	Y163-N167 HydrophobicContact CD1-CB 4.27Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.34Å; Y163-N167 HydrophobicContact CE1-CB 4Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.45Å; Y163-N167 VanDerWaalsContact CZ-ND2 3.29Å; Y163-N167 WeakPolarHBondContact O-CB 3.47Å; Y163-N167 PolarHBondContact O-N 2.72Å; Y163-N167 PolarHBondContact O-ND2 2.74Å; K164-N167 CarbonylContact O-C 3.43Å; K164-N167 PolarHBondContact O-N 2.69Å; N167-D169 PolarHBondContact O-N 2.9Å; N167-D169 VanDerWaalsContact O-N 3.12Å; N167-F170 HydrophobicContact CB-CD2 3.93Å; N167-F170 PolarHBondContact O-N 2.87Å
168	G	88	Confident	90.9	Very high	58 Å²	58	57 Å²	57	60%	0.598	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.3	-26.3	-176.7	0	0	0	0	0	115	F170 A171	G168-F170 PolarHBondContact O-N 2.86Å; G168-F170 VanDerWaalsContact O-N 3.15Å; G168-A171 WeakPolarHBondContact O-CB 3.33Å; G168-A171 PolarHBondContact O-N 3.46Å
169	D	86.6	Confident	90.8	Very high	149 Å²	149	54.9 Å²	54.9	80%	0.797	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-61.4	-23.2	177.2	-65.2	-24.6	0	0	0	112.9	N167	N167-D169 PolarHBondContact O-N 2.9Å; N167-D169 VanDerWaalsContact O-N 3.12Å
170	F	89.1	Confident	90.7	Very high	25 Å²	25	55.1 Å²	55.1	11%	0.11	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-90.3	1	179.2	-72	-96.2	0	0	0	113.5	Y163 K164 N167 G168 S172 F173 C239 V241	Y163-F170 HydrophobicContact CD1-CB 4.33Å; Y163-F170 HydrophobicContact CD1-CD1 4.49Å; Y163-F170 HydrophobicContact CD1-CD2 4.2Å; Y163-F170 HydrophobicContact CD1-CG 4.08Å; Y163-F170 HydrophobicContact CE1-CB 4.41Å; Y163-F170 HydrophobicContact CE1-CD1 4.06Å; Y163-F170 AromaticContact CE1-CD2 3.47Å; Y163-F170 HydrophobicContact CE1-CD2 3.47Å; Y163-F170 VanDerWaalsContact CE1-CD2 3.47Å; Y163-F170 HydrophobicContact CE1-CE1 4.16Å; Y163-F170 AromaticContact CE1-CE2 3.59Å; Y163-F170 HydrophobicContact CE1-CE2 3.59Å; Y163-F170 AromaticContact CE1-CG 3.71Å; Y163-F170 HydrophobicContact CE1-CG 3.71Å; Y163-F170 AromaticContact CE1-CZ 3.93Å; Y163-F170 HydrophobicContact CE1-CZ 3.93Å; K164-F170 WeakPolarHBondContact CE-O 3.47Å; K164-F170 HydrophobicContact CG-CB 4.08Å; K164-F170 WeakPolarHBondContact CG-O 3.32Å; N167-F170 HydrophobicContact CB-CD2 3.93Å; N167-F170 PolarHBondContact O-N 2.87Å; G168-F170 PolarHBondContact O-N 2.86Å; G168-F170 VanDerWaalsContact O-N 3.15Å; F170-S172 PolarHBondContact O-N 2.82Å; F170-F173 HydrophobicContact CB-CD2 4.38Å; F170-F173 HydrophobicContact CD1-CD2 4.04Å; F170-F173 HydrophobicContact CD1-CE2 4.39Å; F170-F173 HydrophobicContact CD1-CG 4.27Å; F170-F173 HydrophobicContact CG-CD2 4.47Å; F170-F173 PolarHBondContact O-N 2.69Å; F170-C239 HydrophobicContact CE1-CB 3.59Å; F170-C239 HydrophobicContact CZ-CB 3.95Å; F170-V241 HydrophobicContact CE1-CG2 3.83Å; F170-V241 HydrophobicContact CZ-CG2 4.05Å
171	A	88.8	Confident	90.6	Very high	58 Å²	58	55 Å²	55	48%	0.479	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.2	-173.5	0	0	0	0	0	113.6	G168 R174	G168-A171 WeakPolarHBondContact O-CB 3.33Å; G168-A171 PolarHBondContact O-N 3.46Å; A171-R174 PolarHBondContact O-NH1 2.76Å
172	S	87.7	Confident	90.5	Very high	22 Å²	22	51.2 Å²	51.2	15%	0.154	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.2	178.4	68.9	0	0	0	0	114.5	F170 N200 C201 S202	F170-S172 PolarHBondContact O-N 2.82Å; S172-N200 PolarHBondContact OG-OD1 2.92Å; S172-C201 WeakPolarHBondContact O-CB 3.38Å; S172-C201 PolarHBondContact O-N 2.78Å; S172-S202 WeakPolarHBondContact CB-OG 3.48Å; S172-S202 PolarHBondContact OG-OG 3.01Å
173	F	90.1	Very high	90.5	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	147	-176.6	-73.1	-99.2	0	0	0	111.2	K164 F170 V198 R199 N200 F213 V241	K164-F173 WeakPolarHBondContact CE-O 3.5Å; K164-F173 PolarHBondContact NZ-O 3.43Å; F170-F173 HydrophobicContact CB-CD2 4.38Å; F170-F173 HydrophobicContact CD1-CD2 4.04Å; F170-F173 HydrophobicContact CD1-CE2 4.39Å; F170-F173 HydrophobicContact CD1-CG 4.27Å; F170-F173 HydrophobicContact CG-CD2 4.47Å; F170-F173 PolarHBondContact O-N 2.69Å; F173-V198 HydrophobicContact CD1-CB 4.02Å; F173-V198 HydrophobicContact CD1-CG2 3.66Å; F173-V198 HydrophobicContact CE1-CG2 4.18Å; F173-R199 VanDerWaalsContact CA-O 3.29Å; F173-R199 WeakPolarHBondContact CA-O 3.4Å; F173-N200 HydrophobicContact CD1-CB 4.43Å; F173-N200 HydrophobicContact CE1-CB 4.12Å; F173-N200 HydrophobicContact CZ-CB 4.38Å; F173-F213 HydrophobicContact CE1-CB 4Å; F173-V241 HydrophobicContact CE1-CG1 4.36Å; F173-V241 HydrophobicContact CE1-CG2 4.36Å; F173-V241 HydrophobicContact CZ-CG1 4.01Å; F173-V241 HydrophobicContact CZ-CG2 4.09Å
174	R	91.4	Very high	90.3	Very high	58 Å²	58	47.6 Å²	47.6	22%	0.219	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.1	174.3	-61.6	-67.1	-178.9	-88.1	0.5	109	A171 E176 V198 R199 C201 D415	A171-R174 PolarHBondContact O-NH1 2.76Å; R174-E176 PolarHBondContact O-N 3.22Å; R174-V198 CarbonylContact O-C 3.59Å; R174-V198 VanDerWaalsContact O-CA 3.28Å; R174-V198 WeakPolarHBondContact O-CA 3.04Å; R174-R199 HydrophobicContact CB-CG 4.18Å; R174-R199 PolarHBondContact N-O 2.96Å; R174-R199 PolarHBondContact O-N 3.48Å; R174-C201 WeakPolarHBondContact CG-SG 3.47Å; R174-D415 PolarHBondContact NH2-O 3.33Å
175	V	93	Very high	90.2	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	116.5	174.1	-178	0	0	0	0	109	R153 A156 R157 L160 F196	R153-V175 HydrophobicContact CG-CG1 3.89Å; R153-V175 PolarHBondContact NH2-O 3.26Å; A156-V175 HydrophobicContact CB-CG1 4.16Å; A156-V175 HydrophobicContact CB-CG2 4.24Å; R157-V175 HydrophobicContact CB-CG2 4.43Å; R157-V175 HydrophobicContact CG-CB 3.91Å; R157-V175 HydrophobicContact CG-CG2 3.8Å; L160-V175 HydrophobicContact CB-CG2 4.25Å; L160-V175 HydrophobicContact CD2-CG2 3.74Å; V175-F196 HydrophobicContact CB-CD2 4.39Å; V175-F196 HydrophobicContact CG1-CB 4.22Å; V175-F196 HydrophobicContact CG1-CD2 3.97Å; V175-F196 HydrophobicContact CG1-CG 4.4Å; V175-F196 HydrophobicContact CG2-CD2 3.8Å; V175-F196 HydrophobicContact CG2-CE2 3.79Å
176	E	90	Very high	90	Very high	47 Å²	47	47.5 Å²	47.5	22%	0.22	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-57.2	174.2	-178.1	65.1	180	0	0	109.3	R153 R174 S197 R199 P211	R153-E176 PolarHBondContact NE-O 3.25Å; R153-E176 PolarHBondContact NH2-O 3.02Å; R174-E176 PolarHBondContact O-N 3.22Å; E176-S197 PolarHBondContact N-O 2.79Å; E176-R199 HydrophobicContact CB-CB 4.41Å; E176-R199 HydrophobicContact CB-CG 4.42Å; E176-R199 WeakPolarHBondContact OE2-CD 3.4Å; E176-R199 IonicContact OE2-CZ 3.85Å; E176-R199 IonicContact OE2-NE 3.61Å; E176-R199 IonicContact OE2-NH1 2.58Å; E176-R199 PolarHBondContact OE2-NH1 3.39Å; E176-P211 HydrophobicContact CG-CG 4.39Å; E176-P211 VanDerWaalsContact OE1-CG 3.3Å; E176-P211 WeakPolarHBondContact OE1-CG 3.36Å
177	R	91.5	Very high	89.9	Confident	125 Å²	125	44.6 Å²	44.6	47%	0.472	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.9	-177.1	-157.9	-169.8	175.2	-179.7	-1.5	112	E150 F196 S197	E150-R177 WeakPolarHBondContact OE1-CG 3.25Å; E150-R177 IonicContact OE1-NE 3.2Å; E150-R177 PolarHBondContact OE1-NE 3.08Å; R177-F196 CarbonylContact O-C 3.54Å; R177-F196 WeakPolarHBondContact O-CA 2.83Å; R177-F196 VanDerWaalsContact O-CB 3.24Å; R177-F196 WeakPolarHBondContact O-CB 3.44Å; R177-S197 WeakPolarHBondContact CB-OG 3.46Å; R177-S197 PolarHBondContact N-O 3.48Å; R177-S197 PolarHBondContact N-OG 3.08Å; R177-S197 PolarHBondContact O-N 3.33Å; R177-S197 PolarHBondContact O-OG 2.91Å
178	A	93.1	Very high	89.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.5	160.2	0	0	0	0	0	108.2	S149 R153	S149-A178 WeakPolarHBondContact CB-O 3.46Å; S149-A178 VanDerWaalsContact O-CB 3.25Å; S149-A178 WeakPolarHBondContact O-CB 3.47Å; S149-A178 PolarHBondContact OG-O 3.23Å; R153-A178 HydrophobicContact CB-CB 4.37Å
179	E	91.7	Very high	89.8	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.131	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-40.7	-172.6	-62.1	-66.5	169.3	0	0	112.2	Y46 W79 E195 S197 L215	Y46-E179 HydrophobicContact CE2-CB 4.5Å; W79-E179 HydrophobicContact CH2-CG 3.96Å; W79-E179 WeakPolarHBondContact CH2-OE1 3.42Å; W79-E179 HydrophobicContact CZ3-CB 4.33Å; W79-E179 HydrophobicContact CZ3-CG 3.73Å; E179-E195 PolarHBondContact N-O 2.98Å; E179-S197 VanDerWaalsContact OE1-CB 3.28Å; E179-S197 WeakPolarHBondContact OE1-CB 2.97Å; E179-S197 PolarHBondContact OE1-OG 2.83Å; E179-L215 HydrophobicContact CG-CD1 4.27Å
180	R	91.2	Very high	90	Very high	11 Å²	11	48.1 Å²	48.1	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.9	178.8	-69.9	-179.2	179.9	156.2	-7.2	111.1	Y46 E75 E97 I194 E195	Y46-R180 HydrophobicContact CE2-CG 4.11Å; Y46-R180 VanDerWaalsContact CE2-NE 3.29Å; Y46-R180 VanDerWaalsContact CG-NH2 3.25Å; Y46-R180 VanDerWaalsContact CZ-CZ 3.49Å; E75-R180 VanDerWaalsContact CB-NH2 3.29Å; E75-R180 VanDerWaalsContact CD-NH2 3.31Å; E75-R180 IonicContact OE2-CZ 3.26Å; E75-R180 IonicContact OE2-NE 2.84Å; E75-R180 IonicContact OE2-NH2 2.67Å; E75-R180 PolarHBondContact OE2-NH2 3.07Å; E97-R180 WeakPolarHBondContact OE2-CB 3.49Å; E97-R180 WeakPolarHBondContact OE2-CD 3.49Å; E97-R180 WeakPolarHBondContact OE2-CG 3.36Å; E97-R180 IonicContact OE2-NE 3.3Å; R180-I194 WeakPolarHBondContact O-CA 3.28Å; R180-E195 HydrophobicContact CB-CB 4.24Å; R180-E195 HydrophobicContact CB-CG 4.44Å; R180-E195 WeakPolarHBondContact CD-OE2 3.32Å; R180-E195 PolarHBondContact N-O 2.87Å; R180-E195 IonicContact NH1-OE2 2.7Å; R180-E195 PolarHBondContact NH1-OE2 2.87Å; R180-E195 PolarHBondContact O-N 2.85Å
181	V	91.7	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.3	175.3	-175.4	0	0	0	0	110	F146 Y152 Y192 F193 I194	F146-V181 HydrophobicContact CB-CB 4.4Å; F146-V181 HydrophobicContact CD2-CB 4.09Å; F146-V181 HydrophobicContact CD2-CG1 3.74Å; F146-V181 HydrophobicContact CE2-CG1 4.22Å; F146-V181 PolarHBondContact N-O 2.72Å; Y152-V181 HydrophobicContact CD1-CG1 3.98Å; Y152-V181 HydrophobicContact CD2-CB 4.1Å; Y152-V181 HydrophobicContact CD2-CG1 3.8Å; Y152-V181 HydrophobicContact CD2-CG2 3.72Å; Y152-V181 HydrophobicContact CE1-CG1 4.16Å; Y152-V181 HydrophobicContact CE2-CB 4.47Å; Y152-V181 HydrophobicContact CE2-CG1 3.95Å; Y152-V181 HydrophobicContact CG-CB 4.37Å; Y152-V181 HydrophobicContact CG-CG1 3.81Å; Y152-V181 HydrophobicContact CG-CG2 3.8Å; V181-Y192 HydrophobicContact CG1-CD1 4.41Å; V181-F193 WeakPolarHBondContact CA-O 3.16Å; V181-I194 HydrophobicContact CG1-CG1 4.17Å; V181-I194 HydrophobicContact CG2-CG1 4.32Å; V181-I194 HydrophobicContact CG2-CG2 4.21Å
182	I	90.5	Very high	90.3	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.7	169.8	-63.9	164.5	0	0	0	109.2	E97 V143 D144 M184 Y192 F193	E97-I182 VanDerWaalsContact CA-CD1 3.43Å; E97-I182 HydrophobicContact CB-CD1 3.47Å; E97-I182 VanDerWaalsContact CB-CD1 3.47Å; E97-I182 HydrophobicContact CB-CG1 4.18Å; E97-I182 HydrophobicContact CG-CD1 3.98Å; E97-I182 HydrophobicContact CG-CG1 4.26Å; E97-I182 VanDerWaalsContact N-CD1 3.26Å; V143-I182 HydrophobicContact CG1-CG2 3.52Å; D144-I182 WeakPolarHBondContact O-CA 3.26Å; I182-M184 HydrophobicContact CG2-CE 4.06Å; I182-M184 HydrophobicContact CG2-CG 4.05Å; I182-Y192 CarbonylContact O-C 3.58Å; I182-Y192 WeakPolarHBondContact O-CA 3.5Å; I182-F193 HydrophobicContact CB-CB 4.31Å; I182-F193 PolarHBondContact N-O 2.88Å; I182-F193 PolarHBondContact O-N 3.29Å
183	R	91.3	Very high	90.5	Very high	53 Å²	53	46.7 Å²	46.7	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.3	166.4	179.8	-178.1	68.8	-165.7	-2.1	109.5	V143 D144 F146 R185 T190 S191 Y192	V143-R183 CarbonylContact C-O 3.54Å; V143-R183 WeakPolarHBondContact CA-O 3.29Å; D144-R183 HydrophobicContact CB-CB 4.33Å; D144-R183 PolarHBondContact N-O 2.73Å; D144-R183 PolarHBondContact O-N 3.33Å; D144-R183 IonicContact OD1-NH2 3.82Å; D144-R183 IonicContact OD2-CZ 2.65Å; D144-R183 IonicContact OD2-NE 3.14Å; D144-R183 PolarHBondContact OD2-NE 3.33Å; D144-R183 IonicContact OD2-NH2 3.76Å; D144-R183 PolarHBondContact OD2-NH2 3.01Å; F146-R183 HydrophobicContact CE2-CB 3.58Å; F146-R183 HydrophobicContact CZ-CB 3.95Å; R183-R185 HydrophobicContact CG-CG 4.07Å; R183-R185 VanDerWaalsContact NH2-NH2 3.15Å; R183-T190 HydrophobicContact CG-CG2 3.73Å; R183-S191 CarbonylContact C-O 3.59Å; R183-S191 WeakPolarHBondContact CA-O 3.23Å; R183-Y192 HydrophobicContact CB-CD1 4.04Å; R183-Y192 HydrophobicContact CB-CE1 3.8Å; R183-Y192 VanDerWaalsContact CD-OH 3.31Å; R183-Y192 WeakPolarHBondContact CD-OH 3.29Å; R183-Y192 HydrophobicContact CG-CD1 4.33Å; R183-Y192 HydrophobicContact CG-CE1 3.85Å; R183-Y192 HydrophobicContact CG-CE2 4.26Å
184	M	89	Confident	90.7	Very high	27 Å²	27	46.1 Å²	46.1	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.6	171.2	-58.5	-165.9	-172.8	0	0	109.6	V141 L142 V143 I182 T190 S191 F193	V141-M184 HydrophobicContact CG1-CB 4.01Å; L142-M184 CarbonylContact O-C 3.55Å; L142-M184 WeakPolarHBondContact O-CA 3.21Å; V143-M184 HydrophobicContact CG2-CG 4.18Å; I182-M184 HydrophobicContact CG2-CE 4.06Å; I182-M184 HydrophobicContact CG2-CG 4.05Å; M184-T190 CarbonylContact O-C 3.51Å; M184-T190 WeakPolarHBondContact O-CA 3.4Å; M184-S191 PolarHBondContact N-O 2.85Å; M184-S191 PolarHBondContact O-N 3.3Å; M184-F193 HydrophobicContact CB-CE2 4.09Å; M184-F193 HydrophobicContact CE-CD2 3.87Å; M184-F193 HydrophobicContact CE-CE2 3.65Å; M184-F193 HydrophobicContact CE-CZ 4.17Å; M184-F193 HydrophobicContact CG-CD2 3.96Å; M184-F193 HydrophobicContact CG-CE2 3.56Å; M184-F193 HydrophobicContact SD-CD2 4.15Å; M184-F193 HydrophobicContact SD-CE2 3.41Å; M184-F193 WeakPolarHBondContact SD-CE2 3.06Å; M184-F193 HydrophobicContact SD-CZ 3.95Å
185	R	90.1	Very high	90.8	Very high	91 Å²	91	44.2 Å²	44.2	34%	0.343	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.1	179.8	-67.8	179.4	-74.6	168.9	1.6	109.2	V141 L142 D144 R183 T190	V141-R185 CarbonylContact C-O 3.48Å; V141-R185 WeakPolarHBondContact CA-O 3.48Å; L142-R185 PolarHBondContact N-O 3.25Å; L142-R185 PolarHBondContact O-N 2.94Å; D144-R185 IonicContact OD1-CZ 3.4Å; D144-R185 IonicContact OD1-NH2 2.69Å; D144-R185 PolarHBondContact OD1-NH2 2.96Å; D144-R185 IonicContact OD2-CZ 3.4Å; D144-R185 IonicContact OD2-NE 3.6Å; D144-R185 PolarHBondContact OD2-NE 3.43Å; D144-R185 IonicContact OD2-NH2 3.16Å; D144-R185 PolarHBondContact OD2-NH2 3.18Å; R183-R185 HydrophobicContact CG-CG 4.07Å; R183-R185 VanDerWaalsContact NH2-NH2 3.15Å; R185-T190 HydrophobicContact CG-CG2 3.91Å
186	G	87.4	Confident	90.9	Very high	27 Å²	27	43.9 Å²	43.9	28%	0.278	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	139.7	177.7	0	0	0	0	0	112	E188 R189	G186-E188 PolarHBondContact O-N 2.94Å; G186-R189 PolarHBondContact N-O 3.28Å; G186-R189 VanDerWaalsContact N-O 3.14Å; G186-R189 PolarHBondContact O-N 2.92Å; G186-R189 VanDerWaalsContact O-O 3.08Å
187	G	85.5	Confident	91	Very high	74 Å²	74	41.7 Å²	41.7	76%	0.763	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	-134.9	-171.1	0	0	0	0	0	111.5	R189	G187-R189 VanDerWaalsContact C-N 3.34Å
188	E	86.1	Confident	91	Very high	162 Å²	162	35.7 Å²	35.7	76%	0.757	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	13.7	179.9	-62	176.7	167.9	0	0	113.1	G186 T224	G186-E188 PolarHBondContact O-N 2.94Å; E188-T224 VanDerWaalsContact C-CG2 3.48Å; E188-T224 PolarHBondContact O-N 3.35Å; E188-T224 PolarHBondContact O-OG1 3.41Å
189	R	90.3	Very high	90.8	Very high	156 Å²	156	36.7 Å²	36.7	59%	0.589	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.2	-175.4	-63.7	-172.2	180	102.1	2.9	113.4	G186 G187 T221 Y222	G186-R189 PolarHBondContact N-O 3.28Å; G186-R189 VanDerWaalsContact N-O 3.14Å; G186-R189 PolarHBondContact O-N 2.92Å; G186-R189 VanDerWaalsContact O-O 3.08Å; G187-R189 VanDerWaalsContact C-N 3.34Å; R189-T221 HydrophobicContact CB-CG2 4.3Å; R189-T221 HydrophobicContact CG-CG2 4.45Å; R189-Y222 WeakPolarHBondContact CA-O 3.3Å
190	T	91.5	Very high	90.6	Very high	22 Å²	22	36.8 Å²	36.8	14%	0.135	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	168.8	-61.7	0	0	0	0	109.1	R183 M184 R185 Y192 Y222	R183-T190 HydrophobicContact CG-CG2 3.73Å; M184-T190 CarbonylContact O-C 3.51Å; M184-T190 WeakPolarHBondContact O-CA 3.4Å; R185-T190 HydrophobicContact CG-CG2 3.91Å; T190-Y192 HydrophobicContact CG2-CD2 4.23Å; T190-Y192 HydrophobicContact CG2-CE2 3.72Å; T190-Y222 PolarHBondContact N-O 2.82Å; T190-Y222 PolarHBondContact O-N 2.68Å
191	S	91.2	Very high	90.2	Very high	23 Å²	23	37.6 Å²	37.6	16%	0.161	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.4	177.6	-57.8	0	0	0	0	110.8	R183 M184 L220	R183-S191 CarbonylContact C-O 3.59Å; R183-S191 WeakPolarHBondContact CA-O 3.23Å; M184-S191 PolarHBondContact N-O 2.85Å; M184-S191 PolarHBondContact O-N 3.3Å; S191-L220 CarbonylContact C-O 3.56Å; S191-L220 VanDerWaalsContact CA-O 3.28Å; S191-L220 WeakPolarHBondContact CA-O 3.49Å
192	Y	92.5	Very high	89.5	Confident	18 Å²	18	41.6 Å²	41.6	7%	0.071	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	170.2	-71.9	-96.7	0	0	0	109.5	Y152 V181 I182 R183 T190 V219 L220 Y222 L229	Y152-Y192 HydrophobicContact CD1-CD1 4.27Å; Y152-Y192 HydrophobicContact CD1-CE1 4.44Å; Y152-Y192 AromaticContact CE1-CD1 3.73Å; Y152-Y192 HydrophobicContact CE1-CD1 3.73Å; Y152-Y192 AromaticContact CE1-CE1 3.5Å; Y152-Y192 HydrophobicContact CE1-CE1 3.5Å; Y152-Y192 VanDerWaalsContact CE1-CE1 3.5Å; V181-Y192 HydrophobicContact CG1-CD1 4.41Å; I182-Y192 CarbonylContact O-C 3.58Å; I182-Y192 WeakPolarHBondContact O-CA 3.5Å; R183-Y192 HydrophobicContact CB-CD1 4.04Å; R183-Y192 HydrophobicContact CB-CE1 3.8Å; R183-Y192 VanDerWaalsContact CD-OH 3.31Å; R183-Y192 WeakPolarHBondContact CD-OH 3.29Å; R183-Y192 HydrophobicContact CG-CD1 4.33Å; R183-Y192 HydrophobicContact CG-CE1 3.85Å; R183-Y192 HydrophobicContact CG-CE2 4.26Å; T190-Y192 HydrophobicContact CG2-CD2 4.23Å; T190-Y192 HydrophobicContact CG2-CE2 3.72Å; Y192-V219 WeakPolarHBondContact O-CA 3.36Å; Y192-L220 PolarHBondContact N-O 2.97Å; Y192-L220 PolarHBondContact O-N 3.41Å; Y192-Y222 AromaticContact CD2-CD2 3.85Å; Y192-Y222 HydrophobicContact CD2-CD2 3.85Å; Y192-Y222 AromaticContact CD2-CE2 3.64Å; Y192-Y222 HydrophobicContact CD2-CE2 3.64Å; Y192-Y222 HydrophobicContact CE2-CD2 4.18Å; Y192-Y222 HydrophobicContact CE2-CE2 4.18Å; Y192-L229 HydrophobicContact CD2-CD2 4.22Å; Y192-L229 HydrophobicContact CE2-CD2 3.47Å; Y192-L229 VanDerWaalsContact CE2-CD2 3.47Å
193	F	92.4	Very high	88.2	Confident	34 Å²	34	43.5 Å²	43.5	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114	172.7	-60.2	-97.6	0	0	0	106.9	T95 V181 I182 M184 V218 V219	T95-F193 HydrophobicContact CG2-CE1 3.92Å; T95-F193 HydrophobicContact CG2-CZ 4.29Å; T95-F193 WeakPolarHBondContact O-CD1 3.06Å; V181-F193 WeakPolarHBondContact CA-O 3.16Å; I182-F193 HydrophobicContact CB-CB 4.31Å; I182-F193 PolarHBondContact N-O 2.88Å; I182-F193 PolarHBondContact O-N 3.29Å; M184-F193 HydrophobicContact CB-CE2 4.09Å; M184-F193 HydrophobicContact CE-CD2 3.87Å; M184-F193 HydrophobicContact CE-CE2 3.65Å; M184-F193 HydrophobicContact CE-CZ 4.17Å; M184-F193 HydrophobicContact CG-CD2 3.96Å; M184-F193 HydrophobicContact CG-CE2 3.56Å; M184-F193 HydrophobicContact SD-CD2 4.15Å; M184-F193 HydrophobicContact SD-CE2 3.41Å; M184-F193 WeakPolarHBondContact SD-CE2 3.06Å; M184-F193 HydrophobicContact SD-CZ 3.95Å; F193-V218 WeakPolarHBondContact CA-O 3.42Å; F193-V219 HydrophobicContact CD1-CB 4.44Å; F193-V219 HydrophobicContact CD1-CG1 4.22Å; F193-V219 HydrophobicContact CD1-CG2 3.63Å; F193-V219 HydrophobicContact CE1-CB 4.35Å; F193-V219 HydrophobicContact CE1-CG1 3.78Å; F193-V219 HydrophobicContact CE1-CG2 3.64Å; F193-V219 HydrophobicContact CZ-CG1 4.07Å
194	I	93.4	Very high	86.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.7	-177.5	-54.2	164.9	0	0	0	107.9	Y152 L155 A156 R180 V181 F196 V218 L220	Y152-I194 HydrophobicContact CD1-CD1 4.43Å; L155-I194 HydrophobicContact CB-CD1 3.9Å; L155-I194 HydrophobicContact CD1-CD1 4.15Å; A156-I194 HydrophobicContact CB-CG2 4.38Å; R180-I194 WeakPolarHBondContact O-CA 3.28Å; V181-I194 HydrophobicContact CG1-CG1 4.17Å; V181-I194 HydrophobicContact CG2-CG1 4.32Å; V181-I194 HydrophobicContact CG2-CG2 4.21Å; I194-F196 HydrophobicContact CG2-CD1 4.32Å; I194-V218 HydrophobicContact CB-CG1 3.65Å; I194-V218 HydrophobicContact CD1-CG1 4.31Å; I194-V218 HydrophobicContact CG1-CG1 4.36Å; I194-V218 HydrophobicContact CG2-CG1 4.47Å; I194-V218 PolarHBondContact N-O 3.25Å; I194-V218 PolarHBondContact O-N 3.13Å; I194-L220 HydrophobicContact CD1-CD1 3.88Å
195	E	94.1	Very high	84.8	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.8	168.3	-53.2	-164.6	134.4	0	0	108.3	Y46 E179 R180 L215 C216 R217	Y46-E195 WeakPolarHBondContact CE1-OE2 3.45Å; Y46-E195 WeakPolarHBondContact OH-CB 3.07Å; Y46-E195 PolarHBondContact OH-OE2 3.3Å; E179-E195 PolarHBondContact N-O 2.98Å; R180-E195 HydrophobicContact CB-CB 4.24Å; R180-E195 HydrophobicContact CB-CG 4.44Å; R180-E195 WeakPolarHBondContact CD-OE2 3.32Å; R180-E195 PolarHBondContact N-O 2.87Å; R180-E195 IonicContact NH1-OE2 2.7Å; R180-E195 PolarHBondContact NH1-OE2 2.87Å; R180-E195 PolarHBondContact O-N 2.85Å; E195-L215 HydrophobicContact CB-CD1 4.5Å; E195-C216 CarbonylContact C-O 3.55Å; E195-C216 WeakPolarHBondContact CA-O 3.22Å; E195-R217 HydrophobicContact CG-CG 4.04Å; E195-R217 VanDerWaalsContact OE1-CD 3.26Å; E195-R217 WeakPolarHBondContact OE1-CD 3.29Å; E195-R217 IonicContact OE1-CZ 2.87Å; E195-R217 IonicContact OE1-NE 3.73Å; E195-R217 PolarHBondContact OE1-NE 3.21Å
196	F	94.1	Very high	83	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.2	-177.2	63.5	-91.1	0	0	0	112	A156 L160 V175 R177 I194 V198 C216 V218 L237	A156-F196 HydrophobicContact CB-CB 4.03Å; A156-F196 HydrophobicContact CB-CD1 3.61Å; A156-F196 HydrophobicContact CB-CD2 4.19Å; A156-F196 HydrophobicContact CB-CE1 3.99Å; A156-F196 HydrophobicContact CB-CG 3.7Å; A156-F196 HydrophobicContact CB-CZ 4.41Å; L160-F196 HydrophobicContact CB-CE2 4.21Å; L160-F196 HydrophobicContact CB-CZ 4.18Å; L160-F196 HydrophobicContact CD1-CE2 4.49Å; L160-F196 HydrophobicContact CD2-CE2 4.39Å; V175-F196 HydrophobicContact CB-CD2 4.39Å; V175-F196 HydrophobicContact CG1-CB 4.22Å; V175-F196 HydrophobicContact CG1-CD2 3.97Å; V175-F196 HydrophobicContact CG1-CG 4.4Å; V175-F196 HydrophobicContact CG2-CD2 3.8Å; V175-F196 HydrophobicContact CG2-CE2 3.79Å; R177-F196 CarbonylContact O-C 3.54Å; R177-F196 WeakPolarHBondContact O-CA 2.83Å; R177-F196 VanDerWaalsContact O-CB 3.24Å; R177-F196 WeakPolarHBondContact O-CB 3.44Å; I194-F196 HydrophobicContact CG2-CD1 4.32Å; F196-V198 HydrophobicContact CD2-CG1 3.83Å; F196-V198 HydrophobicContact CE2-CG1 3.69Å; F196-C216 HydrophobicContact CD1-CB 4.12Å; F196-C216 HydrophobicContact CD2-CB 3.9Å; F196-C216 HydrophobicContact CE1-CB 3.69Å; F196-C216 HydrophobicContact CE2-CB 3.43Å; F196-C216 VanDerWaalsContact CE2-CB 3.43Å; F196-C216 HydrophobicContact CG-CB 4.24Å; F196-C216 HydrophobicContact CZ-CB 3.34Å; F196-C216 PolarHBondContact N-O 3.03Å; F196-C216 PolarHBondContact O-N 2.77Å; F196-V218 HydrophobicContact CD1-CG1 4.39Å; F196-V218 HydrophobicContact CE1-CB 4.27Å; F196-V218 HydrophobicContact CE1-CG1 3.99Å; F196-L237 HydrophobicContact CE1-CD1 3.59Å; F196-L237 HydrophobicContact CZ-CD1 3.58Å; F196-L237 HydrophobicContact CZ-CD2 4.48Å
197	S	93	Very high	81.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.5	176.3	54.7	0	0	0	0	110.4	E176 R177 E179 G214	E176-S197 PolarHBondContact N-O 2.79Å; R177-S197 WeakPolarHBondContact CB-OG 3.46Å; R177-S197 PolarHBondContact N-O 3.48Å; R177-S197 PolarHBondContact N-OG 3.08Å; R177-S197 PolarHBondContact O-N 3.33Å; R177-S197 PolarHBondContact O-OG 2.91Å; E179-S197 VanDerWaalsContact OE1-CB 3.28Å; E179-S197 WeakPolarHBondContact OE1-CB 2.97Å; E179-S197 PolarHBondContact OE1-OG 2.83Å; S197-G214 WeakPolarHBondContact CA-O 3.33Å
198	V	91.9	Very high	79.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.3	177.6	-65.5	0	0	0	0	110.9	L160 F173 R174 F196 F213 G214	L160-V198 HydrophobicContact CD2-CG1 4.15Å; F173-V198 HydrophobicContact CD1-CB 4.02Å; F173-V198 HydrophobicContact CD1-CG2 3.66Å; F173-V198 HydrophobicContact CE1-CG2 4.18Å; R174-V198 CarbonylContact O-C 3.59Å; R174-V198 VanDerWaalsContact O-CA 3.28Å; R174-V198 WeakPolarHBondContact O-CA 3.04Å; F196-V198 HydrophobicContact CD2-CG1 3.83Å; F196-V198 HydrophobicContact CE2-CG1 3.69Å; V198-F213 PolarHBondContact O-N 3.04Å; V198-G214 PolarHBondContact N-O 3.3Å; V198-G214 PolarHBondContact O-N 2.83Å
199	R	88.2	Confident	78.5	Confident	20 Å²	20	62.8 Å²	62.8	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	153.3	169.4	61.7	166.1	179.9	-143.7	11.9	110.8	F173 R174 E176 P211 G412	F173-R199 VanDerWaalsContact CA-O 3.29Å; F173-R199 WeakPolarHBondContact CA-O 3.4Å; R174-R199 HydrophobicContact CB-CG 4.18Å; R174-R199 PolarHBondContact N-O 2.96Å; R174-R199 PolarHBondContact O-N 3.48Å; E176-R199 HydrophobicContact CB-CB 4.41Å; E176-R199 HydrophobicContact CB-CG 4.42Å; E176-R199 WeakPolarHBondContact OE2-CD 3.4Å; E176-R199 IonicContact OE2-CZ 3.85Å; E176-R199 IonicContact OE2-NE 3.61Å; E176-R199 IonicContact OE2-NH1 2.58Å; E176-R199 PolarHBondContact OE2-NH1 3.39Å; R199-P211 WeakPolarHBondContact CA-O 3.38Å; R199-P211 HydrophobicContact CB-CB 4.36Å; R199-P211 WeakPolarHBondContact CB-O 3.43Å; R199-G412 PolarHBondContact NH2-O 2.89Å
200	N	86.2	Confident	76.9	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.8	175.4	-171.7	-14.8	0	0	0	110.5	S172 F173 S202 T203 F213	S172-N200 PolarHBondContact OG-OD1 2.92Å; F173-N200 HydrophobicContact CD1-CB 4.43Å; F173-N200 HydrophobicContact CE1-CB 4.12Å; F173-N200 HydrophobicContact CZ-CB 4.38Å; N200-S202 WeakPolarHBondContact OD1-CB 3.34Å; N200-S202 PolarHBondContact OD1-N 2.99Å; N200-T203 PolarHBondContact O-OG1 2.61Å; N200-F213 HydrophobicContact CB-CB 4.09Å; N200-F213 HydrophobicContact CB-CD1 3.89Å; N200-F213 HydrophobicContact CB-CD2 3.81Å; N200-F213 HydrophobicContact CB-CE1 4.23Å; N200-F213 HydrophobicContact CB-CE2 4.19Å; N200-F213 HydrophobicContact CB-CG 3.66Å; N200-F213 HydrophobicContact CB-CZ 4.38Å; N200-F213 VanDerWaalsContact N-CD2 3.29Å
201	C	83.8	Confident	75.9	Confident	28 Å²	28	57 Å²	57	19%	0.189	29%	0.286	C	S	.	.	S	Bend	trans	-92.1	1	179.9	-69.8	0	0	0	0	114.9	S172 R174 T203 C414	S172-C201 WeakPolarHBondContact O-CB 3.38Å; S172-C201 PolarHBondContact O-N 2.78Å; R174-C201 WeakPolarHBondContact CG-SG 3.47Å; C201-T203 VanDerWaalsContact C-N 3.33Å; C201-C414 VanDerWaalsContact CA-SG 3.54Å; C201-C414 HydrophobicContact CB-CB 3.41Å; C201-C414 VanDerWaalsContact CB-CB 3.41Å; C201-C414 WeakPolarHBondContact CB-SG 3.41Å; C201-C414 WeakPolarHBondContact SG-CB 3.33Å; C201-C414 CovalentContact SG-SG 2.03Å; C201-C414 PolarHBondContact SG-SG 2.84Å
202	S	77.2	Confident	75.5	Confident	84 Å²	84	56.5 Å²	56.5	59%	0.587	28%	0.282	S	S	*	.	S	Bend	trans	-74.8	-25.2	175.7	-66.3	0	0	0	0	112.8	S172 N200 Q204	S172-S202 WeakPolarHBondContact CB-OG 3.48Å; S172-S202 PolarHBondContact OG-OG 3.01Å; N200-S202 WeakPolarHBondContact OD1-CB 3.34Å; N200-S202 PolarHBondContact OD1-N 2.99Å; S202-Q204 PolarHBondContact O-N 2.78Å
203	T	62.5	Low	75.2	Confident	47 Å²	47	56.5 Å²	56.5	29%	0.288	28%	0.282	S	S	.	.			trans	-85.5	100.3	-174.6	52.3	0	0	0	0	110.3	N200 C201 H205	N200-T203 PolarHBondContact O-OG1 2.61Å; C201-T203 VanDerWaalsContact C-N 3.33Å; T203-H205 PolarHBondContact O-N 3.17Å; T203-H205 VanDerWaalsContact O-N 3.15Å
204	Q	54.1	Low	75.1	Confident	181 Å²	181	54.9 Å²	54.9	85%	0.846	28%	0.275	S	S	*	.	S	Bend	trans	-62	-16.5	172.7	-71.2	-177.8	-4	0	0	113.3	S202	S202-Q204 PolarHBondContact O-N 2.78Å
205	H	55	Low	75.1	Confident	166 Å²	166	54.8 Å²	54.8	77%	0.769	28%	0.275	S	S	*	.	S	Bend	trans	-104.1	89.7	173	-68.1	77.5	0	0	0	108.7	T203 P207	T203-H205 PolarHBondContact O-N 3.17Å; T203-H205 VanDerWaalsContact O-N 3.15Å; H205-P207 VanDerWaalsContact O-CD 3.23Å; H205-P207 WeakPolarHBondContact O-CD 3.39Å
206	F	52.4	Low	75.1	Confident	113 Å²	113	54 Å²	54	50%	0.496	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-68.4	116.9	171.2	-65.2	-76.8	0	0	0	109	R208	F206-R208 PolarHBondContact O-N 3.07Å
207	P	52.7	Low	75.1	Confident	88 Å²	88	56.8 Å²	56.8	57%	0.571	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-60.6	138.2	163	-11.6	27.7	0	0	0	107.6	H205 H209	H205-P207 VanDerWaalsContact O-CD 3.23Å; H205-P207 WeakPolarHBondContact O-CD 3.39Å; P207-H209 PolarHBondContact O-N 2.79Å
208	R	53.4	Low	75.1	Confident	180 Å²	180	56.9 Å²	56.9	68%	0.679	28%	0.282	S	S	*	.	S	Bend	trans	-49.4	141.7	174.9	-74.4	176.5	173.3	144.9	-4.5	110.1	F206 P449	F206-R208 PolarHBondContact O-N 3.07Å; R208-P449 VanDerWaalsContact NH1-CA 3.33Å
209	H	57.7	Low	75.2	Confident	110 Å²	110	58.6 Å²	58.6	51%	0.509	29%	0.292	S	S	.	.	S	Bend	trans	-19.8	149.9	-174.1	-67.2	-79.9	0	0	0	119.6	P207 Y411	P207-H209 PolarHBondContact O-N 2.79Å; H209-Y411 AromaticContact CE1-CE1 3.56Å; H209-Y411 AromaticContact CE1-CZ 3.62Å; H209-Y411 PolarHBondContact CE1-OH 3.2Å; H209-Y411 AromaticContact NE2-CZ 3.74Å; H209-Y411 PolarHBondContact NE2-OH 2.76Å
210	P	58	Low	75.5	Confident	39 Å²	39	57.9 Å²	57.9	25%	0.253	29%	0.29	S	S	.	.			cis	-89.3	151	-7.1	31	-28	0	0	0	112.1	R43 V212	R43-P210 HydrophobicContact CB-CG 3.68Å; R43-P210 WeakPolarHBondContact O-CG 3.43Å; P210-V212 HydrophobicContact CB-CG2 4.44Å; P210-V212 PolarHBondContact O-N 2.83Å
211	P	70.3	Confident	75.8	Confident	19 Å²	19	57.3 Å²	57.3	12%	0.123	29%	0.288	C	S	.	.			trans	-80.1	25.5	-174.8	36.7	-38.5	0	0	0	113.1	E176 R199 F213	E176-P211 HydrophobicContact CG-CG 4.39Å; E176-P211 VanDerWaalsContact OE1-CG 3.3Å; E176-P211 WeakPolarHBondContact OE1-CG 3.36Å; R199-P211 WeakPolarHBondContact CA-O 3.38Å; R199-P211 HydrophobicContact CB-CB 4.36Å; R199-P211 WeakPolarHBondContact CB-O 3.43Å; P211-F213 WeakPolarHBondContact O-CD2 3.39Å; P211-F213 PolarHBondContact O-N 3.48Å
212	V	83	Confident	76.2	Confident	11 Å²	11	56.2 Å²	56.2	7%	0.067	28%	0.28	C	S	.	.			trans	-84.3	118.3	-174.5	-179.2	0	0	0	0	110	W79 L81 P210 F242	W79-V212 HydrophobicContact CZ2-CG1 4.35Å; L81-V212 HydrophobicContact CD1-CB 4.45Å; P210-V212 HydrophobicContact CB-CG2 4.44Å; P210-V212 PolarHBondContact O-N 2.83Å; V212-F242 HydrophobicContact CG1-CD2 4.28Å; V212-F242 HydrophobicContact CG1-CE2 3.8Å
213	F	86.3	Confident	76.7	Confident	18 Å²	18	54.3 Å²	54.3	8%	0.079	27%	0.266	C	S	.	.			trans	-110.6	-5.6	179.9	-74.3	-97.8	0	0	0	113.2	F173 V198 N200 P211 F242 T244	F173-F213 HydrophobicContact CE1-CB 4Å; V198-F213 PolarHBondContact O-N 3.04Å; N200-F213 HydrophobicContact CB-CB 4.09Å; N200-F213 HydrophobicContact CB-CD1 3.89Å; N200-F213 HydrophobicContact CB-CD2 3.81Å; N200-F213 HydrophobicContact CB-CE1 4.23Å; N200-F213 HydrophobicContact CB-CE2 4.19Å; N200-F213 HydrophobicContact CB-CG 3.66Å; N200-F213 HydrophobicContact CB-CZ 4.38Å; N200-F213 VanDerWaalsContact N-CD2 3.29Å; P211-F213 WeakPolarHBondContact O-CD2 3.39Å; P211-F213 PolarHBondContact O-N 3.48Å; F213-F242 PolarHBondContact O-N 2.89Å; F213-T244 HydrophobicContact CD1-CG2 3.8Å; F213-T244 HydrophobicContact CE1-CG2 3.53Å
214	G	90.3	Very high	77.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	169.8	176.5	0	0	0	0	0	112.9	S197 V198 E240 F242	S197-G214 WeakPolarHBondContact CA-O 3.33Å; V198-G214 PolarHBondContact N-O 3.3Å; V198-G214 PolarHBondContact O-N 2.83Å; G214-E240 CarbonylContact C-O 3.42Å; G214-E240 WeakPolarHBondContact CA-O 3.23Å; G214-F242 VanDerWaalsContact CA-CE2 3.46Å
215	L	92.3	Very high	77.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.2	172.9	-177.1	74.2	0	0	0	108.8	Y46 W79 E179 E195 E240 F242	Y46-L215 HydrophobicContact CE1-CD2 3.94Å; W79-L215 HydrophobicContact CB-CD2 4.19Å; W79-L215 HydrophobicContact CE3-CD1 4.06Å; W79-L215 HydrophobicContact CE3-CD2 4.39Å; W79-L215 HydrophobicContact CZ3-CD1 4.37Å; E179-L215 HydrophobicContact CG-CD1 4.27Å; E195-L215 HydrophobicContact CB-CD1 4.5Å; L215-E240 PolarHBondContact N-O 2.84Å; L215-E240 PolarHBondContact O-N 3.17Å; L215-F242 HydrophobicContact CB-CE1 4.48Å; L215-F242 HydrophobicContact CB-CZ 3.76Å
216	C	94.1	Very high	78.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.8	175.6	-62.1	0	0	0	0	110.7	E195 F196 L237 I238 C239	E195-C216 CarbonylContact C-O 3.55Å; E195-C216 WeakPolarHBondContact CA-O 3.22Å; F196-C216 HydrophobicContact CD1-CB 4.12Å; F196-C216 HydrophobicContact CD2-CB 3.9Å; F196-C216 HydrophobicContact CE1-CB 3.69Å; F196-C216 HydrophobicContact CE2-CB 3.43Å; F196-C216 VanDerWaalsContact CE2-CB 3.43Å; F196-C216 HydrophobicContact CG-CB 4.24Å; F196-C216 HydrophobicContact CZ-CB 3.34Å; F196-C216 PolarHBondContact N-O 3.03Å; F196-C216 PolarHBondContact O-N 2.77Å; C216-L237 HydrophobicContact CB-CD1 4.1Å; C216-I238 CarbonylContact C-O 3.48Å; C216-I238 WeakPolarHBondContact CA-O 3.49Å; C216-C239 HydrophobicContact CB-CB 4.11Å; C216-C239 WeakPolarHBondContact CB-SG 3.46Å; C216-C239 WeakPolarHBondContact SG-CB 3.05Å; C216-C239 CovalentContact SG-SG 2.04Å; C216-C239 PolarHBondContact SG-SG 2.97Å
217	R	94.1	Very high	78.6	Confident	58 Å²	58	49.8 Å²	49.8	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.8	176.3	-57.1	-174	179.1	82.3	-0	108.3	D77 E195 L237 I238	D77-R217 PolarHBondContact O-NH2 3.27Å; E195-R217 HydrophobicContact CG-CG 4.04Å; E195-R217 VanDerWaalsContact OE1-CD 3.26Å; E195-R217 WeakPolarHBondContact OE1-CD 3.29Å; E195-R217 IonicContact OE1-CZ 2.87Å; E195-R217 IonicContact OE1-NE 3.73Å; E195-R217 PolarHBondContact OE1-NE 3.21Å; R217-L237 WeakPolarHBondContact O-CA 3.33Å; R217-I238 PolarHBondContact N-O 2.84Å; R217-I238 PolarHBondContact O-N 2.04Å
218	V	94.2	Very high	79.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.8	175.8	65	0	0	0	0	111.3	A159 F193 I194 F196 L220 T235 D236 L237	A159-V218 HydrophobicContact CB-CB 4.39Å; A159-V218 HydrophobicContact CB-CG1 4.48Å; A159-V218 HydrophobicContact CB-CG2 3.81Å; F193-V218 WeakPolarHBondContact CA-O 3.42Å; I194-V218 HydrophobicContact CB-CG1 3.65Å; I194-V218 HydrophobicContact CD1-CG1 4.31Å; I194-V218 HydrophobicContact CG1-CG1 4.36Å; I194-V218 HydrophobicContact CG2-CG1 4.47Å; I194-V218 PolarHBondContact N-O 3.25Å; I194-V218 PolarHBondContact O-N 3.13Å; F196-V218 HydrophobicContact CD1-CG1 4.39Å; F196-V218 HydrophobicContact CE1-CB 4.27Å; F196-V218 HydrophobicContact CE1-CG1 3.99Å; V218-L220 HydrophobicContact CG1-CG 4.4Å; V218-L220 HydrophobicContact CG2-CD2 3.53Å; V218-L220 HydrophobicContact CG2-CG 3.91Å; V218-T235 HydrophobicContact CG2-CG2 3.97Å; V218-D236 CarbonylContact C-O 3.55Å; V218-D236 VanDerWaalsContact CA-O 3.23Å; V218-D236 WeakPolarHBondContact CA-O 3.5Å; V218-D236 WeakPolarHBondContact CG2-O 3.39Å; V218-L237 HydrophobicContact CB-CD1 3.57Å; V218-L237 HydrophobicContact CG2-CB 4.43Å; V218-L237 HydrophobicContact CG2-CD1 4.12Å
219	V	93.7	Very high	80.7	Confident	36 Å²	36	44 Å²	44	22%	0.218	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.9	165.5	-172.6	0	0	0	0	108.4	Y192 F193 T235 D236	Y192-V219 WeakPolarHBondContact O-CA 3.36Å; F193-V219 HydrophobicContact CD1-CB 4.44Å; F193-V219 HydrophobicContact CD1-CG1 4.22Å; F193-V219 HydrophobicContact CD1-CG2 3.63Å; F193-V219 HydrophobicContact CE1-CB 4.35Å; F193-V219 HydrophobicContact CE1-CG1 3.78Å; F193-V219 HydrophobicContact CE1-CG2 3.64Å; F193-V219 HydrophobicContact CZ-CG1 4.07Å; V219-T235 WeakPolarHBondContact O-CA 3.33Å; V219-D236 PolarHBondContact N-O 2.83Å; V219-D236 PolarHBondContact O-N 2.84Å; V219-D236 VanDerWaalsContact O-N 3.08Å
220	L	93.6	Very high	81.6	Confident	6 Å²	6	42.7 Å²	42.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.6	176.8	-55.4	175.2	0	0	0	109.1	L155 S191 Y192 I194 V218 Y222 P232 T235	L155-L220 HydrophobicContact CB-CD1 3.92Å; L155-L220 HydrophobicContact CD1-CD1 4.13Å; S191-L220 CarbonylContact C-O 3.56Å; S191-L220 VanDerWaalsContact CA-O 3.28Å; S191-L220 WeakPolarHBondContact CA-O 3.49Å; Y192-L220 PolarHBondContact N-O 2.97Å; Y192-L220 PolarHBondContact O-N 3.41Å; I194-L220 HydrophobicContact CD1-CD1 3.88Å; V218-L220 HydrophobicContact CG1-CG 4.4Å; V218-L220 HydrophobicContact CG2-CD2 3.53Å; V218-L220 HydrophobicContact CG2-CG 3.91Å; L220-Y222 HydrophobicContact CB-CE2 3.61Å; L220-P232 HydrophobicContact CB-CB 4.28Å; L220-P232 HydrophobicContact CD2-CB 4.4Å; L220-P232 HydrophobicContact CD2-CG 4.11Å; L220-T235 HydrophobicContact CD2-CG2 3.74Å
221	T	93	Very high	82.9	Confident	18 Å²	18	46 Å²	46	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.8	-180	-50.6	0	0	0	0	110.6	R189 P232 E233 Y234	R189-T221 HydrophobicContact CB-CG2 4.3Å; R189-T221 HydrophobicContact CG-CG2 4.45Å; T221-P232 CarbonylContact O-C 3.57Å; T221-E233 PolarHBondContact O-N 2.69Å; T221-Y234 PolarHBondContact N-O 2.89Å; T221-Y234 PolarHBondContact O-N 3.17Å
222	Y	92.6	Very high	83.8	Confident	5 Å²	5	47 Å²	47	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.6	179.3	-56.1	-94.5	0	0	0	109.8	R189 T190 Y192 L220 A226 L229 P232	R189-Y222 WeakPolarHBondContact CA-O 3.3Å; T190-Y222 PolarHBondContact N-O 2.82Å; T190-Y222 PolarHBondContact O-N 2.68Å; Y192-Y222 AromaticContact CD2-CD2 3.85Å; Y192-Y222 HydrophobicContact CD2-CD2 3.85Å; Y192-Y222 AromaticContact CD2-CE2 3.64Å; Y192-Y222 HydrophobicContact CD2-CE2 3.64Å; Y192-Y222 HydrophobicContact CE2-CD2 4.18Å; Y192-Y222 HydrophobicContact CE2-CE2 4.18Å; L220-Y222 HydrophobicContact CB-CE2 3.61Å; Y222-A226 HydrophobicContact CD1-CB 4.12Å; Y222-A226 HydrophobicContact CG-CB 4.45Å; Y222-L229 HydrophobicContact CD2-CD2 4.29Å; Y222-L229 HydrophobicContact CE1-CD2 4.25Å; Y222-L229 HydrophobicContact CE2-CD2 4Å; Y222-L229 PolarHBondContact OH-O 2.79Å; Y222-P232 HydrophobicContact CD1-CB 4.26Å; Y222-P232 HydrophobicContact CE1-CB 3.77Å; Y222-P232 HydrophobicContact CE2-CB 4.35Å
223	S	87.2	Confident	84.1	Confident	43 Å²	43	52.3 Å²	52.3	30%	0.301	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	153.2	160.1	55.7	0	0	0	0	110.3	E225 A226 E233	S223-E225 PolarHBondContact O-N 2.89Å; S223-E225 VanDerWaalsContact O-N 3.11Å; S223-A226 WeakPolarHBondContact O-CB 3.44Å; S223-A226 PolarHBondContact O-N 2.95Å; S223-A226 VanDerWaalsContact O-N 3.17Å; S223-E233 VanDerWaalsContact CB-OE1 3.31Å; S223-E233 WeakPolarHBondContact CB-OE1 3.42Å
224	T	76.2	Confident	84.2	Confident	81 Å²	81	57.7 Å²	57.7	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	179.2	38	0	0	0	0	114.5	E188	E188-T224 VanDerWaalsContact C-CG2 3.48Å; E188-T224 PolarHBondContact O-N 3.35Å; E188-T224 PolarHBondContact O-OG1 3.41Å
225	E	63	Low	84.3	Confident	167 Å²	167	59.2 Å²	59.2	78%	0.78	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-6.2	-178.4	-59.9	-174.8	172.2	0	0	113.6	S223 S227	S223-E225 PolarHBondContact O-N 2.89Å; S223-E225 VanDerWaalsContact O-N 3.11Å; E225-S227 PolarHBondContact O-N 2.9Å; E225-S227 PolarHBondContact O-OG 2.95Å
226	A	63.8	Low	84.3	Confident	37 Å²	37	62.2 Å²	62.2	31%	0.306	34%	0.338	S	S	.	.			trans	-62.9	101.2	179.2	0	0	0	0	0	110.4	Y222 S223 D228	Y222-A226 HydrophobicContact CD1-CB 4.12Å; Y222-A226 HydrophobicContact CG-CB 4.45Å; S223-A226 WeakPolarHBondContact O-CB 3.44Å; S223-A226 PolarHBondContact O-N 2.95Å; S223-A226 VanDerWaalsContact O-N 3.17Å; A226-D228 VanDerWaalsContact C-N 3.33Å
227	S	61.9	Low	84.3	Confident	128 Å²	128	63 Å²	63	90%	0.895	34%	0.342	S	S	*	.			trans	-77.9	-23.7	-179.4	-63.1	0	0	0	0	111.9	E225	E225-S227 PolarHBondContact O-N 2.9Å; E225-S227 PolarHBondContact O-OG 2.95Å
228	D	67.1	Low	84.2	Confident	90 Å²	90	65.2 Å²	65.2	48%	0.481	36%	0.357	S	S	.	.	S	Bend	trans	-115.1	127.8	174.9	59	-2	0	0	0	110.6	A226 E230	A226-D228 VanDerWaalsContact C-N 3.33Å; D228-E230 HydrophobicContact CB-CB 4.18Å; D228-E230 HydrophobicContact CB-CG 3.85Å; D228-E230 PolarHBondContact O-N 2.85Å
229	L	81.7	Confident	84.1	Confident	57 Å²	57	66.2 Å²	66.2	30%	0.298	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	30.4	173.3	-64.2	172.2	0	0	0	111.4	L155 Y192 Y222	L155-L229 HydrophobicContact CD1-CB 4.21Å; L155-L229 HydrophobicContact CD1-CD1 4.26Å; L155-L229 HydrophobicContact CD2-CB 4.09Å; L155-L229 WeakPolarHBondContact CD2-O 3.35Å; Y192-L229 HydrophobicContact CD2-CD2 4.22Å; Y192-L229 HydrophobicContact CE2-CD2 3.47Å; Y192-L229 VanDerWaalsContact CE2-CD2 3.47Å; Y222-L229 HydrophobicContact CD2-CD2 4.29Å; Y222-L229 HydrophobicContact CE1-CD2 4.25Å; Y222-L229 HydrophobicContact CE2-CD2 4Å; Y222-L229 PolarHBondContact OH-O 2.79Å
230	E	77.6	Confident	83.9	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-34.8	-168.3	-67.8	-76.4	122.4	0	0	111.9	K154 K158 D228	K154-E230 IonicContact NZ-OE1 3.66Å; K154-E230 PolarHBondContact NZ-OE1 2.79Å; K154-E230 IonicContact NZ-OE2 2.78Å; K158-E230 IonicContact NZ-OE1 3.25Å; K158-E230 PolarHBondContact NZ-OE1 2.87Å; K158-E230 VanDerWaalsContact NZ-OE1 3.07Å; K158-E230 IonicContact NZ-OE2 3.78Å; K158-E230 PolarHBondContact NZ-OE2 3.25Å; D228-E230 HydrophobicContact CB-CB 4.18Å; D228-E230 HydrophobicContact CB-CG 3.85Å; D228-E230 PolarHBondContact O-N 2.85Å
231	T	84.5	Confident	83.7	Confident	107 Å²	107	68.7 Å²	68.7	66%	0.656	38%	0.377	S	S	*	.			trans	-132.1	95	-176.8	53.9	0	0	0	0	112.4
232	P	89.4	Confident	83.4	Confident	40 Å²	40	68 Å²	68	26%	0.26	37%	0.373	S	S	.	.			trans	-70.8	146.9	174.3	30.5	-37.1	0	0	0	112.1	L220 T221 Y222 T235	L220-P232 HydrophobicContact CB-CB 4.28Å; L220-P232 HydrophobicContact CD2-CB 4.4Å; L220-P232 HydrophobicContact CD2-CG 4.11Å; T221-P232 CarbonylContact O-C 3.57Å; Y222-P232 HydrophobicContact CD1-CB 4.26Å; Y222-P232 HydrophobicContact CE1-CB 3.77Å; Y222-P232 HydrophobicContact CE2-CB 4.35Å; P232-T235 WeakPolarHBondContact CG-OG1 3.42Å
233	E	89.2	Confident	82.4	Confident	123 Å²	123	71 Å²	71	58%	0.575	39%	0.389	S	S	*	.	S	Bend	trans	-67.9	-39.6	172.3	-65.2	-176.6	171.2	0	0	111.5	T221 S223	T221-E233 PolarHBondContact O-N 2.69Å; S223-E233 VanDerWaalsContact CB-OE1 3.31Å; S223-E233 WeakPolarHBondContact CB-OE1 3.42Å
234	Y	89.8	Confident	81.1	Confident	131 Å²	131	72.2 Å²	72.2	51%	0.514	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.5	179.5	-178.3	-102	0	0	0	109.9	T221 D236	T221-Y234 PolarHBondContact N-O 2.89Å; T221-Y234 PolarHBondContact O-N 3.17Å; Y234-D236 HydrophobicContact CD1-CB 4.45Å; Y234-D236 HydrophobicContact CE1-CB 3.52Å
235	T	91.9	Very high	80.3	Confident	33 Å²	33	74.6 Å²	74.6	20%	0.202	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.2	175.4	-60.3	0	0	0	0	108.1	V218 V219 L220 P232	V218-T235 HydrophobicContact CG2-CG2 3.97Å; V219-T235 WeakPolarHBondContact O-CA 3.33Å; L220-T235 HydrophobicContact CD2-CG2 3.74Å; P232-T235 WeakPolarHBondContact CG-OG1 3.42Å
236	D	91.9	Very high	80	Confident	62 Å²	62	70.2 Å²	70.2	33%	0.332	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.3	172.6	-173.8	13.8	0	0	0	108.6	V218 V219 Y234	V218-D236 CarbonylContact C-O 3.55Å; V218-D236 VanDerWaalsContact CA-O 3.23Å; V218-D236 WeakPolarHBondContact CA-O 3.5Å; V218-D236 WeakPolarHBondContact CG2-O 3.39Å; V219-D236 PolarHBondContact N-O 2.83Å; V219-D236 PolarHBondContact O-N 2.84Å; V219-D236 VanDerWaalsContact O-N 3.08Å; Y234-D236 HydrophobicContact CD1-CB 4.45Å; Y234-D236 HydrophobicContact CE1-CB 3.52Å
237	L	93.4	Very high	79.7	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.084	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	-177.6	-177.3	76.6	0	0	0	109.6	L160 Y163 F196 C216 R217 V218	L160-L237 HydrophobicContact CD1-CD2 4.32Å; Y163-L237 HydrophobicContact CD1-CD2 3.88Å; Y163-L237 HydrophobicContact CD2-CB 4.17Å; Y163-L237 HydrophobicContact CD2-CD2 3.87Å; Y163-L237 HydrophobicContact CD2-CG 4.34Å; Y163-L237 HydrophobicContact CG-CD2 3.45Å; Y163-L237 VanDerWaalsContact CG-CD2 3.45Å; Y163-L237 HydrophobicContact CG-CG 4.38Å; F196-L237 HydrophobicContact CE1-CD1 3.59Å; F196-L237 HydrophobicContact CZ-CD1 3.58Å; F196-L237 HydrophobicContact CZ-CD2 4.48Å; C216-L237 HydrophobicContact CB-CD1 4.1Å; R217-L237 WeakPolarHBondContact O-CA 3.33Å; V218-L237 HydrophobicContact CB-CD1 3.57Å; V218-L237 HydrophobicContact CG2-CB 4.43Å; V218-L237 HydrophobicContact CG2-CD1 4.12Å
238	I	92.3	Very high	79.2	Confident	106 Å²	106	70.8 Å²	70.8	54%	0.544	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.4	173.8	-60	168.5	0	0	0	108.2	C216 R217	C216-I238 CarbonylContact C-O 3.48Å; C216-I238 WeakPolarHBondContact CA-O 3.49Å; R217-I238 PolarHBondContact N-O 2.84Å; R217-I238 PolarHBondContact O-N 2.04Å
239	C	92.4	Very high	78.4	Confident	22 Å²	22	71.7 Å²	71.7	15%	0.149	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.1	178	-69.1	0	0	0	0	111.5	F170 C216	F170-C239 HydrophobicContact CE1-CB 3.59Å; F170-C239 HydrophobicContact CZ-CB 3.95Å; C216-C239 HydrophobicContact CB-CB 4.11Å; C216-C239 WeakPolarHBondContact CB-SG 3.46Å; C216-C239 WeakPolarHBondContact SG-CB 3.05Å; C216-C239 CovalentContact SG-SG 2.04Å; C216-C239 PolarHBondContact SG-SG 2.97Å
240	E	90.6	Very high	77	Confident	26 Å²	26	71.3 Å²	71.3	12%	0.121	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.5	169.7	-176.1	-176.9	149	0	0	108.6	S82 K84 G214 L215 F242	S82-E240 VanDerWaalsContact CB-OE1 3.22Å; S82-E240 WeakPolarHBondContact CB-OE1 3.43Å; S82-E240 PolarHBondContact OG-OE1 2.96Å; K84-E240 WeakPolarHBondContact CE-OE2 3.38Å; K84-E240 IonicContact NZ-OE2 3.27Å; K84-E240 PolarHBondContact NZ-OE2 2.83Å; G214-E240 CarbonylContact C-O 3.42Å; G214-E240 WeakPolarHBondContact CA-O 3.23Å; L215-E240 PolarHBondContact N-O 2.84Å; L215-E240 PolarHBondContact O-N 3.17Å; E240-F242 HydrophobicContact CG-CD1 4.49Å; E240-F242 HydrophobicContact CG-CE1 4.19Å
241	V	88.2	Confident	75.5	Confident	69 Å²	69	70.9 Å²	70.9	42%	0.418	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.7	177.3	-179.7	0	0	0	0	109.2	F170 F173	F170-V241 HydrophobicContact CE1-CG2 3.83Å; F170-V241 HydrophobicContact CZ-CG2 4.05Å; F173-V241 HydrophobicContact CE1-CG1 4.36Å; F173-V241 HydrophobicContact CE1-CG2 4.36Å; F173-V241 HydrophobicContact CZ-CG1 4.01Å; F173-V241 HydrophobicContact CZ-CG2 4.09Å
242	F	86	Confident	73.3	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.018	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-85.8	136.9	-179.8	-50.9	-39.7	0	0	0	110.9	W79 L81 V212 F213 G214 L215 E240 T244 L247	W79-F242 HydrophobicContact CB-CE1 4.1Å; W79-F242 HydrophobicContact CB-CE2 4.31Å; W79-F242 HydrophobicContact CB-CZ 3.5Å; W79-F242 AromaticContact CD1-CE2 3.28Å; W79-F242 AromaticContact CD1-CZ 3.38Å; W79-F242 AromaticContact CG-CE2 3.89Å; W79-F242 HydrophobicContact CG-CE2 3.89Å; W79-F242 AromaticContact CG-CZ 3.57Å; W79-F242 HydrophobicContact CG-CZ 3.57Å; W79-F242 AromaticContact NE1-CE2 3.83Å; L81-F242 HydrophobicContact CB-CD2 3.85Å; L81-F242 HydrophobicContact CB-CE2 4.2Å; L81-F242 HydrophobicContact CB-CG 4.09Å; L81-F242 HydrophobicContact CD1-CD2 4.23Å; V212-F242 HydrophobicContact CG1-CD2 4.28Å; V212-F242 HydrophobicContact CG1-CE2 3.8Å; F213-F242 PolarHBondContact O-N 2.89Å; G214-F242 VanDerWaalsContact CA-CE2 3.46Å; L215-F242 HydrophobicContact CB-CE1 4.48Å; L215-F242 HydrophobicContact CB-CZ 3.76Å; E240-F242 HydrophobicContact CG-CD1 4.49Å; E240-F242 HydrophobicContact CG-CE1 4.19Å; F242-T244 PolarHBondContact O-N 3.38Å; F242-L247 HydrophobicContact CB-CD1 4.24Å
243	N	71.4	Confident	71.1	Confident	68 Å²	68	74.6 Å²	74.6	36%	0.364	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-72.4	123.6	178.5	-173.9	-1.2	0	0	0	111.2	T83 E245 D246 L247	T83-N243 HydrophobicContact CG2-CB 4.24Å; N243-E245 PolarHBondContact O-N 3.38Å; N243-E245 PolarHBondContact OD1-N 2.82Å; N243-E245 VanDerWaalsContact OD1-N 3.08Å; N243-D246 WeakPolarHBondContact CB-OD2 3.44Å; N243-D246 PolarHBondContact O-N 3.2Å; N243-L247 PolarHBondContact O-N 3.38Å
244	T	61.4	Low	68.6	Low	67 Å²	67	74.9 Å²	74.9	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-23.1	179.2	53.2	0	0	0	0	114.5	F213 F242 K248	F213-T244 HydrophobicContact CD1-CG2 3.8Å; F213-T244 HydrophobicContact CE1-CG2 3.53Å; F242-T244 PolarHBondContact O-N 3.38Å; T244-K248 PolarHBondContact O-N 2.82Å
245	E	58.9	Low	66.1	Low	131 Å²	131	73.6 Å²	73.6	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-71.6	-40.8	178.4	-64.4	-174.1	158.9	0	0	111.5	N243 L247 K248 N249	N243-E245 PolarHBondContact O-N 3.38Å; N243-E245 PolarHBondContact OD1-N 2.82Å; N243-E245 VanDerWaalsContact OD1-N 3.08Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 2.98Å; E245-K248 PolarHBondContact O-N 3.05Å; E245-K248 VanDerWaalsContact O-N 3.16Å; E245-N249 PolarHBondContact O-N 2.82Å
246	D	57	Low	63.4	Low	76 Å²	76	81 Å²	81	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-66.8	-34.2	177.6	-64.3	-39.4	0	0	0	111.9	T83 N243 K248 N249 R250	T83-D246 VanDerWaalsContact CG2-OD2 3.25Å; T83-D246 WeakPolarHBondContact CG2-OD2 3.46Å; N243-D246 WeakPolarHBondContact CB-OD2 3.44Å; N243-D246 PolarHBondContact O-N 3.2Å; D246-K248 VanDerWaalsContact C-N 3.33Å; D246-K248 PolarHBondContact O-N 2.95Å; D246-N249 PolarHBondContact O-N 3.22Å; D246-R250 WeakPolarHBondContact O-CB 3.3Å; D246-R250 PolarHBondContact O-N 3.16Å; D246-R250 VanDerWaalsContact O-N 3.08Å
247	L	56.8	Low	60.8	Low	40 Å²	40	81 Å²	81	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-60.7	-38.8	173	-91	140.8	0	0	0	112.6	L81 F242 N243 E245 S251	L81-L247 HydrophobicContact CD1-CD2 3.99Å; L81-L247 HydrophobicContact CD2-CD2 3.87Å; L81-L247 HydrophobicContact CG-CD2 4.43Å; F242-L247 HydrophobicContact CB-CD1 4.24Å; N243-L247 PolarHBondContact O-N 3.38Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 2.98Å; L247-S251 PolarHBondContact O-N 3.14Å
248	K	51.7	Low	57.6	Low	137 Å²	137	83.9 Å²	83.9	60%	0.596	45%	0.449	S	S	*	.	H	α-helix	trans	-69	-46.7	176.9	-73.2	177.6	-178.3	171.6	0	111.4	T244 E245 D246 R250 S251 D252	T244-K248 PolarHBondContact O-N 2.82Å; E245-K248 PolarHBondContact O-N 3.05Å; E245-K248 VanDerWaalsContact O-N 3.16Å; D246-K248 VanDerWaalsContact C-N 3.33Å; D246-K248 PolarHBondContact O-N 2.95Å; K248-R250 PolarHBondContact O-N 3.2Å; K248-S251 WeakPolarHBondContact O-CA 3.4Å; K248-S251 PolarHBondContact O-N 3.29Å; K248-S251 PolarHBondContact O-OG 3.13Å; K248-D252 PolarHBondContact O-N 2.83Å
249	N	50	Low	54.8	Low	109 Å²	109	84.6 Å²	84.6	58%	0.583	45%	0.449	S	S	*	.	H	α-helix	trans	-60	-33	178.5	-69.1	-22.8	0	0	0	112.2	E245 D246 D252 M253	E245-N249 PolarHBondContact O-N 2.82Å; D246-N249 PolarHBondContact O-N 3.22Å; N249-D252 PolarHBondContact O-N 2.72Å; N249-M253 PolarHBondContact O-N 2.94Å
250	R	53.6	Low	51.7	Low	48 Å²	48	92.1 Å²	92.1	18%	0.181	48%	0.482	C	S	.	.	H	α-helix	trans	-77.8	-17.4	176.3	-159.6	175.4	175.3	159.6	-8.4	114.1	N39 K40 R42 R43 V80 D246 K248	N39-R250 PolarHBondContact O-NH2 3.22Å; K40-R250 VanDerWaalsContact CA-NH2 3.31Å; K40-R250 PolarHBondContact O-NE 3.13Å; K40-R250 PolarHBondContact O-NH2 3.07Å; R42-R250 PolarHBondContact O-NH2 3.32Å; R43-R250 PolarHBondContact NH2-O 2.97Å; V80-R250 PolarHBondContact O-NH1 3.15Å; V80-R250 PolarHBondContact O-NH2 2.87Å; D246-R250 WeakPolarHBondContact O-CB 3.3Å; D246-R250 PolarHBondContact O-N 3.16Å; D246-R250 VanDerWaalsContact O-N 3.08Å; K248-R250 PolarHBondContact O-N 3.2Å
251	S	44.8	Very low	49	Very low	74 Å²	74	97.5 Å²	97.5	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-79	-24.1	166.1	61.7	0	0	0	0	112.5	L247 K248	L247-S251 PolarHBondContact O-N 3.14Å; K248-S251 WeakPolarHBondContact O-CA 3.4Å; K248-S251 PolarHBondContact O-N 3.29Å; K248-S251 PolarHBondContact O-OG 3.13Å
252	D	39.7	Very low	46.4	Very low	118 Å²	118	99.3 Å²	99.3	63%	0.631	52%	0.521	S	S	*	.	S	Bend	trans	-89.3	0.9	177.7	-71.2	-37.8	0	0	0	114.3	K248 N249 K254	K248-D252 PolarHBondContact O-N 2.83Å; N249-D252 PolarHBondContact O-N 2.72Å; D252-K254 PolarHBondContact O-N 3.14Å
253	M	41.4	Very low	43.9	Very low	106 Å²	106	107 Å²	107	52%	0.522	56%	0.556	S	S	.	*			trans	-70.4	68.9	171.6	-154.6	177.9	-179.2	0	0	110	L37 K40 N249	L37-M253 HydrophobicContact CD2-CE 4.49Å; K40-M253 HydrophobicContact CD-CE 4.43Å; N249-M253 PolarHBondContact O-N 2.94Å
254	K	36.7	Very low	42	Very low	129 Å²	129	109.1 Å²	109.1	56%	0.561	58%	0.575	S	S	*	*			trans	-55.4	146.5	153.1	-75.9	179.1	178.2	177.3	0	106.6	D252 H256	D252-K254 PolarHBondContact O-N 3.14Å; K254-H256 PolarHBondContact O-N 3.49Å
255	P	37.6	Very low	40.7	Very low	104 Å²	104	111.8 Å²	111.8	68%	0.675	59%	0.587	S	S	*	*			trans	-53.6	117.2	156.9	-10.1	23.5	0	0	0	104.9	R257	P255-R257 PolarHBondContact O-N 3.02Å
256	H	36.6	Very low	39.6	Very low	188 Å²	188	115 Å²	115	87%	0.87	60%	0.599	S	S	*	*			trans	-62.9	80.5	167.1	-77.8	-73.9	0	0	0	106.8	K254	K254-H256 PolarHBondContact O-N 3.49Å
257	R	35.4	Very low	38.8	Very low	62 Å²	62	119.9 Å²	119.9	23%	0.234	62%	0.619	C	S	.	*			trans	-102.4	115.3	157.9	-77.8	-168.3	175	-178.7	2.9	104.7	D116 P255 H259	D116-R257 IonicContact OD1-CZ 2.72Å; D116-R257 IonicContact OD1-NE 2.78Å; D116-R257 PolarHBondContact OD1-NE 3.02Å; D116-R257 IonicContact OD1-NH2 2.74Å; D116-R257 PolarHBondContact OD1-NH2 3.06Å; D116-R257 IonicContact OD2-NE 3.96Å; D116-R257 IonicContact OD2-NH2 3.65Å; P255-R257 PolarHBondContact O-N 3.02Å; R257-H259 PolarHBondContact O-N 2.77Å
258	G	27.9	Very low	37.6	Very low	78 Å²	78	125.2 Å²	125.2	80%	0.804	65%	0.647	S	S	*	*			trans	-29.8	104	-174	0	0	0	0	0	112.4	E260	G258-E260 PolarHBondContact O-N 3.13Å; G258-E260 VanDerWaalsContact O-N 3.16Å
259	H	32.6	Very low	36.6	Very low	120 Å²	120	125 Å²	125	56%	0.556	66%	0.661	S	S	*	*			trans	-78.9	74.5	149.5	-96.4	-60	0	0	0	105.9	R257 H261	R257-H259 PolarHBondContact O-N 2.77Å; H259-H261 AromaticContact ND1-CE1 3.96Å; H259-H261 AromaticContact ND1-NE2 3.76Å; H259-H261 PolarHBondContact O-N 2.8Å
260	E	27	Very low	35.8	Very low	180 Å²	180	129.1 Å²	129.1	84%	0.841	67%	0.674	S	S	*	*			trans	-71	94.6	138	-75.6	-171	145.7	0	0	104.4	G258 P262	G258-E260 PolarHBondContact O-N 3.13Å; G258-E260 VanDerWaalsContact O-N 3.16Å; E260-P262 VanDerWaalsContact O-CD 3.28Å; E260-P262 WeakPolarHBondContact O-CD 3.11Å
261	H	34.2	Very low	34.8	Very low	140 Å²	140	134.1 Å²	134.1	65%	0.648	70%	0.703	S	S	*	*			trans	-57.4	121	151.6	-82.3	-71.8	0	0	0	105	H259 H263	H259-H261 AromaticContact ND1-CE1 3.96Å; H259-H261 AromaticContact ND1-NE2 3.76Å; H259-H261 PolarHBondContact O-N 2.8Å; H261-H263 PolarHBondContact O-N 2.81Å
262	P	33.3	Very low	34.3	Very low	107 Å²	107	136.6 Å²	136.6	70%	0.695	72%	0.72	S	S	*	*			trans	-53.8	120.6	155.8	-11.6	25.9	0	0	0	103.6	E260 C264	E260-P262 VanDerWaalsContact O-CD 3.28Å; E260-P262 WeakPolarHBondContact O-CD 3.11Å; P262-C264 PolarHBondContact O-N 2.81Å
263	H	34.2	Very low	33.8	Very low	166 Å²	166	134.1 Å²	134.1	77%	0.769	72%	0.723	S	S	*	*			trans	-56.4	88.4	162.5	-127.8	-80.8	0	0	0	104.5	H261 D265	H261-H263 PolarHBondContact O-N 2.81Å; H263-D265 IonicContact ND1-OD1 3.54Å; H263-D265 PolarHBondContact O-N 2.81Å
264	C	31.1	Very low	33.6	Very low	112 Å²	112	134.5 Å²	134.5	76%	0.757	73%	0.733	S	S	*	*			trans	-67.6	91.3	159.6	-87.9	0	0	0	0	103	P262 K266	P262-C264 PolarHBondContact O-N 2.81Å; C264-K266 PolarHBondContact O-N 2.72Å; C264-K266 VanDerWaalsContact O-N 3.07Å
265	D	34	Very low	33.6	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	75%	0.748	S	S	*	*			trans	-45.9	121.6	170.2	-85	-37.4	0	0	0	107.6	H263 H267	H263-D265 IonicContact ND1-OD1 3.54Å; H263-D265 PolarHBondContact O-N 2.81Å; D265-H267 PolarHBondContact O-N 2.98Å
266	K	37	Very low	33.4	Very low	198 Å²	198	140 Å²	140	86%	0.861	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	64	171	-75.4	176	173.9	171.3	0	108.7	C264	C264-K266 PolarHBondContact O-N 2.72Å; C264-K266 VanDerWaalsContact O-N 3.07Å
267	H	38.5	Very low	33.5	Very low	178 Å²	178	138 Å²	138	82%	0.824	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151	-4.5	168.9	-94.4	-64.4	0	0	0	115.2	D265	D265-H267 PolarHBondContact O-N 2.98Å
268	L	33.4	Very low	33.6	Very low	152 Å²	152	142 Å²	142	80%	0.796	76%	0.758	S	S	*	*	S	Bend	trans	-128.1	41.1	-174.9	-121.6	83.2	0	0	0	115.4
269	C	30.2	Very low	34.2	Very low	134 Å²	134	145.7 Å²	145.7	91%	0.905	75%	0.754	S	S	*	*	S	Bend	trans	-140.6	51.8	164	-80.6	0	0	0	0	110.6
270	K	32	Very low	34.4	Very low	195 Å²	195	146 Å²	146	85%	0.848	77%	0.765	S	S	*	*			trans	-155.1	81.1	162.9	-77.1	-164.4	-179	-179.5	0	108.8
271	L	32.9	Very low	35.1	Very low	153 Å²	153	145.7 Å²	145.7	80%	0.801	76%	0.762	S	S	*	*			trans	-129.1	69	159.8	-89.8	154.8	0	0	0	107.7	G273	L271-G273 PolarHBondContact O-N 2.87Å
272	S	34.5	Very low	35.2	Very low	125 Å²	125	148.9 Å²	148.9	87%	0.874	78%	0.775	S	S	*	*			trans	-73.9	104.8	148.5	-64.3	0	0	0	0	107
273	G	28.4	Very low	35.4	Very low	66 Å²	66	149.4 Å²	149.4	68%	0.68	78%	0.776	S	S	*	*			trans	70.9	110	152.6	0	0	0	0	0	117.7	L271	L271-G273 PolarHBondContact O-N 2.87Å
274	P	38.2	Very low	35.6	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	78%	0.783	S	S	*	*			trans	-97.1	121.8	137.2	23.4	-7.8	0	0	0	108.2
275	R	36.4	Very low	35.8	Very low	229 Å²	229	153.7 Å²	153.7	86%	0.864	79%	0.785	S	S	*	*			trans	-63.2	145.1	158.4	-83.6	-178.3	174.5	170.7	-3	108.6
276	D	34.1	Very low	36	Very low	120 Å²	120	156.4 Å²	156.4	64%	0.642	80%	0.797	S	S	*	*			trans	83.6	110.7	150.7	-64.2	-31.4	0	0	0	119.7
277	H	37.4	Very low	35.8	Very low	147 Å²	147	150 Å²	150	68%	0.681	79%	0.788	S	S	*	*			trans	103.7	107.1	131.7	-62.7	-16.4	0	0	0	120
278	H	37.9	Very low	35.3	Very low	144 Å²	144	147.7 Å²	147.7	67%	0.667	79%	0.79	S	S	*	*			trans	80.3	114.7	141	-61	-55.5	0	0	0	121.2
279	H	41	Very low	35.7	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.727	79%	0.79	S	S	*	*			trans	46.2	134.6	132.6	-48.7	-58.3	0	0	0	118.3
280	T	37.6	Very low	36.4	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	78%	0.783	S	S	*	*			cis	-174.3	149.3	28.6	-7.8	0	0	0	0	108.9
281	H	40.1	Very low	36.7	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.796	78%	0.779	S	S	*	*			trans	-23.9	141.2	171.2	-65.5	-92.7	0	0	0	121.3
282	K	37.4	Very low	37.2	Very low	208 Å²	208	140.8 Å²	140.8	90%	0.904	78%	0.782	S	S	*	*				-174.3	141.9	100.4	-101.9	178.5	179.7	178.1	0	113.5
283	T	36.6	Very low	37.4	Very low	117 Å²	117	144.1 Å²	144.1	72%	0.718	78%	0.783	S	S	*	*			trans	-92.1	154	-168.6	35	0	0	0	0	114.8
284	H	37.8	Very low	38	Very low	197 Å²	197	144.8 Å²	144.8	91%	0.912	79%	0.79	S	S	*	*				-161.5	120.3	127.8	-115.2	-76	0	0	0	111.6
285	E	36	Very low	37.9	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	80%	0.795	S	S	*	*			trans	-85.5	158.6	178.5	-68.9	-177.1	130.2	0	0	113.4
286	I	37.7	Very low	38	Very low	181 Å²	181	144.8 Å²	144.8	93%	0.928	79%	0.792	S	S	*	*			trans	-141	109.5	134.4	-59.3	-177.8	0	0	0	107.3
287	G	32.7	Very low	38.1	Very low	64 Å²	64	145.2 Å²	145.2	66%	0.66	79%	0.794	S	S	*	*			trans	-108.4	155.9	-178.6	0	0	0	0	0	114
288	C	28.5	Very low	38.4	Very low	129 Å²	129	143.2 Å²	143.2	87%	0.872	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-86.2	144.3	161.4	-69.2	0	0	0	0	110
289	P	43	Very low	38.3	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84	145.4	-173.6	32.8	-33	0	0	0	112.9
290	P	43.7	Very low	38	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.4	161.9	169.7	34.8	-31.1	0	0	0	112.4
291	P	39.2	Very low	38	Very low	115 Å²	115	147.8 Å²	147.8	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.9	160.4	-177.2	32.6	-33.4	0	0	0	112.7
292	P	42.5	Very low	37.9	Very low	134 Å²	134	145.4 Å²	145.4	87%	0.87	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.7	123.1	-172	32	-30.6	0	0	0	112.5
293	E	39	Very low	37.9	Very low	194 Å²	194	142.7 Å²	142.7	91%	0.907	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-98.5	132	166.1	-77.5	-179.6	162.6	0	0	111.1
294	G	40.5	Very low	38	Very low	80 Å²	80	144.7 Å²	144.7	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.2	123.7	173.9	0	0	0	0	0	111.8
295	K	36.6	Very low	37.8	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	80%	0.804	S	S	*	*			trans	-40.8	138.5	168.9	-63.8	164	173.9	174.7	0	113.8
296	D	39.2	Very low	37.8	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	80%	0.802	S	S	*	*				-163.7	154.7	98.2	-145	-8.7	0	0	0	112.8
297	N	36.3	Very low	37.8	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	79%	0.792	S	S	*	*			trans	-89.4	156.9	-162.6	-54.3	-82.3	0	0	0	112.5
298	S	42	Very low	38	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	80%	0.801	S	S	*	*				163.7	112.3	119.6	-70.4	0	0	0	0	112.1
299	D	37.8	Very low	38.6	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	80%	0.796	S	S	*	*				43.2	116.6	129.9	-57.2	-34	0	0	0	121.4
300	R	33.5	Very low	38	Very low	245 Å²	245	140.2 Å²	140.2	93%	0.925	80%	0.795	S	S	*	*				161.5	134.6	105.5	-163.9	169.2	-150.1	-156.8	3.1	113.1
301	P	36.8	Very low	37.5	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	80%	0.802	S	S	*	*			trans	-108.7	-177.2	-168.4	43.8	-35.4	0	0	0	115.7
302	P	38.9	Very low	37.2	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	80%	0.801	S	S	*	*			trans	-107.7	174.2	-148.5	41.6	-34.7	0	0	0	117.8
303	L	36.5	Very low	37.1	Very low	151 Å²	151	143.6 Å²	143.6	79%	0.791	79%	0.794	S	S	*	*			trans	-127.7	126.9	168	-85.7	120	0	0	0	109.1
304	Q	38.9	Very low	36.9	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	79%	0.788	S	S	*	*				61.2	138.9	81.3	-82.6	-172.8	-15.5	0	0	113.3
305	E	34.9	Very low	36.7	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	79%	0.789	S	S	*	*			cis	178.1	158.1	2.5	-176	154.7	-173.8	0	0	108
306	G	35.4	Very low	36.7	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	79%	0.791	S	S	*	*			trans	108.4	142.5	155.3	0	0	0	0	0	117.8
307	A	37.3	Very low	36.3	Very low	87 Å²	87	135.9 Å²	135.9	72%	0.719	79%	0.789	S	S	*	*			cis	-172.4	142.4	-7	0	0	0	0	0	110.5
308	L	37.9	Very low	36.6	Very low	161 Å²	161	135.9 Å²	135.9	84%	0.843	80%	0.795	S	S	*	*			trans	63.6	162.5	138.2	-64.6	165	0	0	0	123
309	P	39.8	Very low	36.4	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	80%	0.804	S	S	*	*			cis	-140.6	173.8	-37.9	35.4	-17	0	0	0	115.9
310	Q	31.3	Very low	36.4	Very low	166 Å²	166	132.6 Å²	132.6	78%	0.776	80%	0.795	S	S	*	*			trans	-79.7	155.1	176.9	-61	171.4	-15.5	0	0	114.5
311	M	33.8	Very low	36.6	Very low	186 Å²	186	127.2 Å²	127.2	92%	0.916	79%	0.79	S	S	*	*			trans	-143.8	127.2	150.4	-78.5	-92.6	62.8	0	0	110.8
312	L	31.7	Very low	36.6	Very low	140 Å²	140	127.2 Å²	127.2	73%	0.733	78%	0.783	S	S	*	*			trans	-93.1	-166.4	170.8	-88.2	113.6	0	0	0	110.2
313	P	41.9	Very low	36.5	Very low	111 Å²	111	131 Å²	131	72%	0.721	78%	0.781	S	S	*	*				-132.6	179.8	-59.5	37.3	-20.2	0	0	0	112.6
314	G	33.5	Very low	36.5	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	78%	0.783	S	S	*	*			trans	-155.1	126.7	169.7	0	0	0	0	0	113.9
315	H	36	Very low	36.4	Very low	181 Å²	181	130.1 Å²	130.1	84%	0.838	79%	0.786	S	S	*	*			trans	-73.9	153.6	-172.3	-72.6	-90.1	0	0	0	115.8
316	S	37.2	Very low	36.3	Very low	129 Å²	129	133.7 Å²	133.7	90%	0.902	79%	0.792	S	S	*	*				147.8	131.9	125.5	55.7	0	0	0	0	114.1
317	G	30.7	Very low	36.5	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	79%	0.785	S	S	*	*			trans	-130.6	-158.2	162.7	0	0	0	0	0	108.5
318	P	42.5	Very low	36.6	Very low	127 Å²	127	136.3 Å²	136.3	83%	0.825	79%	0.789	S	S	*	*			cis	-128.9	174.7	-33.1	37.1	-20.3	0	0	0	112.4
319	S	38.5	Very low	36.5	Very low	132 Å²	132	136.8 Å²	136.8	92%	0.923	79%	0.786	S	S	*	*			trans	-164.2	140.2	163.5	-74.1	0	0	0	0	106.5
320	G	37.2	Very low	36.2	Very low	64 Å²	64	138.7 Å²	138.7	66%	0.66	79%	0.79	S	S	*	*			cis	151	105.7	9.3	0	0	0	0	0	107.5
321	T	38.2	Very low	36.5	Very low	132 Å²	132	139 Å²	139	81%	0.81	79%	0.791	S	S	*	*			trans	54	123.7	152.2	66.3	0	0	0	0	121.6
322	N	36.6	Very low	36.5	Very low	119 Å²	119	135.1 Å²	135.1	64%	0.636	78%	0.782	S	S	*	*				168	129.3	95.9	-113.5	-22.7	0	0	0	113.7
323	R	36.7	Very low	36.6	Very low	202 Å²	202	134.3 Å²	134.3	76%	0.762	79%	0.787	S	S	*	*			trans	57.9	129.5	136.1	-65.4	168	-167.5	-156.7	-0.7	118.6
324	S	36.8	Very low	36.3	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	79%	0.791	S	S	*	*			cis	-155.8	147.2	44.3	-68.6	0	0	0	0	114
325	H	36.6	Very low	36.5	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.806	79%	0.792	S	S	*	*			trans	-63.5	147.9	-178.8	-58.8	-92.4	0	0	0	116.1
326	R	32.9	Very low	36.4	Very low	240 Å²	240	140.5 Å²	140.5	91%	0.906	79%	0.791	S	S	*	*				-165	138.1	107.8	-160.1	167.7	-176.4	164.7	-0.2	111.6
327	P	39	Very low	36.3	Very low	94 Å²	94	139.6 Å²	139.6	61%	0.61	78%	0.782	S	S	*	*			trans	-107	175.9	-158.6	8.3	16.7	0	0	0	115.2
328	P	39	Very low	36.2	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	79%	0.785	S	S	*	*			trans	-90.5	149.6	-172.1	36.2	-31.9	0	0	0	113.4
329	H	36.2	Very low	35.7	Very low	171 Å²	171	144.4 Å²	144.4	79%	0.792	79%	0.786	S	S	*	*			trans	-104.6	121.7	172.2	-68.5	-68.4	0	0	0	110.7
330	N	34.8	Very low	35.3	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	78%	0.784	S	S	*	*			trans	-117	114.9	171.2	-158	9.6	0	0	0	105.8
331	H	37.7	Very low	35.1	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.796	80%	0.795	S	S	*	*			trans	-133.7	112.6	170.1	-82.3	-58.8	0	0	0	109
332	S	32	Very low	34.7	Very low	105 Å²	105	150 Å²	150	73%	0.734	79%	0.793	S	S	*	*			trans	-93.4	122.4	164.9	178.9	0	0	0	0	107.7
333	C	34.9	Very low	34.8	Very low	124 Å²	124	149.5 Å²	149.5	84%	0.838	80%	0.797	S	S	*	*			trans	-141.2	121.7	158	-71.2	0	0	0	0	108
334	N	36.4	Very low	34.6	Very low	149 Å²	149	149 Å²	149	80%	0.797	80%	0.803	S	S	*	*			trans	-71.5	167	168.7	-79.8	-47.3	0	0	0	111.1
335	E	35.7	Very low	34.4	Very low	172 Å²	172	146.9 Å²	146.9	80%	0.804	80%	0.799	S	S	*	*			trans	102.1	94.4	161.6	-53.8	-165.3	135.1	0	0	118.2
336	H	35	Very low	34.3	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.815	80%	0.802	S	S	*	*			trans	67.5	147.7	139.3	-69.9	99.7	0	0	0	121.4
337	P	34.1	Very low	34.2	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	79%	0.794	S	S	*	*			trans	-114.2	141.8	-133.9	36.6	-25.3	0	0	0	114
338	C	29	Very low	34.3	Very low	117 Å²	117	144.5 Å²	144.5	79%	0.791	80%	0.8	S	S	*	*			trans	-158.5	122.4	163.7	-91.1	0	0	0	0	112.1
339	H	31.4	Very low	33.9	Very low	183 Å²	183	147.5 Å²	147.5	85%	0.847	80%	0.803	S	S	*	*			trans	45.6	91.7	149.3	-61.6	-68.4	0	0	0	119.8
340	G	31.2	Very low	33.7	Very low	86 Å²	86	142.9 Å²	142.9	89%	0.887	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-86.1	116.4	164.3	0	0	0	0	0	112.1
341	Q	32.1	Very low	33.6	Very low	189 Å²	189	144.8 Å²	144.8	88%	0.883	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.9	176.3	-65.2	176.7	-21.8	0	0	112.2
342	H	30.9	Very low	33.3	Very low	170 Å²	170	143.8 Å²	143.8	79%	0.787	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.1	131.7	172.1	-161.7	-36.2	0	0	0	109.8
343	P	38.7	Very low	33.6	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76	130.6	175.1	-7.1	23	0	0	0	110.4
344	H	33.2	Very low	33.6	Very low	191 Å²	191	145.8 Å²	145.8	88%	0.884	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76	121.5	165	-68.6	-70.2	0	0	0	109.4
345	G	32.5	Very low	33.4	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	80%	0.796	S	S	*	*			trans	-128.3	109.1	-179.8	0	0	0	0	0	112.1
346	H	33.5	Very low	33.5	Very low	187 Å²	187	143 Å²	143	87%	0.866	80%	0.798	S	S	*	*			trans	-14.9	126.1	174.1	-56.3	-71.3	0	0	0	120.3
347	H	31.9	Very low	33.2	Very low	160 Å²	160	142.2 Å²	142.2	74%	0.741	79%	0.794	S	S	*	*			trans	-81.6	129.7	167.4	-163.3	79.2	0	0	0	110.5
348	P	39.4	Very low	33.5	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	80%	0.796	S	S	*	*			trans	-83.3	117.9	170.7	30.5	-26.9	0	0	0	110.1	G350	P348-G350 PolarHBondContact O-N 2.86Å
349	H	31.3	Very low	33.7	Very low	186 Å²	186	145.6 Å²	145.6	86%	0.861	80%	0.799	S	S	*	*			trans	-71.9	113.8	169.4	-77.7	-64.1	0	0	0	110.3
350	G	33.1	Very low	33.8	Very low	73 Å²	73	140.7 Å²	140.7	75%	0.753	80%	0.797	S	S	*	*			trans	-129.4	136.7	173.1	0	0	0	0	0	111.1	P348	P348-G350 PolarHBondContact O-N 2.86Å
351	Q	32.8	Very low	34	Very low	196 Å²	196	145.9 Å²	145.9	92%	0.916	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.3	146.1	-156.5	-59.6	-171.8	-14.7	0	0	115.7
352	H	29.6	Very low	34	Very low	151 Å²	151	144.1 Å²	144.1	70%	0.699	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.3	129.1	175.2	-174.2	79.7	0	0	0	111.4
353	P	39.4	Very low	34.4	Very low	114 Å²	114	141.2 Å²	141.2	74%	0.74	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90.5	123.1	167.5	2.2	17	0	0	0	110.7	G355	P353-G355 PolarHBondContact O-N 2.84Å
354	H	34	Very low	34.4	Very low	158 Å²	158	143.5 Å²	143.5	73%	0.731	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.4	176.1	-65.8	-71.8	0	0	0	112
355	G	33.3	Very low	34.2	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	78%	0.778	S	S	*	*			trans	-85.2	114.9	170.7	0	0	0	0	0	111.9	P353	P353-G355 PolarHBondContact O-N 2.84Å
356	H	36.9	Very low	34.6	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.856	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.6	131	171.2	-70.5	-73.4	0	0	0	111.4
357	H	29.8	Very low	34.7	Very low	158 Å²	158	143.9 Å²	143.9	73%	0.731	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.4	125.7	177.6	-163.5	78.8	0	0	0	110.2
358	P	40.8	Very low	34.9	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-97	120.7	166.1	23.9	-10.1	0	0	0	111.1
359	H	32.9	Very low	35	Very low	182 Å²	182	144.9 Å²	144.9	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62	136.3	170.7	-71.9	-75.2	0	0	0	112
360	G	32.6	Very low	35	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	79%	0.786	S	S	*	*			trans	-143.6	132.2	172.5	0	0	0	0	0	111.5
361	Q	35.9	Very low	35.2	Very low	196 Å²	196	145.9 Å²	145.9	92%	0.916	80%	0.796	S	S	*	*			trans	-80.6	152.8	-158.8	-59.7	-170.9	-15.7	0	0	115.5
362	H	31.8	Very low	35.4	Very low	151 Å²	151	145.1 Å²	145.1	70%	0.699	79%	0.792	S	S	*	*			trans	-84.6	143.8	169.7	-175.9	59	0	0	0	111.1	H364	H362-H364 PolarHBondContact NE2-N 2.83Å
363	P	39.2	Very low	35.9	Very low	109 Å²	109	141.7 Å²	141.7	71%	0.708	78%	0.783	S	S	*	*			trans	-141.5	123.5	135	26.5	-6.8	0	0	0	115
364	H	38.9	Very low	36	Very low	158 Å²	158	145.8 Å²	145.8	73%	0.731	79%	0.792	S	S	*	*			trans	35.8	121.6	133.9	-52.8	-59.6	0	0	0	120.8	H362	H362-H364 PolarHBondContact NE2-N 2.83Å
365	G	28.8	Very low	35.8	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	79%	0.787	S	S	*	*			trans	-92.9	179.9	-176.9	0	0	0	0	0	117.3
366	H	40.2	Very low	36.1	Very low	203 Å²	203	147.3 Å²	147.3	94%	0.94	79%	0.794	S	S	*	*			trans	-140	133.8	159.6	-74.7	-60.4	0	0	0	109.9
367	H	35.6	Very low	36	Very low	188 Å²	188	147.2 Å²	147.2	87%	0.87	79%	0.794	S	S	*	*			trans	-91.5	160.7	-175.6	-162.9	63.9	0	0	0	111.2
368	P	37.3	Very low	36.6	Very low	97 Å²	97	143.5 Å²	143.5	63%	0.63	78%	0.784	S	S	*	*			trans	-102.2	168.6	-156.9	39.4	-31.5	0	0	0	114.8
369	H	41.3	Very low	36.6	Very low	197 Å²	197	147.5 Å²	147.5	91%	0.912	79%	0.792	S	S	*	*			trans	-120	121.8	165.8	-77.6	-55.7	0	0	0	110.9
370	G	31.6	Very low	36.4	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	79%	0.787	S	S	*	*			trans	-97.2	167	175.6	0	0	0	0	0	113.7
371	Q	37.2	Very low	36.6	Very low	207 Å²	207	148.1 Å²	148.1	97%	0.967	79%	0.794	S	S	*	*			trans	-142.5	137.9	153.4	-70.1	-156.6	-7.1	0	0	110
372	H	35.6	Very low	36.5	Very low	180 Å²	180	147.4 Å²	147.4	83%	0.833	79%	0.79	S	S	*	*			trans	-133.4	175.6	175.9	-166.5	46.8	0	0	0	106.8
373	P	41	Very low	36.8	Very low	78 Å²	78	143.5 Å²	143.5	51%	0.506	78%	0.778	S	S	.	*				-121.8	177	-91.5	45.1	-29.9	0	0	0	112.6
374	H	41.5	Very low	36.6	Very low	201 Å²	201	147.6 Å²	147.6	93%	0.931	79%	0.787	S	S	*	*			trans	-143.3	129.6	157	-70.6	-58.3	0	0	0	110.7
375	G	30	Very low	36.3	Very low	62 Å²	62	143.7 Å²	143.7	64%	0.639	79%	0.789	S	S	*	*			trans	-113.4	173.7	-180	0	0	0	0	0	113.4
376	H	39	Very low	36.5	Very low	205 Å²	205	149.2 Å²	149.2	95%	0.949	80%	0.797	S	S	*	*			trans	-153.2	138	157.5	-75.8	-57.4	0	0	0	110.9
377	H	35.5	Very low	35.9	Very low	183 Å²	183	146.9 Å²	146.9	85%	0.847	79%	0.786	S	S	*	*			trans	-101.7	-170.8	-178.9	-159.9	44.5	0	0	0	109.4
378	P	41.6	Very low	36.1	Very low	80 Å²	80	143.1 Å²	143.1	52%	0.519	78%	0.779	S	S	.	*				-122.9	171.8	-112.8	43.2	-24.3	0	0	0	114.1
379	H	40.6	Very low	35.9	Very low	202 Å²	202	147 Å²	147	94%	0.935	79%	0.788	S	S	*	*			trans	-148.7	126.2	159.4	-77.8	-56.3	0	0	0	111
380	G	29.5	Very low	35.4	Very low	72 Å²	72	141 Å²	141	74%	0.742	78%	0.779	S	S	*	*			trans	-92.6	178.5	176.9	0	0	0	0	0	114
381	Q	37.7	Very low	35.3	Very low	202 Å²	202	146.7 Å²	146.7	94%	0.944	79%	0.786	S	S	*	*			trans	-168.7	160.9	146.4	-81.9	-118.1	0.6	0	0	110.5
382	H	32.5	Very low	35	Very low	180 Å²	180	145.4 Å²	145.4	83%	0.833	78%	0.779	S	S	*	*			trans	-89	-167.9	-150.4	-155.5	61	0	0	0	112.1
383	P	39.6	Very low	34.8	Very low	69 Å²	69	141.5 Å²	141.5	45%	0.448	77%	0.77	S	S	.	*				-144	119.4	-116.5	35.6	-9.2	0	0	0	114.8
384	H	34.3	Very low	34.5	Very low	195 Å²	195	146.8 Å²	146.8	90%	0.903	79%	0.788	S	S	*	*			trans	-143	122.7	170.6	-66.3	-61.7	0	0	0	111
385	G	31.4	Very low	33.9	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	78%	0.78	S	S	*	*			trans	-174.8	101.8	178.2	0	0	0	0	0	112.8
386	H	34	Very low	34	Very low	183 Å²	183	145.3 Å²	145.3	85%	0.847	79%	0.79	S	S	*	*			trans	-49.7	147.8	-175.8	-62.7	-80.7	0	0	0	116.7	P388	H386-P388 WeakPolarHBondContact O-CD 3.33Å
387	H	28.4	Very low	33.6	Very low	154 Å²	154	142.7 Å²	142.7	71%	0.713	78%	0.777	S	S	*	*			trans	-76.2	124.2	169.8	-170.3	72.5	0	0	0	110.9	H389	H387-H389 AromaticContact CD2-CE1 3.66Å; H387-H389 AromaticContact CD2-ND1 3.97Å; H387-H389 AromaticContact CD2-NE2 3.89Å; H387-H389 AromaticContact NE2-CE1 3.31Å; H387-H389 PolarHBondContact NE2-CE1 3.27Å; H387-H389 VanDerWaalsContact NE2-CE1 3.31Å; H387-H389 AromaticContact NE2-ND1 3.45Å; H387-H389 PolarHBondContact NE2-ND1 2.88Å
388	P	37.9	Very low	33.8	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	77%	0.773	S	S	*	*			trans	-112.6	126.5	158.8	22.3	-2.6	0	0	0	110.3	H386 G390	H386-P388 WeakPolarHBondContact O-CD 3.33Å; P388-G390 PolarHBondContact O-N 2.89Å
389	H	33	Very low	33.5	Very low	178 Å²	178	143.4 Å²	143.4	82%	0.824	78%	0.784	S	S	*	*			trans	-61.8	125.4	166.6	-65.3	-66.3	0	0	0	110.1	H387	H387-H389 AromaticContact CD2-CE1 3.66Å; H387-H389 AromaticContact CD2-ND1 3.97Å; H387-H389 AromaticContact CD2-NE2 3.89Å; H387-H389 AromaticContact NE2-CE1 3.31Å; H387-H389 PolarHBondContact NE2-CE1 3.27Å; H387-H389 VanDerWaalsContact NE2-CE1 3.31Å; H387-H389 AromaticContact NE2-ND1 3.45Å; H387-H389 PolarHBondContact NE2-ND1 2.88Å
390	G	31.6	Very low	33.1	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	77%	0.769	S	S	*	*			trans	-161.3	121.8	178	0	0	0	0	0	112	P388	P388-G390 PolarHBondContact O-N 2.89Å
391	H	30	Very low	33.4	Very low	192 Å²	192	142.2 Å²	142.2	89%	0.889	78%	0.775	S	S	*	*			trans	-69.2	127.1	-177	-62.4	-81.4	0	0	0	113.8
392	H	31.5	Very low	33.3	Very low	180 Å²	180	139.2 Å²	139.2	83%	0.833	76%	0.761	S	S	*	*			trans	168.4	164.4	146.9	-120.5	42	0	0	0	111.9
393	P	31.5	Very low	33.7	Very low	98 Å²	98	134.8 Å²	134.8	64%	0.636	75%	0.748	S	S	*	*			cis	-119.1	168.6	-23.8	13.4	10.2	0	0	0	111.2	G395	P393-G395 PolarHBondContact O-N 3.32Å
394	H	32.8	Very low	33.7	Very low	190 Å²	190	137.7 Å²	137.7	88%	0.88	76%	0.755	S	S	*	*			trans	-56.2	110.5	161.1	-69.7	-78.9	0	0	0	109	D396	H394-D396 PolarHBondContact O-N 2.79Å
395	G	30.2	Very low	33.6	Very low	75 Å²	75	131.8 Å²	131.8	77%	0.773	75%	0.747	S	S	*	*			trans	-75.7	112.6	176.2	0	0	0	0	0	109.7	P393 H397	P393-G395 PolarHBondContact O-N 3.32Å; G395-H397 PolarHBondContact O-N 2.85Å
396	D	30.9	Very low	33.8	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	75%	0.748	S	S	*	*			trans	-50.8	121.7	174.8	-68.8	-56.7	0	0	0	111.1	H394	H394-D396 PolarHBondContact O-N 2.79Å
397	H	32.3	Very low	33.8	Very low	149 Å²	149	133.5 Å²	133.5	69%	0.69	74%	0.739	S	S	*	*			trans	-63.6	126.6	173.1	-161.3	96.5	0	0	0	108.2	G395 H399	G395-H397 PolarHBondContact O-N 2.85Å; H397-H399 PolarHBondContact O-N 2.83Å
398	P	38.4	Very low	33.9	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	74%	0.743	S	S	*	*			trans	-67.6	107.5	167.2	27.2	-27.6	0	0	0	106.1	G400	P398-G400 PolarHBondContact O-N 2.6Å
399	H	35.8	Very low	33.7	Very low	164 Å²	164	137.2 Å²	137.2	76%	0.759	75%	0.749	S	S	*	*			trans	-59.9	85.2	171	-69.6	-66.7	0	0	0	108.8	H397 H401	H397-H399 PolarHBondContact O-N 2.83Å; H399-H401 PolarHBondContact O-N 2.74Å; H399-H401 VanDerWaalsContact O-N 3.13Å
400	G	31.1	Very low	33.8	Very low	60 Å²	60	135.8 Å²	135.8	62%	0.619	75%	0.748	S	S	*	*			trans	-61.2	113.8	162.3	0	0	0	0	0	106.6	P398 H402	P398-G400 PolarHBondContact O-N 2.6Å; G400-H402 VanDerWaalsContact C-N 3.31Å; G400-H402 PolarHBondContact O-N 3.07Å
401	H	37.5	Very low	34.5	Very low	188 Å²	188	139.7 Å²	139.7	87%	0.87	74%	0.741	S	S	*	*			trans	-54.7	98.8	173.4	-73.6	-65.8	0	0	0	108.5	H399 P403	H399-H401 PolarHBondContact O-N 2.74Å; H399-H401 VanDerWaalsContact O-N 3.13Å; H401-P403 WeakPolarHBondContact O-CD 3.41Å
402	H	33.9	Very low	35.3	Very low	139 Å²	139	131.9 Å²	131.9	64%	0.644	71%	0.712	S	S	*	*			trans	-55.8	126.9	163.5	-110.3	61.2	0	0	0	106.2	G400 H404	G400-H402 VanDerWaalsContact C-N 3.31Å; G400-H402 PolarHBondContact O-N 3.07Å; H402-H404 PolarHBondContact O-N 3.24Å
403	P	40.8	Very low	36.5	Very low	88 Å²	88	127.4 Å²	127.4	57%	0.571	70%	0.7	S	S	*	*			trans	-71.1	79.2	162.7	30.1	-28.2	0	0	0	105.6	H401 G405	H401-P403 WeakPolarHBondContact O-CD 3.41Å; P403-G405 PolarHBondContact O-N 3.2Å; P403-G405 VanDerWaalsContact O-N 3.08Å
404	H	40.8	Very low	38.2	Very low	129 Å²	129	124.8 Å²	124.8	60%	0.597	68%	0.683	S	S	*	*			trans	-57.9	117.7	162.9	-78.4	-54.6	0	0	0	105.7	H402 H406	H402-H404 PolarHBondContact O-N 3.24Å; H404-H406 PolarHBondContact O-CD2 2.85Å; H404-H406 VanDerWaalsContact O-CD2 3.23Å; H404-H406 PolarHBondContact O-N 3.06Å
405	G	32	Very low	39.2	Very low	71 Å²	71	120.4 Å²	120.4	73%	0.732	67%	0.666	S	S	*	*			trans	-54	98.9	164.8	0	0	0	0	0	107	P403 D407	P403-G405 PolarHBondContact O-N 3.2Å; P403-G405 VanDerWaalsContact O-N 3.08Å; G405-D407 PolarHBondContact O-N 3.37Å
406	H	36.3	Very low	39.9	Very low	171 Å²	171	121.8 Å²	121.8	79%	0.792	66%	0.661	S	S	*	*			trans	-71.2	83.5	170.1	-73.9	-74.1	0	0	0	106.9	H404	H404-H406 PolarHBondContact O-CD2 2.85Å; H404-H406 VanDerWaalsContact O-CD2 3.23Å; H404-H406 PolarHBondContact O-N 3.06Å
407	D	33.4	Very low	40.3	Very low	125 Å²	125	118.8 Å²	118.8	67%	0.668	65%	0.651	S	S	*	*			trans	-61.5	126.1	148.1	-80.2	-40.7	0	0	0	107.5	G405	G405-D407 PolarHBondContact O-N 3.37Å
408	F	31	Very low	40.5	Very low	180 Å²	180	117.2 Å²	117.2	79%	0.789	66%	0.656	S	S	*	*	S	Bend	trans	84.2	106.1	172.7	-74.9	-94.5	0	0	0	118.8
409	L	32.4	Very low	40.4	Very low	161 Å²	161	119.3 Å²	119.3	84%	0.843	66%	0.661	S	S	*	*	S	Bend	trans	88.6	80.5	147.7	-54.8	161.8	0	0	0	117.9
410	D	35.3	Very low	40.4	Very low	149 Å²	149	116.7 Å²	116.7	80%	0.797	66%	0.661	S	S	*	*				-170.9	70.9	120.6	-165.9	19.9	0	0	0	110.5	G412	D410-G412 PolarHBondContact O-N 2.83Å
411	Y	47	Very low	40.5	Very low	153 Å²	153	122.7 Å²	122.7	60%	0.6	67%	0.673	S	S	*	*			trans	-72.7	92.2	159.8	-59	-80.2	0	0	0	105.8	H209	H209-Y411 AromaticContact CE1-CE1 3.56Å; H209-Y411 AromaticContact CE1-CZ 3.62Å; H209-Y411 PolarHBondContact CE1-OH 3.2Å; H209-Y411 AromaticContact NE2-CZ 3.74Å; H209-Y411 PolarHBondContact NE2-OH 2.76Å
412	G	47.4	Very low	40.3	Very low	27 Å²	27	122.4 Å²	122.4	28%	0.278	67%	0.672	S	S	.	*			trans	-46.2	136.3	173.7	0	0	0	0	0	108.7	R199 D410 C414	R199-G412 PolarHBondContact NH2-O 2.89Å; D410-G412 PolarHBondContact O-N 2.83Å; G412-C414 PolarHBondContact O-N 2.7Å
413	P	55	Low	40.3	Very low	87 Å²	87	124.1 Å²	124.1	57%	0.565	69%	0.685	S	S	*	*			trans	-64.2	141.3	-164.5	-10.9	23.3	0	0	0	109.2	D415	P413-D415 WeakPolarHBondContact CB-OD1 3.45Å; P413-D415 PolarHBondContact O-N 3.41Å
414	C	67.7	Low	39.8	Very low	42 Å²	42	130.1 Å²	130.1	28%	0.284	70%	0.702	S	S	.	*			trans	-61.8	82.6	150.6	-74	0	0	0	0	106.3	C201 G412	C201-C414 VanDerWaalsContact CA-SG 3.54Å; C201-C414 HydrophobicContact CB-CB 3.41Å; C201-C414 VanDerWaalsContact CB-CB 3.41Å; C201-C414 WeakPolarHBondContact CB-SG 3.41Å; C201-C414 WeakPolarHBondContact SG-CB 3.33Å; C201-C414 CovalentContact SG-SG 2.03Å; C201-C414 PolarHBondContact SG-SG 2.84Å; G412-C414 PolarHBondContact O-N 2.7Å
415	D	53.8	Low	39.4	Very low	98 Å²	98	126.6 Å²	126.6	52%	0.524	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-57.6	132.6	-176.4	-71.9	-41.6	0	0	0	108.4	R174 P413	R174-D415 PolarHBondContact NH2-O 3.33Å; P413-D415 WeakPolarHBondContact CB-OD1 3.45Å; P413-D415 PolarHBondContact O-N 3.41Å
416	P	45	Very low	39.5	Very low	104 Å²	104	131.4 Å²	131.4	68%	0.675	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.4	144.6	176.8	24	-31.5	0	0	0	109.1	S418	P416-S418 PolarHBondContact O-N 3.05Å
417	P	39.7	Very low	39.4	Very low	95 Å²	95	134.4 Å²	134.4	62%	0.617	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.2	131.3	-174.7	20.8	-31	0	0	0	111.1	N419	P417-N419 PolarHBondContact O-N 3.14Å
418	S	36.2	Very low	39.7	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	72%	0.721	S	S	*	*	S	Bend	trans	-67.6	22.6	-177.6	-42.2	0	0	0	0	114.9	P416	P416-S418 PolarHBondContact O-N 3.05Å
419	N	37.4	Very low	40	Very low	159 Å²	159	141 Å²	141	85%	0.85	73%	0.728	S	S	*	*			trans	-113	30.5	-178.9	-122	13.4	0	0	0	113.7	P417	P417-N419 PolarHBondContact O-N 3.14Å
420	S	34.7	Very low	40.1	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	72%	0.719	S	S	*	*			trans	-99.1	14	173.7	47.7	0	0	0	0	113.9
421	Q	33.6	Very low	40.4	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	73%	0.726	S	S	*	*	S	Bend	trans	-92.3	7.9	-176.2	-127.9	169.2	-9.3	0	0	115.5
422	E	32.2	Very low	39.8	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	73%	0.729	S	S	*	*	S	Bend	trans	-125.6	11.4	-175.6	-123.6	-179.1	175.2	0	0	117.3
423	L	33.8	Very low	39.6	Very low	174 Å²	174	138.9 Å²	138.9	91%	0.911	75%	0.752	S	S	*	*			trans	-117.8	64	163.4	-104.3	95.6	0	0	0	111.2
424	K	31.1	Very low	39.1	Very low	214 Å²	214	141 Å²	141	93%	0.93	77%	0.765	S	S	*	*			trans	-103.8	76.3	167	-144.4	-179	-169.8	-178	0	108.4
425	G	31.8	Very low	38.1	Very low	55 Å²	55	147.6 Å²	147.6	57%	0.567	79%	0.791	S	S	*	*	S	Bend	trans	178.1	119.9	176	0	0	0	0	0	112.6
426	Q	34.1	Very low	37.1	Very low	172 Å²	172	146.4 Å²	146.4	80%	0.804	80%	0.802	S	S	*	*			trans	69.5	94.8	165.7	-62.9	165.6	2.5	0	0	115.6
427	Y	34.9	Very low	36.9	Very low	234 Å²	234	150 Å²	150	92%	0.918	81%	0.81	S	S	*	*				-170.2	92.3	121.3	-81.1	-61	0	0	0	108.3
428	H	38.9	Very low	36.7	Very low	192 Å²	192	151 Å²	151	89%	0.889	82%	0.819	S	S	*	*			trans	-79	119.5	162.8	-80.7	-75.1	0	0	0	109.2
429	R	39.1	Very low	36.8	Very low	253 Å²	253	156.5 Å²	156.5	96%	0.955	82%	0.822	S	S	*	*			trans	-176.2	139.9	130.3	-107.4	176.5	-170	-162.7	2.8	110
430	G	33.2	Very low	36.9	Very low	63 Å²	63	158.4 Å²	158.4	65%	0.649	82%	0.823	S	S	*	*			trans	-78.9	156.9	-156.9	0	0	0	0	0	115.7
431	H	41.2	Very low	37	Very low	201 Å²	201	164.9 Å²	164.9	93%	0.931	83%	0.831	S	S	*	*			trans	-143.3	129.8	141.4	-80.2	-67.3	0	0	0	107.1
432	G	35.1	Very low	37.1	Very low	65 Å²	65	158.7 Å²	158.7	67%	0.67	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.5	170.8	-176.9	0	0	0	0	0	113.4
433	P	43.5	Very low	37.5	Very low	116 Å²	116	156.6 Å²	156.6	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.3	138.3	-174	27.7	-31.7	0	0	0	110.6	H435	P433-H435 PolarHBondContact O-N 3.13Å
434	P	44.3	Very low	37.4	Very low	132 Å²	132	151.5 Å²	151.5	86%	0.857	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.7	128.2	172	-12.2	26.5	0	0	0	109.8
435	H	45.7	Very low	37.7	Very low	179 Å²	179	150.9 Å²	150.9	83%	0.829	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-58.2	145.9	174.1	-74.5	-85.2	0	0	0	112.4	P433	P433-H435 PolarHBondContact O-N 3.13Å
436	G	34.5	Very low	37.5	Very low	73 Å²	73	151 Å²	151	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.6	-177.6	0	0	0	0	0	114.1
437	H	39.6	Very low	37.5	Very low	179 Å²	179	150.5 Å²	150.5	83%	0.829	81%	0.809	S	S	*	*			trans	-112.3	97.4	156.4	-74.7	-60.3	0	0	0	109	R439	H437-R439 VanDerWaalsContact C-N 3.33Å; H437-R439 PolarHBondContact O-N 3.25Å
438	S	37.1	Very low	37.2	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	80%	0.803	S	S	*	*			trans	-64.5	93.6	160.9	-178.2	0	0	0	0	108.5
439	R	37.7	Very low	37.1	Very low	231 Å²	231	140.9 Å²	140.9	87%	0.872	77%	0.774	S	S	*	*			trans	-91.9	98.9	160.1	-90.3	-173.6	172.2	-179.9	-1.3	107.5	H437 R441	H437-R439 VanDerWaalsContact C-N 3.33Å; H437-R439 PolarHBondContact O-N 3.25Å; R439-R441 VanDerWaalsContact C-N 3.34Å; R439-R441 PolarHBondContact O-N 2.95Å
440	K	38.3	Very low	36.7	Very low	198 Å²	198	138.4 Å²	138.4	86%	0.861	77%	0.771	S	S	*	*			trans	-50.1	100.6	157.5	-77.4	-177.4	175.1	-179.8	0	107.8	G442	K440-G442 PolarHBondContact O-N 3.35Å
441	R	36.7	Very low	37.1	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	77%	0.77	S	S	*	*			trans	-69	113.6	161.6	-89.2	-177	-178.8	-177.9	1.2	105.8	R439	R439-R441 VanDerWaalsContact C-N 3.34Å; R439-R441 PolarHBondContact O-N 2.95Å
442	G	35.6	Very low	37.6	Very low	56 Å²	56	137.2 Å²	137.2	58%	0.577	75%	0.749	S	S	*	*			trans	-56.6	167.3	167	0	0	0	0	0	110.7	K440 G444	K440-G442 PolarHBondContact O-N 3.35Å; G442-G444 PolarHBondContact O-N 2.89Å
443	P	40.7	Very low	38.8	Very low	139 Å²	139	139.9 Å²	139.9	90%	0.903	74%	0.739	S	S	*	*			trans	-66.6	85.2	-178.8	28.7	-32	0	0	0	108.9	K445	P443-K445 PolarHBondContact O-N 3.42Å
444	G	33.3	Very low	40	Very low	67 Å²	67	139.8 Å²	139.8	69%	0.691	73%	0.728	S	S	*	*			trans	-65.6	120.5	167.7	0	0	0	0	0	106.6	G442 G446	G442-G444 PolarHBondContact O-N 2.89Å; G444-G446 PolarHBondContact O-N 2.77Å
445	K	36.9	Very low	41.7	Very low	200 Å²	200	136 Å²	136	87%	0.87	70%	0.7	S	S	*	*			trans	-32.6	103	172.8	-68.8	174.1	177.1	-178.5	0	109.6	P443 L447	P443-K445 PolarHBondContact O-N 3.42Å; K445-L447 PolarHBondContact O-N 2.95Å; K445-L447 VanDerWaalsContact O-N 3.11Å
446	G	28.3	Very low	43.6	Very low	58 Å²	58	127.7 Å²	127.7	60%	0.598	66%	0.663	S	S	*	*			trans	-58.7	119.2	175.7	0	0	0	0	0	107.5	G444 F448	G444-G446 PolarHBondContact O-N 2.77Å; G446-F448 VanDerWaalsContact C-N 3.28Å; G446-F448 PolarHBondContact O-N 3.34Å
447	L	32.8	Very low	46.2	Very low	161 Å²	161	127 Å²	127	84%	0.843	64%	0.638	S	S	*	*			trans	-59.8	102.6	159.1	-90.5	90.3	0	0	0	105.8	K445	K445-L447 PolarHBondContact O-N 2.95Å; K445-L447 VanDerWaalsContact O-N 3.11Å
448	F	28.8	Very low	48.7	Very low	179 Å²	179	120.7 Å²	120.7	79%	0.785	61%	0.611	S	S	*	*			trans	-51.3	131.8	170	-77.1	-85.8	0	0	0	108.1	G446 F450	G446-F448 VanDerWaalsContact C-N 3.28Å; G446-F448 PolarHBondContact O-N 3.34Å; F448-F450 PolarHBondContact O-N 3.28Å
449	P	36	Very low	51.3	Low	45 Å²	45	118.9 Å²	118.9	29%	0.292	59%	0.587	S	S	.	*			trans	-57.9	117.9	172.1	-8.4	19.8	0	0	0	107.6	R208 H451	R208-P449 VanDerWaalsContact NH1-CA 3.33Å; P449-H451 WeakPolarHBondContact CB-NE2 3.29Å; P449-H451 PolarHBondContact O-N 3.31Å
450	F	32.3	Very low	53.8	Low	202 Å²	202	113 Å²	113	89%	0.886	57%	0.565	S	S	*	*			trans	-68.9	84.6	158	-72.3	-80.1	0	0	0	106.2	F448 Q452	F448-F450 PolarHBondContact O-N 3.28Å; F450-Q452 PolarHBondContact O-N 2.94Å; F450-Q452 VanDerWaalsContact O-N 3.08Å
451	H	40.2	Very low	56.3	Low	136 Å²	136	106.5 Å²	106.5	63%	0.63	54%	0.539	S	S	*	.			trans	-63.3	109.9	164.3	-67.9	-75.8	0	0	0	105.9	P449 R453	P449-H451 WeakPolarHBondContact CB-NE2 3.29Å; P449-H451 PolarHBondContact O-N 3.31Å; H451-R453 PolarHBondContact O-N 3Å; H451-R453 VanDerWaalsContact O-N 3.1Å
452	Q	52.2	Low	58.9	Low	103 Å²	103	97.3 Å²	97.3	48%	0.481	51%	0.512	S	S	.	.			trans	-55.2	121.2	168.4	-174.6	-176.9	-0.9	0	0	107	G41 F450 Q454	G41-Q452 PolarHBondContact O-NE2 2.87Å; F450-Q452 PolarHBondContact O-N 2.94Å; F450-Q452 VanDerWaalsContact O-N 3.08Å; Q452-Q454 PolarHBondContact O-N 2.82Å
453	R	60.1	Low	61.5	Low	121 Å²	121	96 Å²	96	46%	0.457	49%	0.493	S	S	.	.			trans	-64.1	122.6	-173.3	-67.8	-179.3	179.2	-158.3	-4.5	109	H451 I455 F480 L482	H451-R453 PolarHBondContact O-N 3Å; H451-R453 VanDerWaalsContact O-N 3.1Å; R453-I455 PolarHBondContact O-N 2.84Å; R453-F480 HydrophobicContact CB-CD2 4.5Å; R453-L482 VanDerWaalsContact CZ-CD2 3.42Å; R453-L482 VanDerWaalsContact NH1-CG 3.32Å
454	Q	68.9	Low	63.9	Low	113 Å²	113	89.4 Å²	89.4	53%	0.528	45%	0.45	S	S	.	.			trans	-70.9	101.3	172.4	-175	165	18.9	0	0	108.4	Q452 G456 Y457	Q452-Q454 PolarHBondContact O-N 2.82Å; Q454-G456 VanDerWaalsContact C-N 3.29Å; Q454-G456 WeakPolarHBondContact CG-O 3.43Å; Q454-Y457 VanDerWaalsContact CD-CE1 3.48Å; Q454-Y457 HydrophobicContact CG-CE1 4.27Å; Q454-Y457 VanDerWaalsContact NE2-CD1 3.34Å
455	I	80.9	Confident	66.5	Low	53 Å²	53	90.6 Å²	90.6	27%	0.272	44%	0.441	S	S	.	.			trans	-88.1	3.6	-179.7	60.9	170.9	0	0	0	112.6	V119 G121 Y122 R453	V119-I455 HydrophobicContact CB-CD1 4.13Å; V119-I455 HydrophobicContact CG1-CD1 4.07Å; G121-I455 CarbonylContact C-O 3.5Å; G121-I455 WeakPolarHBondContact CA-O 3.14Å; Y122-I455 HydrophobicContact CD1-CD1 4.34Å; Y122-I455 HydrophobicContact CD1-CG1 4.18Å; Y122-I455 HydrophobicContact CE1-CD1 4.23Å; Y122-I455 HydrophobicContact CE1-CG1 3.89Å; Y122-I455 PolarHBondContact N-O 2.87Å; R453-I455 PolarHBondContact O-N 2.84Å
456	G	84.9	Confident	68.8	Low	4 Å²	4	86.6 Å²	86.6	4%	0.041	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	169.3	-174.7	0	0	0	0	0	116	Y122 Q454	Y122-G456 CarbonylContact O-C 3.48Å; Y122-G456 WeakPolarHBondContact O-CA 3.21Å; Q454-G456 VanDerWaalsContact C-N 3.29Å; Q454-G456 WeakPolarHBondContact CG-O 3.43Å
457	Y	89.4	Confident	71.5	Confident	60 Å²	60	87.4 Å²	87.4	24%	0.235	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.3	-179.2	-60.2	-82.3	0	0	0	112.1	Y122 N123 C124 Q454 P478	Y122-Y457 PolarHBondContact O-N 2.86Å; N123-Y457 CarbonylContact C-O 3.58Å; N123-Y457 WeakPolarHBondContact CA-O 3.34Å; N123-Y457 PolarHBondContact OD1-N 2.91Å; C124-Y457 PolarHBondContact N-O 3.22Å; Q454-Y457 VanDerWaalsContact CD-CE1 3.48Å; Q454-Y457 HydrophobicContact CG-CE1 4.27Å; Q454-Y457 VanDerWaalsContact NE2-CD1 3.34Å; Y457-P478 HydrophobicContact CE2-CG 3.72Å
458	V	91.9	Very high	74.3	Confident	45 Å²	45	83 Å²	83	27%	0.273	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.8	170.1	179.5	0	0	0	0	107.1	F48 Y122 C124 M126	F48-V458 HydrophobicContact CE2-CG2 4.27Å; F48-V458 HydrophobicContact CZ-CG1 3.96Å; F48-V458 HydrophobicContact CZ-CG2 4.03Å; Y122-V458 HydrophobicContact CE2-CG2 4.2Å; C124-V458 HydrophobicContact CB-CG1 4.47Å; C124-V458 HydrophobicContact CB-CG2 4.33Å; M126-V458 HydrophobicContact CG-CG1 3.52Å; M126-V458 HydrophobicContact SD-CG1 4.44Å
459	Y	91.5	Very high	77.2	Confident	79 Å²	79	77.4 Å²	77.4	31%	0.31	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.3	179.1	-56.7	-80.5	0	0	0	109	N123 C124 T125 M126	N123-Y459 HydrophobicContact CB-CE2 4.2Å; C124-Y459 WeakPolarHBondContact O-CD2 3.42Å; C124-Y459 PolarHBondContact O-N 2.53Å; T125-Y459 CarbonylContact C-O 3.58Å; T125-Y459 WeakPolarHBondContact CA-O 3.18Å; M126-Y459 PolarHBondContact N-O 3.41Å
460	R	90.5	Very high	79.8	Confident	107 Å²	107	75.3 Å²	75.3	40%	0.404	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.6	167.4	-68.3	-165.6	-179.2	-77	-7.7	108.3	E75	E75-R460 VanDerWaalsContact CD-NH2 3.35Å; E75-R460 IonicContact OE1-CZ 2.82Å; E75-R460 IonicContact OE1-NH1 2.92Å; E75-R460 PolarHBondContact OE1-NH1 3.13Å; E75-R460 IonicContact OE1-NH2 3.49Å; E75-R460 PolarHBondContact OE1-NH2 3.14Å; E75-R460 IonicContact OE2-CZ 3.88Å; E75-R460 IonicContact OE2-NH1 2.89Å; E75-R460 PolarHBondContact OE2-NH1 2.76Å; E75-R460 IonicContact OE2-NH2 3.84Å; E75-R460 PolarHBondContact OE2-NH2 2.91Å; E75-R460 VanDerWaalsContact OE2-NH2 3.16Å
461	L	90.9	Very high	82.4	Confident	62 Å²	62	69.2 Å²	69.2	33%	0.325	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	161.6	178.3	-61.3	178.5	0	0	0	109.1	T125 M126 R127	T125-L461 HydrophobicContact CG2-CD1 3.85Å; M126-L461 PolarHBondContact O-N 2.73Å; R127-L461 HydrophobicContact CG-CB 3.6Å; R127-L461 HydrophobicContact CG-CD1 4.38Å
462	P	91.2	Very high	84.5	Confident	53 Å²	53	65.2 Å²	65.2	34%	0.344	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-51.2	154.6	176.9	-23.7	27.1	0	0	0	112.7	R127 E147	R127-P462 PolarHBondContact NE-O 2.02Å; R127-P462 PolarHBondContact NH2-O 3.33Å; E147-P462 WeakPolarHBondContact OE1-CG 3.35Å; E147-P462 WeakPolarHBondContact OE2-CG 3.39Å
463	P	90.8	Very high	86.2	Confident	29 Å²	29	60.5 Å²	60.5	19%	0.188	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-52	150.1	174.7	-26.5	35.1	0	0	0	113.4	R127 S128 S145	R127-P463 PolarHBondContact NH2-O 3.38Å; S128-P463 CarbonylContact O-C 3.55Å; S128-P463 WeakPolarHBondContact O-CA 3.34Å; S145-P463 WeakPolarHBondContact OG-CB 3.46Å; S145-P463 VanDerWaalsContact OG-CG 3.25Å; S145-P463 WeakPolarHBondContact OG-CG 3.34Å
464	L	91.3	Very high	87.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-84	140.6	173.5	-77.6	165.5	0	0	0	110.4	I100 R127 S128 V129 A132 E468 L470 F518	I100-L464 HydrophobicContact CD1-CD1 4.29Å; R127-L464 HydrophobicContact CB-CD1 3.91Å; R127-L464 HydrophobicContact CB-CG 3.86Å; R127-L464 HydrophobicContact CG-CG 4.34Å; S128-L464 PolarHBondContact O-N 3.27Å; V129-L464 HydrophobicContact CG1-CB 4.11Å; V129-L464 HydrophobicContact CG1-CD1 3.74Å; V129-L464 HydrophobicContact CG1-CG 4.48Å; A132-L464 WeakPolarHBondContact CB-O 3.45Å; L464-E468 WeakPolarHBondContact CA-OE2 3.48Å; L464-E468 HydrophobicContact CB-CB 4.47Å; L464-E468 HydrophobicContact CD2-CB 3.52Å; L464-L470 HydrophobicContact CD1-CB 4.29Å; L464-F518 HydrophobicContact CB-CD1 4.39Å; L464-F518 HydrophobicContact CD1-CB 4.18Å; L464-F518 HydrophobicContact CD1-CD1 4.25Å
465	N	87.8	Confident	88.1	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-87.7	166.5	168.1	-61.9	-62	0	0	0	111.8	G467 E468	N465-G467 PolarHBondContact O-N 2.83Å; N465-E468 HydrophobicContact CB-CG 4.02Å; N465-E468 PolarHBondContact N-OE2 3.34Å; N465-E468 PolarHBondContact ND2-OE1 2.68Å; N465-E468 WeakPolarHBondContact O-CB 3Å; N465-E468 PolarHBondContact O-N 3.41Å
466	V	85	Confident	88.1	Confident	116 Å²	116	59.6 Å²	59.6	70%	0.703	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	124.8	174.6	-178.8	0	0	0	0	109.8	A132 E468	A132-V466 HydrophobicContact CB-CG2 3.9Å; A132-V466 WeakPolarHBondContact O-CG2 3.38Å; V466-E468 VanDerWaalsContact C-N 3.33Å
467	G	84.9	Confident	87.6	Confident	75 Å²	75	60 Å²	60	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-6.8	-179.5	0	0	0	0	0	114.7	N465	N465-G467 PolarHBondContact O-N 2.83Å
468	E	90.5	Very high	86.4	Confident	68 Å²	68	58.6 Å²	58.6	32%	0.318	34%	0.335	S	S	.	.			trans	-78.4	150.1	169	-65.3	-178.9	177.9	0	0	110.8	R127 L464 N465 V466 F518	R127-E468 IonicContact NH2-OE2 3.13Å; R127-E468 PolarHBondContact NH2-OE2 3.29Å; L464-E468 WeakPolarHBondContact CA-OE2 3.48Å; L464-E468 HydrophobicContact CB-CB 4.47Å; L464-E468 HydrophobicContact CD2-CB 3.52Å; N465-E468 HydrophobicContact CB-CG 4.02Å; N465-E468 PolarHBondContact N-OE2 3.34Å; N465-E468 PolarHBondContact ND2-OE1 2.68Å; N465-E468 WeakPolarHBondContact O-CB 3Å; N465-E468 PolarHBondContact O-N 3.41Å; V466-E468 VanDerWaalsContact C-N 3.33Å; E468-F518 WeakPolarHBondContact O-CD1 3.32Å
469	V	91.1	Very high	84.9	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.376	34%	0.339	S	S	.	.			trans	-117.8	148.7	175.7	-64.9	0	0	0	0	110.6	F518 E520	V469-F518 CarbonylContact C-O 3.52Å; V469-F518 WeakPolarHBondContact CA-O 3.35Å; V469-E520 HydrophobicContact CG2-CB 4.43Å
470	L	90.6	Very high	83.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-71.7	129.5	175.8	-175.9	67	0	0	0	109.9	G101 Q102 R127 L464 F518 F519	G101-L470 VanDerWaalsContact CA-CD2 3.44Å; Q102-L470 HydrophobicContact CB-CD2 3.93Å; R127-L470 HydrophobicContact CB-CD1 4.05Å; R127-L470 HydrophobicContact CG-CD1 3.67Å; L464-L470 HydrophobicContact CD1-CB 4.29Å; L470-F518 WeakPolarHBondContact CB-O 3.41Å; L470-F518 PolarHBondContact N-O 2.75Å; L470-F519 HydrophobicContact CD2-CD1 4.29Å; L470-F519 HydrophobicContact CD2-CE1 3.89Å
471	T	86.1	Confident	81	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.46	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-87.5	134.6	173.8	50.5	0	0	0	0	110.7	T125	T125-T471 PolarHBondContact OG1-O 3.2Å
472	P	84.3	Confident	78.8	Confident	51 Å²	51	60.6 Å²	60.6	33%	0.331	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.1	174	-11.7	17.5	0	0	0	111.6
473	P	88.8	Confident	76.1	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.032	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-67.6	161.2	174.6	26.2	-30.4	0	0	0	111.6	Q102 K104 N123 T125	Q102-P473 VanDerWaalsContact O-CD 3.28Å; Q102-P473 WeakPolarHBondContact O-CD 2.94Å; Q102-P473 WeakPolarHBondContact O-CG 3.47Å; K104-P473 HydrophobicContact CB-CG 4.23Å; K104-P473 WeakPolarHBondContact CD-O 3.49Å; K104-P473 WeakPolarHBondContact CE-O 3.27Å; K104-P473 HydrophobicContact CG-CG 4.05Å; K104-P473 PolarHBondContact NZ-O 3.39Å; N123-P473 HydrophobicContact CB-CB 3.97Å; N123-P473 HydrophobicContact CB-CG 4.34Å; N123-P473 VanDerWaalsContact O-CG 3.29Å; N123-P473 WeakPolarHBondContact O-CG 3.3Å; T125-P473 HydrophobicContact CG2-CB 3.9Å; T125-P473 WeakPolarHBondContact OG1-CD 2.93Å
474	E	86.5	Confident	73.8	Confident	136 Å²	136	66.6 Å²	66.6	64%	0.636	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-70	147	163.5	-67.2	-174.1	-179.2	0	0	111.1	N123 N476	N123-E474 PolarHBondContact ND2-O 2.94Å; E474-N476 PolarHBondContact O-N 3.2Å; E474-N476 PolarHBondContact OE2-ND2 3.46Å
475	A	82.4	Confident	71.3	Confident	36 Å²	36	72.7 Å²	72.7	30%	0.298	43%	0.434	S	S	.	.	S	Bend	trans	-91	38.9	178.4	0	0	0	0	0	112.5	K104 F477 F496	K104-A475 HydrophobicContact CD-CB 3.97Å; A475-F477 HydrophobicContact CB-CE1 3.83Å; A475-F477 HydrophobicContact CB-CZ 4.47Å; A475-F477 PolarHBondContact O-N 3.12Å; A475-F496 HydrophobicContact CB-CB 4.03Å; A475-F496 HydrophobicContact CB-CD2 3.41Å; A475-F496 VanDerWaalsContact CB-CD2 3.41Å; A475-F496 HydrophobicContact CB-CE2 4.07Å; A475-F496 HydrophobicContact CB-CG 3.92Å
476	N	79.5	Confident	69.2	Low	96 Å²	96	76.1 Å²	76.1	51%	0.513	45%	0.453	S	S	.	.			trans	-98.7	42	-177.7	61.8	-3.5	0	0	0	112	N123 E474	N123-N476 PolarHBondContact ND2-OD1 2.86Å; E474-N476 PolarHBondContact O-N 3.2Å; E474-N476 PolarHBondContact OE2-ND2 3.46Å
477	F	75.3	Confident	67.3	Low	11 Å²	11	76.5 Å²	76.5	5%	0.048	44%	0.441	C	S	.	.			trans	-77.9	155.9	-179.5	38	-92.2	0	0	0	111.8	I106 N123 A475 I479 F496	I106-F477 HydrophobicContact CB-CE2 4.28Å; I106-F477 HydrophobicContact CB-CZ 4.26Å; I106-F477 HydrophobicContact CD1-CE2 3.71Å; I106-F477 HydrophobicContact CD1-CZ 3.4Å; I106-F477 HydrophobicContact CG1-CE2 3.97Å; I106-F477 HydrophobicContact CG1-CZ 3.52Å; N123-F477 HydrophobicContact CB-CD1 4.48Å; A475-F477 HydrophobicContact CB-CE1 3.83Å; A475-F477 HydrophobicContact CB-CZ 4.47Å; A475-F477 PolarHBondContact O-N 3.12Å; F477-I479 HydrophobicContact CD2-CD1 4.15Å; F477-I479 HydrophobicContact CD2-CG1 3.58Å; F477-I479 HydrophobicContact CE2-CD1 3.69Å; F477-I479 HydrophobicContact CE2-CG1 3.57Å; F477-I479 PolarHBondContact O-N 3.12Å; F477-F496 HydrophobicContact CE1-CE2 4.15Å; F477-F496 HydrophobicContact CZ-CD2 4.47Å; F477-F496 HydrophobicContact CZ-CE2 4.07Å
478	P	63.7	Low	65.5	Low	32 Å²	32	78.1 Å²	78.1	21%	0.208	44%	0.438	C	S	.	.			trans	-64.3	101.5	175.4	-18.1	31.9	0	0	0	110.3	Y457 F480	Y457-P478 HydrophobicContact CE2-CG 3.72Å; P478-F480 HydrophobicContact CB-CD2 4.24Å; P478-F480 HydrophobicContact CB-CE2 3.49Å; P478-F480 VanDerWaalsContact CB-CE2 3.49Å; P478-F480 HydrophobicContact CB-CZ 3.69Å
479	I	61	Low	63.7	Low	71 Å²	71	80.8 Å²	80.8	36%	0.364	46%	0.461	S	S	.	.			trans	-90.6	107	173.8	-59.8	172.3	0	0	0	107.7	F477 I493	F477-I479 HydrophobicContact CD2-CD1 4.15Å; F477-I479 HydrophobicContact CD2-CG1 3.58Å; F477-I479 HydrophobicContact CE2-CD1 3.69Å; F477-I479 HydrophobicContact CE2-CG1 3.57Å; F477-I479 PolarHBondContact O-N 3.12Å; I479-I493 HydrophobicContact CD1-CB 4.47Å; I479-I493 HydrophobicContact CD1-CG2 3.87Å; I479-I493 HydrophobicContact CG2-CD1 3.48Å; I479-I493 VanDerWaalsContact CG2-CD1 3.48Å
480	F	52.3	Low	62.3	Low	106 Å²	106	81.1 Å²	81.1	47%	0.465	46%	0.459	S	S	.	.			trans	-95.6	99.9	177.7	-62.7	-72.8	0	0	0	111.1	R453 P478 L482	R453-F480 HydrophobicContact CB-CD2 4.5Å; P478-F480 HydrophobicContact CB-CD2 4.24Å; P478-F480 HydrophobicContact CB-CE2 3.49Å; P478-F480 VanDerWaalsContact CB-CE2 3.49Å; P478-F480 HydrophobicContact CB-CZ 3.69Å; F480-L482 PolarHBondContact O-N 3.19Å
481	S	47.9	Very low	61.1	Low	91 Å²	91	81.9 Å²	81.9	64%	0.636	46%	0.464	S	S	*	.			trans	-66	108.7	156.5	-53.6	0	0	0	0	107.7	P483	S481-P483 WeakPolarHBondContact O-CD 3.43Å
482	L	43.8	Very low	60.5	Low	67 Å²	67	86.2 Å²	86.2	35%	0.351	48%	0.479	S	S	.	.			trans	-59.9	121.8	174.2	-89.3	152.1	0	0	0	109.4	R453 F480 N484	R453-L482 VanDerWaalsContact CZ-CD2 3.42Å; R453-L482 VanDerWaalsContact NH1-CG 3.32Å; F480-L482 PolarHBondContact O-N 3.19Å; L482-N484 PolarHBondContact O-N 3.04Å
483	P	35	Very low	60.3	Low	116 Å²	116	85.5 Å²	85.5	75%	0.753	47%	0.472	S	S	*	.			trans	-74	98.8	163.9	29.5	-26.8	0	0	0	106.1	S481	S481-P483 WeakPolarHBondContact O-CD 3.43Å
484	N	43.1	Very low	60	Low	92 Å²	92	89.7 Å²	89.7	49%	0.492	49%	0.487	S	S	.	.			trans	-140.3	108.1	176.2	-115.9	-14.8	0	0	0	110.5	L482 N486 R487	L482-N484 PolarHBondContact O-N 3.04Å; N484-N486 PolarHBondContact O-N 2.73Å; N484-R487 PolarHBondContact O-N 3.21Å
485	C	37.2	Very low	59.9	Low	127 Å²	127	88.7 Å²	88.7	86%	0.858	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	12.5	-165.6	-56.9	0	0	0	0	117.2
486	N	43.8	Very low	60	Low	166 Å²	166	88.4 Å²	88.4	89%	0.888	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.4	26.7	-176.3	-74.9	-42.3	0	0	0	113.7	N484	N484-N486 PolarHBondContact O-N 2.73Å
487	R	45	Very low	60.2	Low	124 Å²	124	85.3 Å²	85.3	47%	0.468	47%	0.47	S	S	.	.	S	Bend	trans	-119.7	152	178.9	-77.1	-174.8	-173.4	-174.1	-0.1	112.1	N484	N484-R487 PolarHBondContact O-N 3.21Å
488	P	48	Very low	60.4	Low	108 Å²	108	94.5 Å²	94.5	70%	0.701	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-49.9	143.7	168.1	-20.6	29.9	0	0	0	109.5	Q490	P488-Q490 PolarHBondContact O-N 3.31Å; P488-Q490 VanDerWaalsContact O-N 3.14Å
489	P	52.7	Low	61.2	Low	124 Å²	124	98 Å²	98	81%	0.805	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-49.4	125.4	175.9	-21.3	30.3	0	0	0	109
490	Q	60.8	Low	62.3	Low	69 Å²	69	96.8 Å²	96.8	32%	0.322	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-63.3	138.5	168.7	-79.9	-153.8	-9.2	0	0	107.9	P488 E492	P488-Q490 PolarHBondContact O-N 3.31Å; P488-Q490 VanDerWaalsContact O-N 3.14Å; Q490-E492 PolarHBondContact O-N 3.44Å
491	P	66.3	Low	63.9	Low	16 Å²	16	91.8 Å²	91.8	10%	0.104	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-53.7	134.2	176.8	-21.5	30	0	0	0	110.3	V61 A64 I66 T108 I493	V61-P491 HydrophobicContact CB-CB 4.15Å; V61-P491 HydrophobicContact CG1-CB 4.22Å; V61-P491 HydrophobicContact CG2-CB 4.24Å; A64-P491 HydrophobicContact CB-CG 3.82Å; I66-P491 HydrophobicContact CD1-CB 3.49Å; I66-P491 VanDerWaalsContact CD1-CB 3.49Å; I66-P491 HydrophobicContact CD1-CG 4.48Å; I66-P491 HydrophobicContact CG1-CB 4Å; T108-P491 HydrophobicContact CG2-CG 4.45Å; P491-I493 PolarHBondContact O-N 3.06Å
492	E	73.8	Confident	65.6	Low	167 Å²	167	96.1 Å²	96.1	78%	0.78	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-64.7	124.1	175.8	-172.1	176.6	176.8	0	0	109.6	Q490	Q490-E492 PolarHBondContact O-N 3.44Å
493	I	79.2	Confident	67.7	Low	36 Å²	36	95.9 Å²	95.9	19%	0.185	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-86.9	126.9	-179.4	-67.1	164.8	0	0	0	109.1	Y68 I106 N120 I479 P491	Y68-I493 HydrophobicContact CE1-CG2 4.27Å; I106-I493 HydrophobicContact CD1-CG2 3.41Å; I106-I493 VanDerWaalsContact CD1-CG2 3.41Å; I106-I493 HydrophobicContact CG2-CD1 4.43Å; I106-I493 HydrophobicContact CG2-CG2 4.27Å; N120-I493 HydrophobicContact CB-CD1 3.9Å; I479-I493 HydrophobicContact CD1-CB 4.47Å; I479-I493 HydrophobicContact CD1-CG2 3.87Å; I479-I493 HydrophobicContact CG2-CD1 3.48Å; I479-I493 VanDerWaalsContact CG2-CD1 3.48Å; P491-I493 PolarHBondContact O-N 3.06Å
494	R	82.7	Confident	70.4	Confident	93 Å²	93	90.9 Å²	90.9	35%	0.351	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-90.4	162.8	179.3	-56.1	-172.2	-163.5	-154.3	6.9	111.2	H17 L19 D59 Y68	H17-R494 PolarHBondContact O-NH1 3.29Å; L19-R494 HydrophobicContact CD2-CB 4.48Å; D59-R494 IonicContact OD1-NH2 2.61Å; D59-R494 IonicContact OD2-CZ 3.33Å; D59-R494 IonicContact OD2-NE 2.73Å; D59-R494 PolarHBondContact OD2-NE 2.86Å; D59-R494 IonicContact OD2-NH2 3.86Å; D59-R494 PolarHBondContact OD2-NH2 2.74Å; Y68-R494 VanDerWaalsContact CE1-O 3.29Å; Y68-R494 WeakPolarHBondContact CE1-O 3.4Å; Y68-R494 PolarHBondContact OH-N 3.48Å
495	P	83.9	Confident	72.7	Confident	115 Å²	115	89 Å²	89	75%	0.747	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-59.6	151.5	169.2	-22.8	34.2	0	0	0	111.9
496	F	85.8	Confident	75.3	Confident	30 Å²	30	83.4 Å²	83.4	13%	0.132	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-57.6	139.6	173.2	-107.3	-97.7	0	0	0	110.9	Y68 V70 K104 V105 I106 A475 F477	Y68-F496 HydrophobicContact CD1-CD2 4.13Å; Y68-F496 HydrophobicContact CD1-CE2 4.22Å; Y68-F496 HydrophobicContact CD1-CG 4.45Å; V70-F496 HydrophobicContact CG2-CE1 4.1Å; K104-F496 HydrophobicContact CB-CE1 4.37Å; K104-F496 HydrophobicContact CB-CE2 4.15Å; K104-F496 HydrophobicContact CB-CZ 3.9Å; K104-F496 HydrophobicContact CD-CD1 4.31Å; K104-F496 HydrophobicContact CD-CE1 4.38Å; K104-F496 HydrophobicContact CD-CG 4.48Å; K104-F496 HydrophobicContact CG-CE1 4.35Å; K104-F496 HydrophobicContact CG-CZ 4.38Å; V105-F496 WeakPolarHBondContact O-CZ 3.45Å; I106-F496 HydrophobicContact CD1-CD2 4.23Å; I106-F496 HydrophobicContact CD1-CE2 4Å; I106-F496 HydrophobicContact CG1-CD2 4.27Å; I106-F496 HydrophobicContact CG1-CE2 3.56Å; I106-F496 HydrophobicContact CG1-CZ 4.3Å; A475-F496 HydrophobicContact CB-CB 4.03Å; A475-F496 HydrophobicContact CB-CD2 3.41Å; A475-F496 VanDerWaalsContact CB-CD2 3.41Å; A475-F496 HydrophobicContact CB-CE2 4.07Å; A475-F496 HydrophobicContact CB-CG 3.92Å; F477-F496 HydrophobicContact CE1-CE2 4.15Å; F477-F496 HydrophobicContact CZ-CD2 4.47Å; F477-F496 HydrophobicContact CZ-CE2 4.07Å
497	P	83	Confident	77.6	Confident	31 Å²	31	82 Å²	82	20%	0.201	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-61.3	142.9	175.9	5.1	-0.9	0	0	0	111	L19 H57	L19-P497 HydrophobicContact CB-CG 4.29Å; L19-P497 HydrophobicContact CD1-CB 4.32Å; L19-P497 VanDerWaalsContact CD1-CD 3.47Å; L19-P497 HydrophobicContact CD1-CG 3.6Å; H57-P497 HydrophobicContact CB-CG 3.85Å; H57-P497 WeakPolarHBondContact ND1-CG 3.23Å
498	Q	79.6	Confident	79.8	Confident	204 Å²	204	78.2 Å²	78.2	95%	0.953	42%	0.421	S	S	*	.	S	Bend	trans	-83.7	-17.6	176.4	-65.6	-175.4	-5	0	0	112.7
499	T	80.5	Confident	81.6	Confident	104 Å²	104	76.9 Å²	76.9	64%	0.638	41%	0.405	S	S	*	.	S	Bend	trans	-107.9	130.9	179.4	53.4	0	0	0	0	109.8	H57	H57-T499 PolarHBondContact CE1-O 3.48Å; H57-T499 PolarHBondContact NE2-O 2.75Å
500	A	83.5	Confident	82.8	Confident	46 Å²	46	72.8 Å²	72.8	38%	0.38	39%	0.386	S	S	.	.			trans	-68.3	154.1	174.8	0	0	0	0	0	112
501	S	85.5	Confident	83.3	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.014	40%	0.395	C	S	.	.			trans	-66.5	136.7	172.4	173.7	0	0	0	0	110.9	P21 T22 D55 A56 H57 S503 C504	P21-S501 WeakPolarHBondContact CB-OG 3.42Å; T22-S501 PolarHBondContact O-OG 3.42Å; D55-S501 WeakPolarHBondContact OD1-CB 3.4Å; D55-S501 PolarHBondContact OD1-N 3.49Å; A56-S501 WeakPolarHBondContact O-CB 3.13Å; H57-S501 PolarHBondContact CE1-N 3.17Å; S501-S503 PolarHBondContact O-N 2.88Å; S501-S503 VanDerWaalsContact O-N 3.12Å; S501-S503 PolarHBondContact OG-N 3.32Å; S501-C504 WeakPolarHBondContact O-CB 3.34Å; S501-C504 PolarHBondContact O-N 3.33Å; S501-C504 VanDerWaalsContact O-N 3.12Å
502	K	84.3	Confident	83.7	Confident	181 Å²	181	76.1 Å²	76.1	79%	0.787	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.3	179.9	-63.7	-176.9	179.3	-176.8	0	113.6	C504	K502-C504 VanDerWaalsContact C-N 3.33Å
503	S	87.6	Confident	84	Confident	63 Å²	63	71.6 Å²	71.6	44%	0.441	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	24.7	-180	-60.2	0	0	0	0	112.3	C24 S501	C24-S503 PolarHBondContact N-O 3.29Å; S501-S503 PolarHBondContact O-N 2.88Å; S501-S503 VanDerWaalsContact O-N 3.12Å; S501-S503 PolarHBondContact OG-N 3.32Å
504	C	91.7	Very high	84.1	Confident	10 Å²	10	74.3 Å²	74.3	7%	0.068	40%	0.395	C	S	.	.			trans	-132.3	153.5	-179	-65.6	0	0	0	0	109.8	C24 S54 S501 K502	C24-C504 HydrophobicContact CB-CB 4.03Å; C24-C504 WeakPolarHBondContact CB-SG 3.29Å; C24-C504 WeakPolarHBondContact SG-CB 3.27Å; C24-C504 CovalentContact SG-SG 2.02Å; C24-C504 PolarHBondContact SG-SG 3.34Å; S54-C504 WeakPolarHBondContact O-CB 3.41Å; S501-C504 WeakPolarHBondContact O-CB 3.34Å; S501-C504 PolarHBondContact O-N 3.33Å; S501-C504 VanDerWaalsContact O-N 3.12Å; K502-C504 VanDerWaalsContact C-N 3.33Å
505	P	92.7	Very high	84.3	Confident	53 Å²	53	70 Å²	70	34%	0.344	38%	0.379	S	S	.	.	S	Bend	cis	-71.7	155.4	1.1	31.5	-36.3	0	0	0	112.9
506	G	91.7	Very high	84.5	Confident	9 Å²	9	65.7 Å²	65.7	9%	0.093	35%	0.351	C	S	.	.			trans	-73.9	-179.4	171.6	0	0	0	0	0	112.7	C24 D25 V53 F508	C24-G506 VanDerWaalsContact CB-N 3.35Å; D25-G506 WeakPolarHBondContact OD1-CA 3.43Å; V53-G506 PolarHBondContact O-N 2.87Å; G506-F508 PolarHBondContact O-N 3.48Å
507	K	92.2	Very high	84.6	Confident	137 Å²	137	69.7 Å²	69.7	60%	0.596	37%	0.374	S	S	*	.			trans	-60.3	126.4	178.5	-171.9	-178.2	178.6	-171.6	0	111	D25 R52 E509	D25-K507 PolarHBondContact OD1-N 2.9Å; R52-K507 WeakPolarHBondContact CB-O 3.34Å; K507-E509 HydrophobicContact CD-CG 4.48Å; K507-E509 HydrophobicContact CG-CG 4.43Å
508	F	91.4	Very high	85	Confident	44 Å²	44	69.1 Å²	69.1	19%	0.193	37%	0.368	C	S	.	.			trans	-76.3	124.2	173.1	-166.3	-85.1	0	0	0	110.4	L51 R52 G506 V515 F519	L51-F508 HydrophobicContact CB-CD2 4.36Å; L51-F508 HydrophobicContact CB-CE2 3.82Å; L51-F508 HydrophobicContact CB-CZ 4.01Å; L51-F508 HydrophobicContact CD1-CE2 4.02Å; L51-F508 HydrophobicContact CD1-CZ 3.85Å; L51-F508 HydrophobicContact CD2-CE1 4.33Å; L51-F508 HydrophobicContact CD2-CZ 3.97Å; L51-F508 HydrophobicContact CG-CE2 4.38Å; L51-F508 HydrophobicContact CG-CZ 4.17Å; R52-F508 HydrophobicContact CG-CD2 4Å; G506-F508 PolarHBondContact O-N 3.48Å; F508-V515 HydrophobicContact CE1-CG2 4.32Å; F508-V515 HydrophobicContact CZ-CG2 3.71Å; F508-F519 HydrophobicContact CE2-CD2 4.13Å; F508-F519 HydrophobicContact CE2-CE2 4.05Å; F508-F519 HydrophobicContact CZ-CE2 4.46Å
509	E	84.7	Confident	85.5	Confident	81 Å²	81	59.4 Å²	59.4	38%	0.379	32%	0.323	S	S	.	.			trans	-127.1	120.5	177.1	-70.1	-177.7	-157.4	0	0	109.8	K28 L51 K507	K28-E509 IonicContact NZ-OE1 3.14Å; K28-E509 PolarHBondContact NZ-OE1 2.77Å; K28-E509 IonicContact NZ-OE2 3.41Å; K28-E509 PolarHBondContact NZ-OE2 2.86Å; L51-E509 WeakPolarHBondContact CA-O 3.45Å; L51-E509 WeakPolarHBondContact CD2-O 3.41Å; L51-E509 PolarHBondContact O-N 2.66Å; K507-E509 HydrophobicContact CD-CG 4.48Å; K507-E509 HydrophobicContact CG-CG 4.43Å
510	G	77.3	Confident	85.4	Confident	38 Å²	38	58.8 Å²	58.8	39%	0.392	31%	0.313	S	S	.	.			trans	-173.1	153.7	177.8	0	0	0	0	0	110.4	F512	G510-F512 PolarHBondContact O-N 2.83Å; G510-F512 VanDerWaalsContact O-N 3.17Å
511	K	72.6	Confident	84.5	Confident	121 Å²	121	61.7 Å²	61.7	53%	0.526	32%	0.318	S	S	.	.	S	Bend	trans	-64.4	-17	175.8	-63.9	-173.8	-176.7	178.6	0	112.6	P91 P513	P91-K511 HydrophobicContact CG-CD 4.05Å; P91-K511 HydrophobicContact CG-CG 4.44Å; K511-P513 WeakPolarHBondContact O-CD 3.42Å
512	F	74.9	Confident	82.9	Confident	33 Å²	33	65.4 Å²	65.4	15%	0.145	34%	0.341	C	S	.	.			trans	-123.9	77.4	-177.2	-50.5	-68.4	0	0	0	110	P91 A92 M93 G510 Q514 V515	P91-F512 HydrophobicContact CB-CD2 4.4Å; P91-F512 HydrophobicContact CB-CE2 3.7Å; A92-F512 WeakPolarHBondContact O-CZ 3.26Å; M93-F512 HydrophobicContact CG-CE1 4.29Å; M93-F512 HydrophobicContact CG-CZ 3.97Å; G510-F512 PolarHBondContact O-N 2.83Å; G510-F512 VanDerWaalsContact O-N 3.17Å; F512-Q514 PolarHBondContact O-N 3Å; F512-Q514 VanDerWaalsContact O-N 3.07Å; F512-V515 HydrophobicContact CB-CG1 3.77Å; F512-V515 WeakPolarHBondContact O-CG2 3.45Å; F512-V515 PolarHBondContact O-N 3.45Å; F512-V515 VanDerWaalsContact O-N 3.07Å
513	P	80	Confident	81	Confident	72 Å²	72	61.2 Å²	61.2	47%	0.468	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.5	-178.6	23.5	-33.7	0	0	0	112.4	K511 V515 S516	K511-P513 WeakPolarHBondContact O-CD 3.42Å; P513-V515 PolarHBondContact O-N 3.43Å; P513-S516 VanDerWaalsContact O-CB 3.29Å; P513-S516 WeakPolarHBondContact O-CB 3.34Å; P513-S516 PolarHBondContact O-N 3.4Å; P513-S516 VanDerWaalsContact O-N 3.16Å; P513-S516 PolarHBondContact O-OG 3.41Å
514	Q	80.3	Confident	78.8	Confident	94 Å²	94	61.1 Å²	61.1	44%	0.439	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.2	178.9	-54.5	95.2	10.5	0	0	113.7	Y133 F512 S516 N517	Y133-Q514 HydrophobicContact CD2-CB 4.34Å; Y133-Q514 HydrophobicContact CE2-CB 3.71Å; Y133-Q514 HydrophobicContact CE2-CG 4.16Å; Y133-Q514 PolarHBondContact OH-OE1 2.81Å; F512-Q514 PolarHBondContact O-N 3Å; F512-Q514 VanDerWaalsContact O-N 3.07Å; Q514-S516 PolarHBondContact O-N 2.96Å; Q514-N517 PolarHBondContact O-N 2.87Å
515	V	86.6	Confident	75.9	Confident	3 Å²	3	74 Å²	74	2%	0.018	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-70.1	-13.4	179	-50.2	0	0	0	0	112.1	L51 V98 I100 V129 F508 F512 P513 N517 F518 F519	L51-V515 HydrophobicContact CD1-CG2 4.43Å; V98-V515 HydrophobicContact CG1-CG1 4.24Å; I100-V515 HydrophobicContact CG2-CB 4.28Å; I100-V515 HydrophobicContact CG2-CG2 4.24Å; V129-V515 HydrophobicContact CG2-CG1 4.49Å; F508-V515 HydrophobicContact CE1-CG2 4.32Å; F508-V515 HydrophobicContact CZ-CG2 3.71Å; F512-V515 HydrophobicContact CB-CG1 3.77Å; F512-V515 WeakPolarHBondContact O-CG2 3.45Å; F512-V515 PolarHBondContact O-N 3.45Å; F512-V515 VanDerWaalsContact O-N 3.07Å; P513-V515 PolarHBondContact O-N 3.43Å; V515-N517 PolarHBondContact O-N 3.06Å; V515-N517 VanDerWaalsContact O-N 3.15Å; V515-F518 HydrophobicContact CB-CD2 4.37Å; V515-F518 PolarHBondContact O-N 2.98Å; V515-F518 VanDerWaalsContact O-N 3.13Å; V515-F519 WeakPolarHBondContact O-CD2 3.34Å
516	S	88.1	Confident	75.1	Confident	24 Å²	24	75 Å²	75	17%	0.168	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29	174.7	68.2	0	0	0	0	112.5	P513 Q514 F518 F519 H521	P513-S516 VanDerWaalsContact O-CB 3.29Å; P513-S516 WeakPolarHBondContact O-CB 3.34Å; P513-S516 PolarHBondContact O-N 3.4Å; P513-S516 VanDerWaalsContact O-N 3.16Å; P513-S516 PolarHBondContact O-OG 3.41Å; Q514-S516 PolarHBondContact O-N 2.96Å; S516-F518 PolarHBondContact O-N 3.29Å; S516-F519 PolarHBondContact O-N 3.31Å; S516-F519 VanDerWaalsContact O-N 3.13Å; S516-H521 PolarHBondContact O-CE1 3.29Å
517	N	88.1	Confident	74.2	Confident	114 Å²	114	78.5 Å²	78.5	61%	0.61	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.3	-178.3	-65.2	-17	0	0	0	113.5	Q514 V515 F519	Q514-N517 PolarHBondContact O-N 2.87Å; V515-N517 PolarHBondContact O-N 3.06Å; V515-N517 VanDerWaalsContact O-N 3.15Å; N517-F519 VanDerWaalsContact C-N 3.31Å
518	F	91.2	Very high	73.2	Confident	18 Å²	18	75.2 Å²	75.2	8%	0.079	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-87	-2	177	-62.4	-74.9	0	0	0	112.8	I100 V129 A132 L464 E468 V469 L470 V515 S516	I100-F518 HydrophobicContact CD1-CB 3.42Å; I100-F518 VanDerWaalsContact CD1-CB 3.42Å; I100-F518 HydrophobicContact CD1-CG 4.23Å; V129-F518 HydrophobicContact CB-CD2 4.06Å; V129-F518 HydrophobicContact CB-CE2 3.93Å; V129-F518 HydrophobicContact CB-CG 4.43Å; V129-F518 HydrophobicContact CB-CZ 4.17Å; V129-F518 HydrophobicContact CG1-CB 4.16Å; V129-F518 HydrophobicContact CG1-CD1 3.93Å; V129-F518 HydrophobicContact CG1-CD2 3.75Å; V129-F518 HydrophobicContact CG1-CE1 4.23Å; V129-F518 HydrophobicContact CG1-CE2 4.09Å; V129-F518 HydrophobicContact CG1-CG 3.68Å; V129-F518 HydrophobicContact CG1-CZ 4.32Å; V129-F518 HydrophobicContact CG2-CD2 4.47Å; V129-F518 HydrophobicContact CG2-CE2 4.45Å; A132-F518 HydrophobicContact CB-CE1 3.7Å; A132-F518 HydrophobicContact CB-CZ 3.7Å; L464-F518 HydrophobicContact CB-CD1 4.39Å; L464-F518 HydrophobicContact CD1-CB 4.18Å; L464-F518 HydrophobicContact CD1-CD1 4.25Å; E468-F518 WeakPolarHBondContact O-CD1 3.32Å; V469-F518 CarbonylContact C-O 3.52Å; V469-F518 WeakPolarHBondContact CA-O 3.35Å; L470-F518 WeakPolarHBondContact CB-O 3.41Å; L470-F518 PolarHBondContact N-O 2.75Å; V515-F518 HydrophobicContact CB-CD2 4.37Å; V515-F518 PolarHBondContact O-N 2.98Å; V515-F518 VanDerWaalsContact O-N 3.13Å; S516-F518 PolarHBondContact O-N 3.29Å
519	F	90.4	Very high	72.2	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-97.7	136.3	172.8	-66	-83.9	0	0	0	109.6	L51 R52 D72 I100 G101 Q102 L470 F508 V515 S516 N517 H521	L51-F519 HydrophobicContact CD1-CE2 3.73Å; L51-F519 HydrophobicContact CD1-CZ 3.67Å; R52-F519 VanDerWaalsContact NH2-CB 3.32Å; D72-F519 HydrophobicContact CB-CD1 3.96Å; D72-F519 HydrophobicContact CB-CE1 3.58Å; D72-F519 HydrophobicContact CB-CE2 4.47Å; D72-F519 HydrophobicContact CB-CZ 3.85Å; D72-F519 VanDerWaalsContact CG-CE1 3.42Å; D72-F519 VanDerWaalsContact OD2-CD1 3.23Å; D72-F519 WeakPolarHBondContact OD2-CD1 3.35Å; D72-F519 WeakPolarHBondContact OD2-CG 2.96Å; I100-F519 HydrophobicContact CB-CE2 4.32Å; I100-F519 HydrophobicContact CB-CZ 3.86Å; I100-F519 HydrophobicContact CD1-CD2 4.44Å; I100-F519 HydrophobicContact CD1-CE1 4.46Å; I100-F519 HydrophobicContact CD1-CE2 3.89Å; I100-F519 HydrophobicContact CD1-CZ 3.92Å; I100-F519 HydrophobicContact CG1-CZ 4.37Å; I100-F519 HydrophobicContact CG2-CE2 4.48Å; I100-F519 HydrophobicContact CG2-CZ 4.41Å; G101-F519 WeakPolarHBondContact O-CE1 3.44Å; Q102-F519 HydrophobicContact CG-CD1 4.34Å; Q102-F519 HydrophobicContact CG-CE1 4.35Å; L470-F519 HydrophobicContact CD2-CD1 4.29Å; L470-F519 HydrophobicContact CD2-CE1 3.89Å; F508-F519 HydrophobicContact CE2-CD2 4.13Å; F508-F519 HydrophobicContact CE2-CE2 4.05Å; F508-F519 HydrophobicContact CZ-CE2 4.46Å; V515-F519 WeakPolarHBondContact O-CD2 3.34Å; S516-F519 PolarHBondContact O-N 3.31Å; S516-F519 VanDerWaalsContact O-N 3.13Å; N517-F519 VanDerWaalsContact C-N 3.31Å; F519-H521 PolarHBondContact O-N 3.24Å; F519-H521 VanDerWaalsContact O-N 3.14Å; F519-H521 PolarHBondContact O-ND1 3.29Å
520	E	78.7	Confident	71.4	Confident	92 Å²	92	76.8 Å²	76.8	43%	0.43	41%	0.405	S	S	.	.			trans	-59.6	121.4	173.8	-166.2	177.8	172.2	0	0	109.3	V469 T522	V469-E520 HydrophobicContact CG2-CB 4.43Å; E520-T522 PolarHBondContact O-N 2.9Å
521	H	65	Low	71	Confident	106 Å²	106	79.4 Å²	79.4	49%	0.491	41%	0.405	S	S	.	.			trans	-86.9	95.1	169.6	-68.9	72.8	0	0	0	106.4	S516 F519 P523	S516-H521 PolarHBondContact O-CE1 3.29Å; F519-H521 PolarHBondContact O-N 3.24Å; F519-H521 VanDerWaalsContact O-N 3.14Å; F519-H521 PolarHBondContact O-ND1 3.29Å; H521-P523 VanDerWaalsContact C-CD 3.48Å; H521-P523 WeakPolarHBondContact O-CD 3.39Å
522	T	51.5	Low	70.9	Confident	80 Å²	80	76.4 Å²	76.4	49%	0.491	40%	0.397	S	S	.	.			trans	-90.4	93.2	166.9	-34.7	0	0	0	0	107.4	E520	E520-T522 PolarHBondContact O-N 2.9Å
523	P	44.9	Very low	70.6	Confident	94 Å²	94	79.8 Å²	79.8	61%	0.61	42%	0.416	S	S	*	.			trans	-59	141.9	164.5	26.5	-32.4	0	0	0	108	H521 K525	H521-P523 VanDerWaalsContact C-CD 3.48Å; H521-P523 WeakPolarHBondContact O-CD 3.39Å; P523-K525 PolarHBondContact O-N 3.21Å
524	P	40.5	Very low	69.8	Low	60 Å²	60	80.4 Å²	80.4	39%	0.39	41%	0.412	S	S	.	.			trans	-56.8	125.9	173	22.7	-31.1	0	0	0	108.8
525	K	32	Very low	68.8	Low	280 Å²	280	79.2 Å²	79.2	100%	1.217	41%	0.409	S	S	*	.			trans	-64.2	0	171.1	-84.7	-175.1	179	174.4	0	111.7	P523	P523-K525 PolarHBondContact O-N 3.21Å

Retrieved 525 of 525 residues in 862.1 ms (Link to these results)

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