A0A061IIU5_CRIGR Loading...

RING finger protein 39

AlphaFold DB , UniProt , Accession A0A061IIU5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rnf39, Length 352 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	32.6	Very low	40.5	Very low	242 Å²	242	107.2 Å²	107.2	100%	1.192	60%	0.604	S	S	*	*				0	100.8	0	-151.8	177.1	-65.2	0	0	105.9
2	E	30.4	Very low	41.8	Very low	190 Å²	190	107.3 Å²	107.3	89%	0.888	60%	0.596	S	S	*	*			trans	-58.9	144.1	-176	-66.4	-177.2	121.2	0	0	110
3	A	32.3	Very low	43	Very low	35 Å²	35	110.6 Å²	110.6	29%	0.289	59%	0.594	S	S	.	*			trans	-60.2	145.9	169.3	0	0	0	0	0	108.4	E5	A3-E5 VanDerWaalsContact C-N 3.27Å; A3-E5 PolarHBondContact O-N 3.39Å
4	P	36.8	Very low	44	Very low	128 Å²	128	106.3 Å²	106.3	83%	0.831	57%	0.57	S	S	*	*			trans	-64.6	99.9	167.6	27.5	-29.4	0	0	0	106.2	L6	P4-L6 PolarHBondContact O-N 2.84Å
5	E	37.3	Very low	45.2	Very low	172 Å²	172	102.9 Å²	102.9	80%	0.804	55%	0.55	S	S	*	.			trans	-52.6	127.3	159.3	-63.4	-166.2	151.4	0	0	105.5	A3 G7	A3-E5 VanDerWaalsContact C-N 3.27Å; A3-E5 PolarHBondContact O-N 3.39Å; E5-G7 PolarHBondContact O-N 3.23Å
6	L	43.1	Very low	46.3	Very low	144 Å²	144	104.6 Å²	104.6	75%	0.754	55%	0.553	S	S	*	*			trans	-62.5	84.3	162.8	-77.5	152.8	0	0	0	105.2	P4 L10	P4-L6 PolarHBondContact O-N 2.84Å; L6-L10 HydrophobicContact CD2-CD2 3.39Å
7	G	38.4	Very low	47.4	Very low	26 Å²	26	105 Å²	105	27%	0.268	56%	0.555	S	S	.	*			trans	-61.5	155.8	-170.7	0	0	0	0	0	110.6	E5 G9 L10	E5-G7 PolarHBondContact O-N 3.23Å; G7-G9 PolarHBondContact O-N 3.01Å; G7-L10 PolarHBondContact O-N 3.14Å
8	P	43.9	Very low	48.8	Very low	114 Å²	114	99.4 Å²	99.4	74%	0.74	53%	0.526	S	S	*	.	H	α-helix	trans	-50.2	-27.6	177.7	17.3	-29.8	0	0	0	113.1	L10 V11 E12	P8-L10 VanDerWaalsContact C-N 3.35Å; P8-L10 PolarHBondContact O-N 3.23Å; P8-V11 PolarHBondContact O-N 3.44Å; P8-E12 PolarHBondContact O-N 3.04Å; P8-E12 VanDerWaalsContact O-N 3.12Å
9	G	45.8	Very low	50.2	Low	38 Å²	38	97 Å²	97	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-21.9	176.7	0	0	0	0	0	116.1	G7 R13	G7-G9 PolarHBondContact O-N 3.01Å; G9-R13 VanDerWaalsContact O-CB 3.32Å; G9-R13 WeakPolarHBondContact O-CB 3.47Å; G9-R13 WeakPolarHBondContact O-CD 3.34Å; G9-R13 WeakPolarHBondContact O-CG 3.37Å; G9-R13 PolarHBondContact O-N 3.2Å
10	L	50.3	Low	51.7	Low	70 Å²	70	92.2 Å²	92.2	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-76.4	-40.2	175	-178.9	63.8	0	0	0	111.4	L6 G7 P8 R13 L14	L6-L10 HydrophobicContact CD2-CD2 3.39Å; G7-L10 PolarHBondContact O-N 3.14Å; P8-L10 VanDerWaalsContact C-N 3.35Å; P8-L10 PolarHBondContact O-N 3.23Å; L10-R13 PolarHBondContact O-N 2.99Å; L10-L14 HydrophobicContact CD1-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.12Å
11	V	54.6	Low	53.1	Low	20 Å²	20	91.4 Å²	91.4	12%	0.121	49%	0.49	C	S	.	.	H	α-helix	trans	-66.8	-45.7	178.6	179.3	0	0	0	0	109.7	P8 R13 L14 E15 L95	P8-V11 PolarHBondContact O-N 3.44Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.04Å; V11-L14 PolarHBondContact O-N 3.43Å; V11-L14 VanDerWaalsContact O-N 3.1Å; V11-E15 WeakPolarHBondContact O-CG 3.47Å; V11-E15 PolarHBondContact O-N 3.49Å; V11-L95 HydrophobicContact CG1-CD1 4.49Å; V11-L95 HydrophobicContact CG2-CD1 3.62Å
12	E	56.5	Low	55.4	Low	108 Å²	108	82.9 Å²	82.9	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-60.6	-41.1	176.8	-169.1	176.7	-174	0	0	112.2	P8 L14 E15 Q16	P8-E12 PolarHBondContact O-N 3.04Å; P8-E12 VanDerWaalsContact O-N 3.12Å; E12-L14 PolarHBondContact O-N 3.32Å; E12-E15 PolarHBondContact O-N 3.46Å; E12-Q16 VanDerWaalsContact O-CG 3.31Å; E12-Q16 WeakPolarHBondContact O-CG 3.34Å; E12-Q16 PolarHBondContact O-N 2.84Å
13	R	57	Low	58	Low	151 Å²	151	77.2 Å²	77.2	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-66	-35.8	174.3	-75.9	175.6	66.5	-120.1	-3.9	113	G9 L10 V11 L17	G9-R13 VanDerWaalsContact O-CB 3.32Å; G9-R13 WeakPolarHBondContact O-CB 3.47Å; G9-R13 WeakPolarHBondContact O-CD 3.34Å; G9-R13 WeakPolarHBondContact O-CG 3.37Å; G9-R13 PolarHBondContact O-N 3.2Å; L10-R13 PolarHBondContact O-N 2.99Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.04Å; R13-L17 VanDerWaalsContact O-CG 3.27Å; R13-L17 WeakPolarHBondContact O-CG 3.43Å; R13-L17 PolarHBondContact O-N 3.47Å
14	L	57	Low	60.1	Low	50 Å²	50	78.4 Å²	78.4	26%	0.262	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-35.5	175.4	-73.1	169.7	0	0	0	111.7	L10 V11 E12 L17 A18 L91	L10-L14 HydrophobicContact CD1-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.12Å; V11-L14 PolarHBondContact O-N 3.43Å; V11-L14 VanDerWaalsContact O-N 3.1Å; E12-L14 PolarHBondContact O-N 3.32Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-A18 VanDerWaalsContact O-CB 3.22Å; L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 3.01Å; L14-L91 HydrophobicContact CD1-CD1 4.41Å
15	E	62.2	Low	62	Low	56 Å²	56	73.4 Å²	73.4	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-43.3	174	-73.1	-176	141.5	0	0	111.9	V11 E12 L17 A18 T19 R92	V11-E15 WeakPolarHBondContact O-CG 3.47Å; V11-E15 PolarHBondContact O-N 3.49Å; E12-E15 PolarHBondContact O-N 3.46Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.96Å; E15-A18 PolarHBondContact O-N 2.98Å; E15-A18 VanDerWaalsContact O-N 3.08Å; E15-T19 PolarHBondContact O-N 2.75Å; E15-T19 PolarHBondContact O-OG1 2.86Å; E15-R92 WeakPolarHBondContact OE1-CD 3.44Å; E15-R92 IonicContact OE1-CZ 3.74Å; E15-R92 IonicContact OE1-NE 3.87Å; E15-R92 IonicContact OE1-NH1 2.92Å; E15-R92 PolarHBondContact OE1-NH1 3.12Å
16	Q	62.9	Low	63.8	Low	130 Å²	130	69 Å²	69	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-59.4	-40.1	175.1	-72.6	172.2	13.5	0	0	112	E12 A18	E12-Q16 VanDerWaalsContact O-CG 3.31Å; E12-Q16 WeakPolarHBondContact O-CG 3.34Å; E12-Q16 PolarHBondContact O-N 2.84Å; Q16-A18 VanDerWaalsContact C-N 3.31Å
17	L	64.8	Low	65.2	Low	111 Å²	111	63.1 Å²	63.1	58%	0.581	37%	0.372	S	S	*	.	H	α-helix	trans	-73.6	-22.4	176.9	-67.6	170.9	0	0	0	113.2	R13 L14 E15 L81	R13-L17 VanDerWaalsContact O-CG 3.27Å; R13-L17 WeakPolarHBondContact O-CG 3.43Å; R13-L17 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 2.97Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.96Å; L17-L81 WeakPolarHBondContact O-CD1 3.42Å
18	A	71.8	Confident	67	Low	4 Å²	4	69.1 Å²	69.1	3%	0.033	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.2	-178.8	0	0	0	0	0	113.9	L14 E15 Q16 P26 F27 V85	L14-A18 VanDerWaalsContact O-CB 3.22Å; L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 3.01Å; E15-A18 PolarHBondContact O-N 2.98Å; E15-A18 VanDerWaalsContact O-N 3.08Å; Q16-A18 VanDerWaalsContact C-N 3.31Å; A18-P26 CarbonylContact O-C 3.52Å; A18-P26 VanDerWaalsContact O-CA 3.29Å; A18-P26 WeakPolarHBondContact O-CA 3.5Å; A18-F27 VanDerWaalsContact C-CD2 3.48Å; A18-F27 VanDerWaalsContact O-CD2 3.23Å; A18-F27 WeakPolarHBondContact O-CD2 3.49Å; A18-F27 PolarHBondContact O-N 3.22Å; A18-V85 HydrophobicContact CB-CB 4.21Å; A18-V85 HydrophobicContact CB-CG2 3.61Å
19	T	76.6	Confident	68.3	Low	54 Å²	54	68.3 Å²	68.3	33%	0.331	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-100.4	129.7	-174.2	-59.1	0	0	0	0	112	E15 G24 G25 F27	E15-T19 PolarHBondContact O-N 2.75Å; E15-T19 PolarHBondContact O-OG1 2.86Å; T19-G24 VanDerWaalsContact CG2-C 3.44Å; T19-G24 VanDerWaalsContact CG2-O 3.3Å; T19-G24 WeakPolarHBondContact CG2-O 3.15Å; T19-G25 CarbonylContact C-O 3.56Å; T19-G25 WeakPolarHBondContact CA-O 3.25Å; T19-F27 VanDerWaalsContact C-CE2 3.4Å; T19-F27 WeakPolarHBondContact O-CE2 3.48Å; T19-F27 WeakPolarHBondContact O-CZ 3.49Å
20	C	80.5	Confident	69.8	Low	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.365	C	S	.	.			trans	-72.5	126.1	175	175.2	0	0	0	0	110.8	L22 C23 G24 G25 F27 C40	C20-L22 PolarHBondContact O-N 2.85Å; C20-L22 VanDerWaalsContact O-N 3.15Å; C20-C23 WeakPolarHBondContact CB-SG 3.23Å; C20-G24 WeakPolarHBondContact O-CA 3.48Å; C20-G24 PolarHBondContact O-N 3.45Å; C20-G25 WeakPolarHBondContact CB-O 2.96Å; C20-G25 PolarHBondContact N-O 3.47Å; C20-F27 VanDerWaalsContact CA-CE1 3.48Å; C20-F27 HydrophobicContact CB-CD1 3.68Å; C20-F27 HydrophobicContact CB-CE1 3.69Å; C20-F27 HydrophobicContact CB-CG 4.26Å; C20-F27 HydrophobicContact CB-CZ 4.27Å; C20-C40 WeakPolarHBondContact CB-SG 3.23Å
21	P	79.6	Confident	71	Confident	77 Å²	77	63.5 Å²	63.5	50%	0.5	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.2	-176.9	28.3	-36.2	0	0	0	113.9	F39	P21-F39 HydrophobicContact CG-CD1 3.75Å; P21-F39 HydrophobicContact CG-CE1 3.59Å
22	L	82.1	Confident	72.2	Confident	62 Å²	62	63.5 Å²	63.5	33%	0.325	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-37	-179.5	-67.4	175.2	0	0	0	113.7	C20 F39 C43 P64	C20-L22 PolarHBondContact O-N 2.85Å; C20-L22 VanDerWaalsContact O-N 3.15Å; L22-F39 HydrophobicContact CD1-CB 4.2Å; L22-F39 HydrophobicContact CD1-CD1 3.44Å; L22-F39 VanDerWaalsContact CD1-CD1 3.44Å; L22-F39 HydrophobicContact CD1-CE1 4.09Å; L22-F39 HydrophobicContact CD1-CG 4.06Å; L22-F39 HydrophobicContact CD2-CE1 4.48Å; L22-F39 HydrophobicContact CG-CD1 3.62Å; L22-F39 HydrophobicContact CG-CE1 4Å; L22-C43 HydrophobicContact CB-CB 3.79Å; L22-C43 HydrophobicContact CD1-CB 3.68Å; L22-C43 HydrophobicContact CG-CB 4.4Å; L22-P64 HydrophobicContact CD1-CG 4.38Å; L22-P64 HydrophobicContact CD2-CB 3.83Å; L22-P64 HydrophobicContact CD2-CG 4.37Å
23	C	83.6	Confident	73	Confident	72 Å²	72	58.6 Å²	58.6	49%	0.486	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-11.4	179.9	63.2	0	0	0	0	113.6	C20 G25	C20-C23 WeakPolarHBondContact CB-SG 3.23Å; C23-G25 PolarHBondContact O-N 3.21Å; C23-G25 VanDerWaalsContact O-N 3.12Å
24	G	78.2	Confident	73.6	Confident	60 Å²	60	55.4 Å²	55.4	62%	0.619	33%	0.331	S	S	*	.	S	Bend	trans	67.4	4.2	-175.9	0	0	0	0	0	114.3	T19 C20	T19-G24 VanDerWaalsContact CG2-C 3.44Å; T19-G24 VanDerWaalsContact CG2-O 3.3Å; T19-G24 WeakPolarHBondContact CG2-O 3.15Å; C20-G24 WeakPolarHBondContact O-CA 3.48Å; C20-G24 PolarHBondContact O-N 3.45Å
25	G	76.6	Confident	74.3	Confident	22 Å²	22	54.8 Å²	54.8	23%	0.227	33%	0.33	C	S	.	.	S	Bend	trans	-102.8	173.7	176	0	0	0	0	0	112.5	T19 C20 C23	T19-G25 CarbonylContact C-O 3.56Å; T19-G25 WeakPolarHBondContact CA-O 3.25Å; C20-G25 WeakPolarHBondContact CB-O 2.96Å; C20-G25 PolarHBondContact N-O 3.47Å; C23-G25 PolarHBondContact O-N 3.21Å; C23-G25 VanDerWaalsContact O-N 3.12Å
26	P	73.9	Confident	74.7	Confident	81 Å²	81	58.5 Å²	58.5	53%	0.526	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-57.5	148.8	175.3	25.6	-34	0	0	0	111.3	A18 E28 V85	A18-P26 CarbonylContact O-C 3.52Å; A18-P26 VanDerWaalsContact O-CA 3.29Å; A18-P26 WeakPolarHBondContact O-CA 3.5Å; P26-E28 PolarHBondContact O-N 2.93Å; P26-V85 HydrophobicContact CB-CG1 3.76Å
27	F	74	Confident	75.4	Confident	20 Å²	20	55.6 Å²	55.6	9%	0.088	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-62.6	124	178.3	-75.6	-77.3	0	0	0	112.5	A18 T19 C20 P30 S38 L81 V85	A18-F27 VanDerWaalsContact C-CD2 3.48Å; A18-F27 VanDerWaalsContact O-CD2 3.23Å; A18-F27 WeakPolarHBondContact O-CD2 3.49Å; A18-F27 PolarHBondContact O-N 3.22Å; T19-F27 VanDerWaalsContact C-CE2 3.4Å; T19-F27 WeakPolarHBondContact O-CE2 3.48Å; T19-F27 WeakPolarHBondContact O-CZ 3.49Å; C20-F27 VanDerWaalsContact CA-CE1 3.48Å; C20-F27 HydrophobicContact CB-CD1 3.68Å; C20-F27 HydrophobicContact CB-CE1 3.69Å; C20-F27 HydrophobicContact CB-CG 4.26Å; C20-F27 HydrophobicContact CB-CZ 4.27Å; F27-P30 HydrophobicContact CB-CB 3.92Å; F27-P30 HydrophobicContact CB-CG 4.22Å; F27-P30 HydrophobicContact CD1-CB 3.96Å; F27-P30 HydrophobicContact CG-CB 4.07Å; F27-S38 VanDerWaalsContact CE1-C 3.49Å; F27-S38 VanDerWaalsContact CE1-O 3.25Å; F27-S38 WeakPolarHBondContact CE1-O 3.16Å; F27-L81 HydrophobicContact CD1-CD2 4.29Å; F27-L81 HydrophobicContact CD2-CD1 4.08Å; F27-L81 HydrophobicContact CD2-CD2 3.57Å; F27-L81 HydrophobicContact CD2-CG 3.74Å; F27-L81 HydrophobicContact CE1-CD2 4.21Å; F27-L81 HydrophobicContact CE2-CD1 4.16Å; F27-L81 HydrophobicContact CE2-CD2 3.51Å; F27-L81 HydrophobicContact CE2-CG 4.06Å; F27-L81 HydrophobicContact CG-CD2 3.98Å; F27-L81 HydrophobicContact CG-CG 4.28Å; F27-L81 HydrophobicContact CZ-CD2 3.83Å; F27-V85 HydrophobicContact CB-CG2 3.83Å; F27-V85 HydrophobicContact CD2-CG2 4.16Å
28	E	75.3	Confident	76.1	Confident	151 Å²	151	51.1 Å²	51.1	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-109.8	119	169	-67.6	-175.3	165	0	0	109	P26 C40	P26-E28 PolarHBondContact O-N 2.93Å; E28-C40 PolarHBondContact N-SG 3.01Å; E28-C40 VanDerWaalsContact O-CA 3.25Å; E28-C40 WeakPolarHBondContact O-CA 3.4Å; E28-C40 WeakPolarHBondContact O-CB 3.32Å
29	D	70.9	Confident	76.6	Confident	98 Å²	98	51 Å²	51	52%	0.524	31%	0.31	S	S	.	.	S	Bend	trans	48.8	64.7	-174	-171.3	28.8	0	0	0	112.4	V31 R41	D29-V31 PolarHBondContact O-N 3.24Å; D29-R41 HydrophobicContact CB-CB 4.23Å; D29-R41 WeakPolarHBondContact O-CB 3.33Å; D29-R41 PolarHBondContact O-N 2.76Å; D29-R41 VanDerWaalsContact OD2-CB 3.23Å; D29-R41 WeakPolarHBondContact OD2-CB 3.37Å; D29-R41 WeakPolarHBondContact OD2-CD 3.25Å
30	P	78.3	Confident	76.8	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.032	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.9	-175.1	25.1	-32.4	0	0	0	111.5	F27 F39 N78 L81 A82	F27-P30 HydrophobicContact CB-CB 3.92Å; F27-P30 HydrophobicContact CB-CG 4.22Å; F27-P30 HydrophobicContact CD1-CB 3.96Å; F27-P30 HydrophobicContact CG-CB 4.07Å; P30-F39 CarbonylContact C-O 3.6Å; P30-F39 WeakPolarHBondContact CA-O 3.3Å; P30-N78 HydrophobicContact CB-CB 4.17Å; P30-N78 HydrophobicContact CG-CB 4.42Å; P30-N78 WeakPolarHBondContact CG-O 3.36Å; P30-N78 PolarHBondContact O-N 2.78Å; P30-L81 HydrophobicContact CB-CB 4.47Å; P30-L81 HydrophobicContact CB-CD2 4.05Å; P30-L81 HydrophobicContact CB-CG 4.42Å; P30-L81 HydrophobicContact CG-CB 4.34Å; P30-A82 HydrophobicContact CG-CB 3.75Å
31	V	75.5	Confident	76.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.5	172.3	-66.5	0	0	0	0	110.1	D29 S38 F39 R41 L44 L75 R76	D29-V31 PolarHBondContact O-N 3.24Å; V31-S38 CarbonylContact O-C 3.5Å; V31-S38 VanDerWaalsContact O-CA 3.25Å; V31-S38 WeakPolarHBondContact O-CA 3.4Å; V31-F39 WeakPolarHBondContact CG2-O 3.34Å; V31-F39 PolarHBondContact N-O 3.38Å; V31-F39 PolarHBondContact O-N 2.92Å; V31-R41 HydrophobicContact CG1-CB 3.92Å; V31-R41 HydrophobicContact CG1-CG 4.13Å; V31-L44 HydrophobicContact CG2-CB 4.43Å; V31-L44 HydrophobicContact CG2-CD2 3.64Å; V31-L75 HydrophobicContact CB-CB 4.27Å; V31-L75 HydrophobicContact CB-CD2 4.33Å; V31-L75 HydrophobicContact CG1-CB 4.27Å; V31-L75 HydrophobicContact CG2-CD2 4.17Å; V31-R76 CarbonylContact C-O 3.53Å; V31-R76 WeakPolarHBondContact CA-O 3.46Å
32	L	79.6	Confident	76.8	Confident	20 Å²	20	54.2 Å²	54.2	11%	0.105	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.5	176.8	-171.7	66.6	0	0	0	109.6	E36 S38 R76 N78	L32-E36 VanDerWaalsContact CD1-C 3.42Å; L32-E36 WeakPolarHBondContact CD1-O 3.4Å; L32-S38 WeakPolarHBondContact CD1-OG 3.29Å; L32-R76 HydrophobicContact CB-CB 4.41Å; L32-R76 PolarHBondContact N-O 3.38Å; L32-R76 PolarHBondContact O-N 3.29Å; L32-N78 HydrophobicContact CB-CB 4.16Å
33	L	72.8	Confident	76.8	Confident	6 Å²	6	52 Å²	52	3%	0.031	31%	0.311	C	S	.	.			trans	-82.6	163.2	168.5	-62.8	-171.6	0	0	0	111.1	C35 E36 H37 F39 L44 W48 C63 L75	L33-C35 PolarHBondContact O-N 2.87Å; L33-C35 VanDerWaalsContact O-N 3.16Å; L33-E36 WeakPolarHBondContact O-CA 3.41Å; L33-E36 PolarHBondContact O-N 2.78Å; L33-H37 PolarHBondContact N-O 3.42Å; L33-F39 HydrophobicContact CD1-CD2 4.06Å; L33-F39 HydrophobicContact CD1-CE2 3.59Å; L33-F39 HydrophobicContact CG-CD2 4.16Å; L33-F39 HydrophobicContact CG-CE2 4.05Å; L33-L44 HydrophobicContact CD2-CD2 3.83Å; L33-W48 HydrophobicContact CD1-CZ2 4.19Å; L33-W48 HydrophobicContact CD2-CH2 3.57Å; L33-W48 HydrophobicContact CD2-CZ2 3.84Å; L33-C63 HydrophobicContact CD1-CB 3.74Å; L33-L75 HydrophobicContact CD2-CD2 3.55Å
34	A	70.4	Confident	76.8	Confident	84 Å²	84	48.6 Å²	48.6	69%	0.694	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	175.5	0	0	0	0	0	113.5	E36	A34-E36 PolarHBondContact O-N 2.9Å
35	C	70.3	Confident	76.8	Confident	36 Å²	36	48.5 Å²	48.5	24%	0.243	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	17.5	171.7	63.5	0	0	0	0	113.1	L33 H37 C66 Q68	L33-C35 PolarHBondContact O-N 2.87Å; L33-C35 VanDerWaalsContact O-N 3.16Å; C35-H37 PolarHBondContact O-N 3.47Å; C35-H37 PolarHBondContact O-ND1 2.79Å; C35-H37 PolarHBondContact SG-ND1 3.15Å; C35-C66 VanDerWaalsContact SG-SG 3.69Å; C35-Q68 HydrophobicContact CB-CB 4.4Å
36	E	71.8	Confident	77.1	Confident	135 Å²	135	57.3 Å²	57.3	63%	0.631	31%	0.308	S	S	*	.	S	Bend	trans	60.8	13	178.2	-59.9	-65.1	120.2	0	0	115.8	L32 L33 A34	L32-E36 VanDerWaalsContact CD1-C 3.42Å; L32-E36 WeakPolarHBondContact CD1-O 3.4Å; L33-E36 WeakPolarHBondContact O-CA 3.41Å; L33-E36 PolarHBondContact O-N 2.78Å; A34-E36 PolarHBondContact O-N 2.9Å
37	H	76.8	Confident	77.4	Confident	68 Å²	68	56.8 Å²	56.8	32%	0.315	31%	0.306	S	S	.	.			trans	-87.7	136.8	174.9	-70.5	81.1	0	0	0	110.9	L33 C35 F39 C65	L33-H37 PolarHBondContact N-O 3.42Å; C35-H37 PolarHBondContact O-N 3.47Å; C35-H37 PolarHBondContact O-ND1 2.79Å; C35-H37 PolarHBondContact SG-ND1 3.15Å; H37-F39 HydrophobicContact CB-CE2 3.6Å; H37-F39 HydrophobicContact CB-CZ 3.88Å; H37-C65 WeakPolarHBondContact CD2-CB 3.35Å
38	S	79.4	Confident	77.7	Confident	18 Å²	18	57.5 Å²	57.5	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.9	-179.6	-61.5	0	0	0	0	112.2	F27 V31 L32 N78	F27-S38 VanDerWaalsContact CE1-C 3.49Å; F27-S38 VanDerWaalsContact CE1-O 3.25Å; F27-S38 WeakPolarHBondContact CE1-O 3.16Å; V31-S38 CarbonylContact O-C 3.5Å; V31-S38 VanDerWaalsContact O-CA 3.25Å; V31-S38 WeakPolarHBondContact O-CA 3.4Å; L32-S38 WeakPolarHBondContact CD1-OG 3.29Å; S38-N78 PolarHBondContact OG-ND2 3.08Å
39	F	81.6	Confident	77.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.6	-179.5	-57.5	-79.3	0	0	0	110.2	P21 L22 P30 V31 L33 H37 R41 L44 P64 C65	P21-F39 HydrophobicContact CG-CD1 3.75Å; P21-F39 HydrophobicContact CG-CE1 3.59Å; L22-F39 HydrophobicContact CD1-CB 4.2Å; L22-F39 HydrophobicContact CD1-CD1 3.44Å; L22-F39 VanDerWaalsContact CD1-CD1 3.44Å; L22-F39 HydrophobicContact CD1-CE1 4.09Å; L22-F39 HydrophobicContact CD1-CG 4.06Å; L22-F39 HydrophobicContact CD2-CE1 4.48Å; L22-F39 HydrophobicContact CG-CD1 3.62Å; L22-F39 HydrophobicContact CG-CE1 4Å; P30-F39 CarbonylContact C-O 3.6Å; P30-F39 WeakPolarHBondContact CA-O 3.3Å; V31-F39 WeakPolarHBondContact CG2-O 3.34Å; V31-F39 PolarHBondContact N-O 3.38Å; V31-F39 PolarHBondContact O-N 2.92Å; L33-F39 HydrophobicContact CD1-CD2 4.06Å; L33-F39 HydrophobicContact CD1-CE2 3.59Å; L33-F39 HydrophobicContact CG-CD2 4.16Å; L33-F39 HydrophobicContact CG-CE2 4.05Å; H37-F39 HydrophobicContact CB-CE2 3.6Å; H37-F39 HydrophobicContact CB-CZ 3.88Å; F39-R41 PolarHBondContact O-N 3.32Å; F39-L44 HydrophobicContact CB-CB 4.08Å; F39-L44 HydrophobicContact CB-CD1 4.49Å; F39-L44 HydrophobicContact CD2-CD1 4.04Å; F39-L44 HydrophobicContact CD2-CD2 4.49Å; F39-L44 HydrophobicContact CG-CD1 4.25Å; F39-P64 HydrophobicContact CE1-CB 4.25Å; F39-P64 HydrophobicContact CE1-CG 4.39Å; F39-P64 HydrophobicContact CZ-CB 4.36Å; F39-P64 HydrophobicContact CZ-CG 4.36Å; F39-C65 WeakPolarHBondContact CE1-SG 3.37Å; F39-C65 HydrophobicContact CZ-CB 4.07Å; F39-C65 WeakPolarHBondContact CZ-SG 3.49Å
40	C	81.3	Confident	77.2	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.2	164.1	-54.9	0	0	0	0	109.3	C20 E28 A42 C43 L44	C20-C40 WeakPolarHBondContact CB-SG 3.23Å; E28-C40 PolarHBondContact N-SG 3.01Å; E28-C40 VanDerWaalsContact O-CA 3.25Å; E28-C40 WeakPolarHBondContact O-CA 3.4Å; E28-C40 WeakPolarHBondContact O-CB 3.32Å; C40-A42 PolarHBondContact O-N 3.37Å; C40-C43 HydrophobicContact CB-CB 3.97Å; C40-C43 WeakPolarHBondContact O-CB 3.25Å; C40-C43 PolarHBondContact O-N 2.81Å; C40-L44 PolarHBondContact O-N 2.97Å
41	R	80.8	Confident	76.2	Confident	127 Å²	127	63.2 Å²	63.2	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-52.2	-43.6	179.5	-172.8	-179.9	-178.1	92.5	-1.2	112.4	D29 V31 F39 L44 A45	D29-R41 HydrophobicContact CB-CB 4.23Å; D29-R41 WeakPolarHBondContact O-CB 3.33Å; D29-R41 PolarHBondContact O-N 2.76Å; D29-R41 VanDerWaalsContact OD2-CB 3.23Å; D29-R41 WeakPolarHBondContact OD2-CB 3.37Å; D29-R41 WeakPolarHBondContact OD2-CD 3.25Å; V31-R41 HydrophobicContact CG1-CB 3.92Å; V31-R41 HydrophobicContact CG1-CG 4.13Å; F39-R41 PolarHBondContact O-N 3.32Å; R41-L44 PolarHBondContact O-N 3.08Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 3.35Å
42	A	79.3	Confident	75.3	Confident	69 Å²	69	65.6 Å²	65.6	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-66.5	-39.1	178.2	0	0	0	0	0	112.8	C40 A45 R46	C40-A42 PolarHBondContact O-N 3.37Å; A42-A45 PolarHBondContact O-N 2.71Å; A42-R46 WeakPolarHBondContact O-CG 3.18Å; A42-R46 PolarHBondContact O-N 3.4Å
43	C	83.1	Confident	74.3	Confident	15 Å²	15	68.2 Å²	68.2	10%	0.101	38%	0.383	C	S	.	.	H	α-helix	trans	-65.2	-44.4	178	-69.5	0	0	0	0	110.9	L22 C40 R46 C47	L22-C43 HydrophobicContact CB-CB 3.79Å; L22-C43 HydrophobicContact CD1-CB 3.68Å; L22-C43 HydrophobicContact CG-CB 4.4Å; C40-C43 HydrophobicContact CB-CB 3.97Å; C40-C43 WeakPolarHBondContact O-CB 3.25Å; C40-C43 PolarHBondContact O-N 2.81Å; C43-R46 PolarHBondContact O-N 2.93Å; C43-C47 PolarHBondContact O-N 2.89Å; C43-C47 PolarHBondContact O-SG 2.85Å
44	L	82.1	Confident	73	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-67.5	-39.9	178.5	-170.1	65.8	0	0	0	112.4	V31 L33 F39 C40 R41 R46 C47 W48 P64 L75	V31-L44 HydrophobicContact CG2-CB 4.43Å; V31-L44 HydrophobicContact CG2-CD2 3.64Å; L33-L44 HydrophobicContact CD2-CD2 3.83Å; F39-L44 HydrophobicContact CB-CB 4.08Å; F39-L44 HydrophobicContact CB-CD1 4.49Å; F39-L44 HydrophobicContact CD2-CD1 4.04Å; F39-L44 HydrophobicContact CD2-CD2 4.49Å; F39-L44 HydrophobicContact CG-CD1 4.25Å; C40-L44 PolarHBondContact O-N 2.97Å; R41-L44 PolarHBondContact O-N 3.08Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; L44-C47 PolarHBondContact O-N 3.49Å; L44-W48 HydrophobicContact CD1-CD2 4.07Å; L44-W48 HydrophobicContact CD1-CH2 4.31Å; L44-W48 HydrophobicContact CD1-CZ2 3.73Å; L44-W48 HydrophobicContact CD2-CE3 4.25Å; L44-W48 HydrophobicContact CD2-CH2 3.66Å; L44-W48 HydrophobicContact CD2-CZ2 3.95Å; L44-W48 HydrophobicContact CD2-CZ3 3.81Å; L44-W48 HydrophobicContact CG-CD2 3.93Å; L44-W48 HydrophobicContact CG-CE3 3.96Å; L44-W48 HydrophobicContact CG-CH2 4.06Å; L44-W48 HydrophobicContact CG-CZ2 3.97Å; L44-W48 HydrophobicContact CG-CZ3 4.04Å; L44-W48 PolarHBondContact O-N 2.89Å; L44-P64 HydrophobicContact CD1-CG 3.93Å; L44-L75 HydrophobicContact CD2-CD1 4.41Å; L44-L75 HydrophobicContact CD2-CD2 3.38Å
45	A	79.8	Confident	72.5	Confident	58 Å²	58	75 Å²	75	48%	0.479	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-37.2	175	0	0	0	0	0	112.4	R41 A42 G49	R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 3.35Å; A42-A45 PolarHBondContact O-N 2.71Å; A45-G49 PolarHBondContact O-N 3.19Å; A45-G49 VanDerWaalsContact O-N 3.14Å
46	R	82.3	Confident	71.9	Confident	207 Å²	207	77 Å²	77	78%	0.781	45%	0.451	S	S	*	.	H	α-helix	trans	-66.4	-42.2	173.1	-75.4	172.8	64.2	-154.3	-0.8	112.1	A42 C43 L44 G49	A42-R46 WeakPolarHBondContact O-CG 3.18Å; A42-R46 PolarHBondContact O-N 3.4Å; C43-R46 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; R46-G49 PolarHBondContact O-N 3.35Å
47	C	81	Confident	70.9	Confident	71 Å²	71	80.1 Å²	80.1	48%	0.48	47%	0.466	S	S	.	.	H	α-helix	trans	-65.5	-37.9	177.7	-73.9	0	0	0	0	113	C43 L44 P64	C43-C47 PolarHBondContact O-N 2.89Å; C43-C47 PolarHBondContact O-SG 2.85Å; L44-C47 PolarHBondContact O-N 3.49Å; C47-P64 HydrophobicContact CB-CG 4.2Å
48	W	79.6	Confident	70.1	Confident	35 Å²	35	79.9 Å²	79.9	13%	0.133	48%	0.476	C	S	.	.	H	α-helix	trans	-84.8	-8.5	-179.9	-68.2	-16.9	0	0	0	114.4	L33 L44 P61 S62 C70 R73 L75	L33-W48 HydrophobicContact CD1-CZ2 4.19Å; L33-W48 HydrophobicContact CD2-CH2 3.57Å; L33-W48 HydrophobicContact CD2-CZ2 3.84Å; L44-W48 HydrophobicContact CD1-CD2 4.07Å; L44-W48 HydrophobicContact CD1-CH2 4.31Å; L44-W48 HydrophobicContact CD1-CZ2 3.73Å; L44-W48 HydrophobicContact CD2-CE3 4.25Å; L44-W48 HydrophobicContact CD2-CH2 3.66Å; L44-W48 HydrophobicContact CD2-CZ2 3.95Å; L44-W48 HydrophobicContact CD2-CZ3 3.81Å; L44-W48 HydrophobicContact CG-CD2 3.93Å; L44-W48 HydrophobicContact CG-CE3 3.96Å; L44-W48 HydrophobicContact CG-CH2 4.06Å; L44-W48 HydrophobicContact CG-CZ2 3.97Å; L44-W48 HydrophobicContact CG-CZ3 4.04Å; L44-W48 PolarHBondContact O-N 2.89Å; W48-P61 HydrophobicContact CB-CB 4.35Å; W48-P61 HydrophobicContact CD2-CB 3.71Å; W48-P61 HydrophobicContact CD2-CG 4.42Å; W48-P61 HydrophobicContact CE3-CB 4.36Å; W48-P61 HydrophobicContact CG-CB 3.7Å; W48-P61 HydrophobicContact CZ2-CB 4.27Å; W48-S62 PolarHBondContact NE1-O 3.16Å; W48-C70 HydrophobicContact CH2-CB 4.42Å; W48-C70 HydrophobicContact CZ2-CB 4.21Å; W48-R73 HydrophobicContact CZ3-CG 4.45Å; W48-L75 HydrophobicContact CH2-CD2 3.64Å; W48-L75 HydrophobicContact CZ3-CD1 4.21Å; W48-L75 HydrophobicContact CZ3-CD2 3.67Å; W48-L75 HydrophobicContact CZ3-CG 4.17Å
49	G	71.1	Confident	69.3	Low	40 Å²	40	83.3 Å²	83.3	41%	0.412	51%	0.505	S	S	.	.			trans	62.8	-174.8	-179.5	0	0	0	0	0	114.2	A45 R46	A45-G49 PolarHBondContact O-N 3.19Å; A45-G49 VanDerWaalsContact O-N 3.14Å; R46-G49 PolarHBondContact O-N 3.35Å
50	R	63.9	Low	68.6	Low	243 Å²	243	86.9 Å²	86.9	92%	0.917	53%	0.528	S	S	*	.	S	Bend	trans	-68.8	139.3	173.4	-85.2	-177.8	174.3	-164.4	-1.8	109.9	A52	R50-A52 PolarHBondContact O-N 3.37Å
51	P	57.9	Low	68.3	Low	91 Å²	91	88 Å²	88	59%	0.591	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-57.7	134.9	171	25	-32	0	0	0	109.5
52	A	56.7	Low	68.4	Low	51 Å²	51	84.7 Å²	84.7	42%	0.421	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-60.6	149.7	175.1	0	0	0	0	0	110.3	R50 A58	R50-A52 PolarHBondContact O-N 3.37Å; A52-A58 HydrophobicContact CB-CB 3.73Å
53	A	57.8	Low	68.5	Low	75 Å²	75	81.5 Å²	81.5	62%	0.62	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-54.7	145.6	176.5	0	0	0	0	0	110.6	G55 S56	A53-G55 PolarHBondContact O-N 2.89Å; A53-S56 PolarHBondContact O-N 3.39Å
54	P	47	Very low	68.5	Low	142 Å²	142	83.4 Å²	83.4	92%	0.922	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	114.4	178.6	23	-31.1	0	0	0	109.5
55	G	58.2	Low	68.4	Low	89 Å²	89	86.5 Å²	86.5	92%	0.918	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.4	-5.6	-177.2	0	0	0	0	0	115.9	A53	A53-G55 PolarHBondContact O-N 2.89Å
56	S	57.7	Low	68.3	Low	78 Å²	78	86.2 Å²	86.2	55%	0.545	53%	0.532	S	S	.	.			trans	-99.6	128.3	173.1	170.2	0	0	0	0	111.2	A53 A58	A53-S56 PolarHBondContact O-N 3.39Å; S56-A58 PolarHBondContact O-N 3.2Å
57	E	52.3	Low	68.2	Low	202 Å²	202	78.6 Å²	78.6	94%	0.944	52%	0.518	S	S	*	.			trans	-69.8	71.6	170.7	-66.9	-165.7	149.2	0	0	110.9
58	A	59.3	Low	68	Low	63 Å²	63	80.8 Å²	80.8	52%	0.521	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-78.4	129.2	171.1	0	0	0	0	0	109.8	A52 S56	A52-A58 HydrophobicContact CB-CB 3.73Å; S56-A58 PolarHBondContact O-N 3.2Å
59	A	63.2	Low	67.7	Low	89 Å²	89	82.9 Å²	82.9	74%	0.736	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-53.6	141.9	174.9	0	0	0	0	0	111.1
60	P	66.5	Low	67.6	Low	76 Å²	76	81.7 Å²	81.7	49%	0.494	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.2	-178.9	25	-33.3	0	0	0	110.2	S62 P69	P60-S62 PolarHBondContact O-N 3.43Å; P60-P69 HydrophobicContact CG-CB 4.48Å
61	P	75.6	Confident	67.3	Low	27 Å²	27	75.3 Å²	75.3	18%	0.175	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-60.6	140.4	-179.9	24.8	-32.4	0	0	0	110.3	W48 C70 R73	W48-P61 HydrophobicContact CB-CB 4.35Å; W48-P61 HydrophobicContact CD2-CB 3.71Å; W48-P61 HydrophobicContact CD2-CG 4.42Å; W48-P61 HydrophobicContact CE3-CB 4.36Å; W48-P61 HydrophobicContact CG-CB 3.7Å; W48-P61 HydrophobicContact CZ2-CB 4.27Å; P61-C70 WeakPolarHBondContact O-CA 3.32Å; P61-C70 VanDerWaalsContact O-CB 3.3Å; P61-C70 WeakPolarHBondContact O-CB 3.45Å; P61-C70 PolarHBondContact O-N 2.93Å; P61-R73 HydrophobicContact CG-CG 4.27Å
62	S	81.9	Confident	67.1	Low	58 Å²	58	81.5 Å²	81.5	41%	0.406	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-109.2	156.9	179.1	58	0	0	0	0	112	W48 P60 P64 G67 Q68	W48-S62 PolarHBondContact NE1-O 3.16Å; P60-S62 PolarHBondContact O-N 3.43Å; S62-P64 WeakPolarHBondContact O-CD 3.37Å; S62-G67 WeakPolarHBondContact CB-O 3.3Å; S62-Q68 CarbonylContact C-O 3.5Å; S62-Q68 WeakPolarHBondContact CA-O 3.45Å
63	C	82.4	Confident	67.2	Low	2 Å²	2	84.4 Å²	84.4	1%	0.014	53%	0.526	C	S	.	.			trans	-65	126.3	173.9	175.6	0	0	0	0	110.4	L33 C65 C66 G67 Q68	L33-C63 HydrophobicContact CD1-CB 3.74Å; C63-C65 PolarHBondContact O-N 3.27Å; C63-C65 PolarHBondContact SG-N 3.46Å; C63-C65 VanDerWaalsContact SG-N 3.42Å; C63-C66 VanDerWaalsContact CB-SG 3.54Å; C63-C66 PolarHBondContact SG-SG 3.12Å; C63-G67 VanDerWaalsContact O-CA 3.3Å; C63-G67 WeakPolarHBondContact O-CA 3.44Å; C63-G67 PolarHBondContact O-N 3.44Å; C63-Q68 PolarHBondContact N-O 3.4Å
64	P	82.1	Confident	67	Low	54 Å²	54	84.2 Å²	84.2	35%	0.351	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	178.2	-25.7	35.9	0	0	0	115.2	L22 F39 L44 C47 S62	L22-P64 HydrophobicContact CD1-CG 4.38Å; L22-P64 HydrophobicContact CD2-CB 3.83Å; L22-P64 HydrophobicContact CD2-CG 4.37Å; F39-P64 HydrophobicContact CE1-CB 4.25Å; F39-P64 HydrophobicContact CE1-CG 4.39Å; F39-P64 HydrophobicContact CZ-CB 4.36Å; F39-P64 HydrophobicContact CZ-CG 4.36Å; L44-P64 HydrophobicContact CD1-CG 3.93Å; C47-P64 HydrophobicContact CB-CG 4.2Å; S62-P64 WeakPolarHBondContact O-CD 3.37Å
65	C	80.4	Confident	67.8	Low	65 Å²	65	79.8 Å²	79.8	44%	0.439	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-38.8	-179.6	-70.6	0	0	0	0	113.7	H37 F39 C63	H37-C65 WeakPolarHBondContact CD2-CB 3.35Å; F39-C65 WeakPolarHBondContact CE1-SG 3.37Å; F39-C65 HydrophobicContact CZ-CB 4.07Å; F39-C65 WeakPolarHBondContact CZ-SG 3.49Å; C63-C65 PolarHBondContact O-N 3.27Å; C63-C65 PolarHBondContact SG-N 3.46Å; C63-C65 VanDerWaalsContact SG-N 3.42Å
66	C	78.4	Confident	68.3	Low	53 Å²	53	83.8 Å²	83.8	36%	0.358	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-0.2	-170.8	67.4	0	0	0	0	114.5	C35 C63 Q68	C35-C66 VanDerWaalsContact SG-SG 3.69Å; C63-C66 VanDerWaalsContact CB-SG 3.54Å; C63-C66 PolarHBondContact SG-SG 3.12Å; C66-Q68 HydrophobicContact CB-CG 4.48Å; C66-Q68 PolarHBondContact O-N 2.91Å; C66-Q68 VanDerWaalsContact O-N 3.08Å; C66-Q68 VanDerWaalsContact SG-CG 3.58Å
67	G	79.3	Confident	68.7	Low	47 Å²	47	84 Å²	84	49%	0.485	48%	0.478	S	S	.	.			trans	70.3	-0.2	178.4	0	0	0	0	0	115.2	S62 C63	S62-G67 WeakPolarHBondContact CB-O 3.3Å; C63-G67 VanDerWaalsContact O-CA 3.3Å; C63-G67 WeakPolarHBondContact O-CA 3.44Å; C63-G67 PolarHBondContact O-N 3.44Å
68	Q	77.1	Confident	69.1	Low	116 Å²	116	75.9 Å²	75.9	54%	0.542	44%	0.441	S	S	.	.			trans	-64.5	131.9	-177.7	-70.6	-65.1	-64	0	0	111.7	C35 S62 C63 C66	C35-Q68 HydrophobicContact CB-CB 4.4Å; S62-Q68 CarbonylContact C-O 3.5Å; S62-Q68 WeakPolarHBondContact CA-O 3.45Å; C63-Q68 PolarHBondContact N-O 3.4Å; C66-Q68 HydrophobicContact CB-CG 4.48Å; C66-Q68 PolarHBondContact O-N 2.91Å; C66-Q68 VanDerWaalsContact O-N 3.08Å; C66-Q68 VanDerWaalsContact SG-CG 3.58Å
69	P	72.6	Confident	69	Low	80 Å²	80	76.8 Å²	76.8	52%	0.519	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-66.3	135.3	179.7	24.7	-30.8	0	0	0	111.1	P60 P71	P60-P69 HydrophobicContact CG-CB 4.48Å; P69-P71 VanDerWaalsContact C-CD 3.47Å; P69-P71 WeakPolarHBondContact O-CD 3.35Å
70	C	69.4	Low	68.9	Low	15 Å²	15	81.5 Å²	81.5	10%	0.101	44%	0.438	C	S	.	.			trans	-113.8	77.4	-178.8	-69	0	0	0	0	110.1	W48 P61 R72	W48-C70 HydrophobicContact CH2-CB 4.42Å; W48-C70 HydrophobicContact CZ2-CB 4.21Å; P61-C70 WeakPolarHBondContact O-CA 3.32Å; P61-C70 VanDerWaalsContact O-CB 3.3Å; P61-C70 WeakPolarHBondContact O-CB 3.45Å; P61-C70 PolarHBondContact O-N 2.93Å; C70-R72 PolarHBondContact O-N 2.98Å
71	P	57.8	Low	68.8	Low	108 Å²	108	78.6 Å²	78.6	70%	0.701	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.6	-165.5	24.1	-34.1	0	0	0	115.8	P69	P69-P71 VanDerWaalsContact C-CD 3.47Å; P69-P71 WeakPolarHBondContact O-CD 3.35Å
72	R	54.2	Low	67.6	Low	221 Å²	221	78 Å²	78	83%	0.834	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	6.4	-174.1	-79.8	-168.6	167.4	177.2	-2.6	116.8	C70 S74	C70-R72 PolarHBondContact O-N 2.98Å; R72-S74 PolarHBondContact O-N 3.41Å
73	R	57.2	Low	66.2	Low	112 Å²	112	78.4 Å²	78.4	42%	0.423	42%	0.416	S	S	.	.			trans	43.3	33.3	-171	-62.7	-178.3	178.5	-103.2	-2.2	111.8	W48 P61 L75	W48-R73 HydrophobicContact CZ3-CG 4.45Å; P61-R73 HydrophobicContact CG-CG 4.27Å; R73-L75 PolarHBondContact O-N 3.45Å
74	S	55	Low	65.2	Low	72 Å²	72	81.2 Å²	81.2	50%	0.503	43%	0.429	S	S	.	.			trans	-77.3	71.9	-176.5	63.9	0	0	0	0	108.7	R72 R76	R72-S74 PolarHBondContact O-N 3.41Å; S74-R76 PolarHBondContact O-N 3.24Å
75	L	63.9	Low	64.2	Low	48 Å²	48	79.3 Å²	79.3	25%	0.251	42%	0.416	S	S	.	.			trans	-75.1	112.9	177.9	-62.4	-179.5	0	0	0	108	V31 L33 L44 W48 R73	V31-L75 HydrophobicContact CB-CB 4.27Å; V31-L75 HydrophobicContact CB-CD2 4.33Å; V31-L75 HydrophobicContact CG1-CB 4.27Å; V31-L75 HydrophobicContact CG2-CD2 4.17Å; L33-L75 HydrophobicContact CD2-CD2 3.55Å; L44-L75 HydrophobicContact CD2-CD1 4.41Å; L44-L75 HydrophobicContact CD2-CD2 3.38Å; W48-L75 HydrophobicContact CH2-CD2 3.64Å; W48-L75 HydrophobicContact CZ3-CD1 4.21Å; W48-L75 HydrophobicContact CZ3-CD2 3.67Å; W48-L75 HydrophobicContact CZ3-CG 4.17Å; R73-L75 PolarHBondContact O-N 3.45Å
76	R	68.9	Low	63.3	Low	173 Å²	173	80.8 Å²	80.8	65%	0.653	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.5	171.2	-61.7	-177.4	69.4	-155.2	1.4	107.9	V31 L32 S74 N78	V31-R76 CarbonylContact C-O 3.53Å; V31-R76 WeakPolarHBondContact CA-O 3.46Å; L32-R76 HydrophobicContact CB-CB 4.41Å; L32-R76 PolarHBondContact N-O 3.38Å; L32-R76 PolarHBondContact O-N 3.29Å; S74-R76 PolarHBondContact O-N 3.24Å; R76-N78 PolarHBondContact O-N 3.02Å
77	S	64.6	Low	62.4	Low	83 Å²	83	82.7 Å²	82.7	58%	0.58	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.3	171.3	51.2	0	0	0	0	110.2	V79	S77-V79 PolarHBondContact O-N 3.36Å
78	N	61	Low	61.6	Low	31 Å²	31	80.8 Å²	80.8	17%	0.166	40%	0.397	C	S	.	.			trans	-92.1	75.9	175	-164	-22.1	0	0	0	110.6	P30 L32 S38 R76 R80 L81 A82	P30-N78 HydrophobicContact CB-CB 4.17Å; P30-N78 HydrophobicContact CG-CB 4.42Å; P30-N78 WeakPolarHBondContact CG-O 3.36Å; P30-N78 PolarHBondContact O-N 2.78Å; L32-N78 HydrophobicContact CB-CB 4.16Å; S38-N78 PolarHBondContact OG-ND2 3.08Å; R76-N78 PolarHBondContact O-N 3.02Å; N78-R80 PolarHBondContact O-N 3.48Å; N78-L81 HydrophobicContact CB-CB 4.03Å; N78-L81 VanDerWaalsContact CG-CB 3.45Å; N78-L81 PolarHBondContact O-N 3.09Å; N78-L81 WeakPolarHBondContact OD1-CB 3.34Å; N78-L81 PolarHBondContact OD1-N 2.91Å; N78-L81 VanDerWaalsContact OD1-N 3.14Å; N78-A82 PolarHBondContact O-N 2.92Å
79	V	57.1	Low	61.1	Low	83 Å²	83	82.2 Å²	82.2	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-34.6	-175.9	-177.9	0	0	0	0	111.8	S77 A82 V83	S77-V79 PolarHBondContact O-N 3.36Å; V79-A82 PolarHBondContact O-N 3.33Å; V79-V83 WeakPolarHBondContact O-CG2 3.35Å; V79-V83 PolarHBondContact O-N 3.14Å
80	R	60.5	Low	60.6	Low	188 Å²	188	79.6 Å²	79.6	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-60.5	-49.2	176	177.3	178.4	172.4	175.8	-0.1	111.2	N78 A82 V83 E84	N78-R80 PolarHBondContact O-N 3.48Å; R80-A82 VanDerWaalsContact C-N 3.3Å; R80-A82 PolarHBondContact O-N 3.49Å; R80-V83 WeakPolarHBondContact O-CB 3.49Å; R80-V83 PolarHBondContact O-N 3.38Å; R80-V83 VanDerWaalsContact O-N 3.14Å; R80-E84 WeakPolarHBondContact CG-OE1 3.23Å; R80-E84 IonicContact CZ-OE1 3.91Å; R80-E84 IonicContact NE-OE1 3.43Å; R80-E84 PolarHBondContact NE-OE1 3.29Å; R80-E84 IonicContact NH2-OE1 3.92Å; R80-E84 WeakPolarHBondContact O-CG 3.47Å; R80-E84 PolarHBondContact O-N 3.16Å
81	L	64.7	Low	60.2	Low	15 Å²	15	82 Å²	82	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-65.2	-36.4	179.3	-170.7	59.3	0	0	0	111.8	L17 F27 P30 N78 V83 E84 V85	L17-L81 WeakPolarHBondContact O-CD1 3.42Å; F27-L81 HydrophobicContact CD1-CD2 4.29Å; F27-L81 HydrophobicContact CD2-CD1 4.08Å; F27-L81 HydrophobicContact CD2-CD2 3.57Å; F27-L81 HydrophobicContact CD2-CG 3.74Å; F27-L81 HydrophobicContact CE1-CD2 4.21Å; F27-L81 HydrophobicContact CE2-CD1 4.16Å; F27-L81 HydrophobicContact CE2-CD2 3.51Å; F27-L81 HydrophobicContact CE2-CG 4.06Å; F27-L81 HydrophobicContact CG-CD2 3.98Å; F27-L81 HydrophobicContact CG-CG 4.28Å; F27-L81 HydrophobicContact CZ-CD2 3.83Å; P30-L81 HydrophobicContact CB-CB 4.47Å; P30-L81 HydrophobicContact CB-CD2 4.05Å; P30-L81 HydrophobicContact CB-CG 4.42Å; P30-L81 HydrophobicContact CG-CB 4.34Å; N78-L81 HydrophobicContact CB-CB 4.03Å; N78-L81 VanDerWaalsContact CG-CB 3.45Å; N78-L81 PolarHBondContact O-N 3.09Å; N78-L81 WeakPolarHBondContact OD1-CB 3.34Å; N78-L81 PolarHBondContact OD1-N 2.91Å; N78-L81 VanDerWaalsContact OD1-N 3.14Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.34Å; L81-E84 PolarHBondContact O-N 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.39Å; L81-V85 PolarHBondContact O-N 2.97Å
82	A	51.9	Low	60.6	Low	14 Å²	14	84.1 Å²	84.1	12%	0.116	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-34.7	173.8	0	0	0	0	0	112.9	P30 N78 V79 R80 R86	P30-A82 HydrophobicContact CG-CB 3.75Å; N78-A82 PolarHBondContact O-N 2.92Å; V79-A82 PolarHBondContact O-N 3.33Å; R80-A82 VanDerWaalsContact C-N 3.3Å; R80-A82 PolarHBondContact O-N 3.49Å; A82-R86 WeakPolarHBondContact O-CG 3.06Å; A82-R86 PolarHBondContact O-N 3.06Å
83	V	51	Low	61.2	Low	66 Å²	66	79 Å²	79	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-72	-44	174.4	171.6	0	0	0	0	110.8	V79 R80 L81 V85 R86 I87	V79-V83 WeakPolarHBondContact O-CG2 3.35Å; V79-V83 PolarHBondContact O-N 3.14Å; R80-V83 WeakPolarHBondContact O-CB 3.49Å; R80-V83 PolarHBondContact O-N 3.38Å; R80-V83 VanDerWaalsContact O-N 3.14Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.34Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 3.06Å; V83-R86 PolarHBondContact O-N 3.34Å; V83-R86 VanDerWaalsContact O-N 3.16Å; V83-I87 HydrophobicContact CG1-CD1 3.74Å; V83-I87 HydrophobicContact CG1-CG1 4.35Å; V83-I87 WeakPolarHBondContact O-CG1 3.22Å; V83-I87 PolarHBondContact O-N 3.24Å
84	E	62.9	Low	61.4	Low	62 Å²	62	81.1 Å²	81.1	29%	0.29	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-41.7	179	-72	172.6	-173.9	0	0	111.8	R80 L81 R86 I87 S88	R80-E84 WeakPolarHBondContact CG-OE1 3.23Å; R80-E84 IonicContact CZ-OE1 3.91Å; R80-E84 IonicContact NE-OE1 3.43Å; R80-E84 PolarHBondContact NE-OE1 3.29Å; R80-E84 IonicContact NH2-OE1 3.92Å; R80-E84 WeakPolarHBondContact O-CG 3.47Å; R80-E84 PolarHBondContact O-N 3.16Å; L81-E84 PolarHBondContact O-N 3.31Å; E84-R86 VanDerWaalsContact C-N 3.29Å; E84-R86 PolarHBondContact O-N 2.86Å; E84-I87 PolarHBondContact O-N 3.43Å; E84-S88 PolarHBondContact O-N 3.17Å; E84-S88 PolarHBondContact O-OG 3.14Å
85	V	60.6	Low	61.7	Low	13 Å²	13	83.5 Å²	83.5	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-61.8	-34.9	175.7	175.5	0	0	0	0	112.5	A18 P26 F27 L81 V83 S88 R89	A18-V85 HydrophobicContact CB-CB 4.21Å; A18-V85 HydrophobicContact CB-CG2 3.61Å; P26-V85 HydrophobicContact CB-CG1 3.76Å; F27-V85 HydrophobicContact CB-CG2 3.83Å; F27-V85 HydrophobicContact CD2-CG2 4.16Å; L81-V85 WeakPolarHBondContact O-CG2 3.39Å; L81-V85 PolarHBondContact O-N 2.97Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 3.06Å; V85-S88 WeakPolarHBondContact CA-OG 3.4Å; V85-S88 PolarHBondContact O-OG 3.27Å; V85-R89 WeakPolarHBondContact O-CB 3.31Å; V85-R89 PolarHBondContact O-N 3.03Å; V85-R89 VanDerWaalsContact O-N 3.09Å
86	R	60.8	Low	61.6	Low	97 Å²	97	84.8 Å²	84.8	37%	0.366	41%	0.412	S	S	.	.	H	α-helix	trans	-77.6	-37.5	178.4	-71.3	178.7	-168.4	160.1	-1.3	112.4	A82 V83 E84 R89 G90 M154	A82-R86 WeakPolarHBondContact O-CG 3.06Å; A82-R86 PolarHBondContact O-N 3.06Å; V83-R86 PolarHBondContact O-N 3.34Å; V83-R86 VanDerWaalsContact O-N 3.16Å; E84-R86 VanDerWaalsContact C-N 3.29Å; E84-R86 PolarHBondContact O-N 2.86Å; R86-R89 PolarHBondContact O-N 3.41Å; R86-G90 PolarHBondContact O-N 2.98Å; R86-M154 PolarHBondContact NH1-SD 2.99Å; R86-M154 PolarHBondContact NH2-SD 2.91Å; R86-M154 VanDerWaalsContact NH2-SD 3.38Å
87	I	60.1	Low	60.7	Low	92 Å²	92	83.5 Å²	83.5	47%	0.472	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-44.9	174.6	-67.2	169.9	0	0	0	109.5	V83 E84 R89 G90 L91	V83-I87 HydrophobicContact CG1-CD1 3.74Å; V83-I87 HydrophobicContact CG1-CG1 4.35Å; V83-I87 WeakPolarHBondContact O-CG1 3.22Å; V83-I87 PolarHBondContact O-N 3.24Å; E84-I87 PolarHBondContact O-N 3.43Å; I87-R89 PolarHBondContact O-N 3.39Å; I87-G90 PolarHBondContact O-N 3.49Å; I87-L91 HydrophobicContact CG2-CD1 3.84Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 WeakPolarHBondContact O-CB 3.45Å; I87-L91 VanDerWaalsContact O-CG 3.26Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 3.1Å
88	S	61.4	Low	60	Low	8 Å²	8	86 Å²	86	6%	0.056	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176.9	65	0	0	0	0	111.7	E84 V85 L91 R92	E84-S88 PolarHBondContact O-N 3.17Å; E84-S88 PolarHBondContact O-OG 3.14Å; V85-S88 WeakPolarHBondContact CA-OG 3.4Å; V85-S88 PolarHBondContact O-OG 3.27Å; S88-L91 PolarHBondContact O-N 3.27Å; S88-R92 WeakPolarHBondContact O-CB 3.31Å; S88-R92 PolarHBondContact O-N 3.46Å
89	R	66.9	Low	59.6	Low	146 Å²	146	88 Å²	88	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-61	-47.8	175.9	-169.5	176.6	72.1	-170.8	4.2	112.7	V85 R86 I87 L91 R92 E93	V85-R89 WeakPolarHBondContact O-CB 3.31Å; V85-R89 PolarHBondContact O-N 3.03Å; V85-R89 VanDerWaalsContact O-N 3.09Å; R86-R89 PolarHBondContact O-N 3.41Å; I87-R89 PolarHBondContact O-N 3.39Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-L91 PolarHBondContact O-N 3.46Å; R89-R92 WeakPolarHBondContact O-CB 3.27Å; R89-R92 PolarHBondContact O-N 3.18Å; R89-E93 WeakPolarHBondContact CG-OE1 3.47Å; R89-E93 IonicContact NE-OE1 2.75Å; R89-E93 WeakPolarHBondContact O-CG 3.39Å; R89-E93 PolarHBondContact O-N 3.07Å
90	G	63	Low	58.7	Low	24 Å²	24	89.1 Å²	89.1	25%	0.247	47%	0.474	C	S	.	.	H	α-helix	trans	-67.9	-31.8	179.5	0	0	0	0	0	113.7	R86 I87 K94	R86-G90 PolarHBondContact O-N 2.98Å; I87-G90 PolarHBondContact O-N 3.49Å; G90-K94 VanDerWaalsContact O-CG 3.31Å; G90-K94 WeakPolarHBondContact O-CG 3.27Å; G90-K94 PolarHBondContact O-N 3.44Å
91	L	60	Low	57.7	Low	67 Å²	67	91.3 Å²	91.3	35%	0.351	48%	0.482	S	S	.	.	H	α-helix	trans	-68.3	-41	172.2	-74.6	171.1	0	0	0	111.5	L14 I87 S88 R89 K94 L95	L14-L91 HydrophobicContact CD1-CD1 4.41Å; I87-L91 HydrophobicContact CG2-CD1 3.84Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 WeakPolarHBondContact O-CB 3.45Å; I87-L91 VanDerWaalsContact O-CG 3.26Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 3.1Å; S88-L91 PolarHBondContact O-N 3.27Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-L91 PolarHBondContact O-N 3.46Å; L91-K94 PolarHBondContact O-N 3.01Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CD1 3.39Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.15Å; L91-L95 PolarHBondContact O-N 3.29Å
92	R	66.4	Low	56.7	Low	152 Å²	152	97 Å²	97	57%	0.574	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-46.8	176.4	-179	-170.9	178.9	144.9	-9.5	111.8	E15 S88 R89 K94 L95 A96	E15-R92 WeakPolarHBondContact OE1-CD 3.44Å; E15-R92 IonicContact OE1-CZ 3.74Å; E15-R92 IonicContact OE1-NE 3.87Å; E15-R92 IonicContact OE1-NH1 2.92Å; E15-R92 PolarHBondContact OE1-NH1 3.12Å; S88-R92 WeakPolarHBondContact O-CB 3.31Å; S88-R92 PolarHBondContact O-N 3.46Å; R89-R92 WeakPolarHBondContact O-CB 3.27Å; R89-R92 PolarHBondContact O-N 3.18Å; R92-K94 VanDerWaalsContact C-N 3.32Å; R92-K94 PolarHBondContact O-N 3.18Å; R92-L95 PolarHBondContact O-N 3.47Å; R92-A96 WeakPolarHBondContact O-CB 3.26Å; R92-A96 PolarHBondContact O-N 3.45Å
93	E	68.1	Low	55.7	Low	112 Å²	112	100 Å²	100	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-58.3	-45.4	177.9	-72.6	163.7	-177.7	0	0	110.8	R89 L95 A96 E97	R89-E93 WeakPolarHBondContact CG-OE1 3.47Å; R89-E93 IonicContact NE-OE1 2.75Å; R89-E93 WeakPolarHBondContact O-CG 3.39Å; R89-E93 PolarHBondContact O-N 3.07Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.2Å; E93-A96 PolarHBondContact O-N 3.14Å; E93-E97 PolarHBondContact O-N 3.43Å
94	K	61.1	Low	54.8	Low	158 Å²	158	108.9 Å²	108.9	69%	0.687	58%	0.576	S	S	*	*	H	α-helix	trans	-66.1	-30.6	176.5	-74	-179.3	177.8	-173.2	0	114.5	G90 L91 R92	G90-K94 VanDerWaalsContact O-CG 3.31Å; G90-K94 WeakPolarHBondContact O-CG 3.27Å; G90-K94 PolarHBondContact O-N 3.44Å; L91-K94 PolarHBondContact O-N 3.01Å; R92-K94 VanDerWaalsContact C-N 3.32Å; R92-K94 PolarHBondContact O-N 3.18Å
95	L	60.4	Low	53.5	Low	121 Å²	121	116 Å²	116	63%	0.634	60%	0.601	S	S	*	*	H	α-helix	trans	-81.9	-19.1	176.4	-72.6	166.3	0	0	0	112.6	V11 L91 R92 E93	V11-L95 HydrophobicContact CG1-CD1 4.49Å; V11-L95 HydrophobicContact CG2-CD1 3.62Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CD1 3.39Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.15Å; L91-L95 PolarHBondContact O-N 3.29Å; R92-L95 PolarHBondContact O-N 3.47Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.2Å
96	A	61.9	Low	52.2	Low	75 Å²	75	127.3 Å²	127.3	62%	0.62	64%	0.642	S	S	*	*	H	α-helix	trans	-84.1	-10.2	176.3	0	0	0	0	0	113.3	R92 E93 P98	R92-A96 WeakPolarHBondContact O-CB 3.26Å; R92-A96 PolarHBondContact O-N 3.45Å; E93-A96 PolarHBondContact O-N 3.14Å; A96-P98 VanDerWaalsContact O-CD 3.3Å; A96-P98 WeakPolarHBondContact O-CD 3.48Å
97	E	51	Low	50.9	Low	146 Å²	146	126.8 Å²	126.8	68%	0.682	67%	0.666	S	S	*	*			trans	-75	116	175.8	-72.7	-170.5	165.1	0	0	112	E93 G99	E93-E97 PolarHBondContact O-N 3.43Å; E97-G99 PolarHBondContact O-N 3.12Å
98	P	48.3	Very low	49.3	Very low	136 Å²	136	125.9 Å²	125.9	88%	0.883	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	88.6	178.6	32	-30.5	0	0	0	110	A96	A96-P98 VanDerWaalsContact O-CD 3.3Å; A96-P98 WeakPolarHBondContact O-CD 3.48Å
99	G	53.5	Low	47.7	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.6	-11.9	179.4	0	0	0	0	0	121.1	E97 R101	E97-G99 PolarHBondContact O-N 3.12Å; G99-R101 PolarHBondContact O-N 3.22Å
100	A	37.5	Very low	46.1	Very low	107 Å²	107	137.9 Å²	137.9	88%	0.884	73%	0.734	S	S	*	*			trans	-105.6	75.2	-172.3	0	0	0	0	0	113.7
101	R	40.5	Very low	44.5	Very low	234 Å²	234	142.5 Å²	142.5	88%	0.883	76%	0.76	S	S	*	*			trans	-89.9	124.4	165.4	-86.3	-175.8	170.8	172.6	-1.4	112	G99	G99-R101 PolarHBondContact O-N 3.22Å
102	T	43.7	Very low	43.1	Very low	133 Å²	133	145.2 Å²	145.2	82%	0.816	78%	0.779	S	S	*	*			trans	60.2	94.3	144.3	63.6	0	0	0	0	119.4
103	G	31.4	Very low	41.5	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	79%	0.79	S	S	*	*			trans	-115.2	112.5	155.4	0	0	0	0	0	110.6
104	R	32.4	Very low	39.4	Very low	252 Å²	252	144.1 Å²	144.1	95%	0.951	80%	0.803	S	S	*	*			trans	-58.6	134.9	-177.6	-76.4	179.3	173.2	-157.1	-1.8	112.6
105	R	35.4	Very low	38.3	Very low	211 Å²	211	141.9 Å²	141.9	80%	0.796	81%	0.806	S	S	*	*			trans	-66.6	139.9	166.8	-63.9	179	-175.3	-114.9	-4.2	110.5
106	R	32.3	Very low	36.7	Very low	252 Å²	252	143.9 Å²	143.9	95%	0.951	82%	0.817	S	S	*	*			trans	-106	122.8	149.7	-83.2	-173.6	176	-176.5	-0.2	107.8
107	G	32.8	Very low	35.3	Very low	85 Å²	85	148 Å²	148	88%	0.876	83%	0.828	S	S	*	*			trans	-74.5	147.1	-171	0	0	0	0	0	114
108	G	26.5	Very low	34.6	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	83%	0.831	S	S	*	*			trans	-130.3	130.3	158.5	0	0	0	0	0	107.5
109	R	29.8	Very low	33.6	Very low	249 Å²	249	149.1 Å²	149.1	94%	0.94	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-59	142.7	-170.8	-72.1	174.1	176.3	-177	-2.3	112.7
110	I	33.3	Very low	33	Very low	157 Å²	157	149.2 Å²	149.2	81%	0.805	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-93.4	120.8	162.6	-57.1	168.6	0	0	0	107.1
111	P	28.1	Very low	32.6	Very low	121 Å²	121	153 Å²	153	79%	0.786	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-90.6	123.5	160	-5.9	24.9	0	0	0	110.1
112	T	31.1	Very low	32.5	Very low	124 Å²	124	147.7 Å²	147.7	76%	0.761	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.7	143.4	169.7	11	0	0	0	0	112.3
113	M	32.3	Very low	31.9	Very low	165 Å²	165	148.8 Å²	148.8	81%	0.813	82%	0.818	S	S	*	*			trans	55.8	130.4	149.8	-65.4	-64.6	-74.8	0	0	121
114	G	25	Very low	32.4	Very low	76 Å²	76	153.8 Å²	153.8	78%	0.784	81%	0.813	S	S	*	*			trans	-169.8	89.6	158.9	0	0	0	0	0	110.4	L116	G114-L116 PolarHBondContact O-N 2.99Å
115	C	36.3	Very low	32.5	Very low	112 Å²	112	150.3 Å²	150.3	76%	0.757	80%	0.804	S	S	*	*			trans	-68.6	117	163.5	-58.9	0	0	0	0	108.3
116	L	27.3	Very low	32.3	Very low	163 Å²	163	146 Å²	146	85%	0.853	80%	0.801	S	S	*	*			trans	-149.9	108.8	155.6	-74.4	175.6	0	0	0	107.4	G114	G114-L116 PolarHBondContact O-N 2.99Å
117	D	32.5	Very low	32.5	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	79%	0.786	S	S	*	*			trans	-67.2	138.1	147.6	-73.8	-43.2	0	0	0	106.8
118	P	36.6	Very low	32.5	Very low	113 Å²	113	149.6 Å²	149.6	73%	0.734	79%	0.789	S	S	*	*				-146.1	148.5	96.2	32.4	-13.5	0	0	0	115.6
119	H	28.4	Very low	32.7	Very low	192 Å²	192	156.5 Å²	156.5	89%	0.889	79%	0.792	S	S	*	*			trans	35.9	112.8	146.4	-89	-75.7	0	0	0	120.8
120	G	39.8	Very low	32.6	Very low	74 Å²	74	154 Å²	154	76%	0.763	79%	0.789	S	S	*	*				79.1	68.2	122.7	0	0	0	0	0	117.6
121	E	28.1	Very low	32.3	Very low	188 Å²	188	152.4 Å²	152.4	88%	0.879	78%	0.782	S	S	*	*			trans	-138.9	146.9	159.3	-69.1	-169.6	146.8	0	0	111.2	M123	E121-M123 PolarHBondContact O-N 2.93Å
122	D	39.3	Very low	32.4	Very low	122 Å²	122	152.6 Å²	152.6	65%	0.652	78%	0.78	S	S	*	*			trans	-58.9	114.1	-164.4	-166.7	4	0	0	0	114.1	R124	D122-R124 PolarHBondContact O-N 3.39Å
123	M	31.6	Very low	32.2	Very low	155 Å²	155	152.2 Å²	152.2	76%	0.764	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	18.1	-160.5	-143.5	155.8	63.5	0	0	114.5	E121	E121-M123 PolarHBondContact O-N 2.93Å
124	R	41.5	Very low	31.9	Very low	184 Å²	184	150.4 Å²	150.4	69%	0.694	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1.6	-177.6	-74	-178.5	167.4	-121.7	-2.4	115	D122	D122-R124 PolarHBondContact O-N 3.39Å
125	K	35	Very low	32.1	Very low	179 Å²	179	152.6 Å²	152.6	78%	0.778	78%	0.779	S	S	*	*	S	Bend	trans	-117.6	11	-164.5	-71.7	-178.8	179.6	172.2	0	117
126	T	30.8	Very low	31.6	Very low	119 Å²	119	157.3 Å²	157.3	73%	0.73	79%	0.786	S	S	*	*			trans	-126	81.7	-175.1	48.1	0	0	0	0	113.3
127	W	36.6	Very low	31.7	Very low	166 Å²	166	154.7 Å²	154.7	63%	0.629	78%	0.782	S	S	*	*			trans	-104.1	127.2	165.4	-58.8	107.4	0	0	0	109.7	Q323 A324 P325	W127-Q323 WeakPolarHBondContact CZ3-O 3.38Å; W127-A324 HydrophobicContact CH2-CB 4.25Å; W127-P325 HydrophobicContact CH2-CG 4.27Å; W127-P325 HydrophobicContact CZ3-CG 4.41Å
128	R	32.6	Very low	31.7	Very low	247 Å²	247	151.8 Å²	151.8	93%	0.932	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-97.6	130.7	176.9	-68.1	-156.2	-165.8	-101.6	4.5	111.6
129	R	30.4	Very low	31.3	Very low	218 Å²	218	154 Å²	154	82%	0.823	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.8	136.7	168	179.4	179.6	174.7	132.9	1.2	110.4	D131	R129-D131 IonicContact CZ-OD1 2.82Å; R129-D131 IonicContact NE-OD1 3.11Å; R129-D131 PolarHBondContact NE-OD1 2.92Å; R129-D131 IonicContact NH2-OD1 2.75Å
130	F	27.8	Very low	31.3	Very low	198 Å²	198	150.5 Å²	150.5	87%	0.868	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-98.5	131.2	156	-100.4	-88	0	0	0	107.8
131	D	27.3	Very low	31.2	Very low	123 Å²	123	150.9 Å²	150.9	66%	0.658	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73	131.5	174.5	-73.1	-46.3	0	0	0	110.7	R129	R129-D131 IonicContact CZ-OD1 2.82Å; R129-D131 IonicContact NE-OD1 3.11Å; R129-D131 PolarHBondContact NE-OD1 2.92Å; R129-D131 IonicContact NH2-OD1 2.75Å
132	V	29	Very low	31.2	Very low	124 Å²	124	150.6 Å²	150.6	75%	0.752	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.1	126.8	173.6	176.1	0	0	0	0	108.5	T134	V132-T134 PolarHBondContact O-N 2.69Å
133	P	27.2	Very low	30.9	Very low	117 Å²	117	153.9 Å²	153.9	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.3	123.7	167	-20.2	31.9	0	0	0	109.1
134	T	27.3	Very low	30.9	Very low	126 Å²	126	154.1 Å²	154.1	77%	0.773	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-59.9	132.9	179.6	33.8	0	0	0	0	111	V132 K136	V132-T134 PolarHBondContact O-N 2.69Å; T134-K136 PolarHBondContact O-N 3.1Å
135	P	29	Very low	30.5	Very low	123 Å²	123	150.7 Å²	150.7	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69	126.9	175.9	26.6	-31	0	0	0	109.5
136	K	25.9	Very low	30.7	Very low	210 Å²	210	151.7 Å²	151.7	91%	0.913	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.2	133.2	170	-71.5	-178.9	178.8	176.8	0	109.1	T134	T134-K136 PolarHBondContact O-N 3.1Å
137	S	28.2	Very low	31.1	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.4	131.7	180	52.4	0	0	0	0	113.2
138	S	33.1	Very low	31	Very low	101 Å²	101	153.3 Å²	153.3	71%	0.706	81%	0.807	S	S	*	*			trans	50.9	123.9	144.9	64.7	0	0	0	0	122.4
139	N	28.5	Very low	31.2	Very low	160 Å²	160	145 Å²	145	86%	0.856	79%	0.786	S	S	*	*			trans	78.6	106.1	143.2	-75.1	3.3	0	0	0	120.3
140	S	27.6	Very low	31.7	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	77%	0.771	S	S	*	*				-160.6	152.9	92.1	42.8	0	0	0	0	108.8	E142	S140-E142 PolarHBondContact O-N 2.76Å
141	G	39.3	Very low	32.2	Very low	82 Å²	82	131.6 Å²	131.6	85%	0.845	74%	0.744	S	S	*	*			trans	-63	129.5	-166.8	0	0	0	0	0	113.9
142	E	28.2	Very low	32.5	Very low	183 Å²	183	131.8 Å²	131.8	86%	0.855	74%	0.739	S	S	*	*			trans	-128.6	108	151.5	-72.2	-170.3	143.1	0	0	105.5	S140 L144	S140-E142 PolarHBondContact O-N 2.76Å; E142-L144 PolarHBondContact O-N 3.26Å; E142-L144 VanDerWaalsContact O-N 3.12Å
143	E	32.4	Very low	32.7	Very low	191 Å²	191	129.9 Å²	129.9	89%	0.893	72%	0.724	S	S	*	*			trans	-53.8	115.5	165.6	-86.7	169.4	140.9	0	0	107.9	P145	E143-P145 WeakPolarHBondContact O-CD 3.45Å
144	L	32	Very low	33	Very low	160 Å²	160	128.3 Å²	128.3	84%	0.838	71%	0.708	S	S	*	*			trans	-62.7	125.5	169	-77.3	161.5	0	0	0	108	E142 E146	E142-L144 PolarHBondContact O-N 3.26Å; E142-L144 VanDerWaalsContact O-N 3.12Å; L144-E146 PolarHBondContact O-N 3.3Å
145	P	33.4	Very low	33.5	Very low	112 Å²	112	124.7 Å²	124.7	73%	0.727	68%	0.683	S	S	*	*			trans	-60.6	131.7	178.5	-22.2	32.4	0	0	0	111	E143 D147	E143-P145 WeakPolarHBondContact O-CD 3.45Å; P145-D147 PolarHBondContact O-N 2.99Å
146	E	38	Very low	33.9	Very low	199 Å²	199	119.9 Å²	119.9	93%	0.93	65%	0.65	S	S	*	*	S	Bend	trans	-62.5	6.5	-176.7	-75.9	-171.1	135.8	0	0	115.8	L144	L144-E146 PolarHBondContact O-N 3.3Å
147	D	39.6	Very low	34.5	Very low	138 Å²	138	119.4 Å²	119.4	74%	0.738	64%	0.643	S	S	*	*			trans	-110.4	76.6	-176.1	-75	-40	0	0	0	112.7	P145 P149	P145-D147 PolarHBondContact O-N 2.99Å; D147-P149 WeakPolarHBondContact O-CD 3.27Å
148	Y	33.8	Very low	35.3	Very low	181 Å²	181	119.9 Å²	119.9	71%	0.71	64%	0.636	S	S	*	*			trans	-112.4	47.2	163	-115.8	-111.7	0	0	0	114.9	V150 V151	Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.43Å; Y148-V151 HydrophobicContact CD1-CB 3.73Å; Y148-V151 HydrophobicContact CD1-CG2 3.54Å; Y148-V151 HydrophobicContact CE1-CB 4.01Å; Y148-V151 HydrophobicContact CE1-CG2 3.35Å
149	P	38.2	Very low	36.1	Very low	73 Å²	73	116.3 Å²	116.3	47%	0.474	61%	0.61	S	S	.	*	H	α-helix	trans	-73.4	-18.2	-179.3	28.7	-33.8	0	0	0	114.3	D147 N153	D147-P149 WeakPolarHBondContact O-CD 3.27Å; P149-N153 WeakPolarHBondContact O-CB 3.32Å; P149-N153 PolarHBondContact O-N 2.92Å
150	V	39.5	Very low	37.2	Very low	87 Å²	87	110.9 Å²	110.9	53%	0.527	59%	0.588	S	S	.	*	H	α-helix	trans	-82.4	-31	-174.2	-177.7	0	0	0	0	112.9	Y148 M154	Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.43Å; V150-M154 PolarHBondContact O-N 3.37Å; V150-M154 VanDerWaalsContact O-N 3.12Å
151	V	39.1	Very low	39.2	Very low	47 Å²	47	109.6 Å²	109.6	29%	0.285	57%	0.572	S	S	.	*	H	α-helix	trans	-77.7	-37	176.7	176.1	0	0	0	0	111.2	Y148 N153 M154 L155 L316	Y148-V151 HydrophobicContact CD1-CB 3.73Å; Y148-V151 HydrophobicContact CD1-CG2 3.54Å; Y148-V151 HydrophobicContact CE1-CB 4.01Å; Y148-V151 HydrophobicContact CE1-CG2 3.35Å; V151-N153 VanDerWaalsContact C-N 3.33Å; V151-N153 PolarHBondContact O-N 2.98Å; V151-M154 PolarHBondContact O-N 3.34Å; V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 PolarHBondContact O-N 3.12Å; V151-L155 VanDerWaalsContact O-N 3.12Å; V151-L316 HydrophobicContact CG1-CD1 4.17Å
152	K	34	Very low	41.3	Very low	127 Å²	127	105.9 Å²	105.9	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-57.6	-46.5	171.7	-149.7	174.9	-177.8	-173.7	0	110.8	M154 L155 H156	K152-M154 PolarHBondContact O-N 2.94Å; K152-L155 PolarHBondContact O-N 2.94Å; K152-H156 WeakPolarHBondContact O-CB 3.49Å; K152-H156 PolarHBondContact O-N 3.5Å; K152-H156 VanDerWaalsContact O-N 3.14Å; K152-H156 PolarHBondContact O-ND1 2.75Å
153	N	33.3	Very low	44.3	Very low	84 Å²	84	98.6 Å²	98.6	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-70.2	-26	176.4	-98.5	-45.5	0	0	0	115.4	P149 V151 R157	P149-N153 WeakPolarHBondContact O-CB 3.32Å; P149-N153 PolarHBondContact O-N 2.92Å; V151-N153 VanDerWaalsContact C-N 3.33Å; V151-N153 PolarHBondContact O-N 2.98Å; N153-R157 WeakPolarHBondContact O-CD 3.11Å; N153-R157 VanDerWaalsContact O-CG 3.23Å; N153-R157 WeakPolarHBondContact O-CG 3.39Å
154	M	32.5	Very low	47.3	Very low	85 Å²	85	89.5 Å²	89.5	42%	0.419	46%	0.458	S	S	.	.	H	α-helix	trans	-81.6	-25.6	177.6	-107.4	-177	-172.3	0	0	113.7	R86 V150 V151 K152	R86-M154 PolarHBondContact NH1-SD 2.99Å; R86-M154 PolarHBondContact NH2-SD 2.91Å; R86-M154 VanDerWaalsContact NH2-SD 3.38Å; V150-M154 PolarHBondContact O-N 3.37Å; V150-M154 VanDerWaalsContact O-N 3.12Å; V151-M154 PolarHBondContact O-N 3.34Å; K152-M154 PolarHBondContact O-N 2.94Å
155	L	38.8	Very low	50.2	Low	49 Å²	49	82.9 Å²	82.9	26%	0.257	42%	0.423	S	S	.	.	H	α-helix	trans	-90.7	-19	177.3	-77.5	162.9	0	0	0	113	V151 K152 C217 R298 L316	V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 PolarHBondContact O-N 3.12Å; V151-L155 VanDerWaalsContact O-N 3.12Å; K152-L155 PolarHBondContact O-N 2.94Å; L155-C217 PolarHBondContact O-SG 3.49Å; L155-R298 VanDerWaalsContact CD2-CZ 3.5Å; L155-L316 HydrophobicContact CD1-CD1 3.72Å; L155-L316 HydrophobicContact CD1-CD2 4.4Å
156	H	36.4	Very low	53.1	Low	22 Å²	22	80.3 Å²	80.3	10%	0.102	41%	0.406	C	S	.	.	S	Bend	trans	-85.8	-11.1	175.4	-67.2	3.1	0	0	0	113.7	K152 L158 T159 E219 E351	K152-H156 WeakPolarHBondContact O-CB 3.49Å; K152-H156 PolarHBondContact O-N 3.5Å; K152-H156 VanDerWaalsContact O-N 3.14Å; K152-H156 PolarHBondContact O-ND1 2.75Å; H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 2.7Å; H156-T159 PolarHBondContact O-OG1 3.23Å; H156-E219 IonicContact CE1-OE1 3.86Å; H156-E351 IonicContact CD2-OE2 3.4Å
157	R	39.8	Very low	55.8	Low	201 Å²	201	78.9 Å²	78.9	76%	0.758	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	6.4	-172.5	-83.5	178.2	165.9	-164.9	-4.4	116.3	N153	N153-R157 WeakPolarHBondContact O-CD 3.11Å; N153-R157 VanDerWaalsContact O-CG 3.23Å; N153-R157 WeakPolarHBondContact O-CG 3.39Å
158	L	43.7	Very low	58.4	Low	119 Å²	119	72.9 Å²	72.9	62%	0.623	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	14	171.7	-74	169.4	0	0	0	112.5	H156 A160	H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 2.7Å; L158-A160 PolarHBondContact O-N 2.85Å
159	T	49.5	Very low	61.3	Low	25 Å²	25	64.4 Å²	64.4	15%	0.153	33%	0.328	C	S	.	.			trans	-70.4	91.8	163.1	30.8	0	0	0	0	106.8	H156 D161 C217 G350	H156-T159 PolarHBondContact O-OG1 3.23Å; T159-D161 PolarHBondContact O-N 3.27Å; T159-C217 VanDerWaalsContact CG2-O 3.27Å; T159-C217 WeakPolarHBondContact CG2-O 3.38Å; T159-G350 WeakPolarHBondContact OG1-CA 3.24Å
160	A	51.4	Low	64	Low	47 Å²	47	62.3 Å²	62.3	39%	0.388	31%	0.312	S	S	.	.			trans	-47.4	143.8	160.6	0	0	0	0	0	107.7	L158 L162	L158-A160 PolarHBondContact O-N 2.85Å; A160-L162 HydrophobicContact CB-CD2 4.2Å; A160-L162 HydrophobicContact CB-CG 4.44Å; A160-L162 WeakPolarHBondContact O-CG 3.43Å; A160-L162 PolarHBondContact O-N 2.8Å
161	D	69.9	Low	66.4	Low	90 Å²	90	62.2 Å²	62.2	48%	0.481	30%	0.302	S	S	.	.			trans	-64.7	93.8	172.1	-173.7	15.3	0	0	0	108.4	T159 R180 Q209	T159-D161 PolarHBondContact O-N 3.27Å; D161-R180 IonicContact OD1-CZ 3.75Å; D161-R180 VanDerWaalsContact OD1-CZ 3.3Å; D161-R180 IonicContact OD1-NE 2.92Å; D161-R180 PolarHBondContact OD1-NE 3.22Å; D161-R180 VanDerWaalsContact OD1-NE 3.1Å; D161-R180 IonicContact OD1-NH2 3.3Å; D161-R180 PolarHBondContact OD1-NH2 3.33Å; D161-R180 IonicContact OD2-NH2 3.83Å; D161-R180 PolarHBondContact OD2-NH2 2.67Å; D161-Q209 PolarHBondContact O-NE2 2.99Å
162	L	84.8	Confident	68.8	Low	4 Å²	4	61 Å²	61	2%	0.021	30%	0.3	C	S	.	.			trans	-86.3	132.7	-173.5	-72.7	-179.1	0	0	0	110	A160 Q209 F211 W218 P334 I347	A160-L162 HydrophobicContact CB-CD2 4.2Å; A160-L162 HydrophobicContact CB-CG 4.44Å; A160-L162 WeakPolarHBondContact O-CG 3.43Å; A160-L162 PolarHBondContact O-N 2.8Å; L162-Q209 HydrophobicContact CD2-CB 3.67Å; L162-Q209 HydrophobicContact CD2-CG 4.06Å; L162-F211 HydrophobicContact CD1-CZ 4.33Å; L162-F211 HydrophobicContact CD2-CE2 4.44Å; L162-F211 HydrophobicContact CD2-CZ 3.8Å; L162-W218 HydrophobicContact CD1-CB 3.4Å; L162-W218 HydrophobicContact CD1-CD2 4.21Å; L162-W218 HydrophobicContact CD1-CE3 4.29Å; L162-W218 HydrophobicContact CD1-CG 3.89Å; L162-P334 HydrophobicContact CD1-CG 3.96Å; L162-I347 HydrophobicContact CB-CD1 4.35Å; L162-I347 HydrophobicContact CB-CG2 4.02Å
163	T	91.4	Very high	71.5	Confident	29 Å²	29	55.7 Å²	55.7	18%	0.178	28%	0.277	C	S	.	.			trans	-127.9	154.6	177.8	57	0	0	0	0	109.1	N179 G207 A208 Q209	T163-N179 CarbonylContact C-O 3.6Å; T163-N179 VanDerWaalsContact CA-O 3.27Å; T163-N179 WeakPolarHBondContact CA-O 3.13Å; T163-N179 HydrophobicContact CG2-CB 4.26Å; T163-G207 CarbonylContact O-C 3.58Å; T163-G207 VanDerWaalsContact O-CA 3.27Å; T163-G207 WeakPolarHBondContact O-CA 3.38Å; T163-A208 PolarHBondContact O-N 3.19Å; T163-Q209 PolarHBondContact O-OE1 2.8Å; T163-Q209 PolarHBondContact OG1-NE2 3.43Å
164	L	93.6	Very high	74.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-80.5	147.7	172.7	-59.3	175.5	0	0	0	109.8	P166 I175 N179 V182 V205 L206 L336 I347	L164-P166 WeakPolarHBondContact O-CD 3.38Å; L164-I175 HydrophobicContact CB-CD1 4.37Å; L164-I175 HydrophobicContact CB-CG2 4.24Å; L164-I175 HydrophobicContact CD1-CD1 4.03Å; L164-N179 PolarHBondContact N-O 2.75Å; L164-V182 HydrophobicContact CD1-CB 3.96Å; L164-V182 HydrophobicContact CD1-CG1 4.26Å; L164-V205 HydrophobicContact CB-CG2 4.05Å; L164-V205 HydrophobicContact CD1-CG1 4.13Å; L164-V205 HydrophobicContact CD2-CG1 4.07Å; L164-V205 HydrophobicContact CD2-CG2 4.45Å; L164-L206 WeakPolarHBondContact CA-O 3.39Å; L164-L336 HydrophobicContact CD2-CD1 4.22Å; L164-L336 HydrophobicContact CD2-CD2 4.29Å; L164-I347 HydrophobicContact CD2-CD1 3.63Å; L164-I347 HydrophobicContact CD2-CG1 4.45Å; L164-I347 HydrophobicContact CG-CD1 4.09Å
165	D	94.6	Very high	77.1	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.112	26%	0.262	C	S	.	.			trans	-97.6	106.8	173.5	-172.5	-15.7	0	0	0	110.3	R167 T168 L206 A208	D165-R167 PolarHBondContact O-N 2.5Å; D165-R167 VanDerWaalsContact OD1-CB 3.22Å; D165-R167 WeakPolarHBondContact OD1-CB 3.33Å; D165-R167 WeakPolarHBondContact OD1-CG 3.38Å; D165-R167 IonicContact OD1-CZ 3.87Å; D165-R167 PolarHBondContact OD1-N 3.05Å; D165-R167 IonicContact OD1-NE 3.1Å; D165-R167 PolarHBondContact OD1-NE 2.86Å; D165-R167 IonicContact OD1-NH2 3.05Å; D165-R167 IonicContact OD2-CZ 3.83Å; D165-R167 IonicContact OD2-NE 3.97Å; D165-R167 PolarHBondContact OD2-NE 3.1Å; D165-R167 IonicContact OD2-NH2 3.09Å; D165-R167 PolarHBondContact OD2-NH2 3.23Å; D165-T168 HydrophobicContact CB-CG2 4.02Å; D165-T168 PolarHBondContact O-N 2.64Å; D165-T168 PolarHBondContact O-OG1 2.8Å; D165-L206 PolarHBondContact N-O 3.34Å; D165-A208 HydrophobicContact CB-CB 4.08Å
166	P	93.5	Very high	79.5	Confident	57 Å²	57	51.7 Å²	51.7	37%	0.37	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.8	-179.9	-23.6	34.7	0	0	0	114.5	L164 T168 I175 R198	L164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-T168 PolarHBondContact O-N 3.27Å; P166-I175 HydrophobicContact CB-CG1 4.44Å; P166-I175 HydrophobicContact CG-CG2 4.41Å; P166-R198 PolarHBondContact O-NH1 3.48Å; P166-R198 VanDerWaalsContact O-NH1 3.14Å
167	R	93.6	Very high	82	Confident	169 Å²	169	56.8 Å²	56.8	64%	0.638	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.6	177.2	-57.7	174.7	-63.5	175.4	5.3	112.1	D165	D165-R167 PolarHBondContact O-N 2.5Å; D165-R167 VanDerWaalsContact OD1-CB 3.22Å; D165-R167 WeakPolarHBondContact OD1-CB 3.33Å; D165-R167 WeakPolarHBondContact OD1-CG 3.38Å; D165-R167 IonicContact OD1-CZ 3.87Å; D165-R167 PolarHBondContact OD1-N 3.05Å; D165-R167 IonicContact OD1-NE 3.1Å; D165-R167 PolarHBondContact OD1-NE 2.86Å; D165-R167 IonicContact OD1-NH2 3.05Å; D165-R167 IonicContact OD2-CZ 3.83Å; D165-R167 IonicContact OD2-NE 3.97Å; D165-R167 PolarHBondContact OD2-NE 3.1Å; D165-R167 IonicContact OD2-NH2 3.09Å; D165-R167 PolarHBondContact OD2-NH2 3.23Å
168	T	95.7	Very high	84.2	Confident	13 Å²	13	49.6 Å²	49.6	8%	0.08	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-24.7	179.5	70.5	0	0	0	0	112.9	D165 P166 A197 F199 L206	D165-T168 HydrophobicContact CB-CG2 4.02Å; D165-T168 PolarHBondContact O-N 2.64Å; D165-T168 PolarHBondContact O-OG1 2.8Å; P166-T168 PolarHBondContact O-N 3.27Å; T168-A197 WeakPolarHBondContact CA-O 3.12Å; T168-F199 VanDerWaalsContact O-CD2 3.24Å; T168-F199 WeakPolarHBondContact O-CD2 3.18Å; T168-F199 PolarHBondContact O-N 2.87Å; T168-F199 VanDerWaalsContact O-N 3.16Å; T168-L206 HydrophobicContact CG2-CB 4.34Å; T168-L206 PolarHBondContact OG1-N 2.86Å
169	A	94.6	Very high	86.4	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	26%	0.259	C	S	.	.	S	Bend	trans	-60.2	138.8	-172.7	0	0	0	0	0	113	I175 R198 A204 V205	A169-I175 HydrophobicContact CB-CD1 4.07Å; A169-I175 HydrophobicContact CB-CG1 4.09Å; A169-R198 VanDerWaalsContact O-CD 3.26Å; A169-R198 WeakPolarHBondContact O-CD 3.46Å; A169-R198 WeakPolarHBondContact O-CG 3.42Å; A169-R198 PolarHBondContact O-NH1 2.88Å; A169-A204 CarbonylContact C-O 3.54Å; A169-A204 WeakPolarHBondContact CA-O 3.33Å; A169-V205 HydrophobicContact CB-CB 3.88Å; A169-V205 HydrophobicContact CB-CG2 3.7Å
170	H	94	Very high	88.3	Confident	30 Å²	30	47.9 Å²	47.9	14%	0.139	26%	0.261	C	S	.	.			trans	-55.4	151.1	171.8	-177.6	-88.2	0	0	0	113.1	G172 L173 F199 D200 L202 L203 A204	H170-G172 PolarHBondContact ND1-N 3.19Å; H170-G172 PolarHBondContact O-N 2.98Å; H170-L173 HydrophobicContact CB-CD1 3.94Å; H170-L173 HydrophobicContact CB-CG 4.05Å; H170-L173 WeakPolarHBondContact O-CB 3.48Å; H170-L173 PolarHBondContact O-N 3.14Å; H170-F199 WeakPolarHBondContact CA-O 3.35Å; H170-F199 HydrophobicContact CB-CB 4.38Å; H170-F199 PolarHBondContact CD2-O 3.13Å; H170-F199 VanDerWaalsContact CD2-O 3.29Å; H170-D200 VanDerWaalsContact CD2-C 3.5Å; H170-D200 PolarHBondContact NE2-O 2.71Å; H170-L202 WeakPolarHBondContact CB-O 3.32Å; H170-L202 PolarHBondContact CD2-O 3.19Å; H170-L203 HydrophobicContact CB-CD2 4.42Å; H170-L203 VanDerWaalsContact ND1-CD2 3.29Å; H170-L203 WeakPolarHBondContact ND1-CD2 3.35Å; H170-A204 PolarHBondContact N-O 2.83Å
171	R	91.2	Very high	90.2	Very high	85 Å²	85	46 Å²	46	32%	0.321	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	-176.4	-65.4	173.1	66.4	133.5	1.5	113.9	L173 E191	R171-L173 VanDerWaalsContact C-N 3.31Å; R171-E191 IonicContact CZ-OE2 2.67Å; R171-E191 IonicContact NE-OE2 3.13Å; R171-E191 PolarHBondContact NE-OE2 2.92Å; R171-E191 IonicContact NH2-OE2 2.83Å; R171-E191 PolarHBondContact NH2-OE2 3.21Å
172	G	89.3	Confident	91.2	Very high	22 Å²	22	41.9 Å²	41.9	23%	0.227	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6.4	175.5	0	0	0	0	0	115.2	H170 L184 A185	H170-G172 PolarHBondContact ND1-N 3.19Å; H170-G172 PolarHBondContact O-N 2.98Å; G172-L184 WeakPolarHBondContact O-CD2 3.37Å; G172-A185 WeakPolarHBondContact O-CB 3.29Å; G172-A185 PolarHBondContact O-N 2.89Å
173	L	91.1	Very high	91.5	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.4	177.1	-66.6	177.3	0	0	0	111.5	H170 R171 V182 S183 L184 A204 T338	H170-L173 HydrophobicContact CB-CD1 3.94Å; H170-L173 HydrophobicContact CB-CG 4.05Å; H170-L173 WeakPolarHBondContact O-CB 3.48Å; H170-L173 PolarHBondContact O-N 3.14Å; R171-L173 VanDerWaalsContact C-N 3.31Å; L173-V182 HydrophobicContact CB-CG2 4.07Å; L173-V182 HydrophobicContact CD1-CG2 3.93Å; L173-V182 HydrophobicContact CD2-CG2 3.96Å; L173-V182 HydrophobicContact CG-CG2 4.21Å; L173-S183 WeakPolarHBondContact CA-O 3.24Å; L173-L184 HydrophobicContact CD2-CD2 4.12Å; L173-A204 WeakPolarHBondContact CD1-O 3.49Å; L173-T338 HydrophobicContact CD2-CG2 3.82Å
174	L	90.9	Very high	91.3	Very high	76 Å²	76	43.7 Å²	43.7	40%	0.398	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.2	171.4	-170	140.5	0	0	0	109.3	V182 S183 A185	L174-V182 WeakPolarHBondContact O-CA 3.46Å; L174-S183 PolarHBondContact N-O 3.2Å; L174-S183 PolarHBondContact O-N 2.88Å; L174-A185 HydrophobicContact CB-CB 4.42Å
175	I	91.4	Very high	91	Very high	30 Å²	30	44.9 Å²	44.9	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.6	174.8	-54.9	-58.7	0	0	0	108.1	L164 P166 A169 N179 G181 V182 V205	L164-I175 HydrophobicContact CB-CD1 4.37Å; L164-I175 HydrophobicContact CB-CG2 4.24Å; L164-I175 HydrophobicContact CD1-CD1 4.03Å; P166-I175 HydrophobicContact CB-CG1 4.44Å; P166-I175 HydrophobicContact CG-CG2 4.41Å; A169-I175 HydrophobicContact CB-CD1 4.07Å; A169-I175 HydrophobicContact CB-CG1 4.09Å; I175-N179 HydrophobicContact CG2-CB 4.38Å; I175-G181 WeakPolarHBondContact CA-O 3.44Å; I175-V182 HydrophobicContact CD1-CB 3.95Å; I175-V182 HydrophobicContact CD1-CG2 3.83Å; I175-V205 HydrophobicContact CD1-CB 4.23Å; I175-V205 HydrophobicContact CD1-CG1 4.15Å; I175-V205 HydrophobicContact CD1-CG2 3.87Å
176	S	90.3	Very high	90.5	Very high	28 Å²	28	47.7 Å²	47.7	20%	0.196	26%	0.264	C	S	.	.			trans	-63.3	157.8	177	60.6	0	0	0	0	111.6	D178 N179 R180 G181	S176-D178 WeakPolarHBondContact CB-OD1 3.48Å; S176-D178 PolarHBondContact O-N 3.48Å; S176-D178 VanDerWaalsContact O-N 3.13Å; S176-D178 PolarHBondContact OG-OD1 3.27Å; S176-N179 WeakPolarHBondContact O-CA 3.27Å; S176-N179 PolarHBondContact O-N 2.98Å; S176-R180 PolarHBondContact OG-N 3.02Å; S176-G181 PolarHBondContact N-O 2.7Å; S176-G181 WeakPolarHBondContact OG-CA 3.27Å; S176-G181 PolarHBondContact OG-N 3.23Å; S176-G181 PolarHBondContact OG-O 2.75Å
177	S	87.6	Confident	90	Very high	129 Å²	129	51.6 Å²	51.6	90%	0.902	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.4	-177.7	53.1	0	0	0	0	114.2	N179	S177-N179 VanDerWaalsContact C-N 3.29Å
178	D	86.3	Confident	89.3	Confident	49 Å²	49	47.5 Å²	47.5	26%	0.262	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.8	175.2	68.6	-15	0	0	0	113.6	S176 R180 R346	S176-D178 WeakPolarHBondContact CB-OD1 3.48Å; S176-D178 PolarHBondContact O-N 3.48Å; S176-D178 VanDerWaalsContact O-N 3.13Å; S176-D178 PolarHBondContact OG-OD1 3.27Å; D178-R180 WeakPolarHBondContact O-CG 3.41Å; D178-R180 PolarHBondContact O-N 2.72Å; D178-R180 PolarHBondContact OD1-N 2.91Å; D178-R180 IonicContact OD2-NH1 3.24Å; D178-R346 IonicContact OD1-NH1 2.91Å; D178-R346 PolarHBondContact OD1-NH1 2.9Å; D178-R346 IonicContact OD2-CZ 3.1Å; D178-R346 VanDerWaalsContact OD2-CZ 3.25Å; D178-R346 IonicContact OD2-NH1 3.63Å; D178-R346 PolarHBondContact OD2-NH1 3.06Å; D178-R346 IonicContact OD2-NH2 3.72Å; D178-R346 PolarHBondContact OD2-NH2 3.06Å
179	N	89.3	Confident	88.7	Confident	59 Å²	59	49.5 Å²	49.5	32%	0.316	31%	0.312	S	S	.	.	S	Bend	trans	54.4	28.3	-176.8	-63.1	-39.1	0	0	0	114.1	T163 L164 I175 S176 S177	T163-N179 CarbonylContact C-O 3.6Å; T163-N179 VanDerWaalsContact CA-O 3.27Å; T163-N179 WeakPolarHBondContact CA-O 3.13Å; T163-N179 HydrophobicContact CG2-CB 4.26Å; L164-N179 PolarHBondContact N-O 2.75Å; I175-N179 HydrophobicContact CG2-CB 4.38Å; S176-N179 WeakPolarHBondContact O-CA 3.27Å; S176-N179 PolarHBondContact O-N 2.98Å; S177-N179 VanDerWaalsContact C-N 3.29Å
180	R	90.1	Very high	88.1	Confident	50 Å²	50	55 Å²	55	19%	0.189	35%	0.347	C	S	.	.			trans	-113.3	-19.5	178.6	-63.7	-164.9	-171.8	105.6	-4	114.1	D161 S176 D178 R346 I347	D161-R180 IonicContact OD1-CZ 3.75Å; D161-R180 VanDerWaalsContact OD1-CZ 3.3Å; D161-R180 IonicContact OD1-NE 2.92Å; D161-R180 PolarHBondContact OD1-NE 3.22Å; D161-R180 VanDerWaalsContact OD1-NE 3.1Å; D161-R180 IonicContact OD1-NH2 3.3Å; D161-R180 PolarHBondContact OD1-NH2 3.33Å; D161-R180 IonicContact OD2-NH2 3.83Å; D161-R180 PolarHBondContact OD2-NH2 2.67Å; S176-R180 PolarHBondContact OG-N 3.02Å; D178-R180 WeakPolarHBondContact O-CG 3.41Å; D178-R180 PolarHBondContact O-N 2.72Å; D178-R180 PolarHBondContact OD1-N 2.91Å; D178-R180 IonicContact OD2-NH1 3.24Å; R180-R346 CarbonylContact O-C 3.44Å; R180-R346 WeakPolarHBondContact O-CA 3.19Å; R180-I347 HydrophobicContact CB-CB 4.42Å; R180-I347 PolarHBondContact O-N 3.49Å
181	G	90.3	Very high	87.4	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150	-179.6	0	0	0	0	0	112.3	I175 S176 L345	I175-G181 WeakPolarHBondContact CA-O 3.44Å; S176-G181 PolarHBondContact N-O 2.7Å; S176-G181 WeakPolarHBondContact OG-CA 3.27Å; S176-G181 PolarHBondContact OG-N 3.23Å; S176-G181 PolarHBondContact OG-O 2.75Å; G181-L345 CarbonylContact C-O 3.58Å; G181-L345 VanDerWaalsContact CA-O 3.28Å; G181-L345 WeakPolarHBondContact CA-O 3.3Å
182	V	92.1	Very high	87.2	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136	171.7	59.7	0	0	0	0	110.3	L164 L173 L174 I175 V205 L336 T338 P344 L345	L164-V182 HydrophobicContact CD1-CB 3.96Å; L164-V182 HydrophobicContact CD1-CG1 4.26Å; L173-V182 HydrophobicContact CB-CG2 4.07Å; L173-V182 HydrophobicContact CD1-CG2 3.93Å; L173-V182 HydrophobicContact CD2-CG2 3.96Å; L173-V182 HydrophobicContact CG-CG2 4.21Å; L174-V182 WeakPolarHBondContact O-CA 3.46Å; I175-V182 HydrophobicContact CD1-CB 3.95Å; I175-V182 HydrophobicContact CD1-CG2 3.83Å; V182-V205 HydrophobicContact CB-CG1 4.08Å; V182-V205 HydrophobicContact CG1-CG1 4.13Å; V182-V205 HydrophobicContact CG2-CG1 3.92Å; V182-L336 HydrophobicContact CG1-CB 4.06Å; V182-L336 HydrophobicContact CG1-CD2 3.89Å; V182-T338 HydrophobicContact CG1-CG2 4.41Å; V182-T338 HydrophobicContact CG2-CG2 4.22Å; V182-P344 WeakPolarHBondContact O-CA 3.27Å; V182-L345 HydrophobicContact CG1-CB 3.86Å; V182-L345 PolarHBondContact N-O 3.04Å; V182-L345 PolarHBondContact O-N 2.64Å
183	S	90.5	Very high	87.1	Confident	32 Å²	32	64.1 Å²	64.1	22%	0.224	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.6	174.4	66.7	0	0	0	0	110.2	L173 L174	L173-S183 WeakPolarHBondContact CA-O 3.24Å; L174-S183 PolarHBondContact N-O 3.2Å; L174-S183 PolarHBondContact O-N 2.88Å
184	L	88.5	Confident	87	Confident	39 Å²	39	66.8 Å²	66.8	20%	0.204	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.3	167.6	-82.8	173.2	0	0	0	110.9	G172 L173 L203 C339 P341	G172-L184 WeakPolarHBondContact O-CD2 3.37Å; L173-L184 HydrophobicContact CD2-CD2 4.12Å; L184-L203 HydrophobicContact CD2-CD1 4.08Å; L184-L203 HydrophobicContact CD2-CD2 3.97Å; L184-C339 WeakPolarHBondContact CD1-O 3.47Å; L184-P341 HydrophobicContact CB-CB 4.27Å
185	A	86.8	Confident	87	Confident	26 Å²	26	65 Å²	65	22%	0.215	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-71.7	135.1	175	0	0	0	0	0	110	G172 L174 T189	G172-A185 WeakPolarHBondContact O-CB 3.29Å; G172-A185 PolarHBondContact O-N 2.89Å; L174-A185 HydrophobicContact CB-CB 4.42Å; A185-T189 HydrophobicContact CB-CG2 4.2Å
186	P	83.6	Confident	87.1	Confident	80 Å²	80	69.2 Å²	69.2	52%	0.519	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58.9	151.2	173.1	-24.5	33.7	0	0	0	112.2	G188 T189	P186-G188 PolarHBondContact O-N 3.38Å; P186-T189 WeakPolarHBondContact CD-OG1 3.19Å; P186-T189 WeakPolarHBondContact O-CB 3.47Å; P186-T189 PolarHBondContact O-N 3.21Å; P186-T189 VanDerWaalsContact O-N 3.12Å; P186-T189 PolarHBondContact O-OG1 2.8Å
187	P	82.4	Confident	87.2	Confident	140 Å²	140	70.1 Å²	70.1	91%	0.909	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	135.6	173.3	-25.5	34.3	0	0	0	111.8	T189	P187-T189 VanDerWaalsContact C-N 3.35Å
188	G	80.2	Confident	87.6	Confident	82 Å²	82	65.1 Å²	65.1	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	1	-178.7	0	0	0	0	0	115.2	P186	P186-G188 PolarHBondContact O-N 3.38Å
189	T	82.3	Confident	87.9	Confident	55 Å²	55	62.8 Å²	62.8	34%	0.337	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-64.1	129.4	170	-55.4	0	0	0	0	109.8	A185 P186 P187 E191	A185-T189 HydrophobicContact CB-CG2 4.2Å; P186-T189 WeakPolarHBondContact CD-OG1 3.19Å; P186-T189 WeakPolarHBondContact O-CB 3.47Å; P186-T189 PolarHBondContact O-N 3.21Å; P186-T189 VanDerWaalsContact O-N 3.12Å; P186-T189 PolarHBondContact O-OG1 2.8Å; P187-T189 VanDerWaalsContact C-N 3.35Å; T189-E191 PolarHBondContact O-N 3.32Å
190	P	82.4	Confident	87.9	Confident	118 Å²	118	62.2 Å²	62.2	77%	0.766	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.7	125.4	176.9	-24	33.4	0	0	0	111.3
191	E	79.6	Confident	87.7	Confident	124 Å²	124	66 Å²	66	58%	0.579	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-75.5	136.3	179.7	-66.2	-173.7	179.7	0	0	111.2	R171 T189	R171-E191 IonicContact CZ-OE2 2.67Å; R171-E191 IonicContact NE-OE2 3.13Å; R171-E191 PolarHBondContact NE-OE2 2.92Å; R171-E191 IonicContact NH2-OE2 2.83Å; R171-E191 PolarHBondContact NH2-OE2 3.21Å; T189-E191 PolarHBondContact O-N 3.32Å
192	P	85.6	Confident	87.7	Confident	46 Å²	46	67.1 Å²	67.1	30%	0.299	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-70.5	154.9	175.1	29.4	-33.6	0	0	0	111.2	D194	P192-D194 PolarHBondContact O-N 3.49Å
193	L	87.6	Confident	87.7	Confident	158 Å²	158	69.3 Å²	69.3	83%	0.827	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-58.6	139.6	175.3	-168.5	69	0	0	0	110.6	R198	L193-R198 PolarHBondContact O-NE 2.87Å
194	D	89.1	Confident	87.9	Confident	71 Å²	71	67.8 Å²	67.8	38%	0.38	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-72.1	149.1	176.3	-166.6	26.8	0	0	0	111.4	P192 K255	P192-D194 PolarHBondContact O-N 3.49Å; D194-K255 IonicContact OD1-NZ 3.04Å; D194-K255 PolarHBondContact OD1-NZ 2.86Å; D194-K255 IonicContact OD2-NZ 3.19Å; D194-K255 PolarHBondContact OD2-NZ 2.82Å; D194-K255 VanDerWaalsContact OD2-NZ 3.13Å
195	S	92.4	Very high	88.3	Confident	39 Å²	39	66 Å²	66	27%	0.273	40%	0.403	S	S	.	.			trans	-147.5	160.4	176	75.8	0	0	0	0	110.7	A197 R198 K255	S195-A197 PolarHBondContact O-N 2.85Å; S195-R198 WeakPolarHBondContact O-CB 3.33Å; S195-R198 PolarHBondContact O-N 2.8Å; S195-K255 WeakPolarHBondContact O-CE 3.39Å; S195-K255 PolarHBondContact O-NZ 2.8Å
196	P	93.1	Very high	88.7	Confident	118 Å²	118	64.9 Å²	64.9	77%	0.766	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.6	178.4	-25.5	35	0	0	0	114.3	R198	P196-R198 VanDerWaalsContact C-N 3.3Å
197	A	92.7	Very high	89.3	Confident	47 Å²	47	61.1 Å²	61.1	39%	0.388	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.9	179.2	0	0	0	0	0	113.4	T168 S195	T168-A197 WeakPolarHBondContact CA-O 3.12Å; S195-A197 PolarHBondContact O-N 2.85Å
198	R	94.7	Very high	89.7	Confident	24 Å²	24	56.7 Å²	56.7	9%	0.091	35%	0.345	C	S	.	.	S	Bend	trans	-87.3	137.9	-172.9	-160.8	-174.1	-73.6	-71.6	-6.4	111.9	P166 A169 L193 S195 P196 K255	P166-R198 PolarHBondContact O-NH1 3.48Å; P166-R198 VanDerWaalsContact O-NH1 3.14Å; A169-R198 VanDerWaalsContact O-CD 3.26Å; A169-R198 WeakPolarHBondContact O-CD 3.46Å; A169-R198 WeakPolarHBondContact O-CG 3.42Å; A169-R198 PolarHBondContact O-NH1 2.88Å; L193-R198 PolarHBondContact O-NE 2.87Å; S195-R198 WeakPolarHBondContact O-CB 3.33Å; S195-R198 PolarHBondContact O-N 2.8Å; P196-R198 VanDerWaalsContact C-N 3.3Å; R198-K255 VanDerWaalsContact O-CE 3.29Å; R198-K255 WeakPolarHBondContact O-CE 3.37Å; R198-K255 PolarHBondContact O-NZ 3.01Å
199	F	92.4	Very high	90.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.319	C	S	.	.			trans	-68.4	135.2	166.2	-63.8	-77.3	0	0	0	111.7	T168 H170 L202 A204 L206 V252 R254 I258	T168-F199 VanDerWaalsContact O-CD2 3.24Å; T168-F199 WeakPolarHBondContact O-CD2 3.18Å; T168-F199 PolarHBondContact O-N 2.87Å; T168-F199 VanDerWaalsContact O-N 3.16Å; H170-F199 WeakPolarHBondContact CA-O 3.35Å; H170-F199 HydrophobicContact CB-CB 4.38Å; H170-F199 PolarHBondContact CD2-O 3.13Å; H170-F199 VanDerWaalsContact CD2-O 3.29Å; F199-L202 WeakPolarHBondContact CB-O 3.28Å; F199-L202 HydrophobicContact CD1-CB 4.27Å; F199-L202 HydrophobicContact CD1-CD2 4.23Å; F199-L202 HydrophobicContact CE1-CD2 4.18Å; F199-A204 HydrophobicContact CD2-CB 3.76Å; F199-A204 WeakPolarHBondContact CD2-O 3.43Å; F199-A204 HydrophobicContact CE2-CB 3.84Å; F199-A204 HydrophobicContact CG-CB 4.15Å; F199-A204 HydrophobicContact CZ-CB 4.3Å; F199-L206 HydrophobicContact CE2-CD2 4.36Å; F199-L206 HydrophobicContact CE2-CG 4.13Å; F199-L206 HydrophobicContact CZ-CD2 4.39Å; F199-L206 HydrophobicContact CZ-CG 4.42Å; F199-V252 HydrophobicContact CZ-CG1 4.26Å; F199-R254 WeakPolarHBondContact CA-O 3.38Å; F199-R254 VanDerWaalsContact CE1-CD 3.48Å; F199-R254 VanDerWaalsContact CE2-NH1 3.28Å; F199-I258 HydrophobicContact CD1-CD1 3.77Å; F199-I258 HydrophobicContact CE1-CD1 3.98Å
200	D	89.1	Confident	90.4	Very high	48 Å²	48	53.9 Å²	53.9	26%	0.257	31%	0.31	S	S	.	.	S	Bend	trans	-106.5	-29.5	-177	67.2	-19.2	0	0	0	114.6	H170 R254 K255 G256	H170-D200 VanDerWaalsContact CD2-C 3.5Å; H170-D200 PolarHBondContact NE2-O 2.71Å; D200-R254 PolarHBondContact N-O 2.97Å; D200-K255 HydrophobicContact CB-CD 3.95Å; D200-K255 VanDerWaalsContact OD1-CA 3.26Å; D200-K255 WeakPolarHBondContact OD1-CA 3.41Å; D200-G256 PolarHBondContact OD1-N 2.92Å; D200-G256 PolarHBondContact OD2-N 2.81Å
201	Q	87.4	Confident	90.6	Very high	130 Å²	130	49.1 Å²	49.1	61%	0.607	28%	0.278	S	S	*	.	S	Bend	trans	-117.7	-38.7	-179.6	-67	-67.4	-62.7	0	0	111.5
202	L	89.6	Confident	90.8	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.162	27%	0.269	C	S	.	.	S	Bend	trans	-81.2	123.6	179.1	-178	68.3	0	0	0	109.9	H170 F199 A204 I258 L260	H170-L202 WeakPolarHBondContact CB-O 3.32Å; H170-L202 PolarHBondContact CD2-O 3.19Å; F199-L202 WeakPolarHBondContact CB-O 3.28Å; F199-L202 HydrophobicContact CD1-CB 4.27Å; F199-L202 HydrophobicContact CD1-CD2 4.23Å; F199-L202 HydrophobicContact CE1-CD2 4.18Å; L202-A204 HydrophobicContact CB-CB 4.49Å; L202-A204 HydrophobicContact CD2-CB 3.57Å; L202-A204 HydrophobicContact CG-CB 3.64Å; L202-A204 PolarHBondContact O-N 2.8Å; L202-I258 HydrophobicContact CB-CD1 3.92Å; L202-I258 HydrophobicContact CD2-CD1 4.09Å; L202-L260 HydrophobicContact CD1-CD1 4.26Å; L202-L260 HydrophobicContact CD1-CD2 4.06Å; L202-L260 HydrophobicContact CD1-CG 4.46Å; L202-L260 HydrophobicContact CD2-CD2 3.74Å
203	L	92.3	Very high	90.5	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	28%	0.278	S	S	.	.			trans	-71.5	63.3	173.1	-66.3	172.2	0	0	0	111.6	H170 L184 C337 T338 C339	H170-L203 HydrophobicContact CB-CD2 4.42Å; H170-L203 VanDerWaalsContact ND1-CD2 3.29Å; H170-L203 WeakPolarHBondContact ND1-CD2 3.35Å; L184-L203 HydrophobicContact CD2-CD1 4.08Å; L184-L203 HydrophobicContact CD2-CD2 3.97Å; L203-C337 WeakPolarHBondContact O-CA 3.34Å; L203-T338 WeakPolarHBondContact CB-O 3.29Å; L203-T338 PolarHBondContact O-N 3.32Å; L203-C339 HydrophobicContact CD1-CB 3.91Å
204	A	93.9	Very high	89.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.4	-175.8	0	0	0	0	0	113.2	A169 H170 L173 F199 L202 L335 L336	A169-A204 CarbonylContact C-O 3.54Å; A169-A204 WeakPolarHBondContact CA-O 3.33Å; H170-A204 PolarHBondContact N-O 2.83Å; L173-A204 WeakPolarHBondContact CD1-O 3.49Å; F199-A204 HydrophobicContact CD2-CB 3.76Å; F199-A204 WeakPolarHBondContact CD2-O 3.43Å; F199-A204 HydrophobicContact CE2-CB 3.84Å; F199-A204 HydrophobicContact CG-CB 4.15Å; F199-A204 HydrophobicContact CZ-CB 4.3Å; L202-A204 HydrophobicContact CB-CB 4.49Å; L202-A204 HydrophobicContact CD2-CB 3.57Å; L202-A204 HydrophobicContact CG-CB 3.64Å; L202-A204 PolarHBondContact O-N 2.8Å; A204-L335 HydrophobicContact CB-CD1 3.87Å; A204-L336 CarbonylContact C-O 3.19Å; A204-L336 VanDerWaalsContact CA-O 3.3Å; A204-L336 WeakPolarHBondContact CA-O 3.32Å
205	V	96.4	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.9	168.6	59	0	0	0	0	109.3	L164 A169 I175 V182 L336	L164-V205 HydrophobicContact CB-CG2 4.05Å; L164-V205 HydrophobicContact CD1-CG1 4.13Å; L164-V205 HydrophobicContact CD2-CG1 4.07Å; L164-V205 HydrophobicContact CD2-CG2 4.45Å; A169-V205 HydrophobicContact CB-CB 3.88Å; A169-V205 HydrophobicContact CB-CG2 3.7Å; I175-V205 HydrophobicContact CD1-CB 4.23Å; I175-V205 HydrophobicContact CD1-CG1 4.15Å; I175-V205 HydrophobicContact CD1-CG2 3.87Å; V182-V205 HydrophobicContact CB-CG1 4.08Å; V182-V205 HydrophobicContact CG1-CG1 4.13Å; V182-V205 HydrophobicContact CG2-CG1 3.92Å; V205-L336 HydrophobicContact CG1-CB 4.13Å; V205-L336 PolarHBondContact N-O 3.08Å; V205-L336 PolarHBondContact O-N 3.37Å; V205-L336 VanDerWaalsContact O-N 3.08Å
206	L	97.1	Very high	88.8	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	157.7	172.4	-64.9	-167.2	0	0	0	113.1	L164 D165 T168 F199 A248 R254 F333 P334 L335	L164-L206 WeakPolarHBondContact CA-O 3.39Å; D165-L206 PolarHBondContact N-O 3.34Å; T168-L206 HydrophobicContact CG2-CB 4.34Å; T168-L206 PolarHBondContact OG1-N 2.86Å; F199-L206 HydrophobicContact CE2-CD2 4.36Å; F199-L206 HydrophobicContact CE2-CG 4.13Å; F199-L206 HydrophobicContact CZ-CD2 4.39Å; F199-L206 HydrophobicContact CZ-CG 4.42Å; L206-A248 HydrophobicContact CD2-CB 3.85Å; L206-R254 VanDerWaalsContact CD1-CZ 3.41Å; L206-R254 VanDerWaalsContact CG-NH1 3.35Å; L206-F333 HydrophobicContact CB-CB 4.27Å; L206-F333 HydrophobicContact CD1-CB 3.92Å; L206-F333 HydrophobicContact CD1-CD2 4.26Å; L206-F333 HydrophobicContact CD1-CG 4.06Å; L206-F333 HydrophobicContact CD2-CB 4.35Å; L206-F333 HydrophobicContact CG-CB 4.43Å; L206-P334 CarbonylContact C-O 3.58Å; L206-P334 VanDerWaalsContact CA-O 3.24Å; L206-P334 WeakPolarHBondContact CA-O 3.46Å; L206-P334 WeakPolarHBondContact CD2-O 3.13Å; L206-L335 HydrophobicContact CD2-CB 4.09Å; L206-L335 HydrophobicContact CD2-CD1 3.55Å; L206-L335 HydrophobicContact CD2-CG 4.44Å
207	G	94.4	Very high	88.4	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.021	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-61.8	146.9	161.2	0	0	0	0	0	111.9	T163 Q209 F333 P334	T163-G207 CarbonylContact O-C 3.58Å; T163-G207 VanDerWaalsContact O-CA 3.27Å; T163-G207 WeakPolarHBondContact O-CA 3.38Å; G207-Q209 VanDerWaalsContact C-N 3.32Å; G207-F333 WeakPolarHBondContact O-CD1 3.38Å; G207-P334 PolarHBondContact N-O 3.42Å
208	A	91.1	Very high	88.2	Confident	47 Å²	47	37.4 Å²	37.4	39%	0.388	21%	0.208	S	C	.	.	S	Bend	trans	-71.5	-30.3	174	0	0	0	0	0	111.9	T163 D165	T163-A208 PolarHBondContact O-N 3.19Å; D165-A208 HydrophobicContact CB-CB 4.08Å
209	Q	89.7	Confident	88	Confident	63 Å²	63	36.8 Å²	36.8	29%	0.294	21%	0.206	S	C	.	.			trans	-92.9	122.5	176.4	-55.3	76.8	11.7	0	0	109.5	D161 L162 T163 G207 P334	D161-Q209 PolarHBondContact O-NE2 2.99Å; L162-Q209 HydrophobicContact CD2-CB 3.67Å; L162-Q209 HydrophobicContact CD2-CG 4.06Å; T163-Q209 PolarHBondContact O-OE1 2.8Å; T163-Q209 PolarHBondContact OG1-NE2 3.43Å; G207-Q209 VanDerWaalsContact C-N 3.32Å; Q209-P334 WeakPolarHBondContact O-CD 3.35Å
210	G	88.2	Confident	88	Confident	14 Å²	14	36.8 Å²	36.8	14%	0.144	21%	0.206	C	C	.	.			trans	-115	142.5	171.8	0	0	0	0	0	111.7	R331 V332 F333	G210-R331 PolarHBondContact O-NH1 2.85Å; G210-V332 CarbonylContact C-O 3.54Å; G210-V332 VanDerWaalsContact CA-O 3.32Å; G210-V332 WeakPolarHBondContact CA-O 3.19Å; G210-F333 VanDerWaalsContact CA-CE1 3.42Å
211	F	85.8	Confident	88.1	Confident	19 Å²	19	37.4 Å²	37.4	8%	0.083	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-107.5	130	-171.3	-51.5	-73.2	0	0	0	111.7	L162 H216 W218 L301 R331 V332 P334	L162-F211 HydrophobicContact CD1-CZ 4.33Å; L162-F211 HydrophobicContact CD2-CE2 4.44Å; L162-F211 HydrophobicContact CD2-CZ 3.8Å; F211-H216 HydrophobicContact CD1-CB 4.13Å; F211-H216 AromaticContact CD1-CD2 3.47Å; F211-H216 VanDerWaalsContact CD1-CD2 3.47Å; F211-H216 WeakPolarHBondContact CD1-CD2 3.46Å; F211-H216 AromaticContact CD1-CE1 3.37Å; F211-H216 WeakPolarHBondContact CD1-CE1 3.38Å; F211-H216 AromaticContact CD1-CG 3.33Å; F211-H216 AromaticContact CD1-ND1 3.29Å; F211-H216 VanDerWaalsContact CD1-ND1 3.29Å; F211-H216 WeakPolarHBondContact CD1-ND1 3.27Å; F211-H216 AromaticContact CD1-NE2 3.47Å; F211-H216 WeakPolarHBondContact CD1-NE2 3.22Å; F211-H216 HydrophobicContact CD2-CB 4.18Å; F211-H216 HydrophobicContact CE1-CB 3.97Å; F211-H216 AromaticContact CE1-CE1 3.75Å; F211-H216 AromaticContact CE1-CG 3.48Å; F211-H216 VanDerWaalsContact CE1-CG 3.48Å; F211-H216 AromaticContact CE1-ND1 3.24Å; F211-H216 WeakPolarHBondContact CE1-ND1 3.1Å; F211-H216 HydrophobicContact CE2-CB 4.03Å; F211-H216 HydrophobicContact CG-CB 4.19Å; F211-H216 AromaticContact CG-CD2 3.51Å; F211-H216 AromaticContact CG-CG 3.63Å; F211-H216 AromaticContact CG-NE2 3.87Å; F211-H216 HydrophobicContact CZ-CB 3.87Å; F211-H216 AromaticContact CZ-CG 3.91Å; F211-W218 HydrophobicContact CD2-CZ3 4.31Å; F211-W218 HydrophobicContact CE2-CE3 4.14Å; F211-W218 AromaticContact CE2-CZ3 3.86Å; F211-W218 HydrophobicContact CE2-CZ3 3.86Å; F211-L301 HydrophobicContact CB-CD2 3.85Å; F211-L301 HydrophobicContact CD2-CD2 3.88Å; F211-L301 HydrophobicContact CG-CD2 4.2Å; F211-R331 CarbonylContact O-C 3.55Å; F211-R331 WeakPolarHBondContact O-CA 3.36Å; F211-V332 WeakPolarHBondContact CD2-O 3.34Å; F211-V332 PolarHBondContact N-O 2.67Å; F211-V332 PolarHBondContact O-N 2.75Å; F211-P334 HydrophobicContact CE2-CG 4.41Å
212	A	84.4	Confident	88.1	Confident	49 Å²	49	31.6 Å²	31.6	41%	0.405	18%	0.181	S	C	.	.	S	Bend	trans	-119.8	8	-179.9	0	0	0	0	0	113.3	W303 R331	A212-W303 WeakPolarHBondContact O-CZ2 3.44Å; A212-R331 HydrophobicContact CB-CB 4.42Å
213	S	78.8	Confident	87.1	Confident	69 Å²	69	33.8 Å²	33.8	48%	0.483	20%	0.196	S	C	.	.	S	Bend	trans	-169.2	164.6	176.8	62.2	0	0	0	0	110.9	H216	S213-H216 PolarHBondContact O-CD2 2.75Å; S213-H216 PolarHBondContact O-NE2 2.93Å
214	G	75.3	Confident	85.6	Confident	31 Å²	31	36.5 Å²	36.5	32%	0.32	21%	0.207	S	C	.	.	S	Bend	trans	77.6	-163.9	172.1	0	0	0	0	0	115.1	W303	G214-W303 WeakPolarHBondContact O-CB 3.4Å; G214-W303 PolarHBondContact O-N 2.78Å
215	R	78.2	Confident	83.4	Confident	153 Å²	153	38.3 Å²	38.3	58%	0.577	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	179.7	-67.8	-178.9	178	168.9	3.6	110.2	L301 D302	R215-L301 CarbonylContact C-O 3.41Å; R215-L301 WeakPolarHBondContact CA-O 3.44Å; R215-D302 HydrophobicContact CG-CB 4.16Å; R215-D302 IonicContact CZ-OD2 2.64Å; R215-D302 VanDerWaalsContact CZ-OD2 3.24Å; R215-D302 IonicContact NE-OD2 3.23Å; R215-D302 PolarHBondContact NE-OD2 2.79Å; R215-D302 IonicContact NH2-OD2 3.05Å; R215-D302 PolarHBondContact NH2-OD2 2.83Å
216	H	80	Confident	80.4	Confident	42 Å²	42	42.3 Å²	42.3	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.1	-177.1	-56.9	-77.1	0	0	0	109.5	F211 S213 L301	F211-H216 HydrophobicContact CD1-CB 4.13Å; F211-H216 AromaticContact CD1-CD2 3.47Å; F211-H216 VanDerWaalsContact CD1-CD2 3.47Å; F211-H216 WeakPolarHBondContact CD1-CD2 3.46Å; F211-H216 AromaticContact CD1-CE1 3.37Å; F211-H216 WeakPolarHBondContact CD1-CE1 3.38Å; F211-H216 AromaticContact CD1-CG 3.33Å; F211-H216 AromaticContact CD1-ND1 3.29Å; F211-H216 VanDerWaalsContact CD1-ND1 3.29Å; F211-H216 WeakPolarHBondContact CD1-ND1 3.27Å; F211-H216 AromaticContact CD1-NE2 3.47Å; F211-H216 WeakPolarHBondContact CD1-NE2 3.22Å; F211-H216 HydrophobicContact CD2-CB 4.18Å; F211-H216 HydrophobicContact CE1-CB 3.97Å; F211-H216 AromaticContact CE1-CE1 3.75Å; F211-H216 AromaticContact CE1-CG 3.48Å; F211-H216 VanDerWaalsContact CE1-CG 3.48Å; F211-H216 AromaticContact CE1-ND1 3.24Å; F211-H216 WeakPolarHBondContact CE1-ND1 3.1Å; F211-H216 HydrophobicContact CE2-CB 4.03Å; F211-H216 HydrophobicContact CG-CB 4.19Å; F211-H216 AromaticContact CG-CD2 3.51Å; F211-H216 AromaticContact CG-CG 3.63Å; F211-H216 AromaticContact CG-NE2 3.87Å; F211-H216 HydrophobicContact CZ-CB 3.87Å; F211-H216 AromaticContact CZ-CG 3.91Å; S213-H216 PolarHBondContact O-CD2 2.75Å; S213-H216 PolarHBondContact O-NE2 2.93Å; H216-L301 HydrophobicContact CB-CB 4.4Å; H216-L301 PolarHBondContact N-O 3.19Å; H216-L301 PolarHBondContact O-N 3.04Å
217	C	84.8	Confident	77.6	Confident	11 Å²	11	47 Å²	47	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.8	176.2	58.3	0	0	0	0	110.4	L155 T159 R298 V299 D300	L155-C217 PolarHBondContact O-SG 3.49Å; T159-C217 VanDerWaalsContact CG2-O 3.27Å; T159-C217 WeakPolarHBondContact CG2-O 3.38Å; C217-R298 PolarHBondContact SG-NH2 2.78Å; C217-V299 CarbonylContact C-O 3.55Å; C217-V299 WeakPolarHBondContact CA-O 3.36Å; C217-D300 WeakPolarHBondContact CB-OD1 3.22Å
218	W	88.6	Confident	74.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.8	173.5	61.3	94	0	0	0	110.7	L162 F211 G246 A247 R298 V299 L301 P334	L162-W218 HydrophobicContact CD1-CB 3.4Å; L162-W218 HydrophobicContact CD1-CD2 4.21Å; L162-W218 HydrophobicContact CD1-CE3 4.29Å; L162-W218 HydrophobicContact CD1-CG 3.89Å; F211-W218 HydrophobicContact CD2-CZ3 4.31Å; F211-W218 HydrophobicContact CE2-CE3 4.14Å; F211-W218 AromaticContact CE2-CZ3 3.86Å; F211-W218 HydrophobicContact CE2-CZ3 3.86Å; W218-G246 WeakPolarHBondContact CZ2-O 3.47Å; W218-A247 HydrophobicContact CH2-CB 3.98Å; W218-A247 HydrophobicContact CZ2-CB 3.94Å; W218-R298 WeakPolarHBondContact O-CA 3.5Å; W218-V299 HydrophobicContact CD2-CB 4.04Å; W218-V299 HydrophobicContact CD2-CG1 4.47Å; W218-V299 HydrophobicContact CG-CB 4.37Å; W218-V299 HydrophobicContact CH2-CG1 3.92Å; W218-V299 HydrophobicContact CZ2-CB 3.83Å; W218-V299 HydrophobicContact CZ2-CG1 3.43Å; W218-V299 VanDerWaalsContact CZ2-CG1 3.43Å; W218-V299 HydrophobicContact CZ2-CG2 4.49Å; W218-V299 PolarHBondContact N-O 3.18Å; W218-V299 PolarHBondContact O-N 2.97Å; W218-L301 HydrophobicContact CH2-CB 4.22Å; W218-L301 HydrophobicContact CZ3-CB 3.95Å; W218-L301 HydrophobicContact CZ3-CD2 4.41Å; W218-P334 HydrophobicContact CD2-CB 4.42Å; W218-P334 HydrophobicContact CD2-CG 4.17Å; W218-P334 HydrophobicContact CE3-CG 4.46Å; W218-P334 HydrophobicContact CZ2-CB 4.15Å; W218-P334 HydrophobicContact CZ2-CG 4.27Å
219	E	90.2	Very high	72.4	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.6	-179.5	-66.5	179	-171.9	0	0	109	H156 R296 I297 R298 I347 V348	H156-E219 IonicContact CE1-OE1 3.86Å; E219-R296 HydrophobicContact CB-CG 4.34Å; E219-R296 WeakPolarHBondContact OE2-CD 3.16Å; E219-R296 IonicContact OE2-NH1 2.69Å; E219-I297 WeakPolarHBondContact CA-O 3.46Å; E219-R298 HydrophobicContact CG-CB 3.93Å; E219-R298 HydrophobicContact CG-CG 4.01Å; E219-R298 IonicContact OE1-NH1 3.55Å; E219-R298 PolarHBondContact OE1-NH1 2.75Å; E219-R298 VanDerWaalsContact OE1-NH1 3.1Å; E219-I347 WeakPolarHBondContact O-CA 3.3Å; E219-V348 HydrophobicContact CB-CB 3.94Å; E219-V348 HydrophobicContact CB-CG2 3.89Å; E219-V348 PolarHBondContact O-N 3.41Å
220	V	92.8	Very high	69.9	Low	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.6	177.5	-173.2	0	0	0	0	108.6	V245 R296 I297 L336 L345 R346	V220-V245 HydrophobicContact CB-CG1 4.06Å; V220-V245 HydrophobicContact CG1-CG1 3.72Å; V220-V245 HydrophobicContact CG2-CG1 4.43Å; V220-R296 WeakPolarHBondContact O-CA 3.35Å; V220-I297 PolarHBondContact N-O 2.81Å; V220-I297 PolarHBondContact O-N 3.24Å; V220-L336 HydrophobicContact CG1-CD2 4.03Å; V220-L336 HydrophobicContact CG1-CG 4.33Å; V220-L336 HydrophobicContact CG2-CD1 4.28Å; V220-L345 HydrophobicContact CG1-CB 4.17Å; V220-L345 HydrophobicContact CG1-CD2 4.46Å; V220-R346 CarbonylContact C-O 3.57Å; V220-R346 WeakPolarHBondContact CA-O 3.26Å
221	E	91.9	Very high	67.5	Low	62 Å²	62	69.9 Å²	69.9	29%	0.29	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.2	169.5	-75.4	174.9	170.7	0	0	110	Q295 R296 R346 V348	E221-Q295 WeakPolarHBondContact CA-O 3.32Å; E221-R296 IonicContact OE1-CZ 3.94Å; E221-R296 IonicContact OE1-NE 3.84Å; E221-R296 IonicContact OE1-NH2 2.81Å; E221-R296 PolarHBondContact OE1-NH2 3Å; E221-R346 PolarHBondContact N-O 3.32Å; E221-R346 PolarHBondContact O-N 3.47Å; E221-V348 HydrophobicContact CG-CG2 3.65Å
222	T	85.9	Confident	65.5	Low	7 Å²	7	74.2 Å²	74.2	4%	0.043	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.9	176.8	53.5	0	0	0	0	106	E224 Y243 V245 P294 Q295 I297 L345	T222-E224 PolarHBondContact O-N 3.29Å; T222-Y243 HydrophobicContact CG2-CD2 3.88Å; T222-Y243 HydrophobicContact CG2-CE1 4.24Å; T222-Y243 HydrophobicContact CG2-CE2 3.32Å; T222-V245 HydrophobicContact CG2-CG1 4.42Å; T222-P294 PolarHBondContact OG1-O 3.12Å; T222-Q295 PolarHBondContact N-O 3.03Å; T222-Q295 WeakPolarHBondContact OG1-CA 3.39Å; T222-Q295 PolarHBondContact OG1-O 3.39Å; T222-I297 HydrophobicContact CG2-CD1 4.23Å; T222-L345 HydrophobicContact CG2-CD2 3.79Å
223	V	70.1	Confident	63.3	Low	78 Å²	78	75.3 Å²	75.3	47%	0.473	43%	0.431	S	S	.	.			trans	-73.8	115.6	178.7	-176.6	0	0	0	0	107.6	G225 P344	V223-G225 PolarHBondContact O-N 3.27Å; V223-P344 HydrophobicContact CB-CG 4.35Å; V223-P344 HydrophobicContact CG2-CG 4.16Å
224	E	60.7	Low	61.7	Low	105 Å²	105	81 Å²	81	49%	0.491	45%	0.45	S	S	.	.			trans	-71.2	114.9	168	-164	173.6	-161.7	0	0	107	T222 A226	T222-E224 PolarHBondContact O-N 3.29Å; E224-A226 PolarHBondContact O-N 3.01Å
225	G	46.8	Very low	59.9	Low	37 Å²	37	85.4 Å²	85.4	38%	0.381	47%	0.466	S	S	.	.			trans	-53.8	114.7	163.9	0	0	0	0	0	107.2	V223 S227	V223-G225 PolarHBondContact O-N 3.27Å; G225-S227 PolarHBondContact O-N 3.37Å
226	A	34	Very low	58.2	Low	85 Å²	85	87.7 Å²	87.7	70%	0.702	48%	0.483	S	S	*	.			trans	-37.1	128.7	-175.8	0	0	0	0	0	111.4	E224 F228	E224-A226 PolarHBondContact O-N 3.01Å; A226-F228 PolarHBondContact O-N 3.15Å
227	S	38.1	Very low	56.4	Low	102 Å²	102	93 Å²	93	71%	0.713	51%	0.513	S	S	*	.			trans	-32.6	101.7	171.2	50.5	0	0	0	0	112.3	G225 R229	G225-S227 PolarHBondContact O-N 3.37Å; S227-R229 PolarHBondContact O-N 2.76Å
228	F	34.7	Very low	54.5	Low	165 Å²	165	96.2 Å²	96.2	72%	0.724	54%	0.541	S	S	*	.			trans	-91.4	64.5	160.4	-126.1	-86.7	0	0	0	108.6	A226 D230 S231	A226-F228 PolarHBondContact O-N 3.15Å; F228-D230 VanDerWaalsContact C-N 3.28Å; F228-D230 WeakPolarHBondContact CE1-O 3.34Å; F228-S231 WeakPolarHBondContact CE1-OG 3.4Å
229	R	41.9	Very low	52.7	Low	225 Å²	225	98.8 Å²	98.8	85%	0.849	57%	0.568	S	S	*	*			trans	-87.4	88.3	138.2	-80.8	-177	64.7	-165.9	-1.4	104.7	S227	S227-R229 PolarHBondContact O-N 2.76Å
230	D	37.5	Very low	51.3	Low	144 Å²	144	103.7 Å²	103.7	77%	0.77	59%	0.591	S	S	*	*	S	Bend	trans	177.8	60	140.8	-84.4	-10.9	0	0	0	110.2	F228	F228-D230 VanDerWaalsContact C-N 3.28Å; F228-D230 WeakPolarHBondContact CE1-O 3.34Å
231	S	37.2	Very low	50.1	Low	71 Å²	71	105.6 Å²	105.6	50%	0.497	60%	0.604	S	S	.	*			trans	-171	114.7	138.8	54.5	0	0	0	0	107.3	F228 S233	F228-S231 WeakPolarHBondContact CE1-OG 3.4Å; S231-S233 PolarHBondContact O-N 2.85Å
232	A	43.3	Very low	49.7	Very low	111 Å²	111	104.1 Å²	104.1	92%	0.917	60%	0.6	S	S	*	*			trans	-57.5	86	149.2	0	0	0	0	0	107.1
233	S	39	Very low	50	Low	72 Å²	72	105 Å²	105	50%	0.503	60%	0.603	S	S	.	*			trans	-100.3	111.2	157	68	0	0	0	0	105.5	S231 N235	S231-S233 PolarHBondContact O-N 2.85Å; S233-N235 PolarHBondContact O-N 3.06Å
234	E	44.2	Very low	51	Low	188 Å²	188	101.4 Å²	101.4	88%	0.879	58%	0.581	S	S	*	*			trans	-67.6	54.8	171	-60.7	178.1	151.4	0	0	110.4
235	N	37.1	Very low	52.7	Low	123 Å²	123	96.4 Å²	96.4	66%	0.658	56%	0.558	S	S	*	*			trans	-103.1	96.9	167.5	-70.3	-26.2	0	0	0	105.9	S233 D237	S233-N235 PolarHBondContact O-N 3.06Å; N235-D237 PolarHBondContact O-N 3.28Å
236	E	43.9	Very low	55	Low	201 Å²	201	94.6 Å²	94.6	94%	0.939	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	26	-178.6	-61.2	-174.1	137	0	0	114.2
237	D	40.9	Very low	58	Low	154 Å²	154	90.6 Å²	90.6	82%	0.824	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	27.2	-178.7	-151.3	20.1	0	0	0	112.5	N235 G239	N235-D237 PolarHBondContact O-N 3.28Å; D237-G239 VanDerWaalsContact C-N 3.27Å; D237-G239 PolarHBondContact O-N 2.92Å; D237-G239 VanDerWaalsContact O-N 3.13Å
238	A	45.3	Very low	60.8	Low	79 Å²	79	85.7 Å²	85.7	65%	0.653	47%	0.472	S	S	*	.			trans	-81.7	79.5	165	0	0	0	0	0	108.5	E240	A238-E240 PolarHBondContact O-N 2.79Å
239	G	51.4	Low	63.7	Low	56 Å²	56	77.9 Å²	77.9	58%	0.577	44%	0.438	S	S	*	.			trans	-43.5	126.7	174.4	0	0	0	0	0	111	D237 S241	D237-G239 VanDerWaalsContact C-N 3.27Å; D237-G239 PolarHBondContact O-N 2.92Å; D237-G239 VanDerWaalsContact O-N 3.13Å; G239-S241 PolarHBondContact O-N 2.85Å
240	E	60	Low	66.1	Low	113 Å²	113	72.2 Å²	72.2	53%	0.528	42%	0.421	S	S	.	.			trans	-58.6	110.2	-175.4	-67.9	175.3	-167	0	0	109.6	A238 C242 R272	A238-E240 PolarHBondContact O-N 2.79Å; E240-C242 PolarHBondContact O-N 3.06Å; E240-R272 HydrophobicContact CB-CG 4.47Å; E240-R272 IonicContact OE1-NH2 3.82Å; E240-R272 IonicContact OE2-CZ 3.09Å; E240-R272 IonicContact OE2-NE 2.64Å; E240-R272 PolarHBondContact OE2-NE 2.69Å; E240-R272 IonicContact OE2-NH2 2.7Å; E240-R272 PolarHBondContact OE2-NH2 2.83Å
241	S	68.4	Low	68.7	Low	39 Å²	39	69.2 Å²	69.2	27%	0.273	41%	0.412	S	S	.	.			trans	-52.4	114.3	177.7	178.7	0	0	0	0	109.8	G239 D340 S343	G239-S241 PolarHBondContact O-N 2.85Å; S241-D340 WeakPolarHBondContact CB-OD2 3.43Å; S241-D340 WeakPolarHBondContact OG-CB 3.46Å; S241-D340 PolarHBondContact OG-OD2 3.2Å; S241-S343 PolarHBondContact OG-OG 2.7Å
242	C	83.5	Confident	71.4	Confident	32 Å²	32	66.2 Å²	66.2	22%	0.216	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.5	-178.6	78.5	0	0	0	0	110.7	E240 G271 R272 C339	E240-C242 PolarHBondContact O-N 3.06Å; C242-G271 WeakPolarHBondContact CA-O 3.38Å; C242-R272 HydrophobicContact CB-CG 4.49Å; C242-C339 WeakPolarHBondContact CA-SG 3.21Å; C242-C339 WeakPolarHBondContact CB-SG 3.41Å; C242-C339 PolarHBondContact N-SG 3.42Å; C242-C339 PolarHBondContact O-N 2.98Å; C242-C339 VanDerWaalsContact O-N 3.1Å; C242-C339 PolarHBondContact O-SG 2.93Å; C242-C339 WeakPolarHBondContact SG-CB 3.24Å; C242-C339 CovalentContact SG-SG 2.05Å; C242-C339 PolarHBondContact SG-SG 3Å
243	Y	91	Very high	73.8	Confident	25 Å²	25	63.9 Å²	63.9	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.8	170.1	71.2	-98.3	0	0	0	109.5	T222 V245 E270 G271 I297 C337 L345	T222-Y243 HydrophobicContact CG2-CD2 3.88Å; T222-Y243 HydrophobicContact CG2-CE1 4.24Å; T222-Y243 HydrophobicContact CG2-CE2 3.32Å; Y243-V245 HydrophobicContact CD2-CG1 4.15Å; Y243-V245 HydrophobicContact CE2-CG1 4.44Å; Y243-E270 CarbonylContact O-C 3.48Å; Y243-E270 WeakPolarHBondContact O-CA 3.24Å; Y243-E270 WeakPolarHBondContact O-CG 3.38Å; Y243-G271 PolarHBondContact N-O 2.77Å; Y243-G271 VanDerWaalsContact N-O 3.07Å; Y243-G271 PolarHBondContact O-N 2.72Å; Y243-I297 HydrophobicContact CE2-CD1 4.07Å; Y243-C337 CarbonylContact C-O 3.52Å; Y243-C337 VanDerWaalsContact CA-O 3.26Å; Y243-C337 WeakPolarHBondContact CA-O 3.34Å; Y243-C337 WeakPolarHBondContact CB-O 3.16Å; Y243-L345 HydrophobicContact CD2-CD2 4.09Å; Y243-L345 HydrophobicContact CG-CD2 4.1Å
244	A	92.4	Very high	76.4	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.7	169.8	0	0	0	0	0	110.9	V269 E270 L279 C337	A244-V269 VanDerWaalsContact CA-O 3.29Å; A244-V269 WeakPolarHBondContact CA-O 3.48Å; A244-E270 HydrophobicContact CB-CB 4.44Å; A244-L279 HydrophobicContact CB-CD1 4.22Å; A244-C337 HydrophobicContact CB-CB 3.91Å; A244-C337 PolarHBondContact N-O 3.17Å; A244-C337 PolarHBondContact O-N 3.26Å
245	V	95.7	Very high	78.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.7	176.6	-62.7	0	0	0	0	109.6	V220 T222 Y243 A268 V269 I297 F310 L345	V220-V245 HydrophobicContact CB-CG1 4.06Å; V220-V245 HydrophobicContact CG1-CG1 3.72Å; V220-V245 HydrophobicContact CG2-CG1 4.43Å; T222-V245 HydrophobicContact CG2-CG1 4.42Å; Y243-V245 HydrophobicContact CD2-CG1 4.15Å; Y243-V245 HydrophobicContact CE2-CG1 4.44Å; V245-A268 VanDerWaalsContact O-CA 3.31Å; V245-A268 WeakPolarHBondContact O-CA 3.24Å; V245-A268 WeakPolarHBondContact O-CB 3.5Å; V245-V269 HydrophobicContact CG2-CG2 3.64Å; V245-V269 PolarHBondContact N-O 2.99Å; V245-V269 PolarHBondContact O-N 3.08Å; V245-I297 HydrophobicContact CG2-CB 3.98Å; V245-I297 HydrophobicContact CG2-CD1 3.64Å; V245-I297 HydrophobicContact CG2-CG1 4.4Å; V245-I297 HydrophobicContact CG2-CG2 3.8Å; V245-F310 WeakPolarHBondContact O-CE1 3.37Å; V245-L345 HydrophobicContact CG1-CD1 3.97Å; V245-L345 HydrophobicContact CG1-CD2 4.33Å
246	G	95.8	Very high	81.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-142.1	177.9	0	0	0	0	0	113.6	W218 W267 L335	W218-G246 WeakPolarHBondContact CZ2-O 3.47Å; G246-W267 CarbonylContact C-O 3.48Å; G246-W267 VanDerWaalsContact CA-O 3.31Å; G246-W267 WeakPolarHBondContact CA-O 3.42Å; G246-L335 PolarHBondContact N-O 3Å; G246-L335 PolarHBondContact O-N 2.94Å
247	A	96.6	Very high	83.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.3	-175.9	0	0	0	0	0	110.7	W218 W267 V308 V332 F333	W218-A247 HydrophobicContact CH2-CB 3.98Å; W218-A247 HydrophobicContact CZ2-CB 3.94Å; A247-W267 HydrophobicContact CB-CE3 4.41Å; A247-W267 PolarHBondContact N-O 2.81Å; A247-W267 PolarHBondContact O-N 2.83Å; A247-V308 HydrophobicContact CB-CG1 4.16Å; A247-V332 HydrophobicContact CB-CG1 3.65Å; A247-F333 CarbonylContact C-O 3.56Å; A247-F333 VanDerWaalsContact CA-O 3.23Å; A247-F333 WeakPolarHBondContact CA-O 3.13Å
248	A	96.9	Very high	85.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.9	174.4	0	0	0	0	0	111	L206 V252 A265 V332 F333 L335	L206-A248 HydrophobicContact CD2-CB 3.85Å; A248-V252 HydrophobicContact CB-CB 4.29Å; A248-V252 HydrophobicContact CB-CG1 4.1Å; A248-V252 HydrophobicContact CB-CG2 4.48Å; A248-A265 CarbonylContact C-O 3.55Å; A248-A265 VanDerWaalsContact CA-O 3.26Å; A248-A265 WeakPolarHBondContact CA-O 3.31Å; A248-V332 CarbonylContact O-C 3.5Å; A248-V332 WeakPolarHBondContact O-CA 3.37Å; A248-F333 PolarHBondContact N-O 3.29Å; A248-F333 PolarHBondContact O-N 3.03Å; A248-L335 HydrophobicContact CB-CB 4.07Å; A248-L335 HydrophobicContact CB-CD1 4.4Å; A248-L335 HydrophobicContact CB-CD2 4.26Å; A248-L335 HydrophobicContact CB-CG 4.47Å
249	G	94.9	Very high	87	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	159.2	170.2	0	0	0	0	0	111.9	S251 V252 A265 R331	G249-S251 PolarHBondContact O-N 2.79Å; G249-V252 WeakPolarHBondContact O-CB 3.36Å; G249-V252 WeakPolarHBondContact O-CG1 3.45Å; G249-V252 PolarHBondContact O-N 3.46Å; G249-A265 PolarHBondContact N-O 3.49Å; G249-R331 CarbonylContact C-O 3.57Å
250	E	93.4	Very high	88.7	Confident	107 Å²	107	44.4 Å²	44.4	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-36	173.9	-170.5	162.7	-148	0	0	111.9	V252 E330 R331 F333	E250-V252 PolarHBondContact O-N 2.82Å; E250-E330 PolarHBondContact N-OE2 3.14Å; E250-R331 HydrophobicContact CB-CB 4.23Å; E250-R331 PolarHBondContact N-O 2.82Å; E250-R331 WeakPolarHBondContact OE2-CB 3.45Å; E250-F333 HydrophobicContact CB-CE2 3.89Å; E250-F333 HydrophobicContact CG-CE2 4.12Å
251	S	91.9	Very high	90	Very high	81 Å²	81	39 Å²	39	57%	0.566	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.4	179.8	65.5	0	0	0	0	115	G249 T253 E330	G249-S251 PolarHBondContact O-N 2.79Å; S251-T253 PolarHBondContact O-N 3Å; S251-E330 WeakPolarHBondContact CB-OE2 3.38Å; S251-E330 PolarHBondContact N-OE2 2.7Å; S251-E330 VanDerWaalsContact OG-CD 3.29Å; S251-E330 PolarHBondContact OG-OE1 3.08Å; S251-E330 PolarHBondContact OG-OE2 3.05Å
252	V	94	Very high	90.9	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.042	21%	0.21	C	C	.	.			trans	-55	128	-179.5	70.1	0	0	0	0	110.8	F199 A248 G249 E250 R254 V266	F199-V252 HydrophobicContact CZ-CG1 4.26Å; A248-V252 HydrophobicContact CB-CB 4.29Å; A248-V252 HydrophobicContact CB-CG1 4.1Å; A248-V252 HydrophobicContact CB-CG2 4.48Å; G249-V252 WeakPolarHBondContact O-CB 3.36Å; G249-V252 WeakPolarHBondContact O-CG1 3.45Å; G249-V252 PolarHBondContact O-N 3.46Å; E250-V252 PolarHBondContact O-N 2.82Å; V252-R254 WeakPolarHBondContact O-CD 3.42Å; V252-R254 PolarHBondContact O-N 2.99Å; V252-R254 PolarHBondContact O-NE 3.06Å; V252-R254 VanDerWaalsContact O-NE 3.09Å; V252-V266 HydrophobicContact CG2-CG2 3.67Å
253	T	93.4	Very high	91.1	Very high	62 Å²	62	40.4 Å²	40.4	38%	0.38	22%	0.221	S	C	.	.			trans	-58.3	133.1	177.4	-61.9	0	0	0	0	109.7	S251 K255 I258	S251-T253 PolarHBondContact O-N 3Å; T253-K255 VanDerWaalsContact CG2-O 3.24Å; T253-K255 WeakPolarHBondContact CG2-O 3.24Å; T253-I258 HydrophobicContact CG2-CG1 4.19Å; T253-I258 WeakPolarHBondContact O-CD1 3.32Å; T253-I258 WeakPolarHBondContact O-CG1 3.31Å
254	R	93.1	Very high	90.9	Very high	38 Å²	38	42.7 Å²	42.7	14%	0.143	23%	0.233	C	C	.	.			trans	-101.8	-18.1	-179.4	-53.1	-54.2	175	136.7	3.6	113.9	F199 D200 L206 V252	F199-R254 WeakPolarHBondContact CA-O 3.38Å; F199-R254 VanDerWaalsContact CE1-CD 3.48Å; F199-R254 VanDerWaalsContact CE2-NH1 3.28Å; D200-R254 PolarHBondContact N-O 2.97Å; L206-R254 VanDerWaalsContact CD1-CZ 3.41Å; L206-R254 VanDerWaalsContact CG-NH1 3.35Å; V252-R254 WeakPolarHBondContact O-CD 3.42Å; V252-R254 PolarHBondContact O-N 2.99Å; V252-R254 PolarHBondContact O-NE 3.06Å; V252-R254 VanDerWaalsContact O-NE 3.09Å
255	K	93.7	Very high	90.9	Very high	70 Å²	70	43 Å²	43	30%	0.304	24%	0.235	S	C	.	.	S	Bend	trans	-120.5	138.7	-169.9	-57.3	-59.2	-179.8	-177.2	0	111.2	D194 S195 R198 D200 T253	D194-K255 IonicContact OD1-NZ 3.04Å; D194-K255 PolarHBondContact OD1-NZ 2.86Å; D194-K255 IonicContact OD2-NZ 3.19Å; D194-K255 PolarHBondContact OD2-NZ 2.82Å; D194-K255 VanDerWaalsContact OD2-NZ 3.13Å; S195-K255 WeakPolarHBondContact O-CE 3.39Å; S195-K255 PolarHBondContact O-NZ 2.8Å; R198-K255 VanDerWaalsContact O-CE 3.29Å; R198-K255 WeakPolarHBondContact O-CE 3.37Å; R198-K255 PolarHBondContact O-NZ 3.01Å; D200-K255 HydrophobicContact CB-CD 3.95Å; D200-K255 VanDerWaalsContact OD1-CA 3.26Å; D200-K255 WeakPolarHBondContact OD1-CA 3.41Å; T253-K255 VanDerWaalsContact CG2-O 3.24Å; T253-K255 WeakPolarHBondContact CG2-O 3.24Å
256	G	89.4	Confident	90.8	Very high	28 Å²	28	43 Å²	43	29%	0.289	24%	0.235	S	C	.	.	S	Bend	trans	76.8	-167	-178.9	0	0	0	0	0	113.9	D200 I258	D200-G256 PolarHBondContact OD1-N 2.92Å; D200-G256 PolarHBondContact OD2-N 2.81Å; G256-I258 PolarHBondContact O-N 3.41Å
257	L	83.9	Confident	90.8	Very high	173 Å²	173	44.1 Å²	44.1	91%	0.906	24%	0.239	S	C	*	.			trans	-74.5	116.8	-176.9	-172.6	68.7	0	0	0	110.6
258	I	84.6	Confident	90.7	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.087	24%	0.239	C	C	.	.			trans	-104.3	127.4	-178.6	-58.5	149.8	0	0	0	108.9	F199 L202 T253 G256	F199-I258 HydrophobicContact CD1-CD1 3.77Å; F199-I258 HydrophobicContact CE1-CD1 3.98Å; L202-I258 HydrophobicContact CB-CD1 3.92Å; L202-I258 HydrophobicContact CD2-CD1 4.09Å; T253-I258 HydrophobicContact CG2-CG1 4.19Å; T253-I258 WeakPolarHBondContact O-CD1 3.32Å; T253-I258 WeakPolarHBondContact O-CG1 3.31Å; G256-I258 PolarHBondContact O-N 3.41Å
259	K	82.6	Confident	90.6	Very high	105 Å²	105	44.1 Å²	44.1	46%	0.457	24%	0.239	S	C	.	.			trans	-79.9	120.8	169.2	-171.7	176.9	177.2	166.8	0	108.8	C261 E264 P282	K259-C261 VanDerWaalsContact CD-SG 3.56Å; K259-C261 HydrophobicContact CG-CB 4.47Å; K259-C261 VanDerWaalsContact CG-SG 3.58Å; K259-C261 PolarHBondContact O-N 2.8Å; K259-E264 HydrophobicContact CB-CG 4.07Å; K259-E264 VanDerWaalsContact O-CB 3.27Å; K259-E264 WeakPolarHBondContact O-CB 3.47Å; K259-E264 VanDerWaalsContact O-CG 3.3Å; K259-E264 WeakPolarHBondContact O-CG 3.39Å; K259-P282 PolarHBondContact NZ-O 3.07Å
260	L	86.8	Confident	90.5	Very high	34 Å²	34	46 Å²	46	18%	0.178	25%	0.248	C	C	.	.			trans	-77.2	91.1	175	-57.3	179	0	0	0	109	L202 V266 L279	L202-L260 HydrophobicContact CD1-CD1 4.26Å; L202-L260 HydrophobicContact CD1-CD2 4.06Å; L202-L260 HydrophobicContact CD1-CG 4.46Å; L202-L260 HydrophobicContact CD2-CD2 3.74Å; L260-V266 HydrophobicContact CB-CG1 4.24Å; L260-V266 HydrophobicContact CD2-CG1 4.09Å; L260-V266 HydrophobicContact CD2-CG2 4.39Å; L260-L279 HydrophobicContact CB-CB 4.4Å; L260-L279 HydrophobicContact CB-CD1 3.56Å; L260-L279 HydrophobicContact CB-CG 4.49Å; L260-L279 HydrophobicContact CD1-CD1 3.71Å; L260-L279 HydrophobicContact CG-CD1 4.28Å; L260-L279 WeakPolarHBondContact O-CB 3.33Å
261	C	88.1	Confident	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-160.1	167.4	172.4	61.9	0	0	0	0	111.6	K259 S263 E264 V266 L279 A281	K259-C261 VanDerWaalsContact CD-SG 3.56Å; K259-C261 HydrophobicContact CG-CB 4.47Å; K259-C261 VanDerWaalsContact CG-SG 3.58Å; K259-C261 PolarHBondContact O-N 2.8Å; C261-S263 PolarHBondContact O-N 2.78Å; C261-S263 PolarHBondContact SG-OG 2.8Å; C261-E264 PolarHBondContact O-N 3.41Å; C261-V266 CarbonylContact C-O 3.49Å; C261-V266 PolarHBondContact O-N 2.98Å; C261-V266 VanDerWaalsContact O-N 3.17Å; C261-L279 WeakPolarHBondContact CA-O 3.47Å; C261-A281 HydrophobicContact CB-CB 3.99Å
262	P	87.5	Confident	89.9	Confident	35 Å²	35	42.8 Å²	42.8	23%	0.227	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.3	-176.2	-31.2	37.8	0	0	0	115.1	E264 A265 V266 L279 F322	P262-E264 PolarHBondContact O-N 3.19Å; P262-A265 PolarHBondContact O-N 2.71Å; P262-V266 VanDerWaalsContact CA-O 3.3Å; P262-V266 WeakPolarHBondContact CA-O 3.46Å; P262-L279 WeakPolarHBondContact CD-O 3.11Å; P262-F322 HydrophobicContact CG-CD1 3.54Å; P262-F322 HydrophobicContact CG-CE1 3.63Å
263	S	86.9	Confident	89.2	Confident	64 Å²	64	45.3 Å²	45.3	45%	0.448	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.6	-21.2	178.1	58	0	0	0	0	113.7	C261	C261-S263 PolarHBondContact O-N 2.78Å; C261-S263 PolarHBondContact SG-OG 2.8Å
264	E	86.6	Confident	88.5	Confident	74 Å²	74	44.7 Å²	44.7	35%	0.346	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-102.4	22.8	173.9	-59.6	-56.8	141.7	0	0	111.3	K259 C261 P262 V266	K259-E264 HydrophobicContact CB-CG 4.07Å; K259-E264 VanDerWaalsContact O-CB 3.27Å; K259-E264 WeakPolarHBondContact O-CB 3.47Å; K259-E264 VanDerWaalsContact O-CG 3.3Å; K259-E264 WeakPolarHBondContact O-CG 3.39Å; C261-E264 PolarHBondContact O-N 3.41Å; P262-E264 PolarHBondContact O-N 3.19Å; E264-V266 VanDerWaalsContact C-N 3.28Å; E264-V266 PolarHBondContact O-N 3.44Å
265	A	92.3	Very high	88.2	Confident	7 Å²	7	49.8 Å²	49.8	6%	0.058	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	33.8	-177.3	0	0	0	0	0	114.1	A248 G249 P262 W267 E330	A248-A265 CarbonylContact C-O 3.55Å; A248-A265 VanDerWaalsContact CA-O 3.26Å; A248-A265 WeakPolarHBondContact CA-O 3.31Å; G249-A265 PolarHBondContact N-O 3.49Å; P262-A265 PolarHBondContact O-N 2.71Å; A265-W267 HydrophobicContact CB-CH2 4.22Å; A265-W267 WeakPolarHBondContact O-CZ3 3.45Å; A265-E330 WeakPolarHBondContact CB-OE1 3.22Å
266	V	93.3	Very high	88	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	175.4	177.1	0	0	0	0	110.8	V252 L260 C261 P262 E264 A268 L335	V252-V266 HydrophobicContact CG2-CG2 3.67Å; L260-V266 HydrophobicContact CB-CG1 4.24Å; L260-V266 HydrophobicContact CD2-CG1 4.09Å; L260-V266 HydrophobicContact CD2-CG2 4.39Å; C261-V266 CarbonylContact C-O 3.49Å; C261-V266 PolarHBondContact O-N 2.98Å; C261-V266 VanDerWaalsContact O-N 3.17Å; P262-V266 VanDerWaalsContact CA-O 3.3Å; P262-V266 WeakPolarHBondContact CA-O 3.46Å; E264-V266 VanDerWaalsContact C-N 3.28Å; E264-V266 PolarHBondContact O-N 3.44Å; V266-A268 HydrophobicContact CG1-CB 4.13Å; V266-L335 HydrophobicContact CG1-CD2 3.65Å; V266-L335 HydrophobicContact CG2-CD2 4.47Å
267	W	96.1	Very high	88.1	Confident	24 Å²	24	49 Å²	49	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	101.7	174.4	-54.3	-84.1	0	0	0	108.4	G246 A247 A265 V308 F310 F322 L328 V332	G246-W267 CarbonylContact C-O 3.48Å; G246-W267 VanDerWaalsContact CA-O 3.31Å; G246-W267 WeakPolarHBondContact CA-O 3.42Å; A247-W267 HydrophobicContact CB-CE3 4.41Å; A247-W267 PolarHBondContact N-O 2.81Å; A247-W267 PolarHBondContact O-N 2.83Å; A265-W267 HydrophobicContact CB-CH2 4.22Å; A265-W267 WeakPolarHBondContact O-CZ3 3.45Å; W267-V308 HydrophobicContact CB-CB 3.99Å; W267-V308 HydrophobicContact CB-CG1 4Å; W267-V308 HydrophobicContact CB-CG2 4.09Å; W267-V308 HydrophobicContact CD2-CG2 4.21Å; W267-V308 HydrophobicContact CE3-CG2 4.45Å; W267-V308 HydrophobicContact CG-CB 4.34Å; W267-V308 HydrophobicContact CG-CG2 4.05Å; W267-F310 WeakPolarHBondContact O-CZ 3.37Å; W267-F322 HydrophobicContact CB-CD2 3.91Å; W267-F322 HydrophobicContact CB-CE2 4.23Å; W267-F322 HydrophobicContact CB-CG 4.2Å; W267-F322 AromaticContact CD1-CD1 3.95Å; W267-F322 AromaticContact CD1-CG 3.71Å; W267-F322 HydrophobicContact CG-CB 4.41Å; W267-F322 HydrophobicContact CG-CG 4.35Å; W267-L328 HydrophobicContact CH2-CD2 3.92Å; W267-L328 HydrophobicContact CZ2-CD2 3.62Å; W267-V332 HydrophobicContact CZ3-CG1 4.49Å; W267-V332 HydrophobicContact CZ3-CG2 4.33Å
268	A	95.9	Very high	88.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160.2	-173.2	0	0	0	0	0	112.8	V245 V266 L279	V245-A268 VanDerWaalsContact O-CA 3.31Å; V245-A268 WeakPolarHBondContact O-CA 3.24Å; V245-A268 WeakPolarHBondContact O-CB 3.5Å; V266-A268 HydrophobicContact CG1-CB 4.13Å; A268-L279 HydrophobicContact CB-CD1 3.96Å; A268-L279 WeakPolarHBondContact O-CB 3.46Å; A268-L279 PolarHBondContact O-N 2.8Å
269	V	94.7	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.8	167.1	-62.2	0	0	0	0	109.4	A244 V245 L276 W277 L287 I297 F310	A244-V269 VanDerWaalsContact CA-O 3.29Å; A244-V269 WeakPolarHBondContact CA-O 3.48Å; V245-V269 HydrophobicContact CG2-CG2 3.64Å; V245-V269 PolarHBondContact N-O 2.99Å; V245-V269 PolarHBondContact O-N 3.08Å; V269-L276 HydrophobicContact CB-CD1 4.29Å; V269-L276 HydrophobicContact CB-CG 4.43Å; V269-L276 HydrophobicContact CG2-CD1 4.25Å; V269-W277 CarbonylContact C-O 2.92Å; V269-W277 WeakPolarHBondContact CA-O 3.46Å; V269-W277 WeakPolarHBondContact CB-O 3.33Å; V269-L287 HydrophobicContact CG1-CD1 3.85Å; V269-I297 HydrophobicContact CG2-CD1 4.03Å; V269-I297 HydrophobicContact CG2-CG2 4.24Å; V269-F310 HydrophobicContact CB-CD1 4.32Å; V269-F310 HydrophobicContact CG1-CB 4.14Å; V269-F310 HydrophobicContact CG1-CD1 3.8Å; V269-F310 HydrophobicContact CG1-CD2 3.88Å; V269-F310 HydrophobicContact CG1-CE1 4.17Å; V269-F310 HydrophobicContact CG1-CE2 4.29Å; V269-F310 HydrophobicContact CG1-CG 3.63Å; V269-F310 HydrophobicContact CG1-CZ 4.42Å; V269-F310 HydrophobicContact CG2-CD1 3.6Å; V269-F310 HydrophobicContact CG2-CE1 3.93Å; V269-F310 HydrophobicContact CG2-CG 4.23Å
270	E	91.6	Very high	89.1	Confident	38 Å²	38	36.4 Å²	36.4	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	-179.3	179	-177.9	-117.9	0	0	110.5	Y243 A244 R272 L276 W277 L279	Y243-E270 CarbonylContact O-C 3.48Å; Y243-E270 WeakPolarHBondContact O-CA 3.24Å; Y243-E270 WeakPolarHBondContact O-CG 3.38Å; A244-E270 HydrophobicContact CB-CB 4.44Å; E270-R272 HydrophobicContact CG-CB 4.34Å; E270-L276 CarbonylContact O-C 3.47Å; E270-L276 WeakPolarHBondContact O-CA 3.23Å; E270-W277 PolarHBondContact N-O 3.08Å; E270-W277 PolarHBondContact O-N 2.89Å; E270-L279 HydrophobicContact CB-CD1 4.2Å; E270-L279 HydrophobicContact CB-CD2 3.74Å; E270-L279 HydrophobicContact CB-CG 4.08Å
271	G	88.5	Confident	88.9	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.4	166.4	0	0	0	0	0	109.7	C242 Y243 R275	C242-G271 WeakPolarHBondContact CA-O 3.38Å; Y243-G271 PolarHBondContact N-O 2.77Å; Y243-G271 VanDerWaalsContact N-O 3.07Å; Y243-G271 PolarHBondContact O-N 2.72Å; G271-R275 WeakPolarHBondContact CA-O 3.48Å
272	R	83.9	Confident	88.5	Confident	119 Å²	119	42.6 Å²	42.6	45%	0.449	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	129.7	179.3	-178.2	178.3	171.1	-174.8	-3.3	110.5	E240 C242 E270 G274 R275	E240-R272 HydrophobicContact CB-CG 4.47Å; E240-R272 IonicContact OE1-NH2 3.82Å; E240-R272 IonicContact OE2-CZ 3.09Å; E240-R272 IonicContact OE2-NE 2.64Å; E240-R272 PolarHBondContact OE2-NE 2.69Å; E240-R272 IonicContact OE2-NH2 2.7Å; E240-R272 PolarHBondContact OE2-NH2 2.83Å; C242-R272 HydrophobicContact CB-CG 4.49Å; E270-R272 HydrophobicContact CG-CB 4.34Å; R272-G274 VanDerWaalsContact C-N 3.31Å; R272-G274 PolarHBondContact O-N 3.24Å; R272-R275 PolarHBondContact N-O 3.26Å; R272-R275 PolarHBondContact O-N 3.09Å
273	G	79.2	Confident	88.3	Confident	60 Å²	60	48 Å²	48	62%	0.619	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	37.6	176.3	0	0	0	0	0	114.2	R275	G273-R275 PolarHBondContact O-N 2.81Å
274	G	80.5	Confident	88.3	Confident	48 Å²	48	48 Å²	48	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	17.4	-177.8	0	0	0	0	0	114.3	R272 P293	R272-G274 VanDerWaalsContact C-N 3.31Å; R272-G274 PolarHBondContact O-N 3.24Å; G274-P293 WeakPolarHBondContact O-CD 3.34Å
275	R	86.4	Confident	88.4	Confident	146 Å²	146	47.5 Å²	47.5	55%	0.551	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.8	175.6	-65.7	-177.2	-177.3	-170.6	2	110.4	G271 R272 G273 L286	G271-R275 WeakPolarHBondContact CA-O 3.48Å; R272-R275 PolarHBondContact N-O 3.26Å; R272-R275 PolarHBondContact O-N 3.09Å; G273-R275 PolarHBondContact O-N 2.81Å; R275-L286 HydrophobicContact CB-CD1 3.88Å; R275-L286 HydrophobicContact CG-CD1 4.35Å
276	L	89.1	Confident	88.2	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.9	178	-167	75.1	0	0	0	110	V269 E270 L287 P293 I297 L319	V269-L276 HydrophobicContact CB-CD1 4.29Å; V269-L276 HydrophobicContact CB-CG 4.43Å; V269-L276 HydrophobicContact CG2-CD1 4.25Å; E270-L276 CarbonylContact O-C 3.47Å; E270-L276 WeakPolarHBondContact O-CA 3.23Å; L276-L287 HydrophobicContact CB-CB 4.34Å; L276-L287 HydrophobicContact CD2-CB 4.38Å; L276-L287 HydrophobicContact CD2-CD1 3.83Å; L276-L287 HydrophobicContact CG-CD1 4.05Å; L276-L287 WeakPolarHBondContact O-CB 3.39Å; L276-L287 PolarHBondContact O-N 2.92Å; L276-P293 HydrophobicContact CB-CB 4.44Å; L276-P293 HydrophobicContact CD1-CB 4.48Å; L276-I297 HydrophobicContact CD1-CD1 4.09Å; L276-L319 HydrophobicContact CD2-CB 4.47Å; L276-L319 HydrophobicContact CD2-CD1 3.95Å
277	W	91.6	Very high	87.8	Confident	74 Å²	74	51.7 Å²	51.7	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.4	-177.4	-60.3	80.3	0	0	0	109.9	V269 E270 P284 T285 L286	V269-W277 CarbonylContact C-O 2.92Å; V269-W277 WeakPolarHBondContact CA-O 3.46Å; V269-W277 WeakPolarHBondContact CB-O 3.33Å; E270-W277 PolarHBondContact N-O 3.08Å; E270-W277 PolarHBondContact O-N 2.89Å; W277-P284 HydrophobicContact CB-CB 4.31Å; W277-P284 HydrophobicContact CE3-CB 4.01Å; W277-T285 CarbonylContact C-O 3.59Å; W277-T285 WeakPolarHBondContact CA-O 3.34Å; W277-L286 HydrophobicContact CD2-CB 4.25Å; W277-L286 HydrophobicContact CD2-CD1 3.93Å; W277-L286 HydrophobicContact CE3-CB 3.82Å; W277-L286 HydrophobicContact CE3-CD1 4.36Å; W277-L286 HydrophobicContact CG-CD1 4.44Å; W277-L286 HydrophobicContact CH2-CB 4.11Å; W277-L286 HydrophobicContact CH2-CD1 4.27Å; W277-L286 HydrophobicContact CZ2-CB 4.49Å; W277-L286 HydrophobicContact CZ2-CD1 3.82Å; W277-L286 HydrophobicContact CZ3-CB 3.76Å
278	A	92.9	Very high	86.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.3	163.2	0	0	0	0	0	108.9	T280 P284 T285 L287 F320 F322	A278-T280 HydrophobicContact CB-CG2 4.21Å; A278-T280 PolarHBondContact O-N 3.07Å; A278-T280 PolarHBondContact O-OG1 3.32Å; A278-P284 CarbonylContact O-C 3.5Å; A278-P284 VanDerWaalsContact O-CA 3.24Å; A278-P284 WeakPolarHBondContact O-CA 3.49Å; A278-T285 PolarHBondContact N-O 3.1Å; A278-T285 PolarHBondContact O-N 3.21Å; A278-L287 HydrophobicContact CB-CD1 4.05Å; A278-L287 HydrophobicContact CB-CD2 3.86Å; A278-L287 HydrophobicContact CB-CG 4.16Å; A278-F320 HydrophobicContact CB-CB 4.36Å; A278-F320 HydrophobicContact CB-CD1 3.52Å; A278-F320 HydrophobicContact CB-CD2 3.89Å; A278-F320 HydrophobicContact CB-CE1 3.66Å; A278-F320 HydrophobicContact CB-CE2 4Å; A278-F320 HydrophobicContact CB-CG 3.64Å; A278-F320 HydrophobicContact CB-CZ 3.9Å; A278-F322 HydrophobicContact CB-CZ 4.28Å
279	L	90.3	Very high	84.7	Confident	7 Å²	7	57 Å²	57	4%	0.037	35%	0.351	C	S	.	.			trans	-78.6	65.9	-178.1	-61.6	-178.3	0	0	0	111	A244 L260 C261 P262 A268 E270 P284	A244-L279 HydrophobicContact CB-CD1 4.22Å; L260-L279 HydrophobicContact CB-CB 4.4Å; L260-L279 HydrophobicContact CB-CD1 3.56Å; L260-L279 HydrophobicContact CB-CG 4.49Å; L260-L279 HydrophobicContact CD1-CD1 3.71Å; L260-L279 HydrophobicContact CG-CD1 4.28Å; L260-L279 WeakPolarHBondContact O-CB 3.33Å; C261-L279 WeakPolarHBondContact CA-O 3.47Å; P262-L279 WeakPolarHBondContact CD-O 3.11Å; A268-L279 HydrophobicContact CB-CD1 3.96Å; A268-L279 WeakPolarHBondContact O-CB 3.46Å; A268-L279 PolarHBondContact O-N 2.8Å; E270-L279 HydrophobicContact CB-CD1 4.2Å; E270-L279 HydrophobicContact CB-CD2 3.74Å; E270-L279 HydrophobicContact CB-CG 4.08Å; L279-P284 HydrophobicContact CD2-CB 4.38Å; L279-P284 HydrophobicContact CD2-CG 4.33Å
280	T	88.5	Confident	82.8	Confident	22 Å²	22	62.7 Å²	62.7	14%	0.135	40%	0.398	C	S	.	.			trans	-82.8	164.7	177.1	49.5	0	0	0	0	111.7	A278 E283 T285 F320 F322	A278-T280 HydrophobicContact CB-CG2 4.21Å; A278-T280 PolarHBondContact O-N 3.07Å; A278-T280 PolarHBondContact O-OG1 3.32Å; T280-E283 CarbonylContact C-O 3.56Å; T280-E283 CarbonylContact O-C 3.39Å; T280-E283 VanDerWaalsContact O-O 3.05Å; T280-E283 PolarHBondContact OG1-O 3.47Å; T280-T285 PolarHBondContact OG1-N 3.18Å; T280-T285 VanDerWaalsContact OG1-N 3.08Å; T280-T285 PolarHBondContact OG1-OG1 2.88Å; T280-F320 HydrophobicContact CG2-CE1 4.1Å; T280-F320 HydrophobicContact CG2-CZ 3.73Å; T280-F322 HydrophobicContact CG2-CE1 3.86Å; T280-F322 HydrophobicContact CG2-CZ 4.47Å
281	A	82.4	Confident	81.6	Confident	53 Å²	53	69.9 Å²	69.9	44%	0.438	42%	0.424	S	S	.	.	S	Bend	trans	-112	147.3	169.4	0	0	0	0	0	109.8	C261	C261-A281 HydrophobicContact CB-CB 3.99Å
282	P	80.7	Confident	80.8	Confident	111 Å²	111	73.9 Å²	73.9	72%	0.721	45%	0.449	S	S	*	.	S	Bend	cis	-73.7	-28.7	4.1	29.5	-34.8	0	0	0	114.2	K259	K259-P282 PolarHBondContact NZ-O 3.07Å
283	E	82.9	Confident	80.7	Confident	150 Å²	150	69.2 Å²	69.2	70%	0.701	43%	0.434	S	S	*	.	S	Bend	trans	-121.3	152.4	179.6	-65.9	-176.4	174.1	0	0	111.4	T280	T280-E283 CarbonylContact C-O 3.56Å; T280-E283 CarbonylContact O-C 3.39Å; T280-E283 VanDerWaalsContact O-O 3.05Å; T280-E283 PolarHBondContact OG1-O 3.47Å
284	P	86.3	Confident	81	Confident	63 Å²	63	67.1 Å²	67.1	41%	0.409	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-60.3	142.8	172.2	-23.2	34.8	0	0	0	112.6	W277 A278 L279	W277-P284 HydrophobicContact CB-CB 4.31Å; W277-P284 HydrophobicContact CE3-CB 4.01Å; A278-P284 CarbonylContact O-C 3.5Å; A278-P284 VanDerWaalsContact O-CA 3.24Å; A278-P284 WeakPolarHBondContact O-CA 3.49Å; L279-P284 HydrophobicContact CD2-CB 4.38Å; L279-P284 HydrophobicContact CD2-CG 4.33Å
285	T	88.2	Confident	81.3	Confident	63 Å²	63	69.3 Å²	69.3	39%	0.387	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.9	178	-60.5	0	0	0	0	109.7	W277 A278 T280 L287	W277-T285 CarbonylContact C-O 3.59Å; W277-T285 WeakPolarHBondContact CA-O 3.34Å; A278-T285 PolarHBondContact N-O 3.1Å; A278-T285 PolarHBondContact O-N 3.21Å; T280-T285 PolarHBondContact OG1-N 3.18Å; T280-T285 VanDerWaalsContact OG1-N 3.08Å; T280-T285 PolarHBondContact OG1-OG1 2.88Å; T285-L287 PolarHBondContact O-N 2.79Å
286	L	89.4	Confident	81.3	Confident	73 Å²	73	65.2 Å²	65.2	38%	0.382	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.3	173.3	-179.5	65.5	0	0	0	110.8	R275 W277	R275-L286 HydrophobicContact CB-CD1 3.88Å; R275-L286 HydrophobicContact CG-CD1 4.35Å; W277-L286 HydrophobicContact CD2-CB 4.25Å; W277-L286 HydrophobicContact CD2-CD1 3.93Å; W277-L286 HydrophobicContact CE3-CB 3.82Å; W277-L286 HydrophobicContact CE3-CD1 4.36Å; W277-L286 HydrophobicContact CG-CD1 4.44Å; W277-L286 HydrophobicContact CH2-CB 4.11Å; W277-L286 HydrophobicContact CH2-CD1 4.27Å; W277-L286 HydrophobicContact CZ2-CB 4.49Å; W277-L286 HydrophobicContact CZ2-CD1 3.82Å; W277-L286 HydrophobicContact CZ3-CB 3.76Å
287	L	83.7	Confident	81.4	Confident	23 Å²	23	64.9 Å²	64.9	12%	0.12	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.9	-179.2	-54.9	-178.6	0	0	0	110.7	V269 L276 A278 T285 F320	V269-L287 HydrophobicContact CG1-CD1 3.85Å; L276-L287 HydrophobicContact CB-CB 4.34Å; L276-L287 HydrophobicContact CD2-CB 4.38Å; L276-L287 HydrophobicContact CD2-CD1 3.83Å; L276-L287 HydrophobicContact CG-CD1 4.05Å; L276-L287 WeakPolarHBondContact O-CB 3.39Å; L276-L287 PolarHBondContact O-N 2.92Å; A278-L287 HydrophobicContact CB-CD1 4.05Å; A278-L287 HydrophobicContact CB-CD2 3.86Å; A278-L287 HydrophobicContact CB-CG 4.16Å; T285-L287 PolarHBondContact O-N 2.79Å; L287-F320 HydrophobicContact CD1-CB 3.78Å; L287-F320 HydrophobicContact CD1-CG 4.45Å; L287-F320 HydrophobicContact CD2-CB 3.92Å; L287-F320 HydrophobicContact CD2-CD2 3.49Å; L287-F320 VanDerWaalsContact CD2-CD2 3.49Å; L287-F320 HydrophobicContact CD2-CE2 4.29Å; L287-F320 HydrophobicContact CD2-CG 3.94Å
288	G	66.9	Low	81.3	Confident	70 Å²	70	61.5 Å²	61.5	72%	0.722	38%	0.377	S	S	*	.	S	Bend	trans	76.7	168.4	173.4	0	0	0	0	0	115.8
289	G	61.9	Low	81.3	Confident	66 Å²	66	61.5 Å²	61.5	68%	0.68	38%	0.377	S	S	*	.	S	Bend	trans	-85.8	-157.1	173.1	0	0	0	0	0	112.5	R291	G289-R291 PolarHBondContact O-N 2.8Å
290	A	53	Low	81.2	Confident	120 Å²	120	62.9 Å²	62.9	99%	0.992	38%	0.384	S	S	*	.	S	Bend	trans	-63.3	25.3	-174	0	0	0	0	0	117.3
291	R	66.3	Low	81	Confident	189 Å²	189	62 Å²	62	71%	0.713	38%	0.379	S	S	*	.	S	Bend	trans	-91.9	141	177.8	-163.8	175	-176.4	177.9	-1.4	109.5	G289	G289-R291 PolarHBondContact O-N 2.8Å
292	P	73.4	Confident	81	Confident	86 Å²	86	60.1 Å²	60.1	56%	0.558	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-62.2	154.4	176.2	25.4	-35.4	0	0	0	111.7
293	P	81.3	Confident	81.1	Confident	21 Å²	21	56.7 Å²	56.7	14%	0.136	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-60.9	145.7	174.4	-18.6	32.9	0	0	0	110.6	G274 L276	G274-P293 WeakPolarHBondContact O-CD 3.34Å; L276-P293 HydrophobicContact CB-CB 4.44Å; L276-P293 HydrophobicContact CD1-CB 4.48Å
294	P	84.2	Confident	81	Confident	17 Å²	17	54.7 Å²	54.7	11%	0.11	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.4	178	28.8	-34.5	0	0	0	111.2	T222 R296 I297 D312 L319	T222-P294 PolarHBondContact OG1-O 3.12Å; P294-R296 PolarHBondContact O-N 2.87Å; P294-I297 HydrophobicContact CG-CD1 4.38Å; P294-I297 HydrophobicContact CG-CG1 3.81Å; P294-D312 HydrophobicContact CB-CB 4.42Å; P294-D312 WeakPolarHBondContact CB-OD2 3.43Å; P294-L319 HydrophobicContact CG-CD1 3.79Å; P294-L319 HydrophobicContact CG-CD2 4.44Å
295	Q	87.4	Confident	80.5	Confident	93 Å²	93	59 Å²	59	44%	0.435	33%	0.333	S	S	.	.	S	Bend	trans	-75.2	-9	176.8	-68.3	-178.5	-11.3	0	0	113.6	E221 T222	E221-Q295 WeakPolarHBondContact CA-O 3.32Å; T222-Q295 PolarHBondContact N-O 3.03Å; T222-Q295 WeakPolarHBondContact OG1-CA 3.39Å; T222-Q295 PolarHBondContact OG1-O 3.39Å
296	R	87.7	Confident	80.1	Confident	61 Å²	61	56 Å²	56	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.4	175.1	-171	178.1	-71.5	-173	-2.7	108.1	E219 V220 E221 P294 G313	E219-R296 HydrophobicContact CB-CG 4.34Å; E219-R296 WeakPolarHBondContact OE2-CD 3.16Å; E219-R296 IonicContact OE2-NH1 2.69Å; V220-R296 WeakPolarHBondContact O-CA 3.35Å; E221-R296 IonicContact OE1-CZ 3.94Å; E221-R296 IonicContact OE1-NE 3.84Å; E221-R296 IonicContact OE1-NH2 2.81Å; E221-R296 PolarHBondContact OE1-NH2 3Å; P294-R296 PolarHBondContact O-N 2.87Å; R296-G313 PolarHBondContact O-N 3.32Å
297	I	91.1	Very high	80	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	177.9	-64.9	170.5	0	0	0	107.9	E219 V220 T222 Y243 V245 V269 L276 P294 F310 L319	E219-I297 WeakPolarHBondContact CA-O 3.46Å; V220-I297 PolarHBondContact N-O 2.81Å; V220-I297 PolarHBondContact O-N 3.24Å; T222-I297 HydrophobicContact CG2-CD1 4.23Å; Y243-I297 HydrophobicContact CE2-CD1 4.07Å; V245-I297 HydrophobicContact CG2-CB 3.98Å; V245-I297 HydrophobicContact CG2-CD1 3.64Å; V245-I297 HydrophobicContact CG2-CG1 4.4Å; V245-I297 HydrophobicContact CG2-CG2 3.8Å; V269-I297 HydrophobicContact CG2-CD1 4.03Å; V269-I297 HydrophobicContact CG2-CG2 4.24Å; L276-I297 HydrophobicContact CD1-CD1 4.09Å; P294-I297 HydrophobicContact CG-CD1 4.38Å; P294-I297 HydrophobicContact CG-CG1 3.81Å; I297-F310 HydrophobicContact CG2-CD1 3.98Å; I297-L319 HydrophobicContact CG1-CD1 4.44Å
298	R	89.1	Confident	80.4	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	172.6	177.6	-171.8	179.5	92.2	13.3	109.2	L155 C217 W218 E219 D300 F310 Y311	L155-R298 VanDerWaalsContact CD2-CZ 3.5Å; C217-R298 PolarHBondContact SG-NH2 2.78Å; W218-R298 WeakPolarHBondContact O-CA 3.5Å; E219-R298 HydrophobicContact CG-CB 3.93Å; E219-R298 HydrophobicContact CG-CG 4.01Å; E219-R298 IonicContact OE1-NH1 3.55Å; E219-R298 PolarHBondContact OE1-NH1 2.75Å; E219-R298 VanDerWaalsContact OE1-NH1 3.1Å; R298-D300 IonicContact CZ-OD1 3.62Å; R298-D300 IonicContact NE-OD1 3.67Å; R298-D300 PolarHBondContact NE-OD1 2.83Å; R298-D300 IonicContact NE-OD2 2.7Å; R298-D300 IonicContact NH2-OD1 3.25Å; R298-D300 PolarHBondContact NH2-OD1 2.93Å; R298-D300 VanDerWaalsContact NH2-OD1 3.14Å; R298-F310 CarbonylContact O-C 3.55Å; R298-F310 WeakPolarHBondContact O-CA 3.26Å; R298-Y311 PolarHBondContact N-O 3.18Å; R298-Y311 PolarHBondContact O-N 2.89Å
299	V	92.6	Very high	81.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.9	174.5	-170.7	0	0	0	0	108.7	C217 W218 V308 A309 F310	C217-V299 CarbonylContact C-O 3.55Å; C217-V299 WeakPolarHBondContact CA-O 3.36Å; W218-V299 HydrophobicContact CD2-CB 4.04Å; W218-V299 HydrophobicContact CD2-CG1 4.47Å; W218-V299 HydrophobicContact CG-CB 4.37Å; W218-V299 HydrophobicContact CH2-CG1 3.92Å; W218-V299 HydrophobicContact CZ2-CB 3.83Å; W218-V299 HydrophobicContact CZ2-CG1 3.43Å; W218-V299 VanDerWaalsContact CZ2-CG1 3.43Å; W218-V299 HydrophobicContact CZ2-CG2 4.49Å; W218-V299 PolarHBondContact N-O 3.18Å; W218-V299 PolarHBondContact O-N 2.97Å; V299-V308 HydrophobicContact CG1-CG1 3.97Å; V299-A309 CarbonylContact C-O 3.55Å; V299-A309 WeakPolarHBondContact CA-O 3.35Å; V299-F310 HydrophobicContact CG1-CE1 4.09Å; V299-F310 HydrophobicContact CG1-CZ 4.3Å; V299-F310 HydrophobicContact CG2-CD1 3.99Å; V299-F310 HydrophobicContact CG2-CE1 3.78Å
300	D	87.3	Confident	82.6	Confident	35 Å²	35	47.9 Å²	47.9	19%	0.187	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.1	175.9	-80	4.7	0	0	0	109.9	C217 R298 V308 A309 Y311	C217-D300 WeakPolarHBondContact CB-OD1 3.22Å; R298-D300 IonicContact CZ-OD1 3.62Å; R298-D300 IonicContact NE-OD1 3.67Å; R298-D300 PolarHBondContact NE-OD1 2.83Å; R298-D300 IonicContact NE-OD2 2.7Å; R298-D300 IonicContact NH2-OD1 3.25Å; R298-D300 PolarHBondContact NH2-OD1 2.93Å; R298-D300 VanDerWaalsContact NH2-OD1 3.14Å; D300-V308 CarbonylContact O-C 3.53Å; D300-V308 WeakPolarHBondContact O-CA 3.38Å; D300-A309 PolarHBondContact N-O 3.26Å; D300-A309 PolarHBondContact O-N 2.96Å; D300-Y311 HydrophobicContact CB-CD2 4.49Å; D300-Y311 HydrophobicContact CB-CE2 3.97Å
301	L	84.6	Confident	84	Confident	3 Å²	3	44 Å²	44	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123	175.6	173	64.3	0	0	0	109.5	F211 R215 H216 W218 V308 L328 V332	F211-L301 HydrophobicContact CB-CD2 3.85Å; F211-L301 HydrophobicContact CD2-CD2 3.88Å; F211-L301 HydrophobicContact CG-CD2 4.2Å; R215-L301 CarbonylContact C-O 3.41Å; R215-L301 WeakPolarHBondContact CA-O 3.44Å; H216-L301 HydrophobicContact CB-CB 4.4Å; H216-L301 PolarHBondContact N-O 3.19Å; H216-L301 PolarHBondContact O-N 3.04Å; W218-L301 HydrophobicContact CH2-CB 4.22Å; W218-L301 HydrophobicContact CZ3-CB 3.95Å; W218-L301 HydrophobicContact CZ3-CD2 4.41Å; L301-V308 HydrophobicContact CD1-CG2 3.93Å; L301-L328 HydrophobicContact CD1-CD1 3.47Å; L301-L328 VanDerWaalsContact CD1-CD1 3.47Å; L301-V332 HydrophobicContact CD1-CG1 4.25Å; L301-V332 HydrophobicContact CD2-CB 4.02Å; L301-V332 HydrophobicContact CD2-CG1 4.02Å
302	D	82.8	Confident	84.7	Confident	15 Å²	15	36.2 Å²	36.2	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	96.8	163.2	-171.6	-29.4	0	0	0	107.8	R215 E304 R305 G306 R307	R215-D302 HydrophobicContact CG-CB 4.16Å; R215-D302 IonicContact CZ-OD2 2.64Å; R215-D302 VanDerWaalsContact CZ-OD2 3.24Å; R215-D302 IonicContact NE-OD2 3.23Å; R215-D302 PolarHBondContact NE-OD2 2.79Å; R215-D302 IonicContact NH2-OD2 3.05Å; R215-D302 PolarHBondContact NH2-OD2 2.83Å; D302-E304 PolarHBondContact OD1-N 3.3Å; D302-R305 HydrophobicContact CB-CB 4.24Å; D302-R305 PolarHBondContact O-N 2.95Å; D302-R305 WeakPolarHBondContact OD1-CG 3.29Å; D302-R305 PolarHBondContact OD1-N 2.92Å; D302-R305 WeakPolarHBondContact OD2-CD 3.4Å; D302-R305 WeakPolarHBondContact OD2-CG 3.47Å; D302-G306 PolarHBondContact O-N 2.94Å; D302-R307 HydrophobicContact CB-CB 4.18Å; D302-R307 PolarHBondContact N-O 3.21Å; D302-R307 PolarHBondContact O-N 2.79Å
303	W	84	Confident	84.7	Confident	39 Å²	39	32.7 Å²	32.7	15%	0.148	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-42.8	-172.1	-172.5	95.2	0	0	0	111.8	A212 G214 R305 G306 P327 L328 E330	A212-W303 WeakPolarHBondContact O-CZ2 3.44Å; G214-W303 WeakPolarHBondContact O-CB 3.4Å; G214-W303 PolarHBondContact O-N 2.78Å; W303-R305 PolarHBondContact O-N 3.49Å; W303-G306 PolarHBondContact O-N 2.63Å; W303-P327 HydrophobicContact CE3-CB 4.18Å; W303-P327 HydrophobicContact CH2-CB 4.19Å; W303-P327 HydrophobicContact CZ3-CB 3.87Å; W303-P327 WeakPolarHBondContact O-CA 3.19Å; W303-L328 PolarHBondContact O-N 2.81Å; W303-E330 PolarHBondContact NE1-O 2.77Å
304	E	79.9	Confident	84.4	Confident	107 Å²	107	40.6 Å²	40.6	50%	0.5	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-37.8	-179.6	-66.2	-63.8	165.1	0	0	112	D302 G306 P327	D302-E304 PolarHBondContact OD1-N 3.3Å; E304-G306 VanDerWaalsContact C-N 3.31Å; E304-P327 WeakPolarHBondContact O-CG 3.19Å
305	R	74.7	Confident	83.8	Confident	153 Å²	153	42.4 Å²	42.4	58%	0.577	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.3	177.4	-60.7	-177	76.8	179.3	3.5	112.9	D302 W303 R307 Q323	D302-R305 HydrophobicContact CB-CB 4.24Å; D302-R305 PolarHBondContact O-N 2.95Å; D302-R305 WeakPolarHBondContact OD1-CG 3.29Å; D302-R305 PolarHBondContact OD1-N 2.92Å; D302-R305 WeakPolarHBondContact OD2-CD 3.4Å; D302-R305 WeakPolarHBondContact OD2-CG 3.47Å; W303-R305 PolarHBondContact O-N 3.49Å; R305-R307 VanDerWaalsContact C-N 3.3Å; R305-R307 PolarHBondContact O-N 2.87Å; R305-Q323 PolarHBondContact O-NE2 3.44Å
306	G	80.9	Confident	83	Confident	1 Å²	1	41 Å²	41	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	33.9	-177.7	0	0	0	0	0	113.8	D302 W303 E304 A324 R326	D302-G306 PolarHBondContact O-N 2.94Å; W303-G306 PolarHBondContact O-N 2.63Å; E304-G306 VanDerWaalsContact C-N 3.31Å; G306-A324 WeakPolarHBondContact O-CB 3.14Å; G306-A324 PolarHBondContact O-N 3.16Å; G306-R326 WeakPolarHBondContact CA-O 3.48Å
307	R	86.6	Confident	82.4	Confident	61 Å²	61	42.1 Å²	42.1	23%	0.23	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.3	-174.2	-170.3	179.7	179.5	-99	-0.9	111.1	D302 R305 Y311 F322	D302-R307 HydrophobicContact CB-CB 4.18Å; D302-R307 PolarHBondContact N-O 3.21Å; D302-R307 PolarHBondContact O-N 2.79Å; R305-R307 VanDerWaalsContact C-N 3.3Å; R305-R307 PolarHBondContact O-N 2.87Å; R307-Y311 PolarHBondContact NH1-OH 3.09Å; R307-Y311 VanDerWaalsContact NH1-OH 3.08Å; R307-Y311 PolarHBondContact NH2-OH 3.19Å; R307-F322 WeakPolarHBondContact CA-O 3.43Å; R307-F322 WeakPolarHBondContact CG-O 3.45Å
308	V	92.4	Very high	81.7	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.9	168.3	-174.8	0	0	0	0	107.8	A247 W267 V299 D300 L301 F310 A321 F322 L328	A247-V308 HydrophobicContact CB-CG1 4.16Å; W267-V308 HydrophobicContact CB-CB 3.99Å; W267-V308 HydrophobicContact CB-CG1 4Å; W267-V308 HydrophobicContact CB-CG2 4.09Å; W267-V308 HydrophobicContact CD2-CG2 4.21Å; W267-V308 HydrophobicContact CE3-CG2 4.45Å; W267-V308 HydrophobicContact CG-CB 4.34Å; W267-V308 HydrophobicContact CG-CG2 4.05Å; V299-V308 HydrophobicContact CG1-CG1 3.97Å; D300-V308 CarbonylContact O-C 3.53Å; D300-V308 WeakPolarHBondContact O-CA 3.38Å; L301-V308 HydrophobicContact CD1-CG2 3.93Å; V308-F310 HydrophobicContact CG1-CE2 3.89Å; V308-F310 HydrophobicContact CG1-CZ 3.99Å; V308-A321 CarbonylContact O-C 3.53Å; V308-A321 WeakPolarHBondContact O-CA 3.42Å; V308-F322 PolarHBondContact N-O 3.06Å; V308-F322 PolarHBondContact O-N 2.85Å; V308-L328 HydrophobicContact CG2-CD1 4.24Å
309	A	87.1	Confident	81.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.4	-174.5	0	0	0	0	0	112.6	V299 D300 Y311 L318 F320 A321	V299-A309 CarbonylContact C-O 3.55Å; V299-A309 WeakPolarHBondContact CA-O 3.35Å; D300-A309 PolarHBondContact N-O 3.26Å; D300-A309 PolarHBondContact O-N 2.96Å; A309-Y311 HydrophobicContact CB-CD2 4.45Å; A309-Y311 HydrophobicContact CB-CE2 3.57Å; A309-L318 HydrophobicContact CB-CD1 4.3Å; A309-F320 WeakPolarHBondContact CA-O 3.04Å; A309-A321 HydrophobicContact CB-CB 3.79Å
310	F	88	Confident	81.2	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.8	-173.2	-64.2	-90.4	0	0	0	108.8	V245 W267 V269 I297 R298 V299 V308 L319 F320 F322	V245-F310 WeakPolarHBondContact O-CE1 3.37Å; W267-F310 WeakPolarHBondContact O-CZ 3.37Å; V269-F310 HydrophobicContact CB-CD1 4.32Å; V269-F310 HydrophobicContact CG1-CB 4.14Å; V269-F310 HydrophobicContact CG1-CD1 3.8Å; V269-F310 HydrophobicContact CG1-CD2 3.88Å; V269-F310 HydrophobicContact CG1-CE1 4.17Å; V269-F310 HydrophobicContact CG1-CE2 4.29Å; V269-F310 HydrophobicContact CG1-CG 3.63Å; V269-F310 HydrophobicContact CG1-CZ 4.42Å; V269-F310 HydrophobicContact CG2-CD1 3.6Å; V269-F310 HydrophobicContact CG2-CE1 3.93Å; V269-F310 HydrophobicContact CG2-CG 4.23Å; I297-F310 HydrophobicContact CG2-CD1 3.98Å; R298-F310 CarbonylContact O-C 3.55Å; R298-F310 WeakPolarHBondContact O-CA 3.26Å; V299-F310 HydrophobicContact CG1-CE1 4.09Å; V299-F310 HydrophobicContact CG1-CZ 4.3Å; V299-F310 HydrophobicContact CG2-CD1 3.99Å; V299-F310 HydrophobicContact CG2-CE1 3.78Å; V308-F310 HydrophobicContact CG1-CE2 3.89Å; V308-F310 HydrophobicContact CG1-CZ 3.99Å; F310-L319 HydrophobicContact CB-CB 4.22Å; F310-L319 WeakPolarHBondContact O-CB 3.43Å; F310-L319 PolarHBondContact O-N 2.05Å; F310-F320 PolarHBondContact N-O 2.99Å; F310-F320 PolarHBondContact O-N 3.22Å; F310-F322 HydrophobicContact CD2-CD2 4.3Å; F310-F322 HydrophobicContact CD2-CE2 4.19Å; F310-F322 AromaticContact CE2-CD2 3.64Å; F310-F322 HydrophobicContact CE2-CD2 3.64Å; F310-F322 AromaticContact CE2-CE2 3.51Å; F310-F322 HydrophobicContact CE2-CE2 3.51Å; F310-F322 HydrophobicContact CZ-CE2 4.31Å
311	Y	82.4	Confident	81.1	Confident	39 Å²	39	51 Å²	51	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.5	179.5	-56.8	-98.1	0	0	0	110.3	R298 D300 R307 A309 G313 L316 D317 L318	R298-Y311 PolarHBondContact N-O 3.18Å; R298-Y311 PolarHBondContact O-N 2.89Å; D300-Y311 HydrophobicContact CB-CD2 4.49Å; D300-Y311 HydrophobicContact CB-CE2 3.97Å; R307-Y311 PolarHBondContact NH1-OH 3.09Å; R307-Y311 VanDerWaalsContact NH1-OH 3.08Å; R307-Y311 PolarHBondContact NH2-OH 3.19Å; A309-Y311 HydrophobicContact CB-CD2 4.45Å; A309-Y311 HydrophobicContact CB-CE2 3.57Å; Y311-G313 PolarHBondContact O-N 3.04Å; Y311-L316 WeakPolarHBondContact CD1-O 3.24Å; Y311-D317 CarbonylContact C-O 3.49Å; Y311-D317 WeakPolarHBondContact CA-O 3.26Å; Y311-L318 HydrophobicContact CD1-CB 4.01Å; Y311-L318 HydrophobicContact CD1-CD1 4.04Å; Y311-L318 HydrophobicContact CE1-CB 3.84Å; Y311-L318 HydrophobicContact CE1-CD1 3.55Å; Y311-L318 HydrophobicContact CE1-CG 4.29Å; Y311-L318 HydrophobicContact CE2-CD1 4.25Å
312	D	81	Confident	81.2	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	123.6	162.1	-176	-54.3	0	0	0	107.9	P294 R314 S315 L316 D317 L319	P294-D312 HydrophobicContact CB-CB 4.42Å; P294-D312 WeakPolarHBondContact CB-OD2 3.43Å; D312-R314 PolarHBondContact O-N 3.33Å; D312-R314 WeakPolarHBondContact OD1-CA 3.45Å; D312-R314 WeakPolarHBondContact OD1-CB 3.42Å; D312-R314 PolarHBondContact OD1-N 3.2Å; D312-S315 WeakPolarHBondContact CB-OG 3.3Å; D312-S315 PolarHBondContact OD1-N 3.42Å; D312-L316 WeakPolarHBondContact O-CA 2.92Å; D312-L316 PolarHBondContact O-N 3.3Å; D312-D317 HydrophobicContact CB-CB 4.43Å; D312-D317 PolarHBondContact N-O 3.23Å; D312-L319 HydrophobicContact CB-CD2 4.38Å
313	G	74.3	Confident	81.4	Confident	11 Å²	11	55.4 Å²	55.4	11%	0.113	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.7	-176.5	0	0	0	0	0	114.3	R296 Y311	R296-G313 PolarHBondContact O-N 3.32Å; Y311-G313 PolarHBondContact O-N 3.04Å
314	R	75.1	Confident	81.3	Confident	188 Å²	188	54.5 Å²	54.5	71%	0.709	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-54.1	176.2	-61.4	-173.1	-178.6	-151.8	5.5	111.7	D312	D312-R314 PolarHBondContact O-N 3.33Å; D312-R314 WeakPolarHBondContact OD1-CA 3.45Å; D312-R314 WeakPolarHBondContact OD1-CB 3.42Å; D312-R314 PolarHBondContact OD1-N 3.2Å
315	S	70.7	Confident	80.9	Confident	55 Å²	55	54.7 Å²	54.7	39%	0.385	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.8	-177.2	67.4	0	0	0	0	113.7	D312 D317	D312-S315 WeakPolarHBondContact CB-OG 3.3Å; D312-S315 PolarHBondContact OD1-N 3.42Å; S315-D317 WeakPolarHBondContact CB-OD2 3.4Å; S315-D317 PolarHBondContact O-N 2.81Å; S315-D317 WeakPolarHBondContact OG-CB 3.26Å; S315-D317 PolarHBondContact OG-N 2.67Å; S315-D317 PolarHBondContact OG-OD2 2.79Å
316	L	71.3	Confident	80.9	Confident	63 Å²	63	56 Å²	56	33%	0.33	28%	0.278	S	S	.	.			trans	60	21.2	-171	-56.3	174.4	0	0	0	113.4	V151 L155 Y311 D312 L318	V151-L316 HydrophobicContact CG1-CD1 4.17Å; L155-L316 HydrophobicContact CD1-CD1 3.72Å; L155-L316 HydrophobicContact CD1-CD2 4.4Å; Y311-L316 WeakPolarHBondContact CD1-O 3.24Å; D312-L316 WeakPolarHBondContact O-CA 2.92Å; D312-L316 PolarHBondContact O-N 3.3Å; L316-L318 PolarHBondContact O-N 3.13Å
317	D	74	Confident	80.7	Confident	85 Å²	85	58.8 Å²	58.8	46%	0.455	30%	0.296	S	S	.	.			trans	-66.4	132.9	171.4	-69.4	-39.9	0	0	0	109.8	Y311 D312 S315 L319	Y311-D317 CarbonylContact C-O 3.49Å; Y311-D317 WeakPolarHBondContact CA-O 3.26Å; D312-D317 HydrophobicContact CB-CB 4.43Å; D312-D317 PolarHBondContact N-O 3.23Å; S315-D317 WeakPolarHBondContact CB-OD2 3.4Å; S315-D317 PolarHBondContact O-N 2.81Å; S315-D317 WeakPolarHBondContact OG-CB 3.26Å; S315-D317 PolarHBondContact OG-N 2.67Å; S315-D317 PolarHBondContact OG-OD2 2.79Å; D317-L319 PolarHBondContact O-N 2.98Å
318	L	78.1	Confident	80.3	Confident	100 Å²	100	56.9 Å²	56.9	52%	0.524	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	117.4	175	178.7	69.4	0	0	0	109.6	A309 Y311 L316 A321	A309-L318 HydrophobicContact CB-CD1 4.3Å; Y311-L318 HydrophobicContact CD1-CB 4.01Å; Y311-L318 HydrophobicContact CD1-CD1 4.04Å; Y311-L318 HydrophobicContact CE1-CB 3.84Å; Y311-L318 HydrophobicContact CE1-CD1 3.55Å; Y311-L318 HydrophobicContact CE1-CG 4.29Å; Y311-L318 HydrophobicContact CE2-CD1 4.25Å; L316-L318 PolarHBondContact O-N 3.13Å; L318-A321 HydrophobicContact CD1-CB 4.34Å
319	L	82.1	Confident	79.7	Confident	46 Å²	46	60 Å²	60	24%	0.241	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-51	174.1	-55.2	173.6	0	0	0	110.3	L276 P294 I297 F310 D312 D317	L276-L319 HydrophobicContact CD2-CB 4.47Å; L276-L319 HydrophobicContact CD2-CD1 3.95Å; P294-L319 HydrophobicContact CG-CD1 3.79Å; P294-L319 HydrophobicContact CG-CD2 4.44Å; I297-L319 HydrophobicContact CG1-CD1 4.44Å; F310-L319 HydrophobicContact CB-CB 4.22Å; F310-L319 WeakPolarHBondContact O-CB 3.43Å; F310-L319 PolarHBondContact O-N 2.05Å; D312-L319 HydrophobicContact CB-CD2 4.38Å; D317-L319 PolarHBondContact O-N 2.98Å
320	F	87.8	Confident	79.9	Confident	45 Å²	45	62 Å²	62	20%	0.197	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	158.9	-179	-167.6	-103.1	0	0	0	111.8	A278 T280 L287 A309 F310 F322	A278-F320 HydrophobicContact CB-CB 4.36Å; A278-F320 HydrophobicContact CB-CD1 3.52Å; A278-F320 HydrophobicContact CB-CD2 3.89Å; A278-F320 HydrophobicContact CB-CE1 3.66Å; A278-F320 HydrophobicContact CB-CE2 4Å; A278-F320 HydrophobicContact CB-CG 3.64Å; A278-F320 HydrophobicContact CB-CZ 3.9Å; T280-F320 HydrophobicContact CG2-CE1 4.1Å; T280-F320 HydrophobicContact CG2-CZ 3.73Å; L287-F320 HydrophobicContact CD1-CB 3.78Å; L287-F320 HydrophobicContact CD1-CG 4.45Å; L287-F320 HydrophobicContact CD2-CB 3.92Å; L287-F320 HydrophobicContact CD2-CD2 3.49Å; L287-F320 VanDerWaalsContact CD2-CD2 3.49Å; L287-F320 HydrophobicContact CD2-CE2 4.29Å; L287-F320 HydrophobicContact CD2-CG 3.94Å; A309-F320 WeakPolarHBondContact CA-O 3.04Å; F310-F320 PolarHBondContact N-O 2.99Å; F310-F320 PolarHBondContact O-N 3.22Å; F320-F322 AromaticContact CD1-CD2 3.92Å; F320-F322 HydrophobicContact CD1-CD2 3.92Å; F320-F322 HydrophobicContact CD1-CE1 4.47Å; F320-F322 AromaticContact CD1-CE2 3.71Å; F320-F322 HydrophobicContact CD1-CE2 3.71Å; F320-F322 HydrophobicContact CD1-CG 4.4Å; F320-F322 HydrophobicContact CD1-CZ 4.01Å; F320-F322 AromaticContact CE1-CD1 3.84Å; F320-F322 HydrophobicContact CE1-CD1 3.84Å; F320-F322 AromaticContact CE1-CD2 3.9Å; F320-F322 HydrophobicContact CE1-CD2 3.9Å; F320-F322 AromaticContact CE1-CE1 3.73Å; F320-F322 HydrophobicContact CE1-CE1 3.73Å; F320-F322 AromaticContact CE1-CE2 3.78Å; F320-F322 HydrophobicContact CE1-CE2 3.78Å; F320-F322 AromaticContact CE1-CG 3.94Å; F320-F322 HydrophobicContact CE1-CG 3.94Å; F320-F322 AromaticContact CE1-CZ 3.7Å; F320-F322 HydrophobicContact CE1-CZ 3.7Å
321	A	86.3	Confident	80	Confident	34 Å²	34	67.2 Å²	67.2	28%	0.281	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.5	170.1	0	0	0	0	0	112.2	V308 A309 L318	V308-A321 CarbonylContact O-C 3.53Å; V308-A321 WeakPolarHBondContact O-CA 3.42Å; A309-A321 HydrophobicContact CB-CB 3.79Å; L318-A321 HydrophobicContact CD1-CB 4.34Å
322	F	86.3	Confident	80.5	Confident	17 Å²	17	65.4 Å²	65.4	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.2	164.4	-59.2	-92.2	0	0	0	109.4	P262 W267 A278 T280 R307 V308 F310 F320	P262-F322 HydrophobicContact CG-CD1 3.54Å; P262-F322 HydrophobicContact CG-CE1 3.63Å; W267-F322 HydrophobicContact CB-CD2 3.91Å; W267-F322 HydrophobicContact CB-CE2 4.23Å; W267-F322 HydrophobicContact CB-CG 4.2Å; W267-F322 AromaticContact CD1-CD1 3.95Å; W267-F322 AromaticContact CD1-CG 3.71Å; W267-F322 HydrophobicContact CG-CB 4.41Å; W267-F322 HydrophobicContact CG-CG 4.35Å; A278-F322 HydrophobicContact CB-CZ 4.28Å; T280-F322 HydrophobicContact CG2-CE1 3.86Å; T280-F322 HydrophobicContact CG2-CZ 4.47Å; R307-F322 WeakPolarHBondContact CA-O 3.43Å; R307-F322 WeakPolarHBondContact CG-O 3.45Å; V308-F322 PolarHBondContact N-O 3.06Å; V308-F322 PolarHBondContact O-N 2.85Å; F310-F322 HydrophobicContact CD2-CD2 4.3Å; F310-F322 HydrophobicContact CD2-CE2 4.19Å; F310-F322 AromaticContact CE2-CD2 3.64Å; F310-F322 HydrophobicContact CE2-CD2 3.64Å; F310-F322 AromaticContact CE2-CE2 3.51Å; F310-F322 HydrophobicContact CE2-CE2 3.51Å; F310-F322 HydrophobicContact CZ-CE2 4.31Å; F320-F322 AromaticContact CD1-CD2 3.92Å; F320-F322 HydrophobicContact CD1-CD2 3.92Å; F320-F322 HydrophobicContact CD1-CE1 4.47Å; F320-F322 AromaticContact CD1-CE2 3.71Å; F320-F322 HydrophobicContact CD1-CE2 3.71Å; F320-F322 HydrophobicContact CD1-CG 4.4Å; F320-F322 HydrophobicContact CD1-CZ 4.01Å; F320-F322 AromaticContact CE1-CD1 3.84Å; F320-F322 HydrophobicContact CE1-CD1 3.84Å; F320-F322 AromaticContact CE1-CD2 3.9Å; F320-F322 HydrophobicContact CE1-CD2 3.9Å; F320-F322 AromaticContact CE1-CE1 3.73Å; F320-F322 HydrophobicContact CE1-CE1 3.73Å; F320-F322 AromaticContact CE1-CE2 3.78Å; F320-F322 HydrophobicContact CE1-CE2 3.78Å; F320-F322 AromaticContact CE1-CG 3.94Å; F320-F322 HydrophobicContact CE1-CG 3.94Å; F320-F322 AromaticContact CE1-CZ 3.7Å; F320-F322 HydrophobicContact CE1-CZ 3.7Å
323	Q	86.6	Confident	81.2	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112.9	-177.5	-179.3	61.1	65.9	0	0	109.3	W127 R305	W127-Q323 WeakPolarHBondContact CZ3-O 3.38Å; R305-Q323 PolarHBondContact O-NE2 3.44Å
324	A	81	Confident	82.3	Confident	19 Å²	19	65 Å²	65	16%	0.157	34%	0.339	C	S	.	.			trans	-82.6	157	172.3	0	0	0	0	0	111.1	W127 G306 R326 L328	W127-A324 HydrophobicContact CH2-CB 4.25Å; G306-A324 WeakPolarHBondContact O-CB 3.14Å; G306-A324 PolarHBondContact O-N 3.16Å; A324-R326 WeakPolarHBondContact CB-O 3.41Å; A324-R326 PolarHBondContact O-N 2.78Å; A324-L328 HydrophobicContact CB-CD2 4.32Å
325	P	71.7	Confident	83.3	Confident	111 Å²	111	56.1 Å²	56.1	72%	0.721	31%	0.305	S	S	*	.	S	Bend	trans	-77.4	-11.2	177.5	36	-39.3	0	0	0	112.2	W127	W127-P325 HydrophobicContact CH2-CG 4.27Å; W127-P325 HydrophobicContact CZ3-CG 4.41Å
326	R	74.7	Confident	84.5	Confident	182 Å²	182	53.5 Å²	53.5	69%	0.687	29%	0.287	S	S	*	.	S	Bend	trans	-143.6	166	-173.4	-71.2	-172.8	-177.3	172.5	1.5	109.2	G306 A324	G306-R326 WeakPolarHBondContact CA-O 3.48Å; A324-R326 WeakPolarHBondContact CB-O 3.41Å; A324-R326 PolarHBondContact O-N 2.78Å
327	P	76.9	Confident	85.5	Confident	58 Å²	58	51 Å²	51	38%	0.377	28%	0.275	S	S	.	.			trans	-51.2	152.1	167.2	-20.6	27.5	0	0	0	111.4	W303 E304 G329	W303-P327 HydrophobicContact CE3-CB 4.18Å; W303-P327 HydrophobicContact CH2-CB 4.19Å; W303-P327 HydrophobicContact CZ3-CB 3.87Å; W303-P327 WeakPolarHBondContact O-CA 3.19Å; E304-P327 WeakPolarHBondContact O-CG 3.19Å; P327-G329 PolarHBondContact O-N 2.82Å; P327-G329 VanDerWaalsContact O-N 3.08Å
328	L	77.7	Confident	86.2	Confident	22 Å²	22	47 Å²	47	12%	0.115	25%	0.254	C	S	.	.			trans	-63.3	-19.8	-174.2	-65.3	167.9	0	0	0	113.1	W267 L301 W303 V308 A324 E330 V332	W267-L328 HydrophobicContact CH2-CD2 3.92Å; W267-L328 HydrophobicContact CZ2-CD2 3.62Å; L301-L328 HydrophobicContact CD1-CD1 3.47Å; L301-L328 VanDerWaalsContact CD1-CD1 3.47Å; W303-L328 PolarHBondContact O-N 2.81Å; V308-L328 HydrophobicContact CG2-CD1 4.24Å; A324-L328 HydrophobicContact CB-CD2 4.32Å; L328-E330 PolarHBondContact O-N 3.46Å; L328-V332 HydrophobicContact CB-CG2 4.11Å; L328-V332 HydrophobicContact CD1-CG2 3.64Å; L328-V332 HydrophobicContact CG-CG2 4.46Å
329	G	81.4	Confident	86.4	Confident	67 Å²	67	44.4 Å²	44.4	69%	0.691	24%	0.243	S	C	*	.			trans	73.2	-7.1	167.9	0	0	0	0	0	115.2	P327	P327-G329 PolarHBondContact O-N 2.82Å; P327-G329 VanDerWaalsContact O-N 3.08Å
330	E	89.6	Confident	86.1	Confident	42 Å²	42	42.6 Å²	42.6	20%	0.196	23%	0.233	C	C	.	.	S	Bend	trans	-136.8	168.2	175.2	66	-177.6	135.6	0	0	110.7	E250 S251 A265 W303 L328	E250-E330 PolarHBondContact N-OE2 3.14Å; S251-E330 WeakPolarHBondContact CB-OE2 3.38Å; S251-E330 PolarHBondContact N-OE2 2.7Å; S251-E330 VanDerWaalsContact OG-CD 3.29Å; S251-E330 PolarHBondContact OG-OE1 3.08Å; S251-E330 PolarHBondContact OG-OE2 3.05Å; A265-E330 WeakPolarHBondContact CB-OE1 3.22Å; W303-E330 PolarHBondContact NE1-O 2.77Å; L328-E330 PolarHBondContact O-N 3.46Å
331	R	90.5	Very high	85.1	Confident	109 Å²	109	44.7 Å²	44.7	41%	0.411	25%	0.251	S	S	.	.			trans	-70	139	173.1	-172.8	-174.3	-65.3	-117.2	9.5	109.7	G210 F211 A212 G249 E250 F333	G210-R331 PolarHBondContact O-NH1 2.85Å; F211-R331 CarbonylContact O-C 3.55Å; F211-R331 WeakPolarHBondContact O-CA 3.36Å; A212-R331 HydrophobicContact CB-CB 4.42Å; G249-R331 CarbonylContact C-O 3.57Å; E250-R331 HydrophobicContact CB-CB 4.23Å; E250-R331 PolarHBondContact N-O 2.82Å; E250-R331 WeakPolarHBondContact OE2-CB 3.45Å; R331-F333 HydrophobicContact CB-CE2 4.15Å; R331-F333 HydrophobicContact CG-CD2 4.5Å; R331-F333 HydrophobicContact CG-CE2 3.83Å; R331-F333 HydrophobicContact CG-CZ 3.88Å
332	V	93.9	Very high	84.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	-177	178.8	0	0	0	0	110	G210 F211 A247 A248 W267 L301 L328	G210-V332 CarbonylContact C-O 3.54Å; G210-V332 VanDerWaalsContact CA-O 3.32Å; G210-V332 WeakPolarHBondContact CA-O 3.19Å; F211-V332 WeakPolarHBondContact CD2-O 3.34Å; F211-V332 PolarHBondContact N-O 2.67Å; F211-V332 PolarHBondContact O-N 2.75Å; A247-V332 HydrophobicContact CB-CG1 3.65Å; A248-V332 CarbonylContact O-C 3.5Å; A248-V332 WeakPolarHBondContact O-CA 3.37Å; W267-V332 HydrophobicContact CZ3-CG1 4.49Å; W267-V332 HydrophobicContact CZ3-CG2 4.33Å; L301-V332 HydrophobicContact CD1-CG1 4.25Å; L301-V332 HydrophobicContact CD2-CB 4.02Å; L301-V332 HydrophobicContact CD2-CG1 4.02Å; L328-V332 HydrophobicContact CB-CG2 4.11Å; L328-V332 HydrophobicContact CD1-CG2 3.64Å; L328-V332 HydrophobicContact CG-CG2 4.46Å
333	F	95.8	Very high	83.6	Confident	28 Å²	28	50 Å²	50	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.2	-176.4	-61.1	-95.7	0	0	0	110.4	L206 G207 G210 A247 A248 E250 R331	L206-F333 HydrophobicContact CB-CB 4.27Å; L206-F333 HydrophobicContact CD1-CB 3.92Å; L206-F333 HydrophobicContact CD1-CD2 4.26Å; L206-F333 HydrophobicContact CD1-CG 4.06Å; L206-F333 HydrophobicContact CD2-CB 4.35Å; L206-F333 HydrophobicContact CG-CB 4.43Å; G207-F333 WeakPolarHBondContact O-CD1 3.38Å; G210-F333 VanDerWaalsContact CA-CE1 3.42Å; A247-F333 CarbonylContact C-O 3.56Å; A247-F333 VanDerWaalsContact CA-O 3.23Å; A247-F333 WeakPolarHBondContact CA-O 3.13Å; A248-F333 PolarHBondContact N-O 3.29Å; A248-F333 PolarHBondContact O-N 3.03Å; E250-F333 HydrophobicContact CB-CE2 3.89Å; E250-F333 HydrophobicContact CG-CE2 4.12Å; R331-F333 HydrophobicContact CB-CE2 4.15Å; R331-F333 HydrophobicContact CG-CD2 4.5Å; R331-F333 HydrophobicContact CG-CE2 3.83Å; R331-F333 HydrophobicContact CG-CZ 3.88Å
334	P	96	Very high	83.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	139	163.5	-22.9	32.9	0	0	0	110.7	L162 L206 G207 Q209 F211 W218	L162-P334 HydrophobicContact CD1-CG 3.96Å; L206-P334 CarbonylContact C-O 3.58Å; L206-P334 VanDerWaalsContact CA-O 3.24Å; L206-P334 WeakPolarHBondContact CA-O 3.46Å; L206-P334 WeakPolarHBondContact CD2-O 3.13Å; G207-P334 PolarHBondContact N-O 3.42Å; Q209-P334 WeakPolarHBondContact O-CD 3.35Å; F211-P334 HydrophobicContact CE2-CG 4.41Å; W218-P334 HydrophobicContact CD2-CB 4.42Å; W218-P334 HydrophobicContact CD2-CG 4.17Å; W218-P334 HydrophobicContact CE3-CG 4.46Å; W218-P334 HydrophobicContact CZ2-CB 4.15Å; W218-P334 HydrophobicContact CZ2-CG 4.27Å
335	L	96.8	Very high	83.9	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.9	178.1	175	73.2	0	0	0	109.2	A204 L206 G246 A248 V266	A204-L335 HydrophobicContact CB-CD1 3.87Å; L206-L335 HydrophobicContact CD2-CB 4.09Å; L206-L335 HydrophobicContact CD2-CD1 3.55Å; L206-L335 HydrophobicContact CD2-CG 4.44Å; G246-L335 PolarHBondContact N-O 3Å; G246-L335 PolarHBondContact O-N 2.94Å; A248-L335 HydrophobicContact CB-CB 4.07Å; A248-L335 HydrophobicContact CB-CD1 4.4Å; A248-L335 HydrophobicContact CB-CD2 4.26Å; A248-L335 HydrophobicContact CB-CG 4.47Å; V266-L335 HydrophobicContact CG1-CD2 3.65Å; V266-L335 HydrophobicContact CG2-CD2 4.47Å
336	L	95.8	Very high	84.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.5	173.1	-78.2	69.6	0	0	0	109.3	L164 V182 A204 V205 V220 L345 I347	L164-L336 HydrophobicContact CD2-CD1 4.22Å; L164-L336 HydrophobicContact CD2-CD2 4.29Å; V182-L336 HydrophobicContact CG1-CB 4.06Å; V182-L336 HydrophobicContact CG1-CD2 3.89Å; A204-L336 CarbonylContact C-O 3.19Å; A204-L336 VanDerWaalsContact CA-O 3.3Å; A204-L336 WeakPolarHBondContact CA-O 3.32Å; V205-L336 HydrophobicContact CG1-CB 4.13Å; V205-L336 PolarHBondContact N-O 3.08Å; V205-L336 PolarHBondContact O-N 3.37Å; V205-L336 VanDerWaalsContact O-N 3.08Å; V220-L336 HydrophobicContact CG1-CD2 4.03Å; V220-L336 HydrophobicContact CG1-CG 4.33Å; V220-L336 HydrophobicContact CG2-CD1 4.28Å; L336-L345 HydrophobicContact CB-CD1 4.03Å; L336-L345 HydrophobicContact CD2-CB 3.81Å; L336-L345 HydrophobicContact CD2-CD1 4.4Å; L336-L345 HydrophobicContact CG-CD1 4.23Å; L336-I347 HydrophobicContact CD1-CD1 4.42Å; L336-I347 HydrophobicContact CD1-CG1 4.36Å; L336-I347 HydrophobicContact CD2-CG1 4.18Å
337	C	93.4	Very high	85.6	Confident	10 Å²	10	37.4 Å²	37.4	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.9	174.1	-47.6	0	0	0	0	110	L203 Y243 A244 L345	L203-C337 WeakPolarHBondContact O-CA 3.34Å; Y243-C337 CarbonylContact C-O 3.52Å; Y243-C337 VanDerWaalsContact CA-O 3.26Å; Y243-C337 WeakPolarHBondContact CA-O 3.34Å; Y243-C337 WeakPolarHBondContact CB-O 3.16Å; A244-C337 HydrophobicContact CB-CB 3.91Å; A244-C337 PolarHBondContact N-O 3.17Å; A244-C337 PolarHBondContact O-N 3.26Å; C337-L345 VanDerWaalsContact O-CD1 3.24Å; C337-L345 WeakPolarHBondContact O-CD1 3.29Å
338	T	88.7	Confident	86.1	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.2	174.7	-177.8	0	0	0	0	110.9	L173 V182 L203 D340 S343	L173-T338 HydrophobicContact CD2-CG2 3.82Å; V182-T338 HydrophobicContact CG1-CG2 4.41Å; V182-T338 HydrophobicContact CG2-CG2 4.22Å; L203-T338 WeakPolarHBondContact CB-O 3.29Å; L203-T338 PolarHBondContact O-N 3.32Å; T338-D340 PolarHBondContact OG1-O 3.06Å; T338-S343 PolarHBondContact OG1-O 2.85Å
339	C	81.9	Confident	85.8	Confident	44 Å²	44	37.9 Å²	37.9	30%	0.297	21%	0.206	S	C	.	.			trans	-119.7	1.8	179.2	78.9	0	0	0	0	113.4	L184 L203 C242	L184-C339 WeakPolarHBondContact CD1-O 3.47Å; L203-C339 HydrophobicContact CD1-CB 3.91Å; C242-C339 WeakPolarHBondContact CA-SG 3.21Å; C242-C339 WeakPolarHBondContact CB-SG 3.41Å; C242-C339 PolarHBondContact N-SG 3.42Å; C242-C339 PolarHBondContact O-N 2.98Å; C242-C339 VanDerWaalsContact O-N 3.1Å; C242-C339 PolarHBondContact O-SG 2.93Å; C242-C339 WeakPolarHBondContact SG-CB 3.24Å; C242-C339 CovalentContact SG-SG 2.05Å; C242-C339 PolarHBondContact SG-SG 3Å
340	D	75.1	Confident	84.7	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.185	C	C	.	.			trans	-119.4	125.2	176.9	-168.7	-30.9	0	0	0	110.6	S241 T338 R342 S343	S241-D340 WeakPolarHBondContact CB-OD2 3.43Å; S241-D340 WeakPolarHBondContact OG-CB 3.46Å; S241-D340 PolarHBondContact OG-OD2 3.2Å; T338-D340 PolarHBondContact OG1-O 3.06Å; D340-R342 PolarHBondContact O-N 3.13Å; D340-R342 VanDerWaalsContact O-N 3.15Å; D340-R342 WeakPolarHBondContact OD1-CA 3.38Å; D340-R342 VanDerWaalsContact OD1-CB 3.24Å; D340-R342 WeakPolarHBondContact OD1-CB 3.33Å; D340-R342 WeakPolarHBondContact OD1-CG 3.45Å; D340-R342 IonicContact OD1-CZ 2.8Å; D340-R342 PolarHBondContact OD1-N 2.83Å; D340-R342 IonicContact OD1-NE 2.98Å; D340-R342 PolarHBondContact OD1-NE 2.81Å; D340-R342 VanDerWaalsContact OD1-NE 3.09Å; D340-R342 IonicContact OD1-NH2 3.14Å; D340-R342 IonicContact OD2-CZ 3.72Å; D340-R342 IonicContact OD2-NE 3.24Å; D340-R342 PolarHBondContact OD2-NE 3.42Å; D340-R342 IonicContact OD2-NH2 3.39Å; D340-R342 PolarHBondContact OD2-NH2 3.24Å; D340-S343 PolarHBondContact O-N 2.77Å
341	P	67.7	Low	82.6	Confident	89 Å²	89	40.2 Å²	40.2	58%	0.578	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.9	175.5	25.8	-35.3	0	0	0	113.8	L184	L184-P341 HydrophobicContact CB-CB 4.27Å
342	R	68.9	Low	80	Confident	155 Å²	155	42.2 Å²	42.2	59%	0.585	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.5	177.9	-58.3	170.3	-68.5	-178.5	0.3	113.5	D340 P344	D340-R342 PolarHBondContact O-N 3.13Å; D340-R342 VanDerWaalsContact O-N 3.15Å; D340-R342 WeakPolarHBondContact OD1-CA 3.38Å; D340-R342 VanDerWaalsContact OD1-CB 3.24Å; D340-R342 WeakPolarHBondContact OD1-CB 3.33Å; D340-R342 WeakPolarHBondContact OD1-CG 3.45Å; D340-R342 IonicContact OD1-CZ 2.8Å; D340-R342 PolarHBondContact OD1-N 2.83Å; D340-R342 IonicContact OD1-NE 2.98Å; D340-R342 PolarHBondContact OD1-NE 2.81Å; D340-R342 VanDerWaalsContact OD1-NE 3.09Å; D340-R342 IonicContact OD1-NH2 3.14Å; D340-R342 IonicContact OD2-CZ 3.72Å; D340-R342 IonicContact OD2-NE 3.24Å; D340-R342 PolarHBondContact OD2-NE 3.42Å; D340-R342 IonicContact OD2-NH2 3.39Å; D340-R342 PolarHBondContact OD2-NH2 3.24Å; R342-P344 WeakPolarHBondContact O-CD 2.97Å
343	S	70.5	Confident	79.3	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	27%	0.272	C	S	.	.			trans	-117.6	64.3	-177	-56.7	0	0	0	0	110.4	S241 T338 D340	S241-S343 PolarHBondContact OG-OG 2.7Å; T338-S343 PolarHBondContact OG1-O 2.85Å; D340-S343 PolarHBondContact O-N 2.77Å
344	P	84.4	Confident	78.5	Confident	49 Å²	49	45.2 Å²	45.2	32%	0.318	28%	0.28	S	S	.	.			trans	-63.6	142.1	172.7	30	-34.8	0	0	0	109.6	V182 V223 R342	V182-P344 WeakPolarHBondContact O-CA 3.27Å; V223-P344 HydrophobicContact CB-CG 4.35Å; V223-P344 HydrophobicContact CG2-CG 4.16Å; R342-P344 WeakPolarHBondContact O-CD 2.97Å
345	L	91	Very high	77.5	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	143.8	173.2	-62.4	179.9	0	0	0	109.3	G181 V182 V220 T222 Y243 V245 L336 C337	G181-L345 CarbonylContact C-O 3.58Å; G181-L345 VanDerWaalsContact CA-O 3.28Å; G181-L345 WeakPolarHBondContact CA-O 3.3Å; V182-L345 HydrophobicContact CG1-CB 3.86Å; V182-L345 PolarHBondContact N-O 3.04Å; V182-L345 PolarHBondContact O-N 2.64Å; V220-L345 HydrophobicContact CG1-CB 4.17Å; V220-L345 HydrophobicContact CG1-CD2 4.46Å; T222-L345 HydrophobicContact CG2-CD2 3.79Å; Y243-L345 HydrophobicContact CD2-CD2 4.09Å; Y243-L345 HydrophobicContact CG-CD2 4.1Å; V245-L345 HydrophobicContact CG1-CD1 3.97Å; V245-L345 HydrophobicContact CG1-CD2 4.33Å; L336-L345 HydrophobicContact CB-CD1 4.03Å; L336-L345 HydrophobicContact CD2-CB 3.81Å; L336-L345 HydrophobicContact CD2-CD1 4.4Å; L336-L345 HydrophobicContact CG-CD1 4.23Å; C337-L345 VanDerWaalsContact O-CD1 3.24Å; C337-L345 WeakPolarHBondContact O-CD1 3.29Å
346	R	91.8	Very high	76.3	Confident	90 Å²	90	50.4 Å²	50.4	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.6	-179.5	-171.9	169.8	175.5	79.1	-0.3	112.1	D178 R180 V220 E221 V348	D178-R346 IonicContact OD1-NH1 2.91Å; D178-R346 PolarHBondContact OD1-NH1 2.9Å; D178-R346 IonicContact OD2-CZ 3.1Å; D178-R346 VanDerWaalsContact OD2-CZ 3.25Å; D178-R346 IonicContact OD2-NH1 3.63Å; D178-R346 PolarHBondContact OD2-NH1 3.06Å; D178-R346 IonicContact OD2-NH2 3.72Å; D178-R346 PolarHBondContact OD2-NH2 3.06Å; R180-R346 CarbonylContact O-C 3.44Å; R180-R346 WeakPolarHBondContact O-CA 3.19Å; V220-R346 CarbonylContact C-O 3.57Å; V220-R346 WeakPolarHBondContact CA-O 3.26Å; E221-R346 PolarHBondContact N-O 3.32Å; E221-R346 PolarHBondContact O-N 3.47Å; R346-V348 PolarHBondContact O-N 2.96Å
347	I	90.6	Very high	75.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.5	169.7	-63	-179.9	0	0	0	108.3	L162 L164 R180 E219 L336	L162-I347 HydrophobicContact CB-CD1 4.35Å; L162-I347 HydrophobicContact CB-CG2 4.02Å; L164-I347 HydrophobicContact CD2-CD1 3.63Å; L164-I347 HydrophobicContact CD2-CG1 4.45Å; L164-I347 HydrophobicContact CG-CD1 4.09Å; R180-I347 HydrophobicContact CB-CB 4.42Å; R180-I347 PolarHBondContact O-N 3.49Å; E219-I347 WeakPolarHBondContact O-CA 3.3Å; L336-I347 HydrophobicContact CD1-CD1 4.42Å; L336-I347 HydrophobicContact CD1-CG1 4.36Å; L336-I347 HydrophobicContact CD2-CG1 4.18Å
348	V	85.9	Confident	73.9	Confident	27 Å²	27	56.4 Å²	56.4	16%	0.164	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-73.8	126.7	174.1	-176	0	0	0	0	108.3	E219 E221 R346	E219-V348 HydrophobicContact CB-CB 3.94Å; E219-V348 HydrophobicContact CB-CG2 3.89Å; E219-V348 PolarHBondContact O-N 3.41Å; E221-V348 HydrophobicContact CG-CG2 3.65Å; R346-V348 PolarHBondContact O-N 2.96Å
349	P	72.4	Confident	72.9	Confident	64 Å²	64	60.3 Å²	60.3	42%	0.416	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-64.1	142.9	177.2	26.5	-33	0	0	0	110.7
350	G	58.9	Low	72.2	Confident	25 Å²	25	61.5 Å²	61.5	26%	0.258	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.7	132.2	169.3	0	0	0	0	0	110.7	T159 G352	T159-G350 WeakPolarHBondContact OG1-CA 3.24Å; G350-G352 PolarHBondContact O-N 3.31Å
351	E	45.5	Very low	71.9	Confident	132 Å²	132	66 Å²	66	62%	0.617	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-69.2	117.2	168.7	-66.8	-172.8	160.7	0	0	108.5	H156	H156-E351 IonicContact CD2-OE2 3.4Å
352	G	35.5	Very low	72.3	Confident	151 Å²	151	63.9 Å²	63.9	100%	1.557	39%	0.393	S	S	*	.			trans	-78	0	-175.3	0	0	0	0	0	115.4	G350	G350-G352 PolarHBondContact O-N 3.31Å

Retrieved 352 of 352 residues in 282.9 ms (Link to these results)

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