A0A087XG28_POEFO Loading...

Uridine 5'-monophosphate synthase

Bifunctional enzyme catalyzing the last two steps of de novo pyrimidine biosynthesis, orotate phosphoribosyltransferase (OPRT), which converts orotate to orotidine-5'-monophosphate (OMP), and orotidine-5'-monophosphate decarboxylase (ODC), the terminal enzymatic reaction that decarboxylates OMP to uridine monophosphate (UMP).

AlphaFold DB , UniProt , Accession A0A087XG28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	80.2	Confident	223 Å²	223	69.2 Å²	69.2	100%	1.099	40%	0.403	S	S	*	.				0	136.1	0	-77.1	177.8	-83.9	0	0	106.5	D3	M1-D3 PolarHBondContact O-N 2.82Å
2	A	42.5	Very low	81.7	Confident	92 Å²	92	69.4 Å²	69.4	76%	0.76	40%	0.396	S	S	*	.			trans	-55.8	126.4	-174.9	0	0	0	0	0	109.8	V4	A2-V4 PolarHBondContact O-N 3.4Å
3	D	57.3	Low	82.9	Confident	139 Å²	139	64.1 Å²	64.1	74%	0.743	37%	0.365	S	S	*	.			trans	-56.6	109	176	-170	12.3	0	0	0	108.3	M1 S5	M1-D3 PolarHBondContact O-N 2.82Å; D3-S5 PolarHBondContact O-N 2.9Å; D3-S5 VanDerWaalsContact O-N 3.09Å
4	V	70.8	Confident	83.9	Confident	37 Å²	37	62.1 Å²	62.1	22%	0.224	35%	0.352	C	S	.	.			trans	-78.6	100.4	-177.1	178.8	0	0	0	0	106.7	A2 I6 L9 V54	A2-V4 PolarHBondContact O-N 3.4Å; V4-I6 PolarHBondContact O-N 2.81Å; V4-L9 HydrophobicContact CG1-CB 4.43Å; V4-V54 HydrophobicContact CB-CG2 4.06Å; V4-V54 HydrophobicContact CG1-CG2 4.22Å
5	S	89.9	Confident	84.8	Confident	64 Å²	64	63.7 Å²	63.7	45%	0.448	36%	0.359	S	S	.	.			trans	-53.1	123.6	172.6	170.6	0	0	0	0	110.4	D3 D7 S8 L9	D3-S5 PolarHBondContact O-N 2.9Å; D3-S5 VanDerWaalsContact O-N 3.09Å; S5-D7 PolarHBondContact O-N 2.82Å; S5-D7 PolarHBondContact OG-N 3.14Å; S5-S8 WeakPolarHBondContact O-CB 3.43Å; S5-S8 PolarHBondContact O-N 3.05Å; S5-L9 PolarHBondContact O-N 3.21Å
6	I	94.2	Very high	85.6	Confident	47 Å²	47	61.4 Å²	61.4	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-54.9	-35.5	175.8	-64.6	-60.2	0	0	0	111.1	V4 L9 I10 V54 I171 I172	V4-I6 PolarHBondContact O-N 2.81Å; I6-L9 WeakPolarHBondContact O-CB 3.48Å; I6-L9 PolarHBondContact O-N 3.11Å; I6-I10 HydrophobicContact CG2-CD1 3.91Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.01Å; I6-V54 HydrophobicContact CD1-CG1 3.74Å; I6-I171 HydrophobicContact CD1-CG2 3.77Å; I6-I172 HydrophobicContact CG2-CG1 4.11Å
7	D	95.9	Very high	86.1	Confident	62 Å²	62	63.9 Å²	63.9	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-43.9	178.1	-65.7	11.9	0	0	0	110.7	S5 L9 I10 L11 K176 V180	S5-D7 PolarHBondContact O-N 2.82Å; S5-D7 PolarHBondContact OG-N 3.14Å; D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.33Å; D7-I10 PolarHBondContact O-N 3.4Å; D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.41Å; D7-L11 VanDerWaalsContact O-N 3.11Å; D7-K176 WeakPolarHBondContact OD1-CE 3.37Å; D7-K176 IonicContact OD1-NZ 2.69Å; D7-K176 PolarHBondContact OD1-NZ 2.94Å; D7-K176 IonicContact OD2-NZ 3.32Å; D7-K176 PolarHBondContact OD2-NZ 3.23Å; D7-V180 HydrophobicContact CB-CG1 4.03Å; D7-V180 HydrophobicContact CB-CG2 4.09Å; D7-V180 WeakPolarHBondContact OD1-CG2 3.45Å
8	S	96.3	Very high	86.6	Confident	47 Å²	47	60.3 Å²	60.3	33%	0.329	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-37.2	173.8	-178.5	0	0	0	0	112.2	S5 L11 K12	S5-S8 WeakPolarHBondContact O-CB 3.43Å; S5-S8 PolarHBondContact O-N 3.05Å; S8-L11 PolarHBondContact O-N 3.31Å; S8-K12 WeakPolarHBondContact O-CG 3.28Å; S8-K12 PolarHBondContact O-N 3.08Å; S8-K12 VanDerWaalsContact O-N 3.09Å
9	L	96.8	Very high	87.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-44.1	176.8	-177.2	61.4	0	0	0	111.5	V4 S5 I6 D7 L11 K12 L13 L47 V51 V54 I172	V4-L9 HydrophobicContact CG1-CB 4.43Å; S5-L9 PolarHBondContact O-N 3.21Å; I6-L9 WeakPolarHBondContact O-CB 3.48Å; I6-L9 PolarHBondContact O-N 3.11Å; D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.33Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.91Å; L9-K12 PolarHBondContact O-N 2.95Å; L9-L13 HydrophobicContact CG-CD1 4.26Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.5Å; L9-L47 HydrophobicContact CD1-CD1 3.57Å; L9-V51 HydrophobicContact CD1-CG2 3.88Å; L9-V51 HydrophobicContact CD2-CG2 4.47Å; L9-V54 HydrophobicContact CD2-CG2 4.35Å; L9-I172 HydrophobicContact CD2-CD1 4.44Å
10	I	98	Very high	87.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-46.1	176	-71.3	160.1	0	0	0	110.9	I6 D7 K12 L13 H14 I172 K176 L177 V180 L181	I6-I10 HydrophobicContact CG2-CD1 3.91Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.01Å; D7-I10 PolarHBondContact O-N 3.4Å; I10-K12 PolarHBondContact O-N 2.94Å; I10-L13 PolarHBondContact O-N 3.01Å; I10-H14 PolarHBondContact O-N 3.26Å; I10-I172 HydrophobicContact CD1-CG2 3.97Å; I10-I172 HydrophobicContact CG1-CD1 3.82Å; I10-I172 HydrophobicContact CG1-CG1 4.33Å; I10-I172 HydrophobicContact CG1-CG2 4.01Å; I10-K176 HydrophobicContact CD1-CG 4.24Å; I10-L177 HydrophobicContact CG2-CG 4.2Å; I10-V180 HydrophobicContact CB-CB 4.48Å; I10-V180 HydrophobicContact CB-CG1 4.03Å; I10-V180 HydrophobicContact CD1-CB 4.11Å; I10-V180 HydrophobicContact CD1-CG1 4.4Å; I10-V180 HydrophobicContact CD1-CG2 3.85Å; I10-V180 HydrophobicContact CG2-CB 4.04Å; I10-V180 HydrophobicContact CG2-CG1 3.83Å; I10-L181 HydrophobicContact CG2-CD2 4.07Å; I10-L181 HydrophobicContact CG2-CG 4.01Å
11	L	97.9	Very high	87.7	Confident	50 Å²	50	56.6 Å²	56.6	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-44.5	178.4	-63.4	177.6	0	0	0	111.8	D7 S8 L9 L13 H14 D15 V180 L181 A184 R186	D7-L11 WeakPolarHBondContact O-CG 3.38Å; D7-L11 PolarHBondContact O-N 3.41Å; D7-L11 VanDerWaalsContact O-N 3.11Å; S8-L11 PolarHBondContact O-N 3.31Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.91Å; L11-L13 PolarHBondContact O-N 2.95Å; L11-H14 WeakPolarHBondContact O-CB 3.41Å; L11-H14 PolarHBondContact O-N 3.45Å; L11-D15 PolarHBondContact O-N 3.2Å; L11-V180 HydrophobicContact CD2-CG1 4.09Å; L11-V180 HydrophobicContact CG-CG1 4.22Å; L11-L181 HydrophobicContact CD2-CD2 4.11Å; L11-A184 HydrophobicContact CD1-CB 4.36Å; L11-A184 HydrophobicContact CD2-CB 3.46Å; L11-A184 VanDerWaalsContact CD2-CB 3.46Å; L11-R186 HydrophobicContact CD2-CG 4.21Å
12	K	97.7	Very high	89.9	Confident	72 Å²	72	47.7 Å²	47.7	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-39.6	176.4	-71.4	168.1	-179.7	162.1	0	112.6	S8 L9 I10 H14 D15 V16 L47	S8-K12 WeakPolarHBondContact O-CG 3.28Å; S8-K12 PolarHBondContact O-N 3.08Å; S8-K12 VanDerWaalsContact O-N 3.09Å; L9-K12 PolarHBondContact O-N 2.95Å; I10-K12 PolarHBondContact O-N 2.94Å; K12-H14 VanDerWaalsContact C-N 3.31Å; K12-D15 PolarHBondContact O-N 3.3Å; K12-V16 WeakPolarHBondContact O-CG2 3.4Å; K12-V16 PolarHBondContact O-N 2.99Å; K12-V16 VanDerWaalsContact O-N 3.14Å; K12-L47 HydrophobicContact CB-CD1 3.73Å; K12-L47 HydrophobicContact CB-CD2 4.26Å; K12-L47 HydrophobicContact CD-CD1 4.09Å
13	L	97.6	Very high	92	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-41.8	175.6	-73.5	171.1	0	0	0	111.2	L9 I10 L11 V16 A18 V19 L38 L41 L47 V51 I172	L9-L13 HydrophobicContact CG-CD1 4.26Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.5Å; I10-L13 PolarHBondContact O-N 3.01Å; L11-L13 PolarHBondContact O-N 2.95Å; L13-V16 WeakPolarHBondContact O-CG2 3.38Å; L13-A18 HydrophobicContact CB-CB 4.3Å; L13-A18 HydrophobicContact CD2-CB 4.14Å; L13-A18 WeakPolarHBondContact O-CA 2.97Å; L13-A18 WeakPolarHBondContact O-CB 3.35Å; L13-A18 PolarHBondContact O-N 2.92Å; L13-V19 HydrophobicContact CB-CG2 4.33Å; L13-L38 HydrophobicContact CD2-CD2 3.93Å; L13-L41 HydrophobicContact CD2-CD1 4.35Å; L13-L41 HydrophobicContact CD2-CD2 3.79Å; L13-L41 HydrophobicContact CD2-CG 4.48Å; L13-L47 HydrophobicContact CD2-CD2 4.32Å; L13-V51 HydrophobicContact CD2-CG2 4.46Å; L13-I172 HydrophobicContact CD1-CD1 3.8Å
14	H	97.4	Very high	93.2	Very high	37 Å²	37	47.7 Å²	47.7	17%	0.171	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-47.6	173.7	178.4	-91.5	0	0	0	112.1	I10 L11 K12 V16 N17 F21 L181	I10-H14 PolarHBondContact O-N 3.26Å; L11-H14 WeakPolarHBondContact O-CB 3.41Å; L11-H14 PolarHBondContact O-N 3.45Å; K12-H14 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 3.12Å; H14-N17 WeakPolarHBondContact O-CA 3.49Å; H14-N17 PolarHBondContact O-N 3.38Å; H14-F21 AromaticContact CD2-CE2 3.89Å; H14-L181 HydrophobicContact CB-CD2 3.67Å
15	D	96.6	Very high	93.1	Very high	86 Å²	86	53.3 Å²	53.3	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-28.2	-176.8	-68	-15.9	0	0	0	112.9	L11 K12 N17 R186	L11-D15 PolarHBondContact O-N 3.2Å; K12-D15 PolarHBondContact O-N 3.3Å; D15-N17 VanDerWaalsContact C-N 3.31Å; D15-R186 IonicContact OD1-CZ 2.61Å; D15-R186 IonicContact OD1-NE 3.56Å; D15-R186 PolarHBondContact OD1-NE 2.93Å; D15-R186 IonicContact OD1-NH2 3.76Å; D15-R186 PolarHBondContact OD1-NH2 3.2Å; D15-R186 IonicContact OD2-NH2 3.32Å
16	V	97.1	Very high	92	Very high	26 Å²	26	51.9 Å²	51.9	16%	0.158	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	11.9	173.7	-56.5	0	0	0	0	114	K12 L13 H14 A18 V40 L47	K12-V16 WeakPolarHBondContact O-CG2 3.4Å; K12-V16 PolarHBondContact O-N 2.99Å; K12-V16 VanDerWaalsContact O-N 3.14Å; L13-V16 WeakPolarHBondContact O-CG2 3.38Å; H14-V16 PolarHBondContact O-N 3.12Å; V16-A18 VanDerWaalsContact C-N 3.27Å; V16-A18 HydrophobicContact CG2-CB 4.06Å; V16-A18 PolarHBondContact O-N 3.12Å; V16-V40 HydrophobicContact CG2-CG1 3.99Å; V16-V40 WeakPolarHBondContact O-CG2 3.39Å; V16-L47 HydrophobicContact CB-CD2 4.45Å; V16-L47 HydrophobicContact CG1-CD2 3.96Å; V16-L47 HydrophobicContact CG2-CD2 3.65Å
17	N	94.7	Very high	89.7	Confident	104 Å²	104	57.3 Å²	57.3	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	29	-175.7	-60.7	-71.2	0	0	0	114.4	H14 D15 V19 K20	H14-N17 WeakPolarHBondContact O-CA 3.49Å; H14-N17 PolarHBondContact O-N 3.38Å; D15-N17 VanDerWaalsContact C-N 3.31Å; N17-V19 VanDerWaalsContact C-N 3.28Å; N17-K20 WeakPolarHBondContact O-CE 3.48Å
18	A	95.4	Very high	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-76.2	-21.6	171	0	0	0	0	0	112	L13 V16 I36 D37 L38 V40	L13-A18 HydrophobicContact CB-CB 4.3Å; L13-A18 HydrophobicContact CD2-CB 4.14Å; L13-A18 WeakPolarHBondContact O-CA 2.97Å; L13-A18 WeakPolarHBondContact O-CB 3.35Å; L13-A18 PolarHBondContact O-N 2.92Å; V16-A18 VanDerWaalsContact C-N 3.27Å; V16-A18 HydrophobicContact CG2-CB 4.06Å; V16-A18 PolarHBondContact O-N 3.12Å; A18-I36 CarbonylContact O-C 3.54Å; A18-I36 WeakPolarHBondContact O-CA 3.32Å; A18-D37 PolarHBondContact O-N 3.26Å; A18-L38 HydrophobicContact CB-CD2 4.09Å; A18-V40 HydrophobicContact CB-CG1 3.63Å
19	V	96.1	Very high	85.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.4	173.8	-175.4	0	0	0	0	107.6	L13 N17 F21 I34 I36 L177 L181	L13-V19 HydrophobicContact CB-CG2 4.33Å; N17-V19 VanDerWaalsContact C-N 3.28Å; V19-F21 HydrophobicContact CG1-CE2 3.81Å; V19-F21 HydrophobicContact CG1-CZ 3.86Å; V19-I34 HydrophobicContact CG1-CD1 4Å; V19-I34 HydrophobicContact CG1-CG1 4.34Å; V19-I36 HydrophobicContact CB-CD1 4.3Å; V19-I36 HydrophobicContact CG1-CD1 3.93Å; V19-I36 HydrophobicContact CG2-CD1 4.06Å; V19-L177 HydrophobicContact CG1-CD1 4.11Å; V19-L177 HydrophobicContact CG1-CD2 4.12Å; V19-L177 HydrophobicContact CG2-CD1 3.74Å; V19-L181 HydrophobicContact CG1-CD1 4.21Å
20	K	93.4	Very high	84.6	Confident	56 Å²	56	60.9 Å²	60.9	24%	0.243	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.5	-176.3	-48.5	177.6	-169.3	165.1	0	110.1	N17 Y24 I34 Y35 D37	N17-K20 WeakPolarHBondContact O-CE 3.48Å; K20-Y24 HydrophobicContact CB-CE2 4.01Å; K20-Y24 VanDerWaalsContact CB-OH 3.27Å; K20-Y24 WeakPolarHBondContact CB-OH 3.38Å; K20-I34 CarbonylContact O-C 3.55Å; K20-I34 WeakPolarHBondContact O-CA 3.37Å; K20-Y35 HydrophobicContact CD-CD1 4.33Å; K20-Y35 PolarHBondContact N-O 3.37Å; K20-Y35 PolarHBondContact O-N 3.11Å; K20-D37 IonicContact NZ-OD2 3.57Å; K20-D37 PolarHBondContact NZ-OD2 3.03Å
21	F	93.7	Very high	83.8	Confident	45 Å²	45	65.2 Å²	65.2	20%	0.197	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.4	178.4	-62.2	-86.6	0	0	0	110.7	H14 V19 I34 L177 L178 L181 I187 T191 V195	H14-F21 AromaticContact CD2-CE2 3.89Å; V19-F21 HydrophobicContact CG1-CE2 3.81Å; V19-F21 HydrophobicContact CG1-CZ 3.86Å; F21-I34 HydrophobicContact CD1-CB 4.38Å; F21-I34 HydrophobicContact CD1-CD1 4.35Å; F21-I34 HydrophobicContact CD1-CG1 4.22Å; F21-I34 HydrophobicContact CE1-CB 4.45Å; F21-I34 HydrophobicContact CE1-CD1 3.64Å; F21-I34 HydrophobicContact CE1-CG1 4Å; F21-I34 HydrophobicContact CZ-CD1 3.99Å; F21-L177 HydrophobicContact CZ-CD2 4.42Å; F21-L178 HydrophobicContact CE1-CD2 3.91Å; F21-L178 HydrophobicContact CZ-CD2 4.32Å; F21-L181 HydrophobicContact CE2-CD1 3.77Å; F21-L181 HydrophobicContact CZ-CD1 3.57Å; F21-I187 HydrophobicContact CD1-CG2 4.22Å; F21-I187 HydrophobicContact CD2-CG2 3.53Å; F21-I187 HydrophobicContact CE1-CD1 4.22Å; F21-I187 HydrophobicContact CE1-CG2 4.01Å; F21-I187 HydrophobicContact CE2-CG2 3.3Å; F21-I187 HydrophobicContact CG-CG2 4Å; F21-I187 HydrophobicContact CZ-CD1 4.12Å; F21-I187 HydrophobicContact CZ-CG2 3.56Å; F21-T191 HydrophobicContact CB-CG2 4.11Å; F21-T191 HydrophobicContact CD1-CG2 3.54Å; F21-T191 HydrophobicContact CE1-CG2 4.23Å; F21-T191 HydrophobicContact CG-CG2 3.99Å; F21-V195 HydrophobicContact CD1-CG2 4.18Å; F21-V195 HydrophobicContact CE1-CG2 4.2Å
22	G	87.9	Confident	83.2	Confident	36 Å²	36	63 Å²	63	37%	0.371	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-176.3	-172.4	0	0	0	0	0	111.1	Y24 P33	G22-Y24 WeakPolarHBondContact O-CD2 3.25Å; G22-Y24 PolarHBondContact O-N 2.8Å; G22-P33 PolarHBondContact N-O 2.91Å; G22-P33 CarbonylContact O-C 3.03Å; G22-P33 WeakPolarHBondContact O-CA 3.42Å; G22-P33 VanDerWaalsContact O-O 3.05Å
23	E	86.4	Confident	82.9	Confident	156 Å²	156	60.9 Å²	60.9	73%	0.729	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.7	-177.7	-168	176.3	110.2	0	0	110.5	L31	E23-L31 HydrophobicContact CG-CB 4.09Å; E23-L31 HydrophobicContact CG-CD1 4.08Å; E23-L31 HydrophobicContact CG-CD2 3.98Å; E23-L31 HydrophobicContact CG-CG 4.25Å; E23-L31 WeakPolarHBondContact OE1-CD1 3.41Å
24	Y	83.7	Confident	82.7	Confident	74 Å²	74	60.9 Å²	60.9	29%	0.29	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141	177.5	-59.3	-85.6	0	0	0	110.8	K20 G22 L31 T32 Y35	K20-Y24 HydrophobicContact CB-CE2 4.01Å; K20-Y24 VanDerWaalsContact CB-OH 3.27Å; K20-Y24 WeakPolarHBondContact CB-OH 3.38Å; G22-Y24 WeakPolarHBondContact O-CD2 3.25Å; G22-Y24 PolarHBondContact O-N 2.8Å; Y24-L31 CarbonylContact O-C 3.48Å; Y24-L31 WeakPolarHBondContact O-CA 3.46Å; Y24-T32 PolarHBondContact N-O 2.82Å; Y24-T32 VanDerWaalsContact O-CG2 3.32Å; Y24-T32 WeakPolarHBondContact O-CG2 3.42Å; Y24-T32 PolarHBondContact O-N 2.8Å; Y24-Y35 HydrophobicContact CD1-CG 4.21Å; Y24-Y35 VanDerWaalsContact CD2-CB 3.44Å; Y24-Y35 VanDerWaalsContact CG-CB 3.46Å; Y24-Y35 HydrophobicContact CG-CG 4.14Å
25	K	69.1	Low	82.4	Confident	156 Å²	156	62.3 Å²	62.3	68%	0.678	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.3	174.6	-167.7	177.1	179.9	-175.3	0	110.1	L31	K25-L31 HydrophobicContact CB-CD2 4.21Å; K25-L31 HydrophobicContact CG-CD2 4.5Å
26	L	65.6	Low	82.3	Confident	34 Å²	34	59.1 Å²	59.1	18%	0.178	31%	0.306	C	S	.	.			trans	-72.1	162.3	172.8	-68.5	-178.7	0	0	0	111.3	S28 G29 L30 T32 F198	L26-S28 WeakPolarHBondContact CB-OG 3.23Å; L26-S28 PolarHBondContact O-N 3.32Å; L26-S28 VanDerWaalsContact O-N 3.12Å; L26-G29 WeakPolarHBondContact O-CA 3.43Å; L26-G29 PolarHBondContact O-N 3.32Å; L26-L30 WeakPolarHBondContact CB-O 3.09Å; L26-L30 HydrophobicContact CD1-CB 4.41Å; L26-L30 PolarHBondContact N-O 2.74Å; L26-T32 HydrophobicContact CD1-CG2 4.22Å; L26-T32 HydrophobicContact CD2-CG2 3.45Å; L26-T32 VanDerWaalsContact CD2-CG2 3.45Å; L26-T32 HydrophobicContact CG-CG2 3.54Å; L26-F198 HydrophobicContact CD1-CE1 4.31Å; L26-F198 HydrophobicContact CD1-CZ 3.8Å
27	K	47	Very low	82	Confident	160 Å²	160	59.1 Å²	59.1	70%	0.696	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	168.9	-168.6	-177.8	177.4	-171	0	112.8	G29 Q388	K27-G29 VanDerWaalsContact C-N 3.27Å; K27-Q388 PolarHBondContact O-NE2 2.85Å; K27-Q388 PolarHBondContact O-OE1 3.36Å; K27-Q388 VanDerWaalsContact O-OE1 3.08Å
28	S	56	Low	82.1	Confident	71 Å²	71	54.4 Å²	54.4	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.2	172	56.8	0	0	0	0	113.8	L26 L30	L26-S28 WeakPolarHBondContact CB-OG 3.23Å; L26-S28 PolarHBondContact O-N 3.32Å; L26-S28 VanDerWaalsContact O-N 3.12Å; S28-L30 PolarHBondContact O-N 2.88Å
29	G	55.5	Low	82	Confident	38 Å²	38	60.8 Å²	60.8	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	82.8	-11.8	-172.6	0	0	0	0	0	114.3	L26 K27	L26-G29 WeakPolarHBondContact O-CA 3.43Å; L26-G29 PolarHBondContact O-N 3.32Å; K27-G29 VanDerWaalsContact C-N 3.27Å
30	L	70.7	Confident	81.9	Confident	75 Å²	75	62.5 Å²	62.5	39%	0.393	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66.4	141.2	174	-67.3	172.1	0	0	0	110.9	L26 S28 F198 N202	L26-L30 WeakPolarHBondContact CB-O 3.09Å; L26-L30 HydrophobicContact CD1-CB 4.41Å; L26-L30 PolarHBondContact N-O 2.74Å; S28-L30 PolarHBondContact O-N 2.88Å; L30-F198 HydrophobicContact CB-CE2 4.45Å; L30-N202 VanDerWaalsContact CD1-OD1 3.26Å; L30-N202 WeakPolarHBondContact CD1-OD1 3.5Å
31	L	79.3	Confident	82	Confident	92 Å²	92	59.9 Å²	59.9	48%	0.482	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.6	167	-62.4	173.6	0	0	0	108.2	E23 Y24 K25 F198	E23-L31 HydrophobicContact CG-CB 4.09Å; E23-L31 HydrophobicContact CG-CD1 4.08Å; E23-L31 HydrophobicContact CG-CD2 3.98Å; E23-L31 HydrophobicContact CG-CG 4.25Å; E23-L31 WeakPolarHBondContact OE1-CD1 3.41Å; Y24-L31 CarbonylContact O-C 3.48Å; Y24-L31 WeakPolarHBondContact O-CA 3.46Å; K25-L31 HydrophobicContact CB-CD2 4.21Å; K25-L31 HydrophobicContact CG-CD2 4.5Å; L31-F198 WeakPolarHBondContact O-CE2 3.35Å
32	T	85.9	Confident	82.1	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.2	174.3	179.5	0	0	0	0	109.1	Y24 L26 I34	Y24-T32 PolarHBondContact N-O 2.82Å; Y24-T32 VanDerWaalsContact O-CG2 3.32Å; Y24-T32 WeakPolarHBondContact O-CG2 3.42Å; Y24-T32 PolarHBondContact O-N 2.8Å; L26-T32 HydrophobicContact CD1-CG2 4.22Å; L26-T32 HydrophobicContact CD2-CG2 3.45Å; L26-T32 VanDerWaalsContact CD2-CG2 3.45Å; L26-T32 HydrophobicContact CG-CG2 3.54Å; T32-I34 WeakPolarHBondContact CG2-O 3.48Å; T32-I34 PolarHBondContact O-N 2.81Å; T32-I34 PolarHBondContact OG1-N 3.2Å; T32-I34 PolarHBondContact OG1-O 3.29Å
33	P	91.2	Very high	82.5	Confident	28 Å²	28	64.4 Å²	64.4	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-4.1	172.2	30.2	-34.5	0	0	0	113.2	G22 V195 F198	G22-P33 PolarHBondContact N-O 2.91Å; G22-P33 CarbonylContact O-C 3.03Å; G22-P33 WeakPolarHBondContact O-CA 3.42Å; G22-P33 VanDerWaalsContact O-O 3.05Å; P33-V195 HydrophobicContact CB-CG2 3.92Å; P33-V195 HydrophobicContact CG-CB 4.21Å; P33-V195 HydrophobicContact CG-CG2 3.75Å; P33-F198 HydrophobicContact CG-CB 3.83Å; P33-F198 HydrophobicContact CG-CG 4.16Å
34	I	94.1	Very high	83	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.8	-178	-169.9	172.4	0	0	0	112	V19 K20 F21 T32 I36 M174 L177 V195	V19-I34 HydrophobicContact CG1-CD1 4Å; V19-I34 HydrophobicContact CG1-CG1 4.34Å; K20-I34 CarbonylContact O-C 3.55Å; K20-I34 WeakPolarHBondContact O-CA 3.37Å; F21-I34 HydrophobicContact CD1-CB 4.38Å; F21-I34 HydrophobicContact CD1-CD1 4.35Å; F21-I34 HydrophobicContact CD1-CG1 4.22Å; F21-I34 HydrophobicContact CE1-CB 4.45Å; F21-I34 HydrophobicContact CE1-CD1 3.64Å; F21-I34 HydrophobicContact CE1-CG1 4Å; F21-I34 HydrophobicContact CZ-CD1 3.99Å; T32-I34 WeakPolarHBondContact CG2-O 3.48Å; T32-I34 PolarHBondContact O-N 2.81Å; T32-I34 PolarHBondContact OG1-N 3.2Å; T32-I34 PolarHBondContact OG1-O 3.29Å; I34-I36 HydrophobicContact CD1-CD1 4.12Å; I34-I36 HydrophobicContact CG1-CD1 4.2Å; I34-M174 HydrophobicContact CD1-SD 3.62Å; I34-L177 HydrophobicContact CD1-CD2 4.01Å; I34-V195 HydrophobicContact CB-CG1 4.06Å; I34-V195 HydrophobicContact CB-CG2 4.1Å; I34-V195 HydrophobicContact CD1-CG1 4.26Å; I34-V195 HydrophobicContact CG2-CG1 3.56Å; I34-V195 HydrophobicContact CG2-CG2 4.4Å
35	Y	91.6	Very high	83.6	Confident	68 Å²	68	60.7 Å²	60.7	27%	0.267	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.9	174.4	-173.7	-108	0	0	0	111.3	K20 Y24 D37 R39	K20-Y35 HydrophobicContact CD-CD1 4.33Å; K20-Y35 PolarHBondContact N-O 3.37Å; K20-Y35 PolarHBondContact O-N 3.11Å; Y24-Y35 HydrophobicContact CD1-CG 4.21Å; Y24-Y35 VanDerWaalsContact CD2-CB 3.44Å; Y24-Y35 VanDerWaalsContact CG-CB 3.46Å; Y24-Y35 HydrophobicContact CG-CG 4.14Å; Y35-D37 HydrophobicContact CD1-CB 4.03Å; Y35-D37 HydrophobicContact CE1-CB 3.65Å; Y35-R39 PolarHBondContact OH-NH2 2.97Å
36	I	93.2	Very high	84.9	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.3	-180	-54.4	-60.4	0	0	0	107.9	A18 V19 I34 L38 T123 M151 M174	A18-I36 CarbonylContact O-C 3.54Å; A18-I36 WeakPolarHBondContact O-CA 3.32Å; V19-I36 HydrophobicContact CB-CD1 4.3Å; V19-I36 HydrophobicContact CG1-CD1 3.93Å; V19-I36 HydrophobicContact CG2-CD1 4.06Å; I34-I36 HydrophobicContact CD1-CD1 4.12Å; I34-I36 HydrophobicContact CG1-CD1 4.2Å; I36-L38 HydrophobicContact CG2-CD1 4.21Å; I36-L38 HydrophobicContact CG2-CD2 4.36Å; I36-L38 HydrophobicContact CG2-CG 3.83Å; I36-T123 HydrophobicContact CG2-CG2 4.44Å; I36-M151 HydrophobicContact CG1-CG 4.47Å; I36-M151 HydrophobicContact CG2-CG 4.36Å; I36-M174 HydrophobicContact CD1-CE 4.17Å; I36-M174 HydrophobicContact CG1-CE 4.05Å
37	D	92.6	Very high	86.4	Confident	26 Å²	26	55.7 Å²	55.7	14%	0.139	31%	0.313	C	S	.	.			trans	-128	71.5	-175.9	-166.7	14.5	0	0	0	110.8	A18 K20 Y35 R39 V40	A18-D37 PolarHBondContact O-N 3.26Å; K20-D37 IonicContact NZ-OD2 3.57Å; K20-D37 PolarHBondContact NZ-OD2 3.03Å; Y35-D37 HydrophobicContact CD1-CB 4.03Å; Y35-D37 HydrophobicContact CE1-CB 3.65Å; D37-R39 PolarHBondContact O-N 3.42Å; D37-R39 VanDerWaalsContact O-N 3.14Å; D37-R39 IonicContact OD1-CZ 3.7Å; D37-R39 IonicContact OD1-NE 2.7Å; D37-R39 PolarHBondContact OD1-NE 3.15Å; D37-R39 IonicContact OD1-NH2 3.22Å; D37-R39 PolarHBondContact OD1-NH2 3.28Å; D37-R39 IonicContact OD2-NH2 2.75Å; D37-V40 WeakPolarHBondContact O-CG1 3.39Å; D37-V40 PolarHBondContact O-N 3.41Å
38	L	94.9	Very high	88.8	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-70.1	-7	-176.8	-66	174.3	0	0	0	113.7	L13 A18 I36 V40 L41 T75 D122 T123 L150 M151	L13-L38 HydrophobicContact CD2-CD2 3.93Å; A18-L38 HydrophobicContact CB-CD2 4.09Å; I36-L38 HydrophobicContact CG2-CD1 4.21Å; I36-L38 HydrophobicContact CG2-CD2 4.36Å; I36-L38 HydrophobicContact CG2-CG 3.83Å; L38-V40 PolarHBondContact O-N 2.96Å; L38-L41 HydrophobicContact CB-CD1 4.32Å; L38-L41 HydrophobicContact CD2-CD1 4.15Å; L38-L41 VanDerWaalsContact O-CB 3.25Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 VanDerWaalsContact O-CG 3.24Å; L38-L41 WeakPolarHBondContact O-CG 3.25Å; L38-L41 PolarHBondContact O-N 3.43Å; L38-L41 VanDerWaalsContact O-N 3.12Å; L38-T75 HydrophobicContact CB-CG2 4Å; L38-D122 HydrophobicContact CB-CB 4.2Å; L38-D122 HydrophobicContact CD1-CB 3.64Å; L38-D122 WeakPolarHBondContact CD1-O 3.38Å; L38-D122 WeakPolarHBondContact CD1-OD2 3.49Å; L38-T123 WeakPolarHBondContact CD1-OG1 3.37Å; L38-L150 HydrophobicContact CD1-CB 4.41Å; L38-L150 HydrophobicContact CD1-CD2 3.76Å; L38-L150 HydrophobicContact CD1-CG 4.4Å; L38-L150 HydrophobicContact CD2-CD2 3.88Å; L38-L150 HydrophobicContact CG-CD2 4.47Å; L38-M151 HydrophobicContact CD1-CB 4.42Å
39	R	93.8	Very high	90.7	Very high	135 Å²	135	47.6 Å²	47.6	51%	0.509	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-61.3	-26.6	172.8	-69	172.3	-65	-178.5	-2.7	112.3	Y35 D37 L41 V42 T75	Y35-R39 PolarHBondContact OH-NH2 2.97Å; D37-R39 PolarHBondContact O-N 3.42Å; D37-R39 VanDerWaalsContact O-N 3.14Å; D37-R39 IonicContact OD1-CZ 3.7Å; D37-R39 IonicContact OD1-NE 2.7Å; D37-R39 PolarHBondContact OD1-NE 3.15Å; D37-R39 IonicContact OD1-NH2 3.22Å; D37-R39 PolarHBondContact OD1-NH2 3.28Å; D37-R39 IonicContact OD2-NH2 2.75Å; R39-L41 PolarHBondContact O-N 2.94Å; R39-L41 VanDerWaalsContact O-N 3.1Å; R39-V42 VanDerWaalsContact O-CG2 3.27Å; R39-V42 WeakPolarHBondContact O-CG2 3.43Å; R39-V42 PolarHBondContact O-N 2.93Å; R39-T75 HydrophobicContact CG-CG2 3.84Å; R39-T75 WeakPolarHBondContact CG-OG1 3.26Å
40	V	94.6	Very high	92.7	Very high	37 Å²	37	48.5 Å²	48.5	22%	0.224	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.9	177.1	78.6	0	0	0	0	113	V16 A18 D37 L38 V42 S43 H44	V16-V40 HydrophobicContact CG2-CG1 3.99Å; V16-V40 WeakPolarHBondContact O-CG2 3.39Å; A18-V40 HydrophobicContact CB-CG1 3.63Å; D37-V40 WeakPolarHBondContact O-CG1 3.39Å; D37-V40 PolarHBondContact O-N 3.41Å; L38-V40 PolarHBondContact O-N 2.96Å; V40-V42 PolarHBondContact O-N 3.4Å; V40-S43 PolarHBondContact O-N 3.31Å; V40-H44 PolarHBondContact O-ND1 2.98Å
41	L	95.5	Very high	94	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.6	178.7	-68.4	-179	0	0	0	113.4	L13 L38 R39 S43 H44 L47 M48 V51 L150	L13-L41 HydrophobicContact CD2-CD1 4.35Å; L13-L41 HydrophobicContact CD2-CD2 3.79Å; L13-L41 HydrophobicContact CD2-CG 4.48Å; L38-L41 HydrophobicContact CB-CD1 4.32Å; L38-L41 HydrophobicContact CD2-CD1 4.15Å; L38-L41 VanDerWaalsContact O-CB 3.25Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 VanDerWaalsContact O-CG 3.24Å; L38-L41 WeakPolarHBondContact O-CG 3.25Å; L38-L41 PolarHBondContact O-N 3.43Å; L38-L41 VanDerWaalsContact O-N 3.12Å; R39-L41 PolarHBondContact O-N 2.94Å; R39-L41 VanDerWaalsContact O-N 3.1Å; L41-S43 PolarHBondContact O-N 3.49Å; L41-H44 CarbonylContact O-C 3.58Å; L41-H44 WeakPolarHBondContact O-CA 3.48Å; L41-H44 PolarHBondContact O-N 3.02Å; L41-L47 HydrophobicContact CD2-CB 4.43Å; L41-L47 HydrophobicContact CD2-CD2 3.55Å; L41-L47 HydrophobicContact CD2-CG 3.7Å; L41-M48 HydrophobicContact CB-CB 4.42Å; L41-M48 HydrophobicContact CB-CG 4.31Å; L41-V51 HydrophobicContact CD1-CG1 4.45Å; L41-V51 HydrophobicContact CD1-CG2 4.1Å; L41-L150 HydrophobicContact CD1-CD2 4.47Å
42	V	94.6	Very high	94.9	Very high	86 Å²	86	40.7 Å²	40.7	52%	0.521	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.1	179.2	-54.6	0	0	0	0	112.2	R39 V40 H44 M48 P78	R39-V42 VanDerWaalsContact O-CG2 3.27Å; R39-V42 WeakPolarHBondContact O-CG2 3.43Å; R39-V42 PolarHBondContact O-N 2.93Å; V40-V42 PolarHBondContact O-N 3.4Å; V42-H44 VanDerWaalsContact C-N 3.31Å; V42-M48 HydrophobicContact CG1-CE 4.16Å; V42-P78 HydrophobicContact CG1-CG 4.23Å
43	S	96.6	Very high	95.4	Very high	89 Å²	89	42.4 Å²	42.4	62%	0.622	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-85.9	-1.5	175.3	-57.6	0	0	0	0	113.3	V40 L41	V40-S43 PolarHBondContact O-N 3.31Å; L41-S43 PolarHBondContact O-N 3.49Å
44	H	97.4	Very high	95.7	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.315	23%	0.232	S	C	.	.			trans	-129.3	69	-178.2	-57.8	101.9	0	0	0	111.4	V40 L41 V42 A46 L47 M48	V40-H44 PolarHBondContact O-ND1 2.98Å; L41-H44 CarbonylContact O-C 3.58Å; L41-H44 WeakPolarHBondContact O-CA 3.48Å; L41-H44 PolarHBondContact O-N 3.02Å; V42-H44 VanDerWaalsContact C-N 3.31Å; H44-A46 VanDerWaalsContact C-N 3.27Å; H44-A46 PolarHBondContact O-N 3.38Å; H44-A46 VanDerWaalsContact O-N 3.11Å; H44-L47 HydrophobicContact CB-CB 4.08Å; H44-L47 PolarHBondContact O-N 3.35Å; H44-M48 PolarHBondContact O-N 3.34Å
45	P	96.6	Very high	95.9	Very high	85 Å²	85	41.7 Å²	41.7	55%	0.552	23%	0.233	S	C	*	.	H	α-helix	trans	-57.4	-33.8	-170.7	-26.6	35.3	0	0	0	114.7	M48 N49	P45-M48 PolarHBondContact O-N 3.15Å; P45-N49 WeakPolarHBondContact O-CB 3.35Å; P45-N49 VanDerWaalsContact O-CG 3.32Å; P45-N49 PolarHBondContact O-N 3.05Å; P45-N49 PolarHBondContact O-ND2 2.89Å
46	A	96.8	Very high	96.2	Very high	70 Å²	70	40.2 Å²	40.2	58%	0.579	23%	0.227	S	C	*	.	H	α-helix	trans	-63.8	-44.2	176.3	0	0	0	0	0	112	H44 Q50	H44-A46 VanDerWaalsContact C-N 3.27Å; H44-A46 PolarHBondContact O-N 3.38Å; H44-A46 VanDerWaalsContact O-N 3.11Å; A46-Q50 WeakPolarHBondContact O-CG 3.28Å; A46-Q50 PolarHBondContact O-N 3.05Å; A46-Q50 VanDerWaalsContact O-N 3.16Å
47	L	97.1	Very high	96.3	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-40.6	176.3	-178.4	57.5	0	0	0	111	L9 K12 L13 V16 L41 H44 N49 Q50 V51	L9-L47 HydrophobicContact CD1-CD1 3.57Å; K12-L47 HydrophobicContact CB-CD1 3.73Å; K12-L47 HydrophobicContact CB-CD2 4.26Å; K12-L47 HydrophobicContact CD-CD1 4.09Å; L13-L47 HydrophobicContact CD2-CD2 4.32Å; V16-L47 HydrophobicContact CB-CD2 4.45Å; V16-L47 HydrophobicContact CG1-CD2 3.96Å; V16-L47 HydrophobicContact CG2-CD2 3.65Å; L41-L47 HydrophobicContact CD2-CB 4.43Å; L41-L47 HydrophobicContact CD2-CD2 3.55Å; L41-L47 HydrophobicContact CD2-CG 3.7Å; H44-L47 HydrophobicContact CB-CB 4.08Å; H44-L47 PolarHBondContact O-N 3.35Å; L47-N49 VanDerWaalsContact C-N 3.32Å; L47-N49 PolarHBondContact O-N 3.33Å; L47-Q50 WeakPolarHBondContact O-CB 3.3Å; L47-Q50 PolarHBondContact O-N 3.03Å; L47-Q50 VanDerWaalsContact O-N 3.1Å; L47-V51 WeakPolarHBondContact O-CG2 3.19Å; L47-V51 PolarHBondContact O-N 2.98Å
48	M	96.8	Very high	96.5	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176.5	-162.5	173.5	-160	0	0	112.8	L41 V42 H44 P45 V51 S52 P78 L79 I82	L41-M48 HydrophobicContact CB-CB 4.42Å; L41-M48 HydrophobicContact CB-CG 4.31Å; V42-M48 HydrophobicContact CG1-CE 4.16Å; H44-M48 PolarHBondContact O-N 3.34Å; P45-M48 PolarHBondContact O-N 3.15Å; M48-V51 PolarHBondContact O-N 2.9Å; M48-S52 WeakPolarHBondContact O-CB 3.25Å; M48-S52 PolarHBondContact O-N 2.86Å; M48-S52 PolarHBondContact O-OG 2.8Å; M48-P78 HydrophobicContact CE-CB 3.38Å; M48-P78 HydrophobicContact CE-CG 3.45Å; M48-P78 VanDerWaalsContact CE-CG 3.45Å; M48-P78 HydrophobicContact SD-CB 4.46Å; M48-L79 HydrophobicContact CE-CD2 3.81Å; M48-L79 HydrophobicContact CE-CG 4.16Å; M48-L79 HydrophobicContact CG-CD2 3.78Å; M48-I82 HydrophobicContact CB-CD1 4.35Å; M48-I82 HydrophobicContact CG-CD1 3.7Å; M48-I82 HydrophobicContact SD-CD1 3.87Å
49	N	97.1	Very high	96.6	Very high	50 Å²	50	43.9 Å²	43.9	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-39.3	172.2	-80.7	-56.2	0	0	0	112.1	P45 L47 S52 S53 I82 R86	P45-N49 WeakPolarHBondContact O-CB 3.35Å; P45-N49 VanDerWaalsContact O-CG 3.32Å; P45-N49 PolarHBondContact O-N 3.05Å; P45-N49 PolarHBondContact O-ND2 2.89Å; L47-N49 VanDerWaalsContact C-N 3.32Å; L47-N49 PolarHBondContact O-N 3.33Å; N49-S52 PolarHBondContact O-N 3.23Å; N49-S53 WeakPolarHBondContact O-CB 3.48Å; N49-S53 PolarHBondContact O-N 3.35Å; N49-S53 PolarHBondContact O-OG 3.03Å; N49-I82 WeakPolarHBondContact OD1-CG2 3.3Å; N49-R86 PolarHBondContact OD1-NH1 2.72Å
50	Q	97.2	Very high	96.8	Very high	56 Å²	56	42.7 Å²	42.7	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-48.6	175.4	-72.8	172	16.8	0	0	111.1	A46 L47 S52 S53 V54	A46-Q50 WeakPolarHBondContact O-CG 3.28Å; A46-Q50 PolarHBondContact O-N 3.05Å; A46-Q50 VanDerWaalsContact O-N 3.16Å; L47-Q50 WeakPolarHBondContact O-CB 3.3Å; L47-Q50 PolarHBondContact O-N 3.03Å; L47-Q50 VanDerWaalsContact O-N 3.1Å; Q50-S52 VanDerWaalsContact C-N 3.35Å; Q50-S52 PolarHBondContact O-N 3.34Å; Q50-S53 PolarHBondContact O-N 2.87Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.34Å
51	V	97.4	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-49.7	175.4	168.9	0	0	0	0	111	L9 L13 L41 L47 M48 S53 V54 I55 L79 L150	L9-V51 HydrophobicContact CD1-CG2 3.88Å; L9-V51 HydrophobicContact CD2-CG2 4.47Å; L13-V51 HydrophobicContact CD2-CG2 4.46Å; L41-V51 HydrophobicContact CD1-CG1 4.45Å; L41-V51 HydrophobicContact CD1-CG2 4.1Å; L47-V51 WeakPolarHBondContact O-CG2 3.19Å; L47-V51 PolarHBondContact O-N 2.98Å; M48-V51 PolarHBondContact O-N 2.9Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.04Å; V51-V54 PolarHBondContact O-N 2.73Å; V51-I55 HydrophobicContact CG1-CD1 3.8Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 WeakPolarHBondContact O-CG1 3.32Å; V51-I55 PolarHBondContact O-N 2.83Å; V51-L79 HydrophobicContact CB-CD2 4.29Å; V51-L79 HydrophobicContact CG1-CD1 4.15Å; V51-L79 HydrophobicContact CG1-CD2 3.69Å; V51-L150 HydrophobicContact CG1-CD1 3.95Å; V51-L150 HydrophobicContact CG1-CD2 3.53Å; V51-L150 HydrophobicContact CG1-CG 4.24Å; V51-L150 HydrophobicContact CG2-CD2 4.13Å
52	S	97.9	Very high	96.9	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-39.7	-180	-57.4	0	0	0	0	112	M48 N49 Q50 I55 Y56 I83	M48-S52 WeakPolarHBondContact O-CB 3.25Å; M48-S52 PolarHBondContact O-N 2.86Å; M48-S52 PolarHBondContact O-OG 2.8Å; N49-S52 PolarHBondContact O-N 3.23Å; Q50-S52 VanDerWaalsContact C-N 3.35Å; Q50-S52 PolarHBondContact O-N 3.34Å; S52-I55 PolarHBondContact O-N 2.83Å; S52-Y56 PolarHBondContact O-N 2.7Å; S52-I83 WeakPolarHBondContact O-CG1 3.34Å
53	S	96.8	Very high	96.9	Very high	39 Å²	39	51.1 Å²	51.1	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-43	177.7	-55.9	0	0	0	0	111.7	N49 Q50 V51 Y56 Q57	N49-S53 WeakPolarHBondContact O-CB 3.48Å; N49-S53 PolarHBondContact O-N 3.35Å; N49-S53 PolarHBondContact O-OG 3.03Å; Q50-S53 PolarHBondContact O-N 2.87Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.04Å; S53-Y56 PolarHBondContact O-N 2.9Å; S53-Q57 VanDerWaalsContact O-CB 3.28Å; S53-Q57 WeakPolarHBondContact O-CB 3.27Å; S53-Q57 PolarHBondContact O-N 3.3Å
54	V	97.4	Very high	96.9	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-40.5	178.5	172.6	0	0	0	0	111.6	V4 I6 L9 Q50 V51 Y56 Q57 R58 I171	V4-V54 HydrophobicContact CB-CG2 4.06Å; V4-V54 HydrophobicContact CG1-CG2 4.22Å; I6-V54 HydrophobicContact CD1-CG1 3.74Å; L9-V54 HydrophobicContact CD2-CG2 4.35Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.34Å; V51-V54 PolarHBondContact O-N 2.73Å; V54-Y56 VanDerWaalsContact C-N 3.35Å; V54-Y56 PolarHBondContact O-N 3.32Å; V54-Q57 PolarHBondContact O-N 2.79Å; V54-R58 PolarHBondContact O-N 2.83Å; V54-I171 HydrophobicContact CG1-CD1 4.31Å; V54-I171 HydrophobicContact CG1-CG2 3.43Å; V54-I171 VanDerWaalsContact CG1-CG2 3.43Å
55	I	97.7	Very high	96.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-47.3	174.7	-71	170.7	0	0	0	110.4	V51 S52 R58 A59 L79 I83 I120 I148 L150 I171	V51-I55 HydrophobicContact CG1-CD1 3.8Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 WeakPolarHBondContact O-CG1 3.32Å; V51-I55 PolarHBondContact O-N 2.83Å; S52-I55 PolarHBondContact O-N 2.83Å; I55-R58 PolarHBondContact O-N 2.91Å; I55-A59 PolarHBondContact O-N 2.73Å; I55-L79 HydrophobicContact CD1-CD1 4.02Å; I55-I83 HydrophobicContact CB-CD1 4Å; I55-I83 HydrophobicContact CG2-CD1 3.53Å; I55-I120 HydrophobicContact CD1-CG2 4.22Å; I55-I120 HydrophobicContact CG2-CD1 3.68Å; I55-I120 HydrophobicContact CG2-CG1 4.49Å; I55-I120 HydrophobicContact CG2-CG2 4.03Å; I55-I148 HydrophobicContact CG2-CB 4.3Å; I55-I148 HydrophobicContact CG2-CG2 3.87Å; I55-L150 HydrophobicContact CD1-CB 4.37Å; I55-I171 HydrophobicContact CG1-CG1 4.18Å
56	Y	97.8	Very high	96.9	Very high	38 Å²	38	49.8 Å²	49.8	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-40.5	178.8	-175.9	-107.6	0	0	0	112.5	S52 S53 V54 R58 A59 Q60 F66 I83 H87 L89	S52-Y56 PolarHBondContact O-N 2.7Å; S53-Y56 PolarHBondContact O-N 2.9Å; V54-Y56 VanDerWaalsContact C-N 3.35Å; V54-Y56 PolarHBondContact O-N 3.32Å; Y56-R58 VanDerWaalsContact C-N 3.27Å; Y56-R58 PolarHBondContact O-N 2.65Å; Y56-A59 WeakPolarHBondContact O-CA 3.47Å; Y56-A59 VanDerWaalsContact O-CB 3.26Å; Y56-A59 WeakPolarHBondContact O-CB 3.33Å; Y56-A59 PolarHBondContact O-N 3.13Å; Y56-Q60 HydrophobicContact CD1-CG 4.15Å; Y56-Q60 HydrophobicContact CE1-CG 3.78Å; Y56-Q60 PolarHBondContact O-N 3.18Å; Y56-Q60 VanDerWaalsContact O-N 3.1Å; Y56-F66 HydrophobicContact CE2-CZ 4.36Å; Y56-I83 HydrophobicContact CD2-CG2 3.62Å; Y56-I83 HydrophobicContact CE2-CG2 4.44Å; Y56-I83 HydrophobicContact CG-CG2 4.13Å; Y56-H87 AromaticContact CD1-CD2 3.5Å; Y56-H87 VanDerWaalsContact CD1-CD2 3.5Å; Y56-H87 WeakPolarHBondContact CD1-CD2 3.2Å; Y56-H87 AromaticContact CD1-CE1 3.41Å; Y56-H87 VanDerWaalsContact CD1-CE1 3.41Å; Y56-H87 WeakPolarHBondContact CD1-CE1 3.34Å; Y56-H87 AromaticContact CD1-CG 3.9Å; Y56-H87 AromaticContact CD1-ND1 3.85Å; Y56-H87 AromaticContact CD1-NE2 3.2Å; Y56-H87 WeakPolarHBondContact CD1-NE2 3.45Å; Y56-H87 HydrophobicContact CE1-CB 4.37Å; Y56-H87 AromaticContact CE1-CD2 3.63Å; Y56-H87 AromaticContact CE1-CE1 3.32Å; Y56-H87 WeakPolarHBondContact CE1-CE1 3.4Å; Y56-H87 AromaticContact CE1-CG 3.51Å; Y56-H87 AromaticContact CE1-ND1 3.31Å; Y56-H87 VanDerWaalsContact CE1-ND1 3.31Å; Y56-H87 WeakPolarHBondContact CE1-ND1 3.35Å; Y56-H87 AromaticContact CE1-NE2 3.55Å; Y56-H87 HydrophobicContact CE2-CB 4.3Å; Y56-H87 AromaticContact CG-CD2 3.69Å; Y56-H87 AromaticContact CG-NE2 3.74Å; Y56-H87 AromaticContact CZ-CD2 3.97Å; Y56-H87 AromaticContact CZ-CG 3.62Å; Y56-H87 AromaticContact CZ-ND1 3.78Å; Y56-L89 HydrophobicContact CD2-CD1 4.4Å; Y56-L89 HydrophobicContact CE2-CD1 3.71Å
57	Q	96.5	Very high	97	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-56.6	-42.1	175.3	-179.8	179.3	-20.4	0	0	111.3	S53 V54 A59 Q60 E61	S53-Q57 VanDerWaalsContact O-CB 3.28Å; S53-Q57 WeakPolarHBondContact O-CB 3.27Å; S53-Q57 PolarHBondContact O-N 3.3Å; V54-Q57 PolarHBondContact O-N 2.79Å; Q57-A59 VanDerWaalsContact C-N 3.29Å; Q57-A59 PolarHBondContact O-N 2.86Å; Q57-Q60 WeakPolarHBondContact O-CB 3.42Å; Q57-Q60 PolarHBondContact O-N 3.31Å; Q57-Q60 VanDerWaalsContact O-N 3.08Å; Q57-E61 HydrophobicContact CG-CG 4.35Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.45Å; Q57-E61 PolarHBondContact NE2-OE1 2.96Å; Q57-E61 WeakPolarHBondContact O-CG 3.27Å; Q57-E61 PolarHBondContact O-N 2.7Å
58	R	96.4	Very high	97	Very high	54 Å²	54	49.7 Å²	49.7	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-38.9	174.5	178.6	60	70.5	82.3	11.6	112.4	V54 I55 Y56 Q60 E61 E62 I148 L169 P170 I171	V54-R58 PolarHBondContact O-N 2.83Å; I55-R58 PolarHBondContact O-N 2.91Å; Y56-R58 VanDerWaalsContact C-N 3.27Å; Y56-R58 PolarHBondContact O-N 2.65Å; R58-Q60 VanDerWaalsContact C-N 3.26Å; R58-Q60 PolarHBondContact O-N 3.47Å; R58-E61 IonicContact NE-OE2 2.74Å; R58-E61 PolarHBondContact O-N 3Å; R58-E62 HydrophobicContact CG-CG 4.39Å; R58-E62 WeakPolarHBondContact O-CB 3.34Å; R58-E62 VanDerWaalsContact O-CG 3.28Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.32Å; R58-E62 VanDerWaalsContact O-N 3.08Å; R58-I148 HydrophobicContact CG-CD1 4.47Å; R58-L169 HydrophobicContact CG-CB 4.39Å; R58-P170 PolarHBondContact NH1-O 3.02Å; R58-P170 PolarHBondContact NH2-O 3.39Å; R58-I171 HydrophobicContact CB-CD1 3.39Å; R58-I171 HydrophobicContact CG-CD1 3.75Å
59	A	97.1	Very high	97.1	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-38	175.9	0	0	0	0	0	111.7	I55 Y56 Q57 N63 L64 F66 L118 I148	I55-A59 PolarHBondContact O-N 2.73Å; Y56-A59 WeakPolarHBondContact O-CA 3.47Å; Y56-A59 VanDerWaalsContact O-CB 3.26Å; Y56-A59 WeakPolarHBondContact O-CB 3.33Å; Y56-A59 PolarHBondContact O-N 3.13Å; Q57-A59 VanDerWaalsContact C-N 3.29Å; Q57-A59 PolarHBondContact O-N 2.86Å; A59-N63 PolarHBondContact O-N 3.22Å; A59-L64 HydrophobicContact CB-CD1 4.11Å; A59-L64 PolarHBondContact O-N 3.3Å; A59-F66 HydrophobicContact CB-CE1 4.29Å; A59-L118 HydrophobicContact CB-CD2 4.22Å; A59-I148 HydrophobicContact CB-CD1 3.55Å
60	Q	96.7	Very high	97.1	Very high	110 Å²	110	46.8 Å²	46.8	51%	0.514	23%	0.228	S	C	.	.	H	α-helix	trans	-70.7	-45.7	177.6	-61.9	-176.2	-66.6	0	0	112	Y56 Q57 R58 E62 N63	Y56-Q60 HydrophobicContact CD1-CG 4.15Å; Y56-Q60 HydrophobicContact CE1-CG 3.78Å; Y56-Q60 PolarHBondContact O-N 3.18Å; Y56-Q60 VanDerWaalsContact O-N 3.1Å; Q57-Q60 WeakPolarHBondContact O-CB 3.42Å; Q57-Q60 PolarHBondContact O-N 3.31Å; Q57-Q60 VanDerWaalsContact O-N 3.08Å; R58-Q60 VanDerWaalsContact C-N 3.26Å; R58-Q60 PolarHBondContact O-N 3.47Å; Q60-E62 PolarHBondContact O-N 3.01Å; Q60-N63 PolarHBondContact O-N 2.84Å
61	E	96.1	Very high	97.2	Very high	107 Å²	107	44.1 Å²	44.1	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-58.3	-38.3	177.5	-72.7	169	177.1	0	0	111.8	Q57 R58 N63	Q57-E61 HydrophobicContact CG-CG 4.35Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.45Å; Q57-E61 PolarHBondContact NE2-OE1 2.96Å; Q57-E61 WeakPolarHBondContact O-CG 3.27Å; Q57-E61 PolarHBondContact O-N 2.7Å; R58-E61 IonicContact NE-OE2 2.74Å; R58-E61 PolarHBondContact O-N 3Å; E61-N63 VanDerWaalsContact C-N 3.27Å; E61-N63 PolarHBondContact O-N 3.25Å; E61-N63 PolarHBondContact O-ND2 3.02Å
62	E	96.5	Very high	97.1	Very high	71 Å²	71	44.4 Å²	44.4	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	1.2	178.5	-63.1	-68.7	-175.3	0	0	113.4	R58 Q60 L64 R167 L169	R58-E62 HydrophobicContact CG-CG 4.39Å; R58-E62 WeakPolarHBondContact O-CB 3.34Å; R58-E62 VanDerWaalsContact O-CG 3.28Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.32Å; R58-E62 VanDerWaalsContact O-N 3.08Å; Q60-E62 PolarHBondContact O-N 3.01Å; E62-L64 HydrophobicContact CB-CD2 3.81Å; E62-L64 HydrophobicContact CB-CG 3.95Å; E62-L64 PolarHBondContact O-N 3.24Å; E62-R167 IonicContact OE1-NH2 3.45Å; E62-R167 IonicContact OE2-CZ 3.3Å; E62-R167 IonicContact OE2-NH2 2.96Å; E62-R167 PolarHBondContact OE2-NH2 3.03Å; E62-L169 HydrophobicContact CB-CD1 4.17Å; E62-L169 HydrophobicContact CG-CD1 3.91Å; E62-L169 HydrophobicContact CG-CD2 4.16Å
63	N	96	Very high	96.8	Very high	124 Å²	124	45.4 Å²	45.4	66%	0.663	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.9	-179.4	-60.9	-79.3	0	0	0	113.7	A59 Q60 E61 Q65	A59-N63 PolarHBondContact O-N 3.22Å; Q60-N63 PolarHBondContact O-N 2.84Å; E61-N63 VanDerWaalsContact C-N 3.27Å; E61-N63 PolarHBondContact O-N 3.25Å; E61-N63 PolarHBondContact O-ND2 3.02Å; N63-Q65 PolarHBondContact O-NE2 3.14Å; N63-Q65 VanDerWaalsContact O-NE2 3.11Å
64	L	96.8	Very high	96.4	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.099	24%	0.235	C	C	.	.			trans	-62.9	137.7	-176.4	-57.4	-174.1	0	0	0	111.3	A59 E62 F66 L118 D146 I148 L169	A59-L64 HydrophobicContact CB-CD1 4.11Å; A59-L64 PolarHBondContact O-N 3.3Å; E62-L64 HydrophobicContact CB-CD2 3.81Å; E62-L64 HydrophobicContact CB-CG 3.95Å; E62-L64 PolarHBondContact O-N 3.24Å; L64-F66 HydrophobicContact CB-CD1 4.03Å; L64-F66 HydrophobicContact CB-CE1 4.22Å; L64-L118 HydrophobicContact CD1-CD1 3.95Å; L64-L118 HydrophobicContact CD1-CD2 4.49Å; L64-D146 HydrophobicContact CD1-CB 4.12Å; L64-D146 HydrophobicContact CD2-CB 4.36Å; L64-I148 HydrophobicContact CD1-CD1 3.98Å; L64-I148 HydrophobicContact CD1-CG1 4.3Å; L64-L169 HydrophobicContact CD1-CD1 3.81Å; L64-L169 HydrophobicContact CD2-CD1 4.14Å; L64-L169 HydrophobicContact CG-CD1 4.41Å
65	Q	95.2	Very high	96.1	Very high	153 Å²	153	50.7 Å²	50.7	72%	0.715	24%	0.24	S	C	*	.			trans	-106.7	117.2	176.6	-59.2	-57.2	-56	0	0	109.4	N63	N63-Q65 PolarHBondContact O-NE2 3.14Å; N63-Q65 VanDerWaalsContact O-NE2 3.11Å
66	F	97.6	Very high	96	Very high	42 Å²	42	50.6 Å²	50.6	18%	0.184	24%	0.24	C	C	.	.			trans	-150.4	150.6	179.7	57.5	-88.9	0	0	0	111	Y56 A59 L64 V69 L89 T116 L118	Y56-F66 HydrophobicContact CE2-CZ 4.36Å; A59-F66 HydrophobicContact CB-CE1 4.29Å; L64-F66 HydrophobicContact CB-CD1 4.03Å; L64-F66 HydrophobicContact CB-CE1 4.22Å; F66-V69 HydrophobicContact CD2-CG2 3.93Å; F66-V69 HydrophobicContact CE2-CG2 3.56Å; F66-V69 HydrophobicContact CZ-CG2 4.44Å; F66-L89 HydrophobicContact CE2-CD1 4Å; F66-L89 HydrophobicContact CE2-CD2 4.38Å; F66-L89 HydrophobicContact CZ-CD1 4.33Å; F66-T116 HydrophobicContact CB-CG2 4.35Å; F66-L118 HydrophobicContact CB-CB 3.94Å; F66-L118 HydrophobicContact CD1-CB 4.06Å; F66-L118 HydrophobicContact CD1-CD2 3.84Å; F66-L118 HydrophobicContact CD2-CB 4.01Å; F66-L118 HydrophobicContact CD2-CD2 4.45Å; F66-L118 HydrophobicContact CE1-CD2 3.64Å; F66-L118 HydrophobicContact CE2-CD2 4.28Å; F66-L118 HydrophobicContact CG-CB 3.73Å; F66-L118 HydrophobicContact CG-CD2 4.25Å; F66-L118 HydrophobicContact CZ-CD2 3.88Å
67	N	98.3	Very high	95.9	Very high	80 Å²	80	50.1 Å²	50.1	43%	0.428	24%	0.24	S	C	.	.	S	Bend	trans	-94.3	-27.3	179.1	-58.8	89.8	0	0	0	111.9	P90 D115 T116	N67-P90 WeakPolarHBondContact O-CD 3.32Å; N67-P90 WeakPolarHBondContact O-CG 3.37Å; N67-D115 HydrophobicContact CB-CB 3.96Å; N67-T116 PolarHBondContact N-O 2.91Å; N67-T116 PolarHBondContact OD1-N 3.46Å
68	S	98.1	Very high	96	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.9	-177.2	63.4	0	0	0	0	111.9	P90 L92 T116 C117 L118	S68-P90 CarbonylContact C-O 3.58Å; S68-P90 VanDerWaalsContact CA-O 3.25Å; S68-P90 WeakPolarHBondContact CA-O 3.47Å; S68-P90 WeakPolarHBondContact CB-O 3.05Å; S68-L92 WeakPolarHBondContact OG-CD1 3.38Å; S68-T116 PolarHBondContact N-O 2.69Å; S68-C117 WeakPolarHBondContact O-CA 3.22Å; S68-C117 PolarHBondContact OG-SG 3.49Å; S68-C117 VanDerWaalsContact OG-SG 3.38Å; S68-L118 PolarHBondContact O-N 3.31Å
69	V	98.6	Very high	96	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.9	177	-175.8	0	0	0	0	110.1	F66 A80 L89 P90 M91 L92 L118 I120	F66-V69 HydrophobicContact CD2-CG2 3.93Å; F66-V69 HydrophobicContact CE2-CG2 3.56Å; F66-V69 HydrophobicContact CZ-CG2 4.44Å; V69-A80 HydrophobicContact CG1-CB 4.16Å; V69-L89 HydrophobicContact CG2-CD1 4.42Å; V69-P90 PolarHBondContact N-O 2.9Å; V69-M91 WeakPolarHBondContact O-CA 3.48Å; V69-L92 PolarHBondContact O-N 3.32Å; V69-L118 CarbonylContact C-O 3.46Å; V69-L118 WeakPolarHBondContact CA-O 3.39Å; V69-L118 HydrophobicContact CG2-CB 4.47Å; V69-I120 HydrophobicContact CG1-CD1 4.24Å; V69-I120 HydrophobicContact CG1-CG1 3.44Å; V69-I120 VanDerWaalsContact CG1-CG1 3.44Å
70	C	98.3	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.3	174	-173.3	0	0	0	0	110.5	L92 C117 L118 I119 I120 L137	C70-L92 HydrophobicContact CB-CB 4.19Å; C70-C117 VanDerWaalsContact CB-SG 3.57Å; C70-L118 PolarHBondContact N-O 3.11Å; C70-I119 WeakPolarHBondContact O-CA 3.37Å; C70-I120 PolarHBondContact O-N 2.85Å; C70-L137 HydrophobicContact CB-CD1 4.14Å
71	G	97.6	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.7	170	0	0	0	0	0	111	P73 L77 I120	G71-P73 WeakPolarHBondContact O-CD 3.31Å; G71-L77 VanDerWaalsContact O-CD2 3.28Å; G71-L77 WeakPolarHBondContact O-CD2 3.35Å; G71-I120 WeakPolarHBondContact CA-O 3.42Å
72	V	96.4	Very high	96.2	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-67.6	129.7	171.8	-176.6	0	0	0	0	110.1	A76 I119 I120 E121 I130	V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.1Å; V72-I119 HydrophobicContact CG2-CG2 3.53Å; V72-I120 PolarHBondContact N-O 3.16Å; V72-E121 WeakPolarHBondContact CB-OE2 3.45Å; V72-E121 WeakPolarHBondContact CG1-OE2 3.2Å; V72-E121 HydrophobicContact CG2-CB 4.24Å; V72-E121 WeakPolarHBondContact CG2-OE2 3.42Å; V72-I130 HydrophobicContact CG2-CG1 4.27Å
73	P	91.1	Very high	96.3	Very high	24 Å²	24	37.5 Å²	37.5	16%	0.156	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	139.1	-178.9	-23.9	34.5	0	0	0	113.9	G71 L77 R94	G71-P73 WeakPolarHBondContact O-CD 3.31Å; P73-L77 HydrophobicContact CB-CD1 4.14Å; P73-L77 HydrophobicContact CG-CD1 4.41Å; P73-R94 WeakPolarHBondContact CG-O 3.46Å
74	Y	87.9	Confident	96.4	Very high	132 Å²	132	32 Å²	32	52%	0.518	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	cis	-106.8	-25.1	-0.5	-70.2	-74.3	0	0	0	113.3	A76 L77 P78 K96	Y74-A76 PolarHBondContact O-N 3.08Å; Y74-L77 HydrophobicContact CD1-CD1 3.98Å; Y74-L77 WeakPolarHBondContact O-CB 3.43Å; Y74-L77 PolarHBondContact O-N 3.28Å; Y74-P78 WeakPolarHBondContact O-CD 3.42Å; Y74-K96 HydrophobicContact CE2-CD 3.89Å
75	T	91.2	Very high	96.5	Very high	29 Å²	29	35.6 Å²	35.6	18%	0.178	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-37.1	-168.9	-46.1	0	0	0	0	112.6	L38 R39 L77 P78 D122	L38-T75 HydrophobicContact CB-CG2 4Å; R39-T75 HydrophobicContact CG-CG2 3.84Å; R39-T75 WeakPolarHBondContact CG-OG1 3.26Å; T75-L77 VanDerWaalsContact C-N 3.35Å; T75-P78 WeakPolarHBondContact O-CD 3.19Å; T75-D122 VanDerWaalsContact CB-OD1 3.24Å; T75-D122 WeakPolarHBondContact CB-OD1 3.46Å; T75-D122 HydrophobicContact CG2-CB 3.8Å
76	A	96.7	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-81.3	-12.5	-178.7	0	0	0	0	0	113.6	V72 Y74 L79 A80 I120	V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.1Å; Y74-A76 PolarHBondContact O-N 3.08Å; A76-L79 WeakPolarHBondContact O-CB 3.38Å; A76-L79 PolarHBondContact O-N 3.1Å; A76-A80 PolarHBondContact O-N 3.19Å; A76-I120 WeakPolarHBondContact CB-O 3.46Å
77	L	96	Very high	96.6	Very high	27 Å²	27	36.2 Å²	36.2	14%	0.141	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-54.8	176.8	-70.5	173.1	0	0	0	112.6	G71 P73 Y74 T75 L79 A80 T81 M91 I93	G71-L77 VanDerWaalsContact O-CD2 3.28Å; G71-L77 WeakPolarHBondContact O-CD2 3.35Å; P73-L77 HydrophobicContact CB-CD1 4.14Å; P73-L77 HydrophobicContact CG-CD1 4.41Å; Y74-L77 HydrophobicContact CD1-CD1 3.98Å; Y74-L77 WeakPolarHBondContact O-CB 3.43Å; Y74-L77 PolarHBondContact O-N 3.28Å; T75-L77 VanDerWaalsContact C-N 3.35Å; L77-L79 VanDerWaalsContact C-N 3.26Å; L77-L79 PolarHBondContact O-N 2.82Å; L77-A80 PolarHBondContact O-N 3.37Å; L77-A80 VanDerWaalsContact O-N 3.16Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.39Å; L77-M91 HydrophobicContact CD2-CE 4.18Å; L77-I93 HydrophobicContact CD2-CG2 4.21Å
78	P	96.9	Very high	96.5	Very high	40 Å²	40	41.2 Å²	41.2	26%	0.26	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-26	179.1	24.4	-35.2	0	0	0	113.7	V42 M48 Y74 T75 I82	V42-P78 HydrophobicContact CG1-CG 4.23Å; M48-P78 HydrophobicContact CE-CB 3.38Å; M48-P78 HydrophobicContact CE-CG 3.45Å; M48-P78 VanDerWaalsContact CE-CG 3.45Å; M48-P78 HydrophobicContact SD-CB 4.46Å; Y74-P78 WeakPolarHBondContact O-CD 3.42Å; T75-P78 WeakPolarHBondContact O-CD 3.19Å; P78-I82 VanDerWaalsContact O-CG1 3.32Å; P78-I82 WeakPolarHBondContact O-CG1 3.44Å; P78-I82 PolarHBondContact O-N 3.06Å; P78-I82 VanDerWaalsContact O-N 3.09Å
79	L	97.9	Very high	96.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-50.3	170.3	-62.9	176.9	0	0	0	110.7	M48 V51 I55 A76 L77 T81 I82 I83	M48-L79 HydrophobicContact CE-CD2 3.81Å; M48-L79 HydrophobicContact CE-CG 4.16Å; M48-L79 HydrophobicContact CG-CD2 3.78Å; V51-L79 HydrophobicContact CB-CD2 4.29Å; V51-L79 HydrophobicContact CG1-CD1 4.15Å; V51-L79 HydrophobicContact CG1-CD2 3.69Å; I55-L79 HydrophobicContact CD1-CD1 4.02Å; A76-L79 WeakPolarHBondContact O-CB 3.38Å; A76-L79 PolarHBondContact O-N 3.1Å; L77-L79 VanDerWaalsContact C-N 3.26Å; L77-L79 PolarHBondContact O-N 2.82Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 2.81Å; L79-I82 PolarHBondContact O-N 3.46Å; L79-I83 WeakPolarHBondContact O-CG1 3.32Å; L79-I83 PolarHBondContact O-N 3.47Å
80	A	97.9	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-38.9	176	0	0	0	0	0	112.1	V69 A76 L77 I82 I83 C84 M91 I120	V69-A80 HydrophobicContact CG1-CB 4.16Å; A76-A80 PolarHBondContact O-N 3.19Å; L77-A80 PolarHBondContact O-N 3.37Å; L77-A80 VanDerWaalsContact O-N 3.16Å; A80-I82 PolarHBondContact O-N 2.83Å; A80-I83 PolarHBondContact O-N 3.25Å; A80-C84 WeakPolarHBondContact O-CB 3.32Å; A80-C84 PolarHBondContact O-N 3.41Å; A80-C84 PolarHBondContact O-SG 3.21Å; A80-M91 HydrophobicContact CB-CE 3.77Å; A80-I120 HydrophobicContact CB-CB 4.45Å; A80-I120 HydrophobicContact CB-CG1 4.5Å
81	T	97.9	Very high	96.4	Very high	67 Å²	67	48.2 Å²	48.2	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-46.2	174.7	-59.9	0	0	0	0	111.9	L77 L79 C84 S85 M91	L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.39Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 2.81Å; T81-C84 PolarHBondContact O-N 2.74Å; T81-S85 WeakPolarHBondContact O-CB 3.41Å; T81-S85 PolarHBondContact O-N 3.27Å; T81-M91 VanDerWaalsContact CA-SD 3.57Å; T81-M91 WeakPolarHBondContact OG1-CE 3Å; T81-M91 PolarHBondContact OG1-SD 3.4Å; T81-M91 VanDerWaalsContact OG1-SD 3.34Å
82	I	98.3	Very high	96.3	Very high	33 Å²	33	48.2 Å²	48.2	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-45.2	178.7	-69.2	166.2	0	0	0	110.6	M48 N49 P78 L79 A80 S85 R86	M48-I82 HydrophobicContact CB-CD1 4.35Å; M48-I82 HydrophobicContact CG-CD1 3.7Å; M48-I82 HydrophobicContact SD-CD1 3.87Å; N49-I82 WeakPolarHBondContact OD1-CG2 3.3Å; P78-I82 VanDerWaalsContact O-CG1 3.32Å; P78-I82 WeakPolarHBondContact O-CG1 3.44Å; P78-I82 PolarHBondContact O-N 3.06Å; P78-I82 VanDerWaalsContact O-N 3.09Å; L79-I82 PolarHBondContact O-N 3.46Å; A80-I82 PolarHBondContact O-N 2.83Å; I82-S85 PolarHBondContact O-N 2.86Å; I82-R86 HydrophobicContact CG2-CG 4.29Å; I82-R86 WeakPolarHBondContact O-CB 3.31Å; I82-R86 VanDerWaalsContact O-CG 3.25Å; I82-R86 WeakPolarHBondContact O-CG 3.5Å; I82-R86 PolarHBondContact O-N 3.45Å
83	I	98.3	Very high	96.3	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-53	177.5	-66.4	167.4	0	0	0	110.1	S52 I55 Y56 L79 A80 S85 R86 H87 L89 I120	S52-I83 WeakPolarHBondContact O-CG1 3.34Å; I55-I83 HydrophobicContact CB-CD1 4Å; I55-I83 HydrophobicContact CG2-CD1 3.53Å; Y56-I83 HydrophobicContact CD2-CG2 3.62Å; Y56-I83 HydrophobicContact CE2-CG2 4.44Å; Y56-I83 HydrophobicContact CG-CG2 4.13Å; L79-I83 WeakPolarHBondContact O-CG1 3.32Å; L79-I83 PolarHBondContact O-N 3.47Å; A80-I83 PolarHBondContact O-N 3.25Å; I83-S85 PolarHBondContact O-N 2.83Å; I83-R86 PolarHBondContact O-N 3.17Å; I83-H87 WeakPolarHBondContact O-CB 3.5Å; I83-H87 PolarHBondContact O-CD2 2.88Å; I83-H87 VanDerWaalsContact O-CD2 3.27Å; I83-H87 PolarHBondContact O-N 3.4Å; I83-H87 VanDerWaalsContact O-N 3.11Å; I83-L89 HydrophobicContact CG2-CD1 4.4Å; I83-I120 HydrophobicContact CD1-CG1 4.42Å
84	C	98.3	Very high	96.3	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.054	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-42.9	-177.6	-65.1	0	0	0	0	112.2	A80 T81 R86 E88 L89 M91	A80-C84 WeakPolarHBondContact O-CB 3.32Å; A80-C84 PolarHBondContact O-N 3.41Å; A80-C84 PolarHBondContact O-SG 3.21Å; T81-C84 PolarHBondContact O-N 2.74Å; C84-R86 PolarHBondContact O-N 3.31Å; C84-E88 WeakPolarHBondContact O-CA 3.5Å; C84-E88 PolarHBondContact O-N 3.24Å; C84-L89 HydrophobicContact CB-CB 4.45Å; C84-L89 WeakPolarHBondContact CB-O 3.35Å; C84-L89 PolarHBondContact O-N 3.3Å; C84-M91 HydrophobicContact CB-CB 3.93Å
85	S	98	Very high	96	Very high	96 Å²	96	48.8 Å²	48.8	67%	0.671	25%	0.25	S	C	*	.	H	α-helix	trans	-66.8	-35	-180	-178.2	0	0	0	0	112.9	T81 I82 I83	T81-S85 WeakPolarHBondContact O-CB 3.41Å; T81-S85 PolarHBondContact O-N 3.27Å; I82-S85 PolarHBondContact O-N 2.86Å; I83-S85 PolarHBondContact O-N 2.83Å
86	R	97.6	Very high	95.1	Very high	141 Å²	141	53 Å²	53	53%	0.532	27%	0.266	S	S	.	.	H	α-helix	trans	-80.7	-26.9	-178.3	-70.5	-178.1	86.4	108.7	8.1	113.3	N49 I82 I83 C84	N49-R86 PolarHBondContact OD1-NH1 2.72Å; I82-R86 HydrophobicContact CG2-CG 4.29Å; I82-R86 WeakPolarHBondContact O-CB 3.31Å; I82-R86 VanDerWaalsContact O-CG 3.25Å; I82-R86 WeakPolarHBondContact O-CG 3.5Å; I82-R86 PolarHBondContact O-N 3.45Å; I83-R86 PolarHBondContact O-N 3.17Å; C84-R86 PolarHBondContact O-N 3.31Å
87	H	97.1	Very high	94.1	Very high	66 Å²	66	59.3 Å²	59.3	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-112.7	9	-175.1	-62.3	-69.5	0	0	0	113.2	Y56 I83 L89	Y56-H87 AromaticContact CD1-CD2 3.5Å; Y56-H87 VanDerWaalsContact CD1-CD2 3.5Å; Y56-H87 WeakPolarHBondContact CD1-CD2 3.2Å; Y56-H87 AromaticContact CD1-CE1 3.41Å; Y56-H87 VanDerWaalsContact CD1-CE1 3.41Å; Y56-H87 WeakPolarHBondContact CD1-CE1 3.34Å; Y56-H87 AromaticContact CD1-CG 3.9Å; Y56-H87 AromaticContact CD1-ND1 3.85Å; Y56-H87 AromaticContact CD1-NE2 3.2Å; Y56-H87 WeakPolarHBondContact CD1-NE2 3.45Å; Y56-H87 HydrophobicContact CE1-CB 4.37Å; Y56-H87 AromaticContact CE1-CD2 3.63Å; Y56-H87 AromaticContact CE1-CE1 3.32Å; Y56-H87 WeakPolarHBondContact CE1-CE1 3.4Å; Y56-H87 AromaticContact CE1-CG 3.51Å; Y56-H87 AromaticContact CE1-ND1 3.31Å; Y56-H87 VanDerWaalsContact CE1-ND1 3.31Å; Y56-H87 WeakPolarHBondContact CE1-ND1 3.35Å; Y56-H87 AromaticContact CE1-NE2 3.55Å; Y56-H87 HydrophobicContact CE2-CB 4.3Å; Y56-H87 AromaticContact CG-CD2 3.69Å; Y56-H87 AromaticContact CG-NE2 3.74Å; Y56-H87 AromaticContact CZ-CD2 3.97Å; Y56-H87 AromaticContact CZ-CG 3.62Å; Y56-H87 AromaticContact CZ-ND1 3.78Å; I83-H87 WeakPolarHBondContact O-CB 3.5Å; I83-H87 PolarHBondContact O-CD2 2.88Å; I83-H87 VanDerWaalsContact O-CD2 3.27Å; I83-H87 PolarHBondContact O-N 3.4Å; I83-H87 VanDerWaalsContact O-N 3.11Å; H87-L89 VanDerWaalsContact C-N 3.28Å; H87-L89 HydrophobicContact CB-CD1 3.81Å; H87-L89 HydrophobicContact CB-CG 4Å; H87-L89 PolarHBondContact O-N 3.08Å
88	E	96.6	Very high	92.6	Very high	185 Å²	185	60.7 Å²	60.7	86%	0.864	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	40.9	177.4	-57.2	-177.6	168	0	0	113	C84	C84-E88 WeakPolarHBondContact O-CA 3.5Å; C84-E88 PolarHBondContact O-N 3.24Å
89	L	96.8	Very high	90.7	Very high	43 Å²	43	62.4 Å²	62.4	23%	0.225	31%	0.314	C	S	.	.			trans	-98.2	145.3	-178.4	-59.8	163.6	0	0	0	111.5	Y56 F66 V69 I83 C84 H87 M91	Y56-L89 HydrophobicContact CD2-CD1 4.4Å; Y56-L89 HydrophobicContact CE2-CD1 3.71Å; F66-L89 HydrophobicContact CE2-CD1 4Å; F66-L89 HydrophobicContact CE2-CD2 4.38Å; F66-L89 HydrophobicContact CZ-CD1 4.33Å; V69-L89 HydrophobicContact CG2-CD1 4.42Å; I83-L89 HydrophobicContact CG2-CD1 4.4Å; C84-L89 HydrophobicContact CB-CB 4.45Å; C84-L89 WeakPolarHBondContact CB-O 3.35Å; C84-L89 PolarHBondContact O-N 3.3Å; H87-L89 VanDerWaalsContact C-N 3.28Å; H87-L89 HydrophobicContact CB-CD1 3.81Å; H87-L89 HydrophobicContact CB-CG 4Å; H87-L89 PolarHBondContact O-N 3.08Å; L89-M91 PolarHBondContact O-N 2.92Å
90	P	97.4	Very high	88.2	Confident	67 Å²	67	69.6 Å²	69.6	44%	0.435	35%	0.352	S	S	.	.			trans	-60.8	130.3	169.2	-23.7	34.8	0	0	0	112	N67 S68 V69	N67-P90 WeakPolarHBondContact O-CD 3.32Å; N67-P90 WeakPolarHBondContact O-CG 3.37Å; S68-P90 CarbonylContact C-O 3.58Å; S68-P90 VanDerWaalsContact CA-O 3.25Å; S68-P90 WeakPolarHBondContact CA-O 3.47Å; S68-P90 WeakPolarHBondContact CB-O 3.05Å; V69-P90 PolarHBondContact N-O 2.9Å
91	M	97.5	Very high	85.9	Confident	42 Å²	42	78 Å²	78	21%	0.207	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.3	174.9	-170.7	-179.9	175.6	0	0	110.4	V69 L77 A80 T81 C84 L89 I93	V69-M91 WeakPolarHBondContact O-CA 3.48Å; L77-M91 HydrophobicContact CD2-CE 4.18Å; A80-M91 HydrophobicContact CB-CE 3.77Å; T81-M91 VanDerWaalsContact CA-SD 3.57Å; T81-M91 WeakPolarHBondContact OG1-CE 3Å; T81-M91 PolarHBondContact OG1-SD 3.4Å; T81-M91 VanDerWaalsContact OG1-SD 3.34Å; C84-M91 HydrophobicContact CB-CB 3.93Å; L89-M91 PolarHBondContact O-N 2.92Å; M91-I93 HydrophobicContact CE-CG1 4.07Å
92	L	97.1	Very high	83.9	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.3	166.5	-55.3	-174.6	0	0	0	110.1	S68 V69 C70 V107 E108 F111 C117 L137 L142	S68-L92 WeakPolarHBondContact OG-CD1 3.38Å; V69-L92 PolarHBondContact O-N 3.32Å; C70-L92 HydrophobicContact CB-CB 4.19Å; L92-V107 HydrophobicContact CB-CG1 4.11Å; L92-V107 HydrophobicContact CD1-CG1 4.21Å; L92-E108 CarbonylContact C-O 3.6Å; L92-E108 WeakPolarHBondContact CA-O 3.4Å; L92-F111 HydrophobicContact CD1-CD1 4.24Å; L92-F111 HydrophobicContact CD2-CB 4.4Å; L92-F111 HydrophobicContact CD2-CD1 3.75Å; L92-F111 HydrophobicContact CD2-CG 4.49Å; L92-C117 HydrophobicContact CD1-CB 4.49Å; L92-L137 HydrophobicContact CD1-CD2 4.08Å; L92-L142 HydrophobicContact CD1-CD1 3.41Å; L92-L142 VanDerWaalsContact CD1-CD1 3.41Å; L92-L142 HydrophobicContact CD1-CD2 4.49Å
93	I	95.1	Very high	82	Confident	74 Å²	74	81.4 Å²	81.4	38%	0.379	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.5	173.5	-61.2	171.6	0	0	0	108.2	L77 M91 E108	L77-I93 HydrophobicContact CD2-CG2 4.21Å; M91-I93 HydrophobicContact CE-CG1 4.07Å; I93-E108 HydrophobicContact CB-CB 4.27Å; I93-E108 PolarHBondContact N-O 2.99Å; I93-E108 PolarHBondContact O-N 3.11Å
94	R	90.8	Very high	80.5	Confident	28 Å²	28	88.1 Å²	88.1	11%	0.106	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125	167.4	179.3	-108.2	166.4	158.2	-1.1	109.2	P73 M106 T133 V136	P73-R94 WeakPolarHBondContact CG-O 3.46Å; R94-M106 WeakPolarHBondContact CA-O 3.31Å; R94-T133 HydrophobicContact CB-CG2 4.32Å; R94-T133 HydrophobicContact CG-CG2 4.48Å; R94-V136 HydrophobicContact CG-CB 4.28Å; R94-V136 HydrophobicContact CG-CG1 3.98Å
95	R	82.3	Confident	79.4	Confident	71 Å²	71	93 Å²	93	27%	0.268	47%	0.47	S	S	.	.			trans	-79.2	145.6	173.2	-65.6	176.9	173.9	-92.2	-9.3	110.3	E97 K99 M106 E108	R95-E97 WeakPolarHBondContact CB-O 3.4Å; R95-K99 VanDerWaalsContact CZ-CE 3.45Å; R95-M106 PolarHBondContact N-O 2.66Å; R95-M106 WeakPolarHBondContact O-CE 3.44Å; R95-E108 IonicContact CZ-OE1 3.39Å; R95-E108 IonicContact NE-OE1 3.84Å; R95-E108 PolarHBondContact NE-OE1 3.47Å; R95-E108 IonicContact NH2-OE1 3.63Å; R95-E108 PolarHBondContact NH2-OE1 3.33Å
96	K	72.9	Confident	78.7	Confident	117 Å²	117	90.9 Å²	90.9	51%	0.509	45%	0.45	S	S	.	.	S	Bend	trans	-77.9	-37	172.3	-162	175.3	-178	-179.9	0	111.7	Y74	Y74-K96 HydrophobicContact CE2-CD 3.89Å
97	E	76.2	Confident	78.4	Confident	133 Å²	133	84.2 Å²	84.2	62%	0.621	43%	0.425	S	S	*	.	S	Bend	trans	-120.2	143.5	176.2	-61.9	118.8	-152.8	0	0	110.7	R95	R95-E97 WeakPolarHBondContact CB-O 3.4Å
98	A	63.1	Low	78.1	Confident	56 Å²	56	83.9 Å²	83.9	46%	0.463	42%	0.424	S	S	.	.			trans	-70.3	146.6	169.8	0	0	0	0	0	109.9	M106	A98-M106 HydrophobicContact CB-SD 3.74Å
99	K	57.7	Low	77.8	Confident	75 Å²	75	77.2 Å²	77.2	33%	0.326	41%	0.405	S	S	.	.			trans	-70.9	140.9	168.9	-74.6	173.5	160	163.9	0	110.1	R95 Y101	R95-K99 VanDerWaalsContact CZ-CE 3.45Å; K99-Y101 VanDerWaalsContact CB-O 3.22Å; K99-Y101 WeakPolarHBondContact CB-O 3.45Å; K99-Y101 PolarHBondContact O-N 2.88Å
100	D	46.1	Very low	77.4	Confident	155 Å²	155	80.4 Å²	80.4	83%	0.829	43%	0.431	S	S	*	.	S	Bend	trans	-70	-13.6	171.4	-64.6	-35.7	0	0	0	113.2
101	Y	49.4	Very low	77.2	Confident	176 Å²	176	79.9 Å²	79.9	69%	0.69	42%	0.422	S	S	*	.	S	Bend	trans	-142	157.4	-176.5	57.1	-89.1	0	0	0	112.1	K99	K99-Y101 VanDerWaalsContact CB-O 3.22Å; K99-Y101 WeakPolarHBondContact CB-O 3.45Å; K99-Y101 PolarHBondContact O-N 2.88Å
102	G	56.1	Low	77	Confident	66 Å²	66	81.9 Å²	81.9	68%	0.68	44%	0.439	S	S	*	.	S	Bend	trans	86.6	-152.7	-178.4	0	0	0	0	0	114.2	K104	G102-K104 PolarHBondContact O-N 3.18Å; G102-K104 VanDerWaalsContact O-N 3.12Å
103	T	57.3	Low	76.8	Confident	106 Å²	106	90.4 Å²	90.4	65%	0.65	48%	0.479	S	S	*	.	S	Bend	trans	-69	-6.4	-172.1	54.6	0	0	0	0	115	K105	T103-K105 PolarHBondContact O-N 2.77Å
104	K	66.9	Low	76.6	Confident	145 Å²	145	88.2 Å²	88.2	63%	0.63	48%	0.475	S	S	*	.			trans	52.1	15.9	-179.4	-59.7	-175	179.2	-176.4	0	115.6	G102	G102-K104 PolarHBondContact O-N 3.18Å; G102-K104 VanDerWaalsContact O-N 3.12Å
105	K	75.3	Confident	76.9	Confident	111 Å²	111	88.7 Å²	88.7	48%	0.483	48%	0.479	S	S	.	.			trans	-67.7	136.6	179.7	-67.2	-171.7	175.9	-167.9	0	111	T103	T103-K105 PolarHBondContact O-N 2.77Å
106	M	82.9	Confident	77.7	Confident	51 Å²	51	86.6 Å²	86.6	25%	0.251	47%	0.474	S	S	.	.	S	Bend	trans	-85.6	-16.6	175.8	-72.4	-64.6	-68.9	0	0	112.7	R94 R95 A98 V136	R94-M106 WeakPolarHBondContact CA-O 3.31Å; R95-M106 PolarHBondContact N-O 2.66Å; R95-M106 WeakPolarHBondContact O-CE 3.44Å; A98-M106 HydrophobicContact CB-SD 3.74Å; M106-V136 HydrophobicContact CB-CG1 3.83Å
107	V	90.9	Very high	78.9	Confident	2 Å²	2	81 Å²	81	1%	0.012	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.2	177.6	-174.7	0	0	0	0	108.9	L92 F111 V136 L137 E140	L92-V107 HydrophobicContact CB-CG1 4.11Å; L92-V107 HydrophobicContact CD1-CG1 4.21Å; V107-F111 HydrophobicContact CB-CE1 4.45Å; V107-F111 HydrophobicContact CG1-CE1 4Å; V107-V136 HydrophobicContact CG2-CG1 3.63Å; V107-L137 HydrophobicContact CG1-CD2 4.04Å; V107-L137 HydrophobicContact CG2-CD2 4.02Å; V107-E140 HydrophobicContact CB-CG 4.31Å; V107-E140 HydrophobicContact CG2-CG 3.86Å
108	E	90.9	Very high	80	Confident	59 Å²	59	75 Å²	75	28%	0.276	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.7	171.8	-57.8	-76.4	-173.3	0	0	109.5	L92 I93 R95	L92-E108 CarbonylContact C-O 3.6Å; L92-E108 WeakPolarHBondContact CA-O 3.4Å; I93-E108 HydrophobicContact CB-CB 4.27Å; I93-E108 PolarHBondContact N-O 2.99Å; I93-E108 PolarHBondContact O-N 3.11Å; R95-E108 IonicContact CZ-OE1 3.39Å; R95-E108 IonicContact NE-OE1 3.84Å; R95-E108 PolarHBondContact NE-OE1 3.47Å; R95-E108 IonicContact NH2-OE1 3.63Å; R95-E108 PolarHBondContact NH2-OE1 3.33Å
109	G	90.1	Very high	81.7	Confident	44 Å²	44	72.3 Å²	72.3	45%	0.454	40%	0.4	S	S	.	.	S	Bend	trans	126	175.7	-176.9	0	0	0	0	0	111.9
110	S	88.9	Confident	83.6	Confident	111 Å²	111	68.8 Å²	68.8	78%	0.776	39%	0.385	S	S	*	.			trans	-108.8	130.9	176.9	-60.5	0	0	0	0	109.5
111	F	94.3	Very high	86.1	Confident	56 Å²	56	61.8 Å²	61.8	25%	0.246	35%	0.347	C	S	.	.			trans	-158	160.2	-179.7	56	-89.1	0	0	0	110.4	L92 V107 E140 L142	L92-F111 HydrophobicContact CD1-CD1 4.24Å; L92-F111 HydrophobicContact CD2-CB 4.4Å; L92-F111 HydrophobicContact CD2-CD1 3.75Å; L92-F111 HydrophobicContact CD2-CG 4.49Å; V107-F111 HydrophobicContact CB-CE1 4.45Å; V107-F111 HydrophobicContact CG1-CE1 4Å; F111-E140 HydrophobicContact CE2-CB 3.89Å; F111-E140 WeakPolarHBondContact CE2-O 3.47Å; F111-E140 HydrophobicContact CZ-CB 3.87Å; F111-E140 HydrophobicContact CZ-CG 4.4Å; F111-L142 HydrophobicContact CB-CD2 3.87Å; F111-L142 HydrophobicContact CD2-CD1 4.1Å; F111-L142 HydrophobicContact CD2-CD2 3.83Å; F111-L142 HydrophobicContact CD2-CG 3.92Å; F111-L142 HydrophobicContact CE2-CD1 4.32Å; F111-L142 HydrophobicContact CE2-CG 4.31Å; F111-L142 HydrophobicContact CG-CD1 4.22Å; F111-L142 HydrophobicContact CG-CD2 4.01Å; F111-L142 HydrophobicContact CG-CG 4.36Å
112	C	92.6	Very high	88.3	Confident	84 Å²	84	54.4 Å²	54.4	57%	0.568	32%	0.319	S	S	*	.			trans	-107.2	154.6	171.5	-61.7	0	0	0	0	110.6	G114 D115	C112-G114 PolarHBondContact O-N 3.43Å; C112-D115 PolarHBondContact N-OD2 3.48Å; C112-D115 VanDerWaalsContact O-CB 3.31Å; C112-D115 WeakPolarHBondContact O-CB 3.36Å; C112-D115 PolarHBondContact O-N 2.88Å
113	E	92.1	Very high	90.2	Very high	178 Å²	178	52.6 Å²	52.6	83%	0.832	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	133.8	170.7	-174.1	177.3	177.3	0	0	110.1
114	G	92.8	Very high	92	Very high	29 Å²	29	47.7 Å²	47.7	30%	0.299	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-6.8	-178	0	0	0	0	0	115.4	C112 G141	C112-G114 PolarHBondContact O-N 3.43Å; G114-G141 PolarHBondContact N-O 3.45Å
115	D	97.1	Very high	93	Very high	37 Å²	37	43.1 Å²	43.1	20%	0.198	25%	0.25	C	C	.	.			trans	-61.5	143.5	174.1	-78.7	-10.4	0	0	0	111.1	N67 C112 L142 K143	N67-D115 HydrophobicContact CB-CB 3.96Å; C112-D115 PolarHBondContact N-OD2 3.48Å; C112-D115 VanDerWaalsContact O-CB 3.31Å; C112-D115 WeakPolarHBondContact O-CB 3.36Å; C112-D115 PolarHBondContact O-N 2.88Å; D115-L142 HydrophobicContact CB-CD2 3.66Å; D115-L142 CarbonylContact O-C 3.59Å; D115-L142 WeakPolarHBondContact O-CA 3.11Å; D115-L142 WeakPolarHBondContact O-CD2 3.16Å; D115-K143 PolarHBondContact O-N 2.89Å
116	T	98.3	Very high	93.6	Very high	27 Å²	27	39.6 Å²	39.6	17%	0.166	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-91	128.6	176	-58.4	0	0	0	0	110.4	F66 N67 S68 K143	F66-T116 HydrophobicContact CB-CG2 4.35Å; N67-T116 PolarHBondContact N-O 2.91Å; N67-T116 PolarHBondContact OD1-N 3.46Å; S68-T116 PolarHBondContact N-O 2.69Å; T116-K143 CarbonylContact C-O 3.57Å; T116-K143 WeakPolarHBondContact CA-O 3.4Å
117	C	98.6	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.5	177	-168.1	0	0	0	0	111	S68 C70 L92 L137 K143	S68-C117 WeakPolarHBondContact O-CA 3.22Å; S68-C117 PolarHBondContact OG-SG 3.49Å; S68-C117 VanDerWaalsContact OG-SG 3.38Å; C70-C117 VanDerWaalsContact CB-SG 3.57Å; L92-C117 HydrophobicContact CD1-CB 4.49Å; C117-L137 HydrophobicContact CB-CD1 4.19Å; C117-K143 PolarHBondContact N-O 3.36Å
118	L	98.8	Very high	94	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.4	172.7	176.7	60.3	0	0	0	110.1	A59 L64 F66 S68 V69 C70 I120 D146 I148	A59-L118 HydrophobicContact CB-CD2 4.22Å; L64-L118 HydrophobicContact CD1-CD1 3.95Å; L64-L118 HydrophobicContact CD1-CD2 4.49Å; F66-L118 HydrophobicContact CB-CB 3.94Å; F66-L118 HydrophobicContact CD1-CB 4.06Å; F66-L118 HydrophobicContact CD1-CD2 3.84Å; F66-L118 HydrophobicContact CD2-CB 4.01Å; F66-L118 HydrophobicContact CD2-CD2 4.45Å; F66-L118 HydrophobicContact CE1-CD2 3.64Å; F66-L118 HydrophobicContact CE2-CD2 4.28Å; F66-L118 HydrophobicContact CG-CB 3.73Å; F66-L118 HydrophobicContact CG-CD2 4.25Å; F66-L118 HydrophobicContact CZ-CD2 3.88Å; S68-L118 PolarHBondContact O-N 3.31Å; V69-L118 CarbonylContact C-O 3.46Å; V69-L118 WeakPolarHBondContact CA-O 3.39Å; V69-L118 HydrophobicContact CG2-CB 4.47Å; C70-L118 PolarHBondContact N-O 3.11Å; L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CG-CD1 4.05Å; L118-D146 HydrophobicContact CD1-CB 4.04Å; L118-D146 WeakPolarHBondContact CD1-O 3.38Å; L118-I148 HydrophobicContact CD1-CD1 4.45Å; L118-I148 HydrophobicContact CD1-CG1 4.19Å; L118-I148 HydrophobicContact CD2-CD1 4.22Å
119	I	98.8	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.7	174.8	-65.2	-178.5	0	0	0	110.8	C70 V72 I130 T133 A134 L137 V144 D146 A147 I148	C70-I119 WeakPolarHBondContact O-CA 3.37Å; V72-I119 HydrophobicContact CG2-CG2 3.53Å; I119-I130 HydrophobicContact CD1-CG2 4.1Å; I119-I130 HydrophobicContact CG2-CG1 4.23Å; I119-I130 HydrophobicContact CG2-CG2 4.19Å; I119-T133 HydrophobicContact CD1-CG2 3.93Å; I119-T133 HydrophobicContact CG1-CG2 4.42Å; I119-A134 HydrophobicContact CD1-CB 3.94Å; I119-L137 HydrophobicContact CD1-CD1 4.16Å; I119-L137 HydrophobicContact CG1-CD1 4.15Å; I119-V144 HydrophobicContact CD1-CG1 3.57Å; I119-V144 HydrophobicContact CD1-CG2 4.34Å; I119-V144 HydrophobicContact CG1-CG1 3.9Å; I119-D146 PolarHBondContact N-O 3.33Å; I119-A147 HydrophobicContact CB-CB 4Å; I119-A147 HydrophobicContact CG2-CB 4.35Å; I119-A147 CarbonylContact O-C 3.5Å; I119-A147 VanDerWaalsContact O-CA 3.25Å; I119-A147 WeakPolarHBondContact O-CA 3.28Å; I119-I148 PolarHBondContact O-N 3.41Å
120	I	98.6	Very high	94.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.4	170.6	-53.7	-57.4	0	0	0	109.6	I55 V69 C70 G71 V72 A76 A80 I83 L118 I148	I55-I120 HydrophobicContact CD1-CG2 4.22Å; I55-I120 HydrophobicContact CG2-CD1 3.68Å; I55-I120 HydrophobicContact CG2-CG1 4.49Å; I55-I120 HydrophobicContact CG2-CG2 4.03Å; V69-I120 HydrophobicContact CG1-CD1 4.24Å; V69-I120 HydrophobicContact CG1-CG1 3.44Å; V69-I120 VanDerWaalsContact CG1-CG1 3.44Å; C70-I120 PolarHBondContact O-N 2.85Å; G71-I120 WeakPolarHBondContact CA-O 3.42Å; V72-I120 PolarHBondContact N-O 3.16Å; A76-I120 WeakPolarHBondContact CB-O 3.46Å; A80-I120 HydrophobicContact CB-CB 4.45Å; A80-I120 HydrophobicContact CB-CG1 4.5Å; I83-I120 HydrophobicContact CD1-CG1 4.42Å; L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CG-CD1 4.05Å; I120-I148 WeakPolarHBondContact CA-O 3.37Å; I120-I148 HydrophobicContact CD1-CB 4.06Å
121	E	97.6	Very high	94.6	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.033	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.6	178.6	-177.2	57.5	-80.5	0	0	111.2	V72 T123 V124 S129 I130 I148 V149 L150	V72-E121 WeakPolarHBondContact CB-OE2 3.45Å; V72-E121 WeakPolarHBondContact CG1-OE2 3.2Å; V72-E121 HydrophobicContact CG2-CB 4.24Å; V72-E121 WeakPolarHBondContact CG2-OE2 3.42Å; E121-T123 WeakPolarHBondContact CG-O 3.18Å; E121-V124 HydrophobicContact CG-CG2 3.89Å; E121-S129 WeakPolarHBondContact OE2-CB 3.38Å; E121-I130 HydrophobicContact CB-CD1 3.85Å; E121-I130 HydrophobicContact CB-CG1 3.96Å; E121-I130 HydrophobicContact CG-CD1 4.09Å; E121-I130 HydrophobicContact CG-CG1 4.08Å; E121-I148 PolarHBondContact N-O 2.86Å; E121-V149 HydrophobicContact CB-CB 4.23Å; E121-V149 HydrophobicContact CB-CG2 4.06Å; E121-V149 HydrophobicContact CG-CG2 4.03Å; E121-V149 VanDerWaalsContact O-CA 3.3Å; E121-V149 WeakPolarHBondContact O-CA 3.38Å; E121-L150 PolarHBondContact O-N 3.18Å; E121-L150 VanDerWaalsContact O-N 3.08Å
122	D	96.4	Very high	94.6	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.7	176.7	79.9	-91.2	0	0	0	111.3	L38 T75 L150 M151	L38-D122 HydrophobicContact CB-CB 4.2Å; L38-D122 HydrophobicContact CD1-CB 3.64Å; L38-D122 WeakPolarHBondContact CD1-O 3.38Å; L38-D122 WeakPolarHBondContact CD1-OD2 3.49Å; T75-D122 VanDerWaalsContact CB-OD1 3.24Å; T75-D122 WeakPolarHBondContact CB-OD1 3.46Å; T75-D122 HydrophobicContact CG2-CB 3.8Å; D122-L150 WeakPolarHBondContact O-CB 3.38Å; D122-M151 PolarHBondContact O-N 2.99Å
123	T	95.1	Very high	94.7	Very high	28 Å²	28	31.8 Å²	31.8	17%	0.172	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.8	-176.5	-51.1	0	0	0	0	111.5	I36 L38 E121 M151 R153	I36-T123 HydrophobicContact CG2-CG2 4.44Å; L38-T123 WeakPolarHBondContact CD1-OG1 3.37Å; E121-T123 WeakPolarHBondContact CG-O 3.18Å; T123-M151 CarbonylContact C-O 3.6Å; T123-M151 VanDerWaalsContact CA-O 3.29Å; T123-M151 WeakPolarHBondContact CA-O 3.5Å; T123-M151 HydrophobicContact CG2-CB 4.19Å; T123-M151 HydrophobicContact CG2-CG 4.31Å; T123-R153 HydrophobicContact CG2-CG 3.84Å
124	V	94.3	Very high	94.9	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.9	175.2	164.2	0	0	0	0	111.4	E121 I130 V149 M151 R153 L168	E121-V124 HydrophobicContact CG-CG2 3.89Å; V124-I130 HydrophobicContact CG2-CD1 3.45Å; V124-I130 VanDerWaalsContact CG2-CD1 3.45Å; V124-I130 HydrophobicContact CG2-CG1 4.4Å; V124-V149 HydrophobicContact CB-CG1 4.4Å; V124-V149 HydrophobicContact CB-CG2 4.01Å; V124-V149 HydrophobicContact CG2-CB 3.96Å; V124-V149 HydrophobicContact CG2-CG1 4.22Å; V124-V149 HydrophobicContact CG2-CG2 3.63Å; V124-M151 PolarHBondContact N-O 3.43Å; V124-R153 VanDerWaalsContact O-CB 3.25Å; V124-R153 WeakPolarHBondContact O-CB 3Å; V124-R153 VanDerWaalsContact O-CG 3.31Å; V124-R153 WeakPolarHBondContact O-CG 3.45Å; V124-R153 PolarHBondContact O-N 3.46Å; V124-L168 HydrophobicContact CB-CD2 4.23Å; V124-L168 HydrophobicContact CG1-CD2 3.81Å; V124-L168 HydrophobicContact CG2-CD1 4.4Å; V124-L168 HydrophobicContact CG2-CD2 4.15Å
125	T	89.1	Confident	95	Very high	50 Å²	50	26.2 Å²	26.2	31%	0.307	15%	0.15	S	C	.	.	S	Bend	trans	-109.4	-74	165.8	-46	0	0	0	0	110.5	R153 Q155 G157 T204	T125-R153 VanDerWaalsContact OG1-CD 3.24Å; T125-R153 WeakPolarHBondContact OG1-CD 3.48Å; T125-Q155 HydrophobicContact CG2-CB 3.84Å; T125-Q155 HydrophobicContact CG2-CG 4.36Å; T125-Q155 CarbonylContact O-C 3.56Å; T125-G157 PolarHBondContact O-N 3.47Å; T125-G157 VanDerWaalsContact O-N 3.11Å; T125-T204 HydrophobicContact CG2-CG2 4.49Å
126	S	87.1	Confident	94.9	Very high	36 Å²	36	25.5 Å²	25.5	25%	0.252	15%	0.147	S	C	.	.	S	Bend	trans	-96.8	-15.1	180	58.4	0	0	0	0	113.2	S128 M160	S126-S128 PolarHBondContact OG-N 3.41Å; S126-S128 PolarHBondContact OG-OG 2.85Å; S126-M160 WeakPolarHBondContact O-CB 3.25Å; S126-M160 WeakPolarHBondContact O-CE 3.48Å; S126-M160 WeakPolarHBondContact O-CG 3.49Å
127	G	91.9	Very high	94.8	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	14%	0.139	C	C	.	.	S	Bend	trans	84	3.1	-173.9	0	0	0	0	0	115.1	S129 I130 L131 M160	G127-S129 PolarHBondContact O-N 3.07Å; G127-I130 PolarHBondContact O-N 2.87Å; G127-L131 PolarHBondContact O-N 2.88Å; G127-L131 VanDerWaalsContact O-N 3.13Å; G127-M160 VanDerWaalsContact CA-CE 3.49Å; G127-M160 WeakPolarHBondContact O-CE 2.96Å
128	S	90.1	Very high	94.6	Very high	55 Å²	55	28.5 Å²	28.5	39%	0.385	16%	0.159	S	C	.	.	H	α-helix	trans	-58.7	-40.7	-175.4	-54.8	0	0	0	0	113.8	S126 I130 L131 E132	S126-S128 PolarHBondContact OG-N 3.41Å; S126-S128 PolarHBondContact OG-OG 2.85Å; S128-I130 VanDerWaalsContact C-N 3.32Å; S128-I130 PolarHBondContact O-N 3.34Å; S128-L131 PolarHBondContact O-N 3.02Å; S128-E132 WeakPolarHBondContact O-CG 3.38Å; S128-E132 PolarHBondContact O-N 3.46Å
129	S	93	Very high	94.4	Very high	58 Å²	58	36.3 Å²	36.3	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-36.4	-179.5	-47.4	0	0	0	0	113.2	E121 G127 T133	E121-S129 WeakPolarHBondContact OE2-CB 3.38Å; G127-S129 PolarHBondContact O-N 3.07Å; S129-T133 WeakPolarHBondContact O-CB 3.46Å; S129-T133 PolarHBondContact O-N 3.25Å; S129-T133 VanDerWaalsContact O-N 3.16Å; S129-T133 PolarHBondContact O-OG1 2.9Å
130	I	96.8	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.8	-45.4	174.7	-67.5	173.1	0	0	0	109.2	V72 I119 E121 V124 G127 S128 T133 A134 A147 L161 I166 L168	V72-I130 HydrophobicContact CG2-CG1 4.27Å; I119-I130 HydrophobicContact CD1-CG2 4.1Å; I119-I130 HydrophobicContact CG2-CG1 4.23Å; I119-I130 HydrophobicContact CG2-CG2 4.19Å; E121-I130 HydrophobicContact CB-CD1 3.85Å; E121-I130 HydrophobicContact CB-CG1 3.96Å; E121-I130 HydrophobicContact CG-CD1 4.09Å; E121-I130 HydrophobicContact CG-CG1 4.08Å; V124-I130 HydrophobicContact CG2-CD1 3.45Å; V124-I130 VanDerWaalsContact CG2-CD1 3.45Å; V124-I130 HydrophobicContact CG2-CG1 4.4Å; G127-I130 PolarHBondContact O-N 2.87Å; S128-I130 VanDerWaalsContact C-N 3.32Å; S128-I130 PolarHBondContact O-N 3.34Å; I130-T133 PolarHBondContact O-N 2.82Å; I130-A134 WeakPolarHBondContact O-CB 2.81Å; I130-A134 PolarHBondContact O-N 2.93Å; I130-A147 HydrophobicContact CD1-CB 4.06Å; I130-A147 HydrophobicContact CG2-CB 3.82Å; I130-L161 HydrophobicContact CB-CD1 4.13Å; I130-L161 HydrophobicContact CB-CD2 4.06Å; I130-L161 HydrophobicContact CD1-CD1 3.79Å; I130-L161 HydrophobicContact CG2-CD1 4Å; I130-L161 HydrophobicContact CG2-CD2 3.77Å; I130-I166 HydrophobicContact CG2-CG2 4.41Å; I130-L168 HydrophobicContact CD1-CD1 3.65Å
131	L	94.4	Very high	93.8	Very high	29 Å²	29	40.6 Å²	40.6	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-46.2	179.1	-173.4	64.3	0	0	0	112.1	G127 S128 T133 A134 E135 M160 L161 R164 I166	G127-L131 PolarHBondContact O-N 2.88Å; G127-L131 VanDerWaalsContact O-N 3.13Å; S128-L131 PolarHBondContact O-N 3.02Å; L131-T133 PolarHBondContact O-N 3.21Å; L131-A134 PolarHBondContact O-N 2.88Å; L131-A134 VanDerWaalsContact O-N 3.17Å; L131-E135 WeakPolarHBondContact O-CB 3.32Å; L131-E135 WeakPolarHBondContact O-CG 3.22Å; L131-E135 PolarHBondContact O-N 2.9Å; L131-M160 HydrophobicContact CB-CE 4.37Å; L131-M160 HydrophobicContact CD2-CE 4.48Å; L131-M160 HydrophobicContact CD2-SD 4.24Å; L131-L161 HydrophobicContact CB-CD2 4.37Å; L131-R164 HydrophobicContact CD1-CB 4.09Å; L131-R164 HydrophobicContact CD1-CG 4.04Å; L131-R164 HydrophobicContact CD2-CG 4.41Å; L131-I166 HydrophobicContact CD1-CD1 4.36Å
132	E	93.1	Very high	93.8	Very high	99 Å²	99	40.5 Å²	40.5	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-57.6	-39.4	175	-73.6	174.3	-160.5	0	0	111.9	S128 V136	S128-E132 WeakPolarHBondContact O-CG 3.38Å; S128-E132 PolarHBondContact O-N 3.46Å; E132-V136 WeakPolarHBondContact O-CG2 3.36Å; E132-V136 PolarHBondContact O-N 2.9Å
133	T	95.4	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-45.2	177	-59	0	0	0	0	110.5	R94 I119 S129 I130 L131 E135 V136 L137	R94-T133 HydrophobicContact CB-CG2 4.32Å; R94-T133 HydrophobicContact CG-CG2 4.48Å; I119-T133 HydrophobicContact CD1-CG2 3.93Å; I119-T133 HydrophobicContact CG1-CG2 4.42Å; S129-T133 WeakPolarHBondContact O-CB 3.46Å; S129-T133 PolarHBondContact O-N 3.25Å; S129-T133 VanDerWaalsContact O-N 3.16Å; S129-T133 PolarHBondContact O-OG1 2.9Å; I130-T133 PolarHBondContact O-N 2.82Å; L131-T133 PolarHBondContact O-N 3.21Å; T133-E135 PolarHBondContact O-N 3.08Å; T133-V136 PolarHBondContact O-N 2.88Å; T133-L137 HydrophobicContact CG2-CD1 4.11Å; T133-L137 WeakPolarHBondContact O-CG 3.46Å; T133-L137 PolarHBondContact O-N 3.26Å
134	A	96.8	Very high	93.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-42.6	177.4	0	0	0	0	0	112	I119 I130 L131 V136 L137 H138 V144 I166	I119-A134 HydrophobicContact CD1-CB 3.94Å; I130-A134 WeakPolarHBondContact O-CB 2.81Å; I130-A134 PolarHBondContact O-N 2.93Å; L131-A134 PolarHBondContact O-N 2.88Å; L131-A134 VanDerWaalsContact O-N 3.17Å; A134-V136 VanDerWaalsContact C-N 3.3Å; A134-V136 PolarHBondContact O-N 3.09Å; A134-L137 PolarHBondContact O-N 2.72Å; A134-H138 WeakPolarHBondContact O-CB 3.47Å; A134-H138 VanDerWaalsContact O-CG 3.24Å; A134-H138 PolarHBondContact O-N 3.32Å; A134-H138 PolarHBondContact O-ND1 3.11Å; A134-V144 HydrophobicContact CB-CB 4.02Å; A134-V144 HydrophobicContact CB-CG1 3.93Å; A134-V144 HydrophobicContact CB-CG2 4.15Å; A134-I166 HydrophobicContact CB-CD1 3.55Å
135	E	94.9	Very high	94	Very high	90 Å²	90	46.5 Å²	46.5	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-38.9	176.4	-76.1	177	-174	0	0	112.7	L131 T133 K139	L131-E135 WeakPolarHBondContact O-CB 3.32Å; L131-E135 WeakPolarHBondContact O-CG 3.22Å; L131-E135 PolarHBondContact O-N 2.9Å; T133-E135 PolarHBondContact O-N 3.08Å; E135-K139 VanDerWaalsContact O-CG 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.46Å; E135-K139 PolarHBondContact O-N 3.37Å; E135-K139 VanDerWaalsContact O-N 3.15Å
136	V	94.3	Very high	94.5	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.127	24%	0.237	C	C	.	.	H	α-helix	trans	-68	-43.3	175.7	173.4	0	0	0	0	110.7	R94 M106 V107 E132 T133 A134 K139 E140	R94-V136 HydrophobicContact CG-CB 4.28Å; R94-V136 HydrophobicContact CG-CG1 3.98Å; M106-V136 HydrophobicContact CB-CG1 3.83Å; V107-V136 HydrophobicContact CG2-CG1 3.63Å; E132-V136 WeakPolarHBondContact O-CG2 3.36Å; E132-V136 PolarHBondContact O-N 2.9Å; T133-V136 PolarHBondContact O-N 2.88Å; A134-V136 VanDerWaalsContact C-N 3.3Å; A134-V136 PolarHBondContact O-N 3.09Å; V136-K139 PolarHBondContact O-N 3.06Å; V136-E140 PolarHBondContact O-N 3.44Å
137	L	95.6	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-43.2	177.6	-64.3	170.8	0	0	0	111.4	C70 L92 V107 C117 I119 T133 A134 K139 E140 G141 L142 V144	C70-L137 HydrophobicContact CB-CD1 4.14Å; L92-L137 HydrophobicContact CD1-CD2 4.08Å; V107-L137 HydrophobicContact CG1-CD2 4.04Å; V107-L137 HydrophobicContact CG2-CD2 4.02Å; C117-L137 HydrophobicContact CB-CD1 4.19Å; I119-L137 HydrophobicContact CD1-CD1 4.16Å; I119-L137 HydrophobicContact CG1-CD1 4.15Å; T133-L137 HydrophobicContact CG2-CD1 4.11Å; T133-L137 WeakPolarHBondContact O-CG 3.46Å; T133-L137 PolarHBondContact O-N 3.26Å; A134-L137 PolarHBondContact O-N 2.72Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.5Å; L137-E140 CarbonylContact O-C 3.55Å; L137-E140 PolarHBondContact O-N 3.06Å; L137-G141 PolarHBondContact O-N 2.87Å; L137-L142 HydrophobicContact CB-CB 4.11Å; L137-L142 HydrophobicContact CB-CD1 4.08Å; L137-L142 HydrophobicContact CD2-CD1 3.58Å; L137-L142 HydrophobicContact CG-CD1 4.39Å; L137-L142 WeakPolarHBondContact O-CB 3.4Å; L137-L142 PolarHBondContact O-N 3.06Å; L137-L142 VanDerWaalsContact O-N 3.11Å; L137-V144 HydrophobicContact CB-CG2 3.89Å; L137-V144 HydrophobicContact CD1-CG2 3.74Å; L137-V144 HydrophobicContact CG-CG2 4.47Å
138	H	95.6	Very high	95.4	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-38.6	175.8	-71.8	128.8	0	0	0	112.6	A134 E140 G141 L142 V144	A134-H138 WeakPolarHBondContact O-CB 3.47Å; A134-H138 VanDerWaalsContact O-CG 3.24Å; A134-H138 PolarHBondContact O-N 3.32Å; A134-H138 PolarHBondContact O-ND1 3.11Å; H138-E140 PolarHBondContact O-N 2.94Å; H138-G141 PolarHBondContact O-N 3.32Å; H138-L142 WeakPolarHBondContact CA-O 3.45Å; H138-L142 PolarHBondContact CD2-O 3.47Å; H138-V144 PolarHBondContact NE2-N 3.28Å
139	K	92.8	Very high	95.8	Very high	170 Å²	170	40.7 Å²	40.7	74%	0.739	21%	0.205	S	C	*	.	H	α-helix	trans	-64.4	-26.3	176.2	-76.1	170.9	-176.7	173.3	0	113.4	E135 V136 L137 G141	E135-K139 VanDerWaalsContact O-CG 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.46Å; E135-K139 PolarHBondContact O-N 3.37Å; E135-K139 VanDerWaalsContact O-N 3.15Å; V136-K139 PolarHBondContact O-N 3.06Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.5Å; K139-G141 VanDerWaalsContact C-N 3.28Å
140	E	91.3	Very high	96	Very high	71 Å²	71	38 Å²	38	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	7.6	174.7	-60	-70	149	0	0	112.3	V107 F111 V136 L137 H138	V107-E140 HydrophobicContact CB-CG 4.31Å; V107-E140 HydrophobicContact CG2-CG 3.86Å; F111-E140 HydrophobicContact CE2-CB 3.89Å; F111-E140 WeakPolarHBondContact CE2-O 3.47Å; F111-E140 HydrophobicContact CZ-CB 3.87Å; F111-E140 HydrophobicContact CZ-CG 4.4Å; V136-E140 PolarHBondContact O-N 3.44Å; L137-E140 CarbonylContact O-C 3.55Å; L137-E140 PolarHBondContact O-N 3.06Å; H138-E140 PolarHBondContact O-N 2.94Å
141	G	93.6	Very high	96	Very high	22 Å²	22	38 Å²	38	23%	0.227	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	7.4	177	0	0	0	0	0	115	G114 L137 H138 K139	G114-G141 PolarHBondContact N-O 3.45Å; L137-G141 PolarHBondContact O-N 2.87Å; H138-G141 PolarHBondContact O-N 3.32Å; K139-G141 VanDerWaalsContact C-N 3.28Å
142	L	97.5	Very high	96.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	18%	0.182	C	C	.	.			trans	-82	154.6	175.9	-66	163.2	0	0	0	111.5	L92 F111 D115 L137 H138	L92-L142 HydrophobicContact CD1-CD1 3.41Å; L92-L142 VanDerWaalsContact CD1-CD1 3.41Å; L92-L142 HydrophobicContact CD1-CD2 4.49Å; F111-L142 HydrophobicContact CB-CD2 3.87Å; F111-L142 HydrophobicContact CD2-CD1 4.1Å; F111-L142 HydrophobicContact CD2-CD2 3.83Å; F111-L142 HydrophobicContact CD2-CG 3.92Å; F111-L142 HydrophobicContact CE2-CD1 4.32Å; F111-L142 HydrophobicContact CE2-CG 4.31Å; F111-L142 HydrophobicContact CG-CD1 4.22Å; F111-L142 HydrophobicContact CG-CD2 4.01Å; F111-L142 HydrophobicContact CG-CG 4.36Å; D115-L142 HydrophobicContact CB-CD2 3.66Å; D115-L142 CarbonylContact O-C 3.59Å; D115-L142 WeakPolarHBondContact O-CA 3.11Å; D115-L142 WeakPolarHBondContact O-CD2 3.16Å; L137-L142 HydrophobicContact CB-CB 4.11Å; L137-L142 HydrophobicContact CB-CD1 4.08Å; L137-L142 HydrophobicContact CD2-CD1 3.58Å; L137-L142 HydrophobicContact CG-CD1 4.39Å; L137-L142 WeakPolarHBondContact O-CB 3.4Å; L137-L142 PolarHBondContact O-N 3.06Å; L137-L142 VanDerWaalsContact O-N 3.11Å; H138-L142 WeakPolarHBondContact CA-O 3.45Å; H138-L142 PolarHBondContact CD2-O 3.47Å
143	K	97.4	Very high	96.1	Very high	115 Å²	115	33 Å²	33	50%	0.5	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-99.1	137.9	169.9	-63.7	173.6	-174.6	159.8	0	110	D115 T116 C117	D115-K143 PolarHBondContact O-N 2.89Å; T116-K143 CarbonylContact C-O 3.57Å; T116-K143 WeakPolarHBondContact CA-O 3.4Å; C117-K143 PolarHBondContact N-O 3.36Å
144	V	97.9	Very high	96	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	17%	0.174	C	C	.	.			trans	-123.7	107.7	170.9	-179.7	0	0	0	0	108.8	I119 A134 L137 H138 I166	I119-V144 HydrophobicContact CD1-CG1 3.57Å; I119-V144 HydrophobicContact CD1-CG2 4.34Å; I119-V144 HydrophobicContact CG1-CG1 3.9Å; A134-V144 HydrophobicContact CB-CB 4.02Å; A134-V144 HydrophobicContact CB-CG1 3.93Å; A134-V144 HydrophobicContact CB-CG2 4.15Å; L137-V144 HydrophobicContact CB-CG2 3.89Å; L137-V144 HydrophobicContact CD1-CG2 3.74Å; L137-V144 HydrophobicContact CG-CG2 4.47Å; H138-V144 PolarHBondContact NE2-N 3.28Å; V144-I166 HydrophobicContact CG1-CD1 4.27Å; V144-I166 HydrophobicContact CG1-CG1 4.41Å
145	T	96.5	Very high	95.6	Very high	58 Å²	58	35.8 Å²	35.8	36%	0.356	18%	0.175	S	C	.	.			trans	-105.8	-29.7	-178.9	53.6	0	0	0	0	112.5	I166 R167	T145-I166 CarbonylContact O-C 3.49Å; T145-I166 WeakPolarHBondContact O-CA 3.31Å; T145-R167 PolarHBondContact O-N 3.36Å
146	D	98.6	Very high	95.3	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.118	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.7	-170.8	-57.9	-88.5	0	0	0	111.1	L64 L118 I119 R167	L64-D146 HydrophobicContact CD1-CB 4.12Å; L64-D146 HydrophobicContact CD2-CB 4.36Å; L118-D146 HydrophobicContact CD1-CB 4.04Å; L118-D146 WeakPolarHBondContact CD1-O 3.38Å; I119-D146 PolarHBondContact N-O 3.33Å; D146-R167 CarbonylContact C-O 3.47Å; D146-R167 WeakPolarHBondContact CA-O 3.39Å; D146-R167 WeakPolarHBondContact OD1-CD 3.45Å
147	A	98.6	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.9	170.9	0	0	0	0	0	110.1	I119 I130 I166 R167 L168 L169	I119-A147 HydrophobicContact CB-CB 4Å; I119-A147 HydrophobicContact CG2-CB 4.35Å; I119-A147 CarbonylContact O-C 3.5Å; I119-A147 VanDerWaalsContact O-CA 3.25Å; I119-A147 WeakPolarHBondContact O-CA 3.28Å; I130-A147 HydrophobicContact CD1-CB 4.06Å; I130-A147 HydrophobicContact CG2-CB 3.82Å; A147-I166 HydrophobicContact CB-CG2 4.12Å; A147-R167 PolarHBondContact N-O 2.99Å; A147-L168 HydrophobicContact CB-CD1 3.94Å; A147-L168 CarbonylContact O-C 3.55Å; A147-L168 WeakPolarHBondContact O-CA 3.41Å; A147-L169 PolarHBondContact O-N 3.33Å
148	I	98.8	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.9	173	-55.8	178.5	0	0	0	108.6	I55 R58 A59 L64 L118 I119 I120 E121 L169 I171	I55-I148 HydrophobicContact CG2-CB 4.3Å; I55-I148 HydrophobicContact CG2-CG2 3.87Å; R58-I148 HydrophobicContact CG-CD1 4.47Å; A59-I148 HydrophobicContact CB-CD1 3.55Å; L64-I148 HydrophobicContact CD1-CD1 3.98Å; L64-I148 HydrophobicContact CD1-CG1 4.3Å; L118-I148 HydrophobicContact CD1-CD1 4.45Å; L118-I148 HydrophobicContact CD1-CG1 4.19Å; L118-I148 HydrophobicContact CD2-CD1 4.22Å; I119-I148 PolarHBondContact O-N 3.41Å; I120-I148 WeakPolarHBondContact CA-O 3.37Å; I120-I148 HydrophobicContact CD1-CB 4.06Å; E121-I148 PolarHBondContact N-O 2.86Å; I148-L169 WeakPolarHBondContact CA-O 3.48Å; I148-L169 HydrophobicContact CG1-CB 4.13Å; I148-L169 HydrophobicContact CG1-CD1 4.21Å; I148-L169 WeakPolarHBondContact CG2-O 3.47Å; I148-I171 HydrophobicContact CG2-CD1 3.96Å; I148-I171 HydrophobicContact CG2-CG1 4.16Å
149	V	98.4	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	177.6	64.4	0	0	0	0	110.9	E121 V124 M151 D152 L168 L169 P170 I171	E121-V149 HydrophobicContact CB-CB 4.23Å; E121-V149 HydrophobicContact CB-CG2 4.06Å; E121-V149 HydrophobicContact CG-CG2 4.03Å; E121-V149 VanDerWaalsContact O-CA 3.3Å; E121-V149 WeakPolarHBondContact O-CA 3.38Å; V124-V149 HydrophobicContact CB-CG1 4.4Å; V124-V149 HydrophobicContact CB-CG2 4.01Å; V124-V149 HydrophobicContact CG2-CB 3.96Å; V124-V149 HydrophobicContact CG2-CG1 4.22Å; V124-V149 HydrophobicContact CG2-CG2 3.63Å; V149-M151 WeakPolarHBondContact CG2-O 3.47Å; V149-D152 HydrophobicContact CG1-CB 4.46Å; V149-L168 HydrophobicContact CB-CD1 4.03Å; V149-L168 HydrophobicContact CG1-CD1 3.75Å; V149-L168 HydrophobicContact CG1-CD2 4.07Å; V149-L168 HydrophobicContact CG1-CG 4.02Å; V149-L169 PolarHBondContact N-O 3.4Å; V149-L169 VanDerWaalsContact N-O 3.07Å; V149-P170 HydrophobicContact CG1-CB 4.08Å; V149-P170 HydrophobicContact CG1-CG 4.22Å; V149-P170 WeakPolarHBondContact O-CA 3.43Å; V149-I171 PolarHBondContact O-N 2.84Å
150	L	97.9	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	-50.8	174.1	179.6	61.8	0	0	0	111.6	L38 L41 V51 I55 E121 D122 I171 I172	L38-L150 HydrophobicContact CD1-CB 4.41Å; L38-L150 HydrophobicContact CD1-CD2 3.76Å; L38-L150 HydrophobicContact CD1-CG 4.4Å; L38-L150 HydrophobicContact CD2-CD2 3.88Å; L38-L150 HydrophobicContact CG-CD2 4.47Å; L41-L150 HydrophobicContact CD1-CD2 4.47Å; V51-L150 HydrophobicContact CG1-CD1 3.95Å; V51-L150 HydrophobicContact CG1-CD2 3.53Å; V51-L150 HydrophobicContact CG1-CG 4.24Å; V51-L150 HydrophobicContact CG2-CD2 4.13Å; I55-L150 HydrophobicContact CD1-CB 4.37Å; E121-L150 PolarHBondContact O-N 3.18Å; E121-L150 VanDerWaalsContact O-N 3.08Å; D122-L150 WeakPolarHBondContact O-CB 3.38Å; L150-I171 HydrophobicContact CD1-CB 4.19Å; L150-I171 HydrophobicContact CD1-CG2 4.21Å; L150-I172 HydrophobicContact CD1-CD1 4.14Å; L150-I172 WeakPolarHBondContact O-CB 3.3Å; L150-I172 PolarHBondContact O-N 2.81Å
151	M	97.4	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.9	-176	-169.9	64.6	59.2	0	0	112.2	I36 L38 D122 T123 V124 V149 I172 M174 L177	I36-M151 HydrophobicContact CG1-CG 4.47Å; I36-M151 HydrophobicContact CG2-CG 4.36Å; L38-M151 HydrophobicContact CD1-CB 4.42Å; D122-M151 PolarHBondContact O-N 2.99Å; T123-M151 CarbonylContact C-O 3.6Å; T123-M151 VanDerWaalsContact CA-O 3.29Å; T123-M151 WeakPolarHBondContact CA-O 3.5Å; T123-M151 HydrophobicContact CG2-CB 4.19Å; T123-M151 HydrophobicContact CG2-CG 4.31Å; V124-M151 PolarHBondContact N-O 3.43Å; V149-M151 WeakPolarHBondContact CG2-O 3.47Å; M151-I172 HydrophobicContact CE-CB 3.99Å; M151-I172 HydrophobicContact CE-CD1 4.13Å; M151-I172 HydrophobicContact CE-CG2 3.8Å; M151-I172 HydrophobicContact SD-CB 4.1Å; M151-I172 HydrophobicContact SD-CG2 3.82Å; M151-M174 HydrophobicContact CG-CE 4.08Å; M151-M174 HydrophobicContact SD-CE 4.1Å; M151-L177 HydrophobicContact CE-CD1 3.44Å; M151-L177 VanDerWaalsContact CE-CD1 3.44Å; M151-L177 HydrophobicContact SD-CD1 3.84Å
152	D	96.3	Very high	94.8	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.064	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.2	165.1	179.7	17.8	0	0	0	110.1	V149 E154 V158 P170 I172 M174	V149-D152 HydrophobicContact CG1-CB 4.46Å; D152-E154 PolarHBondContact O-N 3.26Å; D152-E154 PolarHBondContact OD1-N 2.61Å; D152-V158 WeakPolarHBondContact OD2-CG2 3.43Å; D152-P170 HydrophobicContact CB-CB 3.62Å; D152-P170 HydrophobicContact CB-CG 3.72Å; D152-I172 PolarHBondContact N-O 2.87Å; D152-M174 PolarHBondContact O-N 3.19Å
153	R	93.3	Very high	94.4	Very high	11 Å²	11	27.9 Å²	27.9	4%	0.042	16%	0.16	C	C	.	.			trans	-77	-4.6	176.8	-64.3	178.9	52.1	88.5	8.9	113.2	T123 V124 T125 Q155 M174 I199	T123-R153 HydrophobicContact CG2-CG 3.84Å; V124-R153 VanDerWaalsContact O-CB 3.25Å; V124-R153 WeakPolarHBondContact O-CB 3Å; V124-R153 VanDerWaalsContact O-CG 3.31Å; V124-R153 WeakPolarHBondContact O-CG 3.45Å; V124-R153 PolarHBondContact O-N 3.46Å; T125-R153 VanDerWaalsContact OG1-CD 3.24Å; T125-R153 WeakPolarHBondContact OG1-CD 3.48Å; R153-Q155 HydrophobicContact CB-CG 4.29Å; R153-Q155 WeakPolarHBondContact O-CG 3.41Å; R153-Q155 PolarHBondContact O-N 3.08Å; R153-M174 HydrophobicContact CB-CE 4.24Å; R153-M174 HydrophobicContact CG-CE 3.75Å; R153-I199 WeakPolarHBondContact O-CG2 3.36Å
154	E	92.8	Very high	94.1	Very high	54 Å²	54	30.2 Å²	30.2	25%	0.252	17%	0.166	S	C	.	.	S	Bend	trans	60.1	34.8	180	-65.7	173	130.7	0	0	112.5	D152 S173 M174 F175 I199	D152-E154 PolarHBondContact O-N 3.26Å; D152-E154 PolarHBondContact OD1-N 2.61Å; E154-S173 VanDerWaalsContact CD-CB 3.49Å; E154-S173 WeakPolarHBondContact OE1-CB 3.25Å; E154-S173 PolarHBondContact OE1-OG 2.88Å; E154-M174 PolarHBondContact OE2-N 3.09Å; E154-F175 WeakPolarHBondContact OE2-CB 3.47Å; E154-F175 WeakPolarHBondContact OE2-CD1 3.47Å; E154-F175 WeakPolarHBondContact OE2-CG 3.28Å; E154-F175 PolarHBondContact OE2-N 3.07Å; E154-I199 HydrophobicContact CB-CG2 4.06Å
155	Q	87.8	Confident	93.9	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.023	19%	0.193	C	C	.	.	S	Bend	trans	-110	27.1	-179.1	-64.6	-175.3	-106.3	0	0	112.4	T125 R153 I199 N202 N203 T204	T125-Q155 HydrophobicContact CG2-CB 3.84Å; T125-Q155 HydrophobicContact CG2-CG 4.36Å; T125-Q155 CarbonylContact O-C 3.56Å; R153-Q155 HydrophobicContact CB-CG 4.29Å; R153-Q155 WeakPolarHBondContact O-CG 3.41Å; R153-Q155 PolarHBondContact O-N 3.08Å; Q155-I199 HydrophobicContact CG-CG2 4.22Å; Q155-N202 PolarHBondContact NE2-O 3.42Å; Q155-N203 VanDerWaalsContact C-OD1 3.25Å; Q155-N203 PolarHBondContact O-OD1 3.47Å; Q155-T204 HydrophobicContact CB-CG2 4.49Å; Q155-T204 WeakPolarHBondContact O-CB 3.46Å; Q155-T204 PolarHBondContact O-N 2.89Å; Q155-T204 PolarHBondContact O-OG1 3.45Å
156	G	88.3	Confident	94	Very high	6 Å²	6	30 Å²	30	6%	0.062	18%	0.177	C	C	.	.	S	Bend	trans	100.5	3	170.8	0	0	0	0	0	116.3	V158 M160 N203 F205	G156-V158 PolarHBondContact O-N 3.15Å; G156-M160 WeakPolarHBondContact O-CB 3.41Å; G156-M160 PolarHBondContact O-N 2.98Å; G156-N203 WeakPolarHBondContact CA-OD1 3.45Å; G156-N203 PolarHBondContact N-OD1 3.1Å; G156-F205 WeakPolarHBondContact O-CB 3.44Å
157	G	90.9	Very high	94	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-36.8	-179.8	0	0	0	0	0	114.7	T125 L161	T125-G157 PolarHBondContact O-N 3.47Å; T125-G157 VanDerWaalsContact O-N 3.11Å; G157-L161 WeakPolarHBondContact O-CB 3.39Å; G157-L161 WeakPolarHBondContact O-CG 3.4Å; G157-L161 PolarHBondContact O-N 3.44Å; G157-L161 VanDerWaalsContact O-N 3.07Å
158	V	93	Very high	94	Very high	50 Å²	50	34.7 Å²	34.7	30%	0.303	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-53.9	177.2	175.6	0	0	0	0	110.8	D152 G156 M160 L161 A162 L168 P170	D152-V158 WeakPolarHBondContact OD2-CG2 3.43Å; G156-V158 PolarHBondContact O-N 3.15Å; V158-M160 PolarHBondContact O-N 3.27Å; V158-L161 PolarHBondContact O-N 3.32Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 2.96Å; V158-L168 HydrophobicContact CG2-CB 4.49Å; V158-L168 HydrophobicContact CG2-CD2 3.87Å; V158-L168 HydrophobicContact CG2-CG 4.45Å; V158-P170 HydrophobicContact CG2-CG 4.01Å
159	D	90.3	Very high	93.9	Very high	83 Å²	83	35.2 Å²	35.2	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-67.4	-37.4	-177.6	-62.5	-38.5	0	0	0	112.2	A162 S163 F205	D159-A162 PolarHBondContact O-N 2.64Å; D159-S163 PolarHBondContact O-N 3.39Å; D159-F205 HydrophobicContact CB-CD1 3.22Å; D159-F205 HydrophobicContact CB-CE1 3.33Å; D159-F205 HydrophobicContact CB-CG 4.1Å; D159-F205 HydrophobicContact CB-CZ 4.28Å
160	M	90.7	Very high	93.9	Very high	27 Å²	27	36.7 Å²	36.7	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-50.6	176.9	-169.7	-70.8	-70.8	0	0	111	S126 G127 L131 G156 V158 S163 R164 F205	S126-M160 WeakPolarHBondContact O-CB 3.25Å; S126-M160 WeakPolarHBondContact O-CE 3.48Å; S126-M160 WeakPolarHBondContact O-CG 3.49Å; G127-M160 VanDerWaalsContact CA-CE 3.49Å; G127-M160 WeakPolarHBondContact O-CE 2.96Å; L131-M160 HydrophobicContact CB-CE 4.37Å; L131-M160 HydrophobicContact CD2-CE 4.48Å; L131-M160 HydrophobicContact CD2-SD 4.24Å; G156-M160 WeakPolarHBondContact O-CB 3.41Å; G156-M160 PolarHBondContact O-N 2.98Å; V158-M160 PolarHBondContact O-N 3.27Å; M160-S163 WeakPolarHBondContact O-CB 3.38Å; M160-S163 PolarHBondContact O-N 2.95Å; M160-S163 PolarHBondContact O-OG 3.34Å; M160-R164 PolarHBondContact O-N 3.08Å; M160-R164 HydrophobicContact SD-CG 4.23Å; M160-F205 HydrophobicContact CB-CD2 3.65Å; M160-F205 HydrophobicContact CB-CE2 4.05Å; M160-F205 HydrophobicContact CB-CG 4.19Å; M160-F205 HydrophobicContact CG-CD2 3.99Å; M160-F205 HydrophobicContact CG-CE2 4.28Å
161	L	94.9	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-39.7	179.8	-72	169	0	0	0	111.7	I130 L131 G157 V158 S163 R164 G165 I166 L168	I130-L161 HydrophobicContact CB-CD1 4.13Å; I130-L161 HydrophobicContact CB-CD2 4.06Å; I130-L161 HydrophobicContact CD1-CD1 3.79Å; I130-L161 HydrophobicContact CG2-CD1 4Å; I130-L161 HydrophobicContact CG2-CD2 3.77Å; L131-L161 HydrophobicContact CB-CD2 4.37Å; G157-L161 WeakPolarHBondContact O-CB 3.39Å; G157-L161 WeakPolarHBondContact O-CG 3.4Å; G157-L161 PolarHBondContact O-N 3.44Å; G157-L161 VanDerWaalsContact O-N 3.07Å; V158-L161 PolarHBondContact O-N 3.32Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 3.11Å; L161-R164 CarbonylContact O-C 3.56Å; L161-R164 WeakPolarHBondContact O-CA 3.42Å; L161-R164 WeakPolarHBondContact O-CB 3.32Å; L161-R164 PolarHBondContact O-N 3.38Å; L161-G165 PolarHBondContact O-N 2.83Å; L161-I166 CarbonylContact C-O 3.59Å; L161-I166 HydrophobicContact CB-CB 4.19Å; L161-I166 HydrophobicContact CB-CG2 4.46Å; L161-I166 WeakPolarHBondContact CB-O 3.31Å; L161-I166 HydrophobicContact CD2-CB 4.36Å; L161-I166 HydrophobicContact CD2-CD1 4.25Å; L161-I166 HydrophobicContact CD2-CG2 4.45Å; L161-I166 PolarHBondContact O-N 2.99Å; L161-I166 VanDerWaalsContact O-O 3.06Å; L161-L168 HydrophobicContact CB-CB 4.49Å; L161-L168 HydrophobicContact CD1-CB 3.91Å; L161-L168 HydrophobicContact CD1-CD1 3.98Å; L161-L168 HydrophobicContact CD1-CD2 3.91Å; L161-L168 HydrophobicContact CD1-CG 4.14Å
162	A	94.3	Very high	93.9	Very high	59 Å²	59	37.4 Å²	37.4	49%	0.488	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-39.8	175.3	0	0	0	0	0	111.6	V158 D159 R164 G165 I166	V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 2.96Å; D159-A162 PolarHBondContact O-N 2.64Å; A162-R164 PolarHBondContact O-N 3.11Å; A162-R164 VanDerWaalsContact O-N 3.14Å; A162-G165 PolarHBondContact O-N 3.18Å; A162-I166 WeakPolarHBondContact CA-O 3.31Å; A162-I166 PolarHBondContact N-O 2.84Å; A162-I166 VanDerWaalsContact N-O 3.15Å
163	S	88.9	Confident	93.9	Very high	76 Å²	76	38.3 Å²	38.3	53%	0.531	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.7	175.2	81.5	0	0	0	0	114.2	D159 M160 L161	D159-S163 PolarHBondContact O-N 3.39Å; M160-S163 WeakPolarHBondContact O-CB 3.38Å; M160-S163 PolarHBondContact O-N 2.95Å; M160-S163 PolarHBondContact O-OG 3.34Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 3.11Å
164	R	90.8	Very high	94	Very high	164 Å²	164	37.9 Å²	37.9	62%	0.619	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	9.2	176.5	-61.2	-62.2	-169.7	151.5	2.3	112.9	L131 M160 L161 A162 I166	L131-R164 HydrophobicContact CD1-CB 4.09Å; L131-R164 HydrophobicContact CD1-CG 4.04Å; L131-R164 HydrophobicContact CD2-CG 4.41Å; M160-R164 PolarHBondContact O-N 3.08Å; M160-R164 HydrophobicContact SD-CG 4.23Å; L161-R164 CarbonylContact O-C 3.56Å; L161-R164 WeakPolarHBondContact O-CA 3.42Å; L161-R164 WeakPolarHBondContact O-CB 3.32Å; L161-R164 PolarHBondContact O-N 3.38Å; A162-R164 PolarHBondContact O-N 3.11Å; A162-R164 VanDerWaalsContact O-N 3.14Å; R164-I166 VanDerWaalsContact C-N 3.33Å
165	G	94.2	Very high	94.1	Very high	59 Å²	59	37.7 Å²	37.7	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.8	179.6	0	0	0	0	0	114.5	L161 A162	L161-G165 PolarHBondContact O-N 2.83Å; A162-G165 PolarHBondContact O-N 3.18Å
166	I	97.9	Very high	94.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.229	C	C	.	.			trans	-110.1	117.1	176.7	-58.3	171.4	0	0	0	108.6	I130 L131 A134 V144 T145 A147 L161 A162 R164 L168	I130-I166 HydrophobicContact CG2-CG2 4.41Å; L131-I166 HydrophobicContact CD1-CD1 4.36Å; A134-I166 HydrophobicContact CB-CD1 3.55Å; V144-I166 HydrophobicContact CG1-CD1 4.27Å; V144-I166 HydrophobicContact CG1-CG1 4.41Å; T145-I166 CarbonylContact O-C 3.49Å; T145-I166 WeakPolarHBondContact O-CA 3.31Å; A147-I166 HydrophobicContact CB-CG2 4.12Å; L161-I166 CarbonylContact C-O 3.59Å; L161-I166 HydrophobicContact CB-CB 4.19Å; L161-I166 HydrophobicContact CB-CG2 4.46Å; L161-I166 WeakPolarHBondContact CB-O 3.31Å; L161-I166 HydrophobicContact CD2-CB 4.36Å; L161-I166 HydrophobicContact CD2-CD1 4.25Å; L161-I166 HydrophobicContact CD2-CG2 4.45Å; L161-I166 PolarHBondContact O-N 2.99Å; L161-I166 VanDerWaalsContact O-O 3.06Å; A162-I166 WeakPolarHBondContact CA-O 3.31Å; A162-I166 PolarHBondContact N-O 2.84Å; A162-I166 VanDerWaalsContact N-O 3.15Å; R164-I166 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.35Å
167	R	98.3	Very high	95	Very high	108 Å²	108	41 Å²	41	41%	0.408	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.3	175.1	174.7	179.1	166	-166.3	-4	109.8	E62 T145 D146 A147 L169	E62-R167 IonicContact OE1-NH2 3.45Å; E62-R167 IonicContact OE2-CZ 3.3Å; E62-R167 IonicContact OE2-NH2 2.96Å; E62-R167 PolarHBondContact OE2-NH2 3.03Å; T145-R167 PolarHBondContact O-N 3.36Å; D146-R167 CarbonylContact C-O 3.47Å; D146-R167 WeakPolarHBondContact CA-O 3.39Å; D146-R167 WeakPolarHBondContact OD1-CD 3.45Å; A147-R167 PolarHBondContact N-O 2.99Å; R167-L169 HydrophobicContact CG-CG 4.5Å
168	L	98.3	Very high	95.3	Very high	11 Å²	11	41 Å²	41	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.7	174.8	-175.3	65.8	0	0	0	111	V124 I130 A147 V149 V158 L161 I166 P170	V124-L168 HydrophobicContact CB-CD2 4.23Å; V124-L168 HydrophobicContact CG1-CD2 3.81Å; V124-L168 HydrophobicContact CG2-CD1 4.4Å; V124-L168 HydrophobicContact CG2-CD2 4.15Å; I130-L168 HydrophobicContact CD1-CD1 3.65Å; A147-L168 HydrophobicContact CB-CD1 3.94Å; A147-L168 CarbonylContact O-C 3.55Å; A147-L168 WeakPolarHBondContact O-CA 3.41Å; V149-L168 HydrophobicContact CB-CD1 4.03Å; V149-L168 HydrophobicContact CG1-CD1 3.75Å; V149-L168 HydrophobicContact CG1-CD2 4.07Å; V149-L168 HydrophobicContact CG1-CG 4.02Å; V158-L168 HydrophobicContact CG2-CB 4.49Å; V158-L168 HydrophobicContact CG2-CD2 3.87Å; V158-L168 HydrophobicContact CG2-CG 4.45Å; L161-L168 HydrophobicContact CB-CB 4.49Å; L161-L168 HydrophobicContact CD1-CB 3.91Å; L161-L168 HydrophobicContact CD1-CD1 3.98Å; L161-L168 HydrophobicContact CD1-CD2 3.91Å; L161-L168 HydrophobicContact CD1-CG 4.14Å; I166-L168 PolarHBondContact O-N 3.35Å; L168-P170 WeakPolarHBondContact O-CD 3.45Å
169	L	98.1	Very high	95.5	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	96.5	178.7	-67.3	168.1	0	0	0	111	R58 E62 L64 A147 I148 V149 R167	R58-L169 HydrophobicContact CG-CB 4.39Å; E62-L169 HydrophobicContact CB-CD1 4.17Å; E62-L169 HydrophobicContact CG-CD1 3.91Å; E62-L169 HydrophobicContact CG-CD2 4.16Å; L64-L169 HydrophobicContact CD1-CD1 3.81Å; L64-L169 HydrophobicContact CD2-CD1 4.14Å; L64-L169 HydrophobicContact CG-CD1 4.41Å; A147-L169 PolarHBondContact O-N 3.33Å; I148-L169 WeakPolarHBondContact CA-O 3.48Å; I148-L169 HydrophobicContact CG1-CB 4.13Å; I148-L169 HydrophobicContact CG1-CD1 4.21Å; I148-L169 WeakPolarHBondContact CG2-O 3.47Å; V149-L169 PolarHBondContact N-O 3.4Å; V149-L169 VanDerWaalsContact N-O 3.07Å; R167-L169 HydrophobicContact CG-CG 4.5Å
170	P	97.4	Very high	95.9	Very high	31 Å²	31	39 Å²	39	20%	0.201	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.1	174.9	-19.9	34.2	0	0	0	113.1	R58 V149 D152 V158 L168	R58-P170 PolarHBondContact NH1-O 3.02Å; R58-P170 PolarHBondContact NH2-O 3.39Å; V149-P170 HydrophobicContact CG1-CB 4.08Å; V149-P170 HydrophobicContact CG1-CG 4.22Å; V149-P170 WeakPolarHBondContact O-CA 3.43Å; D152-P170 HydrophobicContact CB-CB 3.62Å; D152-P170 HydrophobicContact CB-CG 3.72Å; V158-P170 HydrophobicContact CG2-CG 4.01Å; L168-P170 WeakPolarHBondContact O-CD 3.45Å
171	I	97.6	Very high	96.2	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-48.7	168.2	-56	-57.6	0	0	0	110.6	I6 V54 I55 R58 I148 V149 L150	I6-I171 HydrophobicContact CD1-CG2 3.77Å; V54-I171 HydrophobicContact CG1-CD1 4.31Å; V54-I171 HydrophobicContact CG1-CG2 3.43Å; V54-I171 VanDerWaalsContact CG1-CG2 3.43Å; I55-I171 HydrophobicContact CG1-CG1 4.18Å; R58-I171 HydrophobicContact CB-CD1 3.39Å; R58-I171 HydrophobicContact CG-CD1 3.75Å; I148-I171 HydrophobicContact CG2-CD1 3.96Å; I148-I171 HydrophobicContact CG2-CG1 4.16Å; V149-I171 PolarHBondContact O-N 2.84Å; L150-I171 HydrophobicContact CD1-CB 4.19Å; L150-I171 HydrophobicContact CD1-CG2 4.21Å
172	I	97.5	Very high	96.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.5	-178.9	-55.4	170.4	0	0	0	108.5	I6 L9 I10 L13 L150 M151 D152 L177	I6-I172 HydrophobicContact CG2-CG1 4.11Å; L9-I172 HydrophobicContact CD2-CD1 4.44Å; I10-I172 HydrophobicContact CD1-CG2 3.97Å; I10-I172 HydrophobicContact CG1-CD1 3.82Å; I10-I172 HydrophobicContact CG1-CG1 4.33Å; I10-I172 HydrophobicContact CG1-CG2 4.01Å; L13-I172 HydrophobicContact CD1-CD1 3.8Å; L150-I172 HydrophobicContact CD1-CD1 4.14Å; L150-I172 WeakPolarHBondContact O-CB 3.3Å; L150-I172 PolarHBondContact O-N 2.81Å; M151-I172 HydrophobicContact CE-CB 3.99Å; M151-I172 HydrophobicContact CE-CD1 4.13Å; M151-I172 HydrophobicContact CE-CG2 3.8Å; M151-I172 HydrophobicContact SD-CB 4.1Å; M151-I172 HydrophobicContact SD-CG2 3.82Å; D152-I172 PolarHBondContact N-O 2.87Å; I172-L177 HydrophobicContact CG2-CB 3.99Å
173	S	96.5	Very high	96.5	Very high	32 Å²	32	42.1 Å²	42.1	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	152.6	167.7	98	0	0	0	0	110.5	E154 F175 K176 L177	E154-S173 VanDerWaalsContact CD-CB 3.49Å; E154-S173 WeakPolarHBondContact OE1-CB 3.25Å; E154-S173 PolarHBondContact OE1-OG 2.88Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 3.28Å; S173-K176 PolarHBondContact O-N 3.04Å; S173-K176 PolarHBondContact OG-N 3.07Å; S173-L177 PolarHBondContact O-N 3.08Å
174	M	94.8	Very high	96.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-40.4	-177.4	-165.6	56.5	65.6	0	0	112.5	I34 I36 M151 D152 R153 E154 L177 L178 I199	I34-M174 HydrophobicContact CD1-SD 3.62Å; I36-M174 HydrophobicContact CD1-CE 4.17Å; I36-M174 HydrophobicContact CG1-CE 4.05Å; M151-M174 HydrophobicContact CG-CE 4.08Å; M151-M174 HydrophobicContact SD-CE 4.1Å; D152-M174 PolarHBondContact O-N 3.19Å; R153-M174 HydrophobicContact CB-CE 4.24Å; R153-M174 HydrophobicContact CG-CE 3.75Å; E154-M174 PolarHBondContact OE2-N 3.09Å; M174-L177 WeakPolarHBondContact O-CB 3.27Å; M174-L177 PolarHBondContact O-N 3.38Å; M174-L177 HydrophobicContact SD-CD2 3.96Å; M174-L178 VanDerWaalsContact O-CG 3.3Å; M174-L178 WeakPolarHBondContact O-CG 3.27Å; M174-L178 PolarHBondContact O-N 3.06Å; M174-I199 HydrophobicContact CB-CD1 3.82Å; M174-I199 HydrophobicContact CG-CD1 3.23Å; M174-I199 HydrophobicContact CG-CG1 4.19Å
175	F	95.4	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	22%	0.219	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-42.1	175.4	-70.8	-8.4	0	0	0	111.9	E154 S173 L177 L178 D179 R196 I199 L200	E154-F175 WeakPolarHBondContact OE2-CB 3.47Å; E154-F175 WeakPolarHBondContact OE2-CD1 3.47Å; E154-F175 WeakPolarHBondContact OE2-CG 3.28Å; E154-F175 PolarHBondContact OE2-N 3.07Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 3.28Å; F175-L177 VanDerWaalsContact C-N 3.34Å; F175-L177 PolarHBondContact O-N 3.31Å; F175-L178 HydrophobicContact CD1-CD1 4.47Å; F175-L178 PolarHBondContact O-N 2.73Å; F175-D179 PolarHBondContact O-N 3.5Å; F175-R196 HydrophobicContact CD1-CG 4.07Å; F175-R196 HydrophobicContact CE1-CB 4.27Å; F175-R196 HydrophobicContact CE1-CG 3.99Å; F175-R196 VanDerWaalsContact CG-NH1 3.29Å; F175-I199 HydrophobicContact CD1-CD1 3.98Å; F175-I199 HydrophobicContact CE1-CB 4.11Å; F175-I199 HydrophobicContact CE1-CD1 3.71Å; F175-I199 HydrophobicContact CE1-CG2 3.98Å; F175-I199 HydrophobicContact CZ-CG2 4.22Å; F175-L200 HydrophobicContact CZ-CD2 4.03Å; F175-L200 HydrophobicContact CZ-CG 4.18Å
176	K	97	Very high	97.2	Very high	81 Å²	81	43.8 Å²	43.8	35%	0.352	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-41.5	174.3	176.8	60.1	178.5	168.7	0	111.6	D7 I10 S173 L178 D179 V180	D7-K176 WeakPolarHBondContact OD1-CE 3.37Å; D7-K176 IonicContact OD1-NZ 2.69Å; D7-K176 PolarHBondContact OD1-NZ 2.94Å; D7-K176 IonicContact OD2-NZ 3.32Å; D7-K176 PolarHBondContact OD2-NZ 3.23Å; I10-K176 HydrophobicContact CD1-CG 4.24Å; S173-K176 PolarHBondContact O-N 3.04Å; S173-K176 PolarHBondContact OG-N 3.07Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.49Å; K176-D179 PolarHBondContact O-N 2.92Å; K176-V180 HydrophobicContact CD-CG2 4.14Å; K176-V180 WeakPolarHBondContact O-CG2 3.32Å; K176-V180 PolarHBondContact O-N 2.93Å; K176-V180 VanDerWaalsContact O-N 3.08Å
177	L	97.9	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-46.4	174.2	171.2	150.6	0	0	0	111.5	I10 V19 F21 I34 M151 I172 S173 M174 F175 V180 L181	I10-L177 HydrophobicContact CG2-CG 4.2Å; V19-L177 HydrophobicContact CG1-CD1 4.11Å; V19-L177 HydrophobicContact CG1-CD2 4.12Å; V19-L177 HydrophobicContact CG2-CD1 3.74Å; F21-L177 HydrophobicContact CZ-CD2 4.42Å; I34-L177 HydrophobicContact CD1-CD2 4.01Å; M151-L177 HydrophobicContact CE-CD1 3.44Å; M151-L177 VanDerWaalsContact CE-CD1 3.44Å; M151-L177 HydrophobicContact SD-CD1 3.84Å; I172-L177 HydrophobicContact CG2-CB 3.99Å; S173-L177 PolarHBondContact O-N 3.08Å; M174-L177 WeakPolarHBondContact O-CB 3.27Å; M174-L177 PolarHBondContact O-N 3.38Å; M174-L177 HydrophobicContact SD-CD2 3.96Å; F175-L177 VanDerWaalsContact C-N 3.34Å; F175-L177 PolarHBondContact O-N 3.31Å; L177-V180 PolarHBondContact O-N 3.13Å; L177-L181 HydrophobicContact CD2-CD1 3.64Å; L177-L181 HydrophobicContact CG-CD1 3.94Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.21Å; L177-L181 PolarHBondContact O-N 3.17Å
178	L	97.4	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-40.8	-180	-66.3	172.7	0	0	0	111.9	F21 M174 F175 K176 L181 L182 I187 V195 R196 I199	F21-L178 HydrophobicContact CE1-CD2 3.91Å; F21-L178 HydrophobicContact CZ-CD2 4.32Å; M174-L178 VanDerWaalsContact O-CG 3.3Å; M174-L178 WeakPolarHBondContact O-CG 3.27Å; M174-L178 PolarHBondContact O-N 3.06Å; F175-L178 HydrophobicContact CD1-CD1 4.47Å; F175-L178 PolarHBondContact O-N 2.73Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.49Å; L178-L181 PolarHBondContact O-N 2.82Å; L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.33Å; L178-L182 PolarHBondContact O-N 3.33Å; L178-I187 HydrophobicContact CD2-CD1 3.91Å; L178-V195 HydrophobicContact CD1-CB 3.91Å; L178-V195 HydrophobicContact CD1-CG1 3.75Å; L178-V195 HydrophobicContact CD2-CB 4.01Å; L178-V195 HydrophobicContact CD2-CG1 3.97Å; L178-V195 HydrophobicContact CD2-CG2 4.32Å; L178-V195 HydrophobicContact CG-CG1 4.39Å; L178-R196 HydrophobicContact CD1-CG 3.67Å; L178-I199 HydrophobicContact CD1-CD1 4.32Å
179	D	97.4	Very high	97	Very high	80 Å²	80	45.9 Å²	45.9	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-43.3	178.6	-72.5	-32.1	0	0	0	112.1	F175 K176 A183 R196	F175-D179 PolarHBondContact O-N 3.5Å; K176-D179 PolarHBondContact O-N 2.92Å; D179-A183 VanDerWaalsContact O-CB 3.26Å; D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 3.38Å; D179-R196 IonicContact OD1-CZ 3.92Å; D179-R196 IonicContact OD1-NH2 3.18Å; D179-R196 PolarHBondContact OD1-NH2 2.71Å; D179-R196 IonicContact OD2-NH2 2.72Å; D179-R196 PolarHBondContact OD2-NH2 3.09Å
180	V	97.9	Very high	96.8	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-43.8	177.9	172.1	0	0	0	0	111.3	D7 I10 L11 K176 L177 A183 A184	D7-V180 HydrophobicContact CB-CG1 4.03Å; D7-V180 HydrophobicContact CB-CG2 4.09Å; D7-V180 WeakPolarHBondContact OD1-CG2 3.45Å; I10-V180 HydrophobicContact CB-CB 4.48Å; I10-V180 HydrophobicContact CB-CG1 4.03Å; I10-V180 HydrophobicContact CD1-CB 4.11Å; I10-V180 HydrophobicContact CD1-CG1 4.4Å; I10-V180 HydrophobicContact CD1-CG2 3.85Å; I10-V180 HydrophobicContact CG2-CB 4.04Å; I10-V180 HydrophobicContact CG2-CG1 3.83Å; L11-V180 HydrophobicContact CD2-CG1 4.09Å; L11-V180 HydrophobicContact CG-CG1 4.22Å; K176-V180 HydrophobicContact CD-CG2 4.14Å; K176-V180 WeakPolarHBondContact O-CG2 3.32Å; K176-V180 PolarHBondContact O-N 2.93Å; K176-V180 VanDerWaalsContact O-N 3.08Å; L177-V180 PolarHBondContact O-N 3.13Å; V180-A183 PolarHBondContact O-N 3.03Å; V180-A184 VanDerWaalsContact O-CB 3.31Å; V180-A184 WeakPolarHBondContact O-CB 3.47Å; V180-A184 PolarHBondContact O-N 3.48Å
181	L	97.9	Very high	96.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.4	-34.9	-179.9	-67.2	175.4	0	0	0	112.5	I10 L11 H14 V19 F21 L177 L178 E185 R186 I187	I10-L181 HydrophobicContact CG2-CD2 4.07Å; I10-L181 HydrophobicContact CG2-CG 4.01Å; L11-L181 HydrophobicContact CD2-CD2 4.11Å; H14-L181 HydrophobicContact CB-CD2 3.67Å; V19-L181 HydrophobicContact CG1-CD1 4.21Å; F21-L181 HydrophobicContact CE2-CD1 3.77Å; F21-L181 HydrophobicContact CZ-CD1 3.57Å; L177-L181 HydrophobicContact CD2-CD1 3.64Å; L177-L181 HydrophobicContact CG-CD1 3.94Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.21Å; L177-L181 PolarHBondContact O-N 3.17Å; L178-L181 PolarHBondContact O-N 2.82Å; L181-E185 PolarHBondContact O-N 3.21Å; L181-R186 HydrophobicContact CB-CB 4.22Å; L181-R186 HydrophobicContact CD2-CB 3.85Å; L181-R186 HydrophobicContact CD2-CG 4.16Å; L181-R186 PolarHBondContact O-N 3.25Å; L181-I187 HydrophobicContact CB-CD1 3.91Å; L181-I187 HydrophobicContact CB-CG1 3.9Å; L181-I187 HydrophobicContact CB-CG2 4.48Å; L181-I187 PolarHBondContact O-N 3.39Å
182	L	97.3	Very high	96.5	Very high	64 Å²	64	49.3 Å²	49.3	34%	0.335	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-46	174.3	-177.3	63.9	0	0	0	111.1	L178 A184 E185 I187 A189 A192	L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.33Å; L178-L182 PolarHBondContact O-N 3.33Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.39Å; L182-E185 PolarHBondContact O-N 3.35Å; L182-E185 VanDerWaalsContact O-N 3.09Å; L182-I187 HydrophobicContact CB-CG1 4.3Å; L182-A189 HydrophobicContact CD1-CB 4.27Å; L182-A192 HydrophobicContact CD2-CB 4.36Å
183	A	97.1	Very high	96.3	Very high	88 Å²	88	56 Å²	56	73%	0.727	31%	0.309	S	S	*	.	H	α-helix	trans	-64.1	-30	178.4	0	0	0	0	0	113.1	D179 V180 E185	D179-A183 VanDerWaalsContact O-CB 3.26Å; D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 3.38Å; V180-A183 PolarHBondContact O-N 3.03Å; A183-E185 VanDerWaalsContact C-N 3.33Å
184	A	97.1	Very high	96.1	Very high	37 Å²	37	57 Å²	57	31%	0.306	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	9	176	0	0	0	0	0	113.8	L11 V180 L182 R186	L11-A184 HydrophobicContact CD1-CB 4.36Å; L11-A184 HydrophobicContact CD2-CB 3.46Å; L11-A184 VanDerWaalsContact CD2-CB 3.46Å; V180-A184 VanDerWaalsContact O-CB 3.31Å; V180-A184 WeakPolarHBondContact O-CB 3.47Å; V180-A184 PolarHBondContact O-N 3.48Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.39Å; A184-R186 HydrophobicContact CB-CG 4.29Å; A184-R186 PolarHBondContact O-N 3.48Å; A184-R186 VanDerWaalsContact O-N 3.12Å
185	E	96.6	Very high	96	Very high	177 Å²	177	57 Å²	57	83%	0.827	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	29.5	179.8	-56	179.6	-177	0	0	113.5	L181 L182 A183	L181-E185 PolarHBondContact O-N 3.21Å; L182-E185 PolarHBondContact O-N 3.35Å; L182-E185 VanDerWaalsContact O-N 3.09Å; A183-E185 VanDerWaalsContact C-N 3.33Å
186	R	96.4	Very high	96	Very high	120 Å²	120	57.8 Å²	57.8	45%	0.453	32%	0.317	S	S	.	.	S	Bend	trans	-83.7	-21.1	174.4	-70.4	-63.1	-163.4	-119.3	4.9	112.6	L11 D15 L181 A184	L11-R186 HydrophobicContact CD2-CG 4.21Å; D15-R186 IonicContact OD1-CZ 2.61Å; D15-R186 IonicContact OD1-NE 3.56Å; D15-R186 PolarHBondContact OD1-NE 2.93Å; D15-R186 IonicContact OD1-NH2 3.76Å; D15-R186 PolarHBondContact OD1-NH2 3.2Å; D15-R186 IonicContact OD2-NH2 3.32Å; L181-R186 HydrophobicContact CB-CB 4.22Å; L181-R186 HydrophobicContact CD2-CB 3.85Å; L181-R186 HydrophobicContact CD2-CG 4.16Å; L181-R186 PolarHBondContact O-N 3.25Å; A184-R186 HydrophobicContact CB-CG 4.29Å; A184-R186 PolarHBondContact O-N 3.48Å; A184-R186 VanDerWaalsContact O-N 3.12Å
187	I	96.9	Very high	95.6	Very high	17 Å²	17	60 Å²	60	9%	0.087	33%	0.326	C	S	.	.	S	Bend	trans	-137.3	157.7	171.8	61.4	178.5	0	0	0	110.1	F21 L178 L181 L182 T191 A192	F21-I187 HydrophobicContact CD1-CG2 4.22Å; F21-I187 HydrophobicContact CD2-CG2 3.53Å; F21-I187 HydrophobicContact CE1-CD1 4.22Å; F21-I187 HydrophobicContact CE1-CG2 4.01Å; F21-I187 HydrophobicContact CE2-CG2 3.3Å; F21-I187 HydrophobicContact CG-CG2 4Å; F21-I187 HydrophobicContact CZ-CD1 4.12Å; F21-I187 HydrophobicContact CZ-CG2 3.56Å; L178-I187 HydrophobicContact CD2-CD1 3.91Å; L181-I187 HydrophobicContact CB-CD1 3.91Å; L181-I187 HydrophobicContact CB-CG1 3.9Å; L181-I187 HydrophobicContact CB-CG2 4.48Å; L181-I187 PolarHBondContact O-N 3.39Å; L182-I187 HydrophobicContact CB-CG1 4.3Å; I187-T191 HydrophobicContact CB-CG2 4.34Å; I187-T191 HydrophobicContact CG2-CG2 4.4Å; I187-A192 HydrophobicContact CD1-CB 3.85Å
188	D	95.8	Very high	95.2	Very high	89 Å²	89	60.9 Å²	60.9	48%	0.476	33%	0.331	S	S	.	.			trans	-88.2	163.7	173	65.1	22.7	0	0	0	112.6	P190 T191 A192	D188-P190 WeakPolarHBondContact OD1-CD 3.43Å; D188-T191 PolarHBondContact O-N 3.01Å; D188-T191 WeakPolarHBondContact OD1-CA 3.34Å; D188-T191 WeakPolarHBondContact OD1-CB 3.25Å; D188-T191 PolarHBondContact OD1-N 3.04Å; D188-T191 PolarHBondContact OD1-OG1 3.23Å; D188-A192 PolarHBondContact O-N 2.94Å
189	A	95.9	Very high	94.7	Very high	59 Å²	59	61 Å²	61	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-40.9	179.6	0	0	0	0	0	113.4	L182 T191 A192 Q193	L182-A189 HydrophobicContact CD1-CB 4.27Å; A189-T191 PolarHBondContact O-N 3.4Å; A189-A192 PolarHBondContact O-N 3.16Å; A189-Q193 WeakPolarHBondContact O-CB 3.44Å; A189-Q193 PolarHBondContact O-N 3.27Å
190	P	95.9	Very high	94.1	Very high	85 Å²	85	62.8 Å²	62.8	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-58.8	-44.1	173.9	-26.4	35.8	0	0	0	113.7	D188 Q193 S194	D188-P190 WeakPolarHBondContact OD1-CD 3.43Å; P190-Q193 PolarHBondContact O-N 2.9Å; P190-S194 WeakPolarHBondContact O-CB 3.45Å; P190-S194 PolarHBondContact O-N 2.88Å
191	T	93.3	Very high	93.4	Very high	39 Å²	39	67 Å²	67	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-50.1	176.6	-61.7	0	0	0	0	110.1	F21 I187 D188 A189 Q193 S194 V195	F21-T191 HydrophobicContact CB-CG2 4.11Å; F21-T191 HydrophobicContact CD1-CG2 3.54Å; F21-T191 HydrophobicContact CE1-CG2 4.23Å; F21-T191 HydrophobicContact CG-CG2 3.99Å; I187-T191 HydrophobicContact CB-CG2 4.34Å; I187-T191 HydrophobicContact CG2-CG2 4.4Å; D188-T191 PolarHBondContact O-N 3.01Å; D188-T191 WeakPolarHBondContact OD1-CA 3.34Å; D188-T191 WeakPolarHBondContact OD1-CB 3.25Å; D188-T191 PolarHBondContact OD1-N 3.04Å; D188-T191 PolarHBondContact OD1-OG1 3.23Å; A189-T191 PolarHBondContact O-N 3.4Å; T191-Q193 VanDerWaalsContact C-N 3.32Å; T191-Q193 PolarHBondContact O-N 2.85Å; T191-S194 PolarHBondContact O-N 2.86Å; T191-S194 PolarHBondContact O-OG 2.83Å; T191-V195 WeakPolarHBondContact O-CG2 3.34Å; T191-V195 PolarHBondContact O-N 3.05Å; T191-V195 VanDerWaalsContact O-N 3.11Å
192	A	94	Very high	92.5	Very high	4 Å²	4	69 Å²	69	3%	0.033	37%	0.373	C	S	.	.	H	α-helix	trans	-58	-43.9	178.1	0	0	0	0	0	112.1	L182 I187 D188 A189 V195 R196	L182-A192 HydrophobicContact CD2-CB 4.36Å; I187-A192 HydrophobicContact CD1-CB 3.85Å; D188-A192 PolarHBondContact O-N 2.94Å; A189-A192 PolarHBondContact O-N 3.16Å; A192-V195 PolarHBondContact O-N 2.97Å; A192-R196 WeakPolarHBondContact O-CG 3.33Å; A192-R196 PolarHBondContact O-N 3.37Å
193	Q	93.1	Very high	91.4	Very high	143 Å²	143	69.8 Å²	69.8	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-65	-41.2	178.1	-171.1	177.3	14.2	0	0	112.3	A189 P190 T191 V195 R196 K197	A189-Q193 WeakPolarHBondContact O-CB 3.44Å; A189-Q193 PolarHBondContact O-N 3.27Å; P190-Q193 PolarHBondContact O-N 2.9Å; T191-Q193 VanDerWaalsContact C-N 3.32Å; T191-Q193 PolarHBondContact O-N 2.85Å; Q193-V195 VanDerWaalsContact C-N 3.3Å; Q193-V195 PolarHBondContact O-N 2.87Å; Q193-R196 PolarHBondContact O-N 2.72Å; Q193-K197 WeakPolarHBondContact O-CB 3.49Å; Q193-K197 PolarHBondContact O-N 2.71Å
194	S	93.3	Very high	90	Very high	52 Å²	52	69.3 Å²	69.3	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-41.2	177.8	79	0	0	0	0	111.8	P190 T191 F198	P190-S194 WeakPolarHBondContact O-CB 3.45Å; P190-S194 PolarHBondContact O-N 2.88Å; T191-S194 PolarHBondContact O-N 2.86Å; T191-S194 PolarHBondContact O-OG 2.83Å; S194-F198 WeakPolarHBondContact O-CB 3.46Å; S194-F198 PolarHBondContact O-N 3.3Å
195	V	92.5	Very high	87.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-70.6	-44.4	179.3	-178	0	0	0	0	110.8	F21 P33 I34 L178 T191 A192 Q193 K197 F198 I199	F21-V195 HydrophobicContact CD1-CG2 4.18Å; F21-V195 HydrophobicContact CE1-CG2 4.2Å; P33-V195 HydrophobicContact CB-CG2 3.92Å; P33-V195 HydrophobicContact CG-CB 4.21Å; P33-V195 HydrophobicContact CG-CG2 3.75Å; I34-V195 HydrophobicContact CB-CG1 4.06Å; I34-V195 HydrophobicContact CB-CG2 4.1Å; I34-V195 HydrophobicContact CD1-CG1 4.26Å; I34-V195 HydrophobicContact CG2-CG1 3.56Å; I34-V195 HydrophobicContact CG2-CG2 4.4Å; L178-V195 HydrophobicContact CD1-CB 3.91Å; L178-V195 HydrophobicContact CD1-CG1 3.75Å; L178-V195 HydrophobicContact CD2-CB 4.01Å; L178-V195 HydrophobicContact CD2-CG1 3.97Å; L178-V195 HydrophobicContact CD2-CG2 4.32Å; L178-V195 HydrophobicContact CG-CG1 4.39Å; T191-V195 WeakPolarHBondContact O-CG2 3.34Å; T191-V195 PolarHBondContact O-N 3.05Å; T191-V195 VanDerWaalsContact O-N 3.11Å; A192-V195 PolarHBondContact O-N 2.97Å; Q193-V195 VanDerWaalsContact C-N 3.3Å; Q193-V195 PolarHBondContact O-N 2.87Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 3.03Å; V195-F198 WeakPolarHBondContact O-CB 3.2Å; V195-F198 PolarHBondContact O-N 3.32Å; V195-F198 VanDerWaalsContact O-N 3.17Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.47Å; V195-I199 WeakPolarHBondContact O-CD1 3.43Å; V195-I199 VanDerWaalsContact O-CG1 3.31Å; V195-I199 WeakPolarHBondContact O-CG1 3.38Å; V195-I199 PolarHBondContact O-N 2.73Å
196	R	94.4	Very high	85.9	Confident	68 Å²	68	71.6 Å²	71.6	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-56.5	-46.7	174.9	-74.9	-179.9	175.9	-82	1.9	111.7	F175 L178 D179 A192 Q193 F198 I199 L200	F175-R196 HydrophobicContact CD1-CG 4.07Å; F175-R196 HydrophobicContact CE1-CB 4.27Å; F175-R196 HydrophobicContact CE1-CG 3.99Å; F175-R196 VanDerWaalsContact CG-NH1 3.29Å; L178-R196 HydrophobicContact CD1-CG 3.67Å; D179-R196 IonicContact OD1-CZ 3.92Å; D179-R196 IonicContact OD1-NH2 3.18Å; D179-R196 PolarHBondContact OD1-NH2 2.71Å; D179-R196 IonicContact OD2-NH2 2.72Å; D179-R196 PolarHBondContact OD2-NH2 3.09Å; A192-R196 WeakPolarHBondContact O-CG 3.33Å; A192-R196 PolarHBondContact O-N 3.37Å; Q193-R196 PolarHBondContact O-N 2.72Å; R196-F198 PolarHBondContact O-N 2.72Å; R196-I199 PolarHBondContact O-N 3.04Å; R196-L200 WeakPolarHBondContact O-CG 3.27Å; R196-L200 PolarHBondContact O-N 3.45Å; R196-L200 VanDerWaalsContact O-N 3.12Å
197	K	89.2	Confident	83.4	Confident	126 Å²	126	70 Å²	70	55%	0.548	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-47	176	178.4	167.1	174.3	48.2	0	111.4	Q193 V195 I199 L200 D201	Q193-K197 WeakPolarHBondContact O-CB 3.49Å; Q193-K197 PolarHBondContact O-N 2.71Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 3.03Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 2.83Å; K197-L200 PolarHBondContact O-N 3.42Å; K197-D201 WeakPolarHBondContact CE-OD2 3.38Å; K197-D201 VanDerWaalsContact CG-OD2 3.28Å; K197-D201 WeakPolarHBondContact CG-OD2 3.15Å; K197-D201 IonicContact NZ-OD1 3.65Å; K197-D201 IonicContact NZ-OD2 3.57Å; K197-D201 PolarHBondContact NZ-OD2 2.82Å; K197-D201 WeakPolarHBondContact O-CB 3.14Å; K197-D201 VanDerWaalsContact O-CG 3.22Å; K197-D201 PolarHBondContact O-N 2.83Å
198	F	88.9	Confident	80.7	Confident	20 Å²	20	78.7 Å²	78.7	9%	0.088	40%	0.403	C	S	.	.	H	α-helix	trans	-57.6	-44.5	177.4	176.4	-91.6	0	0	0	112.5	L26 L30 L31 P33 S194 V195 R196 D201 N202	L26-F198 HydrophobicContact CD1-CE1 4.31Å; L26-F198 HydrophobicContact CD1-CZ 3.8Å; L30-F198 HydrophobicContact CB-CE2 4.45Å; L31-F198 WeakPolarHBondContact O-CE2 3.35Å; P33-F198 HydrophobicContact CG-CB 3.83Å; P33-F198 HydrophobicContact CG-CG 4.16Å; S194-F198 WeakPolarHBondContact O-CB 3.46Å; S194-F198 PolarHBondContact O-N 3.3Å; V195-F198 WeakPolarHBondContact O-CB 3.2Å; V195-F198 PolarHBondContact O-N 3.32Å; V195-F198 VanDerWaalsContact O-N 3.17Å; R196-F198 PolarHBondContact O-N 2.72Å; F198-D201 PolarHBondContact O-N 3.33Å; F198-N202 WeakPolarHBondContact CD2-ND2 3.48Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.37Å; F198-N202 HydrophobicContact CZ-CB 4.47Å; F198-N202 WeakPolarHBondContact O-CB 3.48Å; F198-N202 PolarHBondContact O-N 3.32Å; F198-N202 VanDerWaalsContact O-N 3.12Å; F198-N202 PolarHBondContact O-ND2 3.35Å
199	I	87	Confident	77.7	Confident	3 Å²	3	84 Å²	84	2%	0.015	42%	0.421	C	S	.	.	H	α-helix	trans	-61.5	-48.7	179.5	-65.9	156	0	0	0	110.8	R153 E154 Q155 M174 F175 L178 V195 R196 K197 N202 N203	R153-I199 WeakPolarHBondContact O-CG2 3.36Å; E154-I199 HydrophobicContact CB-CG2 4.06Å; Q155-I199 HydrophobicContact CG-CG2 4.22Å; M174-I199 HydrophobicContact CB-CD1 3.82Å; M174-I199 HydrophobicContact CG-CD1 3.23Å; M174-I199 HydrophobicContact CG-CG1 4.19Å; F175-I199 HydrophobicContact CD1-CD1 3.98Å; F175-I199 HydrophobicContact CE1-CB 4.11Å; F175-I199 HydrophobicContact CE1-CD1 3.71Å; F175-I199 HydrophobicContact CE1-CG2 3.98Å; F175-I199 HydrophobicContact CZ-CG2 4.22Å; L178-I199 HydrophobicContact CD1-CD1 4.32Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.47Å; V195-I199 WeakPolarHBondContact O-CD1 3.43Å; V195-I199 VanDerWaalsContact O-CG1 3.31Å; V195-I199 WeakPolarHBondContact O-CG1 3.38Å; V195-I199 PolarHBondContact O-N 2.73Å; R196-I199 PolarHBondContact O-N 3.04Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 2.83Å; I199-N202 CarbonylContact O-C 3.56Å; I199-N202 PolarHBondContact O-N 3.07Å; I199-N203 PolarHBondContact O-N 2.77Å
200	L	86.1	Confident	74.5	Confident	117 Å²	117	87.8 Å²	87.8	61%	0.613	44%	0.438	S	S	*	.	H	α-helix	trans	-63.8	-42.5	-179.5	-68	172.7	0	0	0	112.2	F175 R196 K197 N202	F175-L200 HydrophobicContact CZ-CD2 4.03Å; F175-L200 HydrophobicContact CZ-CG 4.18Å; R196-L200 WeakPolarHBondContact O-CG 3.27Å; R196-L200 PolarHBondContact O-N 3.45Å; R196-L200 VanDerWaalsContact O-N 3.12Å; K197-L200 PolarHBondContact O-N 3.42Å; L200-N202 PolarHBondContact O-N 3.19Å
201	D	82.4	Confident	71.5	Confident	100 Å²	100	91.9 Å²	91.9	54%	0.535	46%	0.456	S	S	.	.	H	α-helix	trans	-70.5	-20.9	-178.7	-69.4	-12.8	0	0	0	112.2	K197 F198	K197-D201 WeakPolarHBondContact CE-OD2 3.38Å; K197-D201 VanDerWaalsContact CG-OD2 3.28Å; K197-D201 WeakPolarHBondContact CG-OD2 3.15Å; K197-D201 IonicContact NZ-OD1 3.65Å; K197-D201 IonicContact NZ-OD2 3.57Å; K197-D201 PolarHBondContact NZ-OD2 2.82Å; K197-D201 WeakPolarHBondContact O-CB 3.14Å; K197-D201 VanDerWaalsContact O-CG 3.22Å; K197-D201 PolarHBondContact O-N 2.83Å; F198-D201 PolarHBondContact O-N 3.33Å
202	N	79.8	Confident	68.4	Low	40 Å²	40	93.3 Å²	93.3	21%	0.214	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	35.4	-173.6	-62.6	-84.8	0	0	0	113.4	L30 Q155 F198 I199 L200 T204	L30-N202 VanDerWaalsContact CD1-OD1 3.26Å; L30-N202 WeakPolarHBondContact CD1-OD1 3.5Å; Q155-N202 PolarHBondContact NE2-O 3.42Å; F198-N202 WeakPolarHBondContact CD2-ND2 3.48Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.37Å; F198-N202 HydrophobicContact CZ-CB 4.47Å; F198-N202 WeakPolarHBondContact O-CB 3.48Å; F198-N202 PolarHBondContact O-N 3.32Å; F198-N202 VanDerWaalsContact O-N 3.12Å; F198-N202 PolarHBondContact O-ND2 3.35Å; I199-N202 CarbonylContact O-C 3.56Å; I199-N202 PolarHBondContact O-N 3.07Å; L200-N202 PolarHBondContact O-N 3.19Å; N202-T204 PolarHBondContact O-N 2.85Å
203	N	74.4	Confident	65.3	Low	81 Å²	81	98.4 Å²	98.4	43%	0.433	51%	0.514	S	S	.	.			trans	-68.9	123.8	172.4	-167.2	-20.2	0	0	0	110.7	Q155 G156 I199 F205	Q155-N203 VanDerWaalsContact C-OD1 3.25Å; Q155-N203 PolarHBondContact O-OD1 3.47Å; G156-N203 WeakPolarHBondContact CA-OD1 3.45Å; G156-N203 PolarHBondContact N-OD1 3.1Å; I199-N203 PolarHBondContact O-N 2.77Å; N203-F205 PolarHBondContact OD1-N 3.49Å; N203-F205 PolarHBondContact OD1-O 2.87Å
204	T	67.4	Low	62.5	Low	78 Å²	78	99.3 Å²	99.3	48%	0.479	52%	0.523	S	S	.	.			trans	-89.5	-8.8	-170.8	68.1	0	0	0	0	114.1	T125 Q155 N202	T125-T204 HydrophobicContact CG2-CG2 4.49Å; Q155-T204 HydrophobicContact CB-CG2 4.49Å; Q155-T204 WeakPolarHBondContact O-CB 3.46Å; Q155-T204 PolarHBondContact O-N 2.89Å; Q155-T204 PolarHBondContact O-OG1 3.45Å; N202-T204 PolarHBondContact O-N 2.85Å
205	F	53.8	Low	59.4	Low	45 Å²	45	101.6 Å²	101.6	20%	0.197	55%	0.545	C	S	.	.			trans	-122	132.7	-178.5	-171.3	-99.3	0	0	0	112	G156 D159 M160 N203 P207	G156-F205 WeakPolarHBondContact O-CB 3.44Å; D159-F205 HydrophobicContact CB-CD1 3.22Å; D159-F205 HydrophobicContact CB-CE1 3.33Å; D159-F205 HydrophobicContact CB-CG 4.1Å; D159-F205 HydrophobicContact CB-CZ 4.28Å; M160-F205 HydrophobicContact CB-CD2 3.65Å; M160-F205 HydrophobicContact CB-CE2 4.05Å; M160-F205 HydrophobicContact CB-CG 4.19Å; M160-F205 HydrophobicContact CG-CD2 3.99Å; M160-F205 HydrophobicContact CG-CE2 4.28Å; N203-F205 PolarHBondContact OD1-N 3.49Å; N203-F205 PolarHBondContact OD1-O 2.87Å; F205-P207 HydrophobicContact CE1-CB 3.87Å; F205-P207 HydrophobicContact CE1-CG 4.41Å
206	R	53.3	Low	57	Low	217 Å²	217	107.9 Å²	107.9	82%	0.819	59%	0.586	S	S	*	*			trans	-123.2	110.7	171.1	-68	-174	-176.2	-174.9	0.9	108.8
207	P	43.3	Very low	53.7	Low	88 Å²	88	109.2 Å²	109.2	57%	0.571	61%	0.612	S	S	*	*			trans	-66.5	137.3	-179.7	21.4	-28.3	0	0	0	111.6	F205 K209	F205-P207 HydrophobicContact CE1-CB 3.87Å; F205-P207 HydrophobicContact CE1-CG 4.41Å; P207-K209 PolarHBondContact O-N 3.33Å
208	K	40.6	Very low	51	Low	199 Å²	199	109 Å²	109	87%	0.865	62%	0.623	S	S	*	*			trans	-69.3	115.9	162.9	-84	-177	175.6	179.1	0	107.9	T210	K208-T210 PolarHBondContact O-N 3.03Å
209	K	32.4	Very low	48.7	Very low	201 Å²	201	118.1 Å²	118.1	87%	0.874	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.2	171.2	-75.7	-172.8	176.1	-177.6	0	109.5	P207	P207-K209 PolarHBondContact O-N 3.33Å
210	T	30.4	Very low	46	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-84	131.9	167.3	39.1	0	0	0	0	109.3	K208	K208-T210 PolarHBondContact O-N 3.03Å
211	N	31.5	Very low	43.1	Very low	171 Å²	171	129.5 Å²	129.5	91%	0.914	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-75.7	144.3	-174.8	-73	-27	0	0	0	112.7
212	G	29.4	Very low	40.3	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	73%	0.726	S	S	*	*			trans	-155.4	107.4	164.7	0	0	0	0	0	112.7
213	S	28.7	Very low	38	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	76%	0.757	S	S	*	*			trans	58.2	113.9	156.5	63.8	0	0	0	0	123.4
214	D	34.5	Very low	35.7	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	77%	0.77	S	S	*	*				53.9	99.2	127.7	-57.8	-24.2	0	0	0	123.2
215	A	27.4	Very low	34.2	Very low	101 Å²	101	140.2 Å²	140.2	84%	0.835	78%	0.782	S	S	*	*				158	151.1	118.8	0	0	0	0	0	111.9
216	P	41.4	Very low	33.7	Very low	131 Å²	131	145.3 Å²	145.3	85%	0.851	81%	0.811	S	S	*	*			trans	-104.7	132.2	-156.7	36	-27.5	0	0	0	115
217	A	26.6	Very low	33.9	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	81%	0.805	S	S	*	*			trans	175.8	164.9	147.1	0	0	0	0	0	110.5
218	P	32.2	Very low	35.7	Very low	121 Å²	121	143.6 Å²	143.6	79%	0.786	80%	0.799	S	S	*	*				-118.1	164.1	-53.4	32.7	-17.5	0	0	0	111.1	R220	P218-R220 PolarHBondContact O-N 3.26Å
219	K	39.9	Very low	38.2	Very low	213 Å²	213	136.8 Å²	136.8	93%	0.926	77%	0.771	S	S	*	*			trans	-44.4	121.3	-176.7	-65	175.9	177.7	179.3	0	114
220	R	30	Very low	41.2	Very low	235 Å²	235	127.7 Å²	127.7	89%	0.887	73%	0.733	S	S	*	*			trans	-127.6	146.7	152.9	-82.9	-173.1	-178.4	-177.9	1.8	108.9	P218 C222	P218-R220 PolarHBondContact O-N 3.26Å; R220-C222 PolarHBondContact O-N 3.05Å
221	P	26.3	Very low	44.3	Very low	123 Å²	123	121.1 Å²	121.1	80%	0.799	69%	0.693	S	S	*	*			trans	-71.4	131.6	-148.8	23.4	-24.3	0	0	0	111.3	V223	P221-V223 PolarHBondContact O-N 3.13Å
222	C	24.1	Very low	47.4	Very low	119 Å²	119	114.9 Å²	114.9	80%	0.804	67%	0.665	S	S	*	*			trans	-55.6	115.6	176.3	-54.2	0	0	0	0	109.7	R220 E224	R220-C222 PolarHBondContact O-N 3.05Å; C222-E224 PolarHBondContact O-N 3.37Å
223	V	30.7	Very low	50.6	Low	144 Å²	144	114.8 Å²	114.8	87%	0.873	65%	0.648	S	S	*	*			trans	-77.3	112.3	148.8	179.2	0	0	0	0	104.4	P221	P221-V223 PolarHBondContact O-N 3.13Å
224	E	26.7	Very low	53.9	Low	149 Å²	149	110.3 Å²	110.3	70%	0.696	61%	0.614	S	S	*	*			trans	-54.7	140.6	-174.2	-67.5	-170.7	158.4	0	0	111.6	C222	C222-E224 PolarHBondContact O-N 3.37Å
225	P	35.1	Very low	56.9	Low	113 Å²	113	102.7 Å²	102.7	73%	0.734	57%	0.574	S	S	*	*			trans	-60.5	141.4	168.6	26.5	-31	0	0	0	108.7	R227	P225-R227 VanDerWaalsContact C-N 3.32Å; P225-R227 PolarHBondContact O-N 2.97Å
226	N	43.1	Very low	60.3	Low	152 Å²	152	104 Å²	104	81%	0.813	56%	0.563	S	S	*	*			trans	-45.6	95.6	171.3	-96.2	-0.3	0	0	0	109.9	I228	N226-I228 PolarHBondContact O-N 3.23Å
227	R	57.5	Low	62.9	Low	184 Å²	184	99.4 Å²	99.4	69%	0.694	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-73.5	116.3	178.5	-175.2	174.5	175.2	-178.5	-5.4	106.5	P225 L229	P225-R227 VanDerWaalsContact C-N 3.32Å; P225-R227 PolarHBondContact O-N 2.97Å; R227-L229 PolarHBondContact O-N 2.64Å; R227-L229 VanDerWaalsContact O-N 3.13Å
228	I	82	Confident	66.2	Low	85 Å²	85	101 Å²	101	44%	0.436	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-63.2	116.1	168.8	-65.1	177.3	0	0	0	105.9	N226 R481	N226-I228 PolarHBondContact O-N 3.23Å; I228-R481 HydrophobicContact CD1-CG 3.86Å
229	L	91.5	Very high	69.2	Low	55 Å²	55	103.3 Å²	103.3	29%	0.288	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.5	-180	-64.6	179.4	0	0	0	109.9	R227 D233 R234 L237 P414	R227-L229 PolarHBondContact O-N 2.64Å; R227-L229 VanDerWaalsContact O-N 3.13Å; L229-D233 HydrophobicContact CB-CB 4.02Å; L229-D233 HydrophobicContact CD2-CB 4.08Å; L229-R234 HydrophobicContact CB-CG 3.68Å; L229-R234 HydrophobicContact CD1-CG 4.28Å; L229-L237 HydrophobicContact CD1-CD1 4.27Å; L229-L237 HydrophobicContact CD1-CD2 4Å; L229-L237 HydrophobicContact CD1-CG 4.45Å; L229-P414 HydrophobicContact CD1-CB 4.2Å; L229-P414 HydrophobicContact CD1-CG 4.25Å
230	S	95.4	Very high	71.9	Confident	10 Å²	10	94.5 Å²	94.5	7%	0.07	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-64.6	165.2	170.3	63.8	0	0	0	0	110.9	A232 D233 R234 Y478	S230-A232 PolarHBondContact O-N 3.48Å; S230-D233 PolarHBondContact N-OD2 3.21Å; S230-D233 PolarHBondContact O-N 3.03Å; S230-D233 WeakPolarHBondContact OG-CB 3.28Å; S230-D233 PolarHBondContact OG-N 3.47Å; S230-D233 PolarHBondContact OG-OD2 2.78Å; S230-R234 WeakPolarHBondContact O-CB 3.47Å; S230-R234 VanDerWaalsContact O-CG 3.3Å; S230-R234 WeakPolarHBondContact O-CG 3.28Å; S230-R234 PolarHBondContact O-N 3.12Å; S230-Y478 WeakPolarHBondContact CA-OH 3.11Å; S230-Y478 WeakPolarHBondContact CB-OH 3.32Å
231	Y	97.4	Very high	75.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-61.6	-39.1	172.3	-58.8	-54.4	0	0	0	110.4	R234 A235 L248 M251 E252 N257 D449 W475 Y478	Y231-R234 PolarHBondContact O-N 2.9Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3.35Å; Y231-L248 HydrophobicContact CD1-CD2 3.45Å; Y231-L248 VanDerWaalsContact CD1-CD2 3.45Å; Y231-L248 HydrophobicContact CE1-CD2 4.37Å; Y231-L248 HydrophobicContact CG-CD2 3.99Å; Y231-M251 HydrophobicContact CD1-CE 3.78Å; Y231-M251 HydrophobicContact CD2-CB 4.22Å; Y231-M251 HydrophobicContact CD2-CE 3.95Å; Y231-M251 HydrophobicContact CE1-CE 3.39Å; Y231-M251 HydrophobicContact CE2-CE 3.6Å; Y231-M251 HydrophobicContact CG-CE 4.03Å; Y231-E252 WeakPolarHBondContact CB-OE2 3.48Å; Y231-E252 PolarHBondContact N-OE2 2.71Å; Y231-N257 HydrophobicContact CE2-CB 4.39Å; Y231-N257 PolarHBondContact OH-ND2 2.94Å; Y231-D449 HydrophobicContact CE1-CB 4.14Å; Y231-D449 PolarHBondContact OH-O 3.39Å; Y231-W475 AromaticContact CD2-CH2 3.84Å; Y231-W475 HydrophobicContact CD2-CH2 3.84Å; Y231-W475 AromaticContact CD2-CZ3 3.58Å; Y231-W475 HydrophobicContact CD2-CZ3 3.58Å; Y231-W475 HydrophobicContact CE2-CE3 4.24Å; Y231-W475 HydrophobicContact CE2-CH2 4.16Å; Y231-W475 AromaticContact CE2-CZ3 3.5Å; Y231-W475 HydrophobicContact CE2-CZ3 3.5Å; Y231-Y478 HydrophobicContact CD1-CE2 4.2Å; Y231-Y478 HydrophobicContact CD2-CD1 4.13Å; Y231-Y478 HydrophobicContact CD2-CD2 4.11Å; Y231-Y478 AromaticContact CD2-CE1 3.68Å; Y231-Y478 HydrophobicContact CD2-CE1 3.68Å; Y231-Y478 AromaticContact CD2-CE2 3.65Å; Y231-Y478 HydrophobicContact CD2-CE2 3.65Å; Y231-Y478 HydrophobicContact CD2-CG 4.32Å; Y231-Y478 AromaticContact CD2-CZ 3.4Å; Y231-Y478 HydrophobicContact CE1-CD2 4.14Å; Y231-Y478 HydrophobicContact CE1-CE2 4.04Å; Y231-Y478 AromaticContact CE2-CD1 3.62Å; Y231-Y478 HydrophobicContact CE2-CD1 3.62Å; Y231-Y478 AromaticContact CE2-CD2 3.39Å; Y231-Y478 HydrophobicContact CE2-CD2 3.39Å; Y231-Y478 AromaticContact CE2-CE1 3.66Å; Y231-Y478 HydrophobicContact CE2-CE1 3.66Å; Y231-Y478 AromaticContact CE2-CE2 3.43Å; Y231-Y478 HydrophobicContact CE2-CE2 3.43Å; Y231-Y478 VanDerWaalsContact CE2-CE2 3.43Å; Y231-Y478 AromaticContact CE2-CG 3.47Å; Y231-Y478 HydrophobicContact CE2-CG 3.47Å; Y231-Y478 VanDerWaalsContact CE2-CG 3.47Å; Y231-Y478 AromaticContact CE2-CZ 3.55Å; Y231-Y478 HydrophobicContact CG-CE2 4.04Å; Y231-Y478 AromaticContact CG-CZ 3.97Å; Y231-Y478 AromaticContact CZ-CD2 3.42Å; Y231-Y478 VanDerWaalsContact CZ-CD2 3.42Å; Y231-Y478 AromaticContact CZ-CE2 3.66Å; Y231-Y478 AromaticContact CZ-CG 3.85Å; Y231-Y478 PolarHBondContact N-OH 3.06Å
232	A	96	Very high	78.6	Confident	39 Å²	39	83.1 Å²	83.1	32%	0.322	45%	0.448	S	S	.	.	H	α-helix	trans	-55.6	-50.1	171	0	0	0	0	0	113.1	S230 R234 A235 E252	S230-A232 PolarHBondContact O-N 3.48Å; A232-R234 VanDerWaalsContact C-N 3.33Å; A232-R234 PolarHBondContact O-N 3.48Å; A232-A235 WeakPolarHBondContact O-CB 3.36Å; A232-A235 PolarHBondContact O-N 3.44Å; A232-E252 HydrophobicContact CB-CG 4.03Å; A232-E252 PolarHBondContact N-OE2 2.83Å
233	D	96.4	Very high	82.2	Confident	69 Å²	69	78.2 Å²	78.2	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-38.4	179.9	-63.6	-44.3	0	0	0	111.6	L229 S230 A235 E236	L229-D233 HydrophobicContact CB-CB 4.02Å; L229-D233 HydrophobicContact CD2-CB 4.08Å; S230-D233 PolarHBondContact N-OD2 3.21Å; S230-D233 PolarHBondContact O-N 3.03Å; S230-D233 WeakPolarHBondContact OG-CB 3.28Å; S230-D233 PolarHBondContact OG-N 3.47Å; S230-D233 PolarHBondContact OG-OD2 2.78Å; D233-A235 VanDerWaalsContact C-N 3.3Å; D233-A235 PolarHBondContact O-N 3.48Å; D233-E236 PolarHBondContact O-N 2.84Å
234	R	97.6	Very high	85.4	Confident	15 Å²	15	71.4 Å²	71.4	6%	0.057	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-35	175.7	-72.6	170.6	62.8	-168.1	5.4	112.2	L229 S230 Y231 A232 E236 L237 L248 P414 F416 D449	L229-R234 HydrophobicContact CB-CG 3.68Å; L229-R234 HydrophobicContact CD1-CG 4.28Å; S230-R234 WeakPolarHBondContact O-CB 3.47Å; S230-R234 VanDerWaalsContact O-CG 3.3Å; S230-R234 WeakPolarHBondContact O-CG 3.28Å; S230-R234 PolarHBondContact O-N 3.12Å; Y231-R234 PolarHBondContact O-N 2.9Å; A232-R234 VanDerWaalsContact C-N 3.33Å; A232-R234 PolarHBondContact O-N 3.48Å; R234-E236 PolarHBondContact O-N 3.24Å; R234-L237 HydrophobicContact CB-CD1 4.22Å; R234-L237 HydrophobicContact CG-CD1 4.28Å; R234-L237 WeakPolarHBondContact O-CB 3.47Å; R234-L237 WeakPolarHBondContact O-CG 3.5Å; R234-L237 PolarHBondContact O-N 2.89Å; R234-L248 HydrophobicContact CB-CD1 3.72Å; R234-L248 HydrophobicContact CB-CD2 4.41Å; R234-P414 HydrophobicContact CG-CB 4.32Å; R234-P414 PolarHBondContact NE-O 3.06Å; R234-P414 PolarHBondContact NH2-O 3.44Å; R234-F416 PolarHBondContact NH2-O 3.17Å; R234-D449 IonicContact CZ-OD1 3.36Å; R234-D449 IonicContact CZ-OD2 2.9Å; R234-D449 IonicContact NH1-OD1 3.99Å; R234-D449 PolarHBondContact NH1-OD1 2.8Å; R234-D449 IonicContact NH1-OD2 2.95Å; R234-D449 PolarHBondContact NH1-OD2 3.12Å; R234-D449 IonicContact NH2-OD1 3.01Å; R234-D449 IonicContact NH2-OD2 3.79Å; R234-D449 PolarHBondContact NH2-OD2 2.98Å
235	A	97.9	Very high	88.8	Confident	2 Å²	2	65 Å²	65	2%	0.017	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-19.7	-179.9	0	0	0	0	0	113	Y231 A232 D233 S245 L248 K249	Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3.35Å; A232-A235 WeakPolarHBondContact O-CB 3.36Å; A232-A235 PolarHBondContact O-N 3.44Å; D233-A235 VanDerWaalsContact C-N 3.3Å; D233-A235 PolarHBondContact O-N 3.48Å; A235-S245 WeakPolarHBondContact O-CB 3.38Å; A235-S245 PolarHBondContact O-OG 3.05Å; A235-L248 HydrophobicContact CB-CB 3.76Å; A235-L248 HydrophobicContact CB-CD1 4.39Å; A235-K249 HydrophobicContact CB-CG 3.86Å
236	E	97.9	Very high	91.9	Very high	130 Å²	130	62.7 Å²	62.7	61%	0.607	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	8.1	-179.6	-60.4	-58.3	141.2	0	0	112.9	D233 R234 K249	D233-E236 PolarHBondContact O-N 2.84Å; R234-E236 PolarHBondContact O-N 3.24Å; E236-K249 WeakPolarHBondContact OE1-CE 3.22Å; E236-K249 IonicContact OE1-NZ 3.71Å; E236-K249 PolarHBondContact OE1-NZ 3.49Å
237	L	97.1	Very high	94.5	Very high	33 Å²	33	55.4 Å²	55.4	17%	0.173	29%	0.289	C	S	.	.			trans	-63.7	138.6	178.3	-75.4	168.4	0	0	0	111.5	L229 R234 K239 I240 P414 E415	L229-L237 HydrophobicContact CD1-CD1 4.27Å; L229-L237 HydrophobicContact CD1-CD2 4Å; L229-L237 HydrophobicContact CD1-CG 4.45Å; R234-L237 HydrophobicContact CB-CD1 4.22Å; R234-L237 HydrophobicContact CG-CD1 4.28Å; R234-L237 WeakPolarHBondContact O-CB 3.47Å; R234-L237 WeakPolarHBondContact O-CG 3.5Å; R234-L237 PolarHBondContact O-N 2.89Å; L237-K239 PolarHBondContact O-N 3.07Å; L237-I240 HydrophobicContact CB-CB 4.18Å; L237-I240 WeakPolarHBondContact O-CB 3.46Å; L237-I240 WeakPolarHBondContact O-CG2 3.37Å; L237-I240 PolarHBondContact O-N 3.45Å; L237-P414 HydrophobicContact CD1-CB 3.84Å; L237-P414 HydrophobicContact CD1-CG 3.63Å; L237-E415 HydrophobicContact CB-CG 4.4Å; L237-E415 HydrophobicContact CD1-CG 4.09Å
238	P	95.4	Very high	96.5	Very high	130 Å²	130	46.7 Å²	46.7	84%	0.844	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	-175.8	-27	34.3	0	0	0	115.6
239	K	94.3	Very high	97.3	Very high	170 Å²	170	47.1 Å²	47.1	74%	0.739	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	9.1	-177.5	-65.9	-175.8	179.8	179.5	0	113.4	L237 E415	L237-K239 PolarHBondContact O-N 3.07Å; K239-E415 HydrophobicContact CB-CG 4.12Å
240	I	97.9	Very high	97.6	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.138	24%	0.242	C	C	.	.			trans	-64.7	137.2	178.9	-163.6	64.3	0	0	0	110.1	L237 A244 L248 E415	L237-I240 HydrophobicContact CB-CB 4.18Å; L237-I240 WeakPolarHBondContact O-CB 3.46Å; L237-I240 WeakPolarHBondContact O-CG2 3.37Å; L237-I240 PolarHBondContact O-N 3.45Å; I240-A244 HydrophobicContact CD1-CB 3.91Å; I240-A244 HydrophobicContact CG1-CB 4.13Å; I240-L248 HydrophobicContact CD1-CD1 3.93Å; I240-L248 HydrophobicContact CG1-CD1 4.39Å; I240-E415 HydrophobicContact CD1-CB 4.17Å; I240-E415 WeakPolarHBondContact CD1-O 3.46Å
241	H	98.6	Very high	97.8	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.106	24%	0.239	C	C	.	.			trans	-66.5	137.7	170.8	-176	-83	0	0	0	109.5	L243 A244 S245 I402	H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 WeakPolarHBondContact ND1-CB 3.42Å; H241-L243 PolarHBondContact ND1-N 2.68Å; H241-L243 VanDerWaalsContact ND1-N 3.1Å; H241-L243 PolarHBondContact O-N 3.39Å; H241-A244 HydrophobicContact CB-CB 4.05Å; H241-A244 WeakPolarHBondContact O-CA 3.4Å; H241-A244 WeakPolarHBondContact O-CB 3.23Å; H241-A244 PolarHBondContact O-N 3.23Å; H241-S245 PolarHBondContact O-N 3.35Å; H241-I402 HydrophobicContact CB-CG2 3.76Å; H241-I402 VanDerWaalsContact CG-CG2 3.46Å; H241-I402 WeakPolarHBondContact ND1-CG2 3.44Å
242	P	98.4	Very high	97.8	Very high	97 Å²	97	46.6 Å²	46.6	63%	0.63	25%	0.25	S	C	*	.	H	α-helix	trans	-53	-45.2	-176.8	-29.5	35.6	0	0	0	113.6	A244 S245 T246	P242-A244 VanDerWaalsContact C-N 3.33Å; P242-A244 PolarHBondContact O-N 2.9Å; P242-S245 WeakPolarHBondContact O-CB 3.17Å; P242-S245 PolarHBondContact O-N 3.29Å; P242-T246 PolarHBondContact O-N 3.33Å; P242-T246 PolarHBondContact O-OG1 3.11Å
243	L	98.5	Very high	97.9	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-33	176.6	-168	67.7	0	0	0	113.5	H241 T246 L247 L312 H342 I343 G368	H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 WeakPolarHBondContact ND1-CB 3.42Å; H241-L243 PolarHBondContact ND1-N 2.68Å; H241-L243 VanDerWaalsContact ND1-N 3.1Å; H241-L243 PolarHBondContact O-N 3.39Å; L243-T246 PolarHBondContact O-N 3.48Å; L243-L247 PolarHBondContact O-N 3.33Å; L243-L312 HydrophobicContact CD1-CD1 3.91Å; L243-L312 HydrophobicContact CD1-CD2 4.29Å; L243-L312 HydrophobicContact CG-CD1 4.09Å; L243-H342 HydrophobicContact CD1-CB 4.29Å; L243-H342 HydrophobicContact CD2-CB 4.28Å; L243-H342 WeakPolarHBondContact CD2-O 3.14Å; L243-I343 HydrophobicContact CD2-CG1 3.71Å; L243-G368 VanDerWaalsContact CD2-N 3.32Å
244	A	98.7	Very high	98	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-40	175.3	0	0	0	0	0	110.7	I240 H241 P242 L247 L248 I402 L417	I240-A244 HydrophobicContact CD1-CB 3.91Å; I240-A244 HydrophobicContact CG1-CB 4.13Å; H241-A244 HydrophobicContact CB-CB 4.05Å; H241-A244 WeakPolarHBondContact O-CA 3.4Å; H241-A244 WeakPolarHBondContact O-CB 3.23Å; H241-A244 PolarHBondContact O-N 3.23Å; P242-A244 VanDerWaalsContact C-N 3.33Å; P242-A244 PolarHBondContact O-N 2.9Å; A244-L247 PolarHBondContact O-N 3.01Å; A244-L248 WeakPolarHBondContact O-CB 3.41Å; A244-L248 WeakPolarHBondContact O-CD1 3.46Å; A244-L248 VanDerWaalsContact O-CG 3.24Å; A244-L248 WeakPolarHBondContact O-CG 3.4Å; A244-L248 PolarHBondContact O-N 2.72Å; A244-I402 HydrophobicContact CB-CB 4.21Å; A244-I402 HydrophobicContact CB-CG2 4.44Å; A244-L417 HydrophobicContact CB-CD1 3.84Å
245	S	98.7	Very high	98	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-46.8	171.3	179.9	0	0	0	0	111.3	A235 H241 P242 L247 L248 K249	A235-S245 WeakPolarHBondContact O-CB 3.38Å; A235-S245 PolarHBondContact O-OG 3.05Å; H241-S245 PolarHBondContact O-N 3.35Å; P242-S245 WeakPolarHBondContact O-CB 3.17Å; P242-S245 PolarHBondContact O-N 3.29Å; S245-L247 PolarHBondContact O-N 3.47Å; S245-L248 PolarHBondContact O-N 2.98Å; S245-K249 WeakPolarHBondContact O-CG 3.38Å; S245-K249 PolarHBondContact O-N 3.01Å; S245-K249 WeakPolarHBondContact OG-CE 3.39Å
246	T	98.8	Very high	98	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-56.7	-48.4	174.8	-58.6	0	0	0	0	111.7	P242 L243 L248 K249 I250 L312	P242-T246 PolarHBondContact O-N 3.33Å; P242-T246 PolarHBondContact O-OG1 3.11Å; L243-T246 PolarHBondContact O-N 3.48Å; T246-L248 PolarHBondContact O-N 3.24Å; T246-K249 PolarHBondContact O-N 3.37Å; T246-I250 HydrophobicContact CG2-CD1 3.99Å; T246-I250 VanDerWaalsContact O-CG1 3.31Å; T246-I250 WeakPolarHBondContact O-CG1 3.37Å; T246-I250 PolarHBondContact O-N 2.96Å; T246-L312 HydrophobicContact CG2-CD2 4.35Å
247	L	98.9	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-45.8	178.9	-178.3	60.7	0	0	0	112	L243 A244 S245 K249 I250 M251 C282 M283 L312 L417 M419	L243-L247 PolarHBondContact O-N 3.33Å; A244-L247 PolarHBondContact O-N 3.01Å; S245-L247 PolarHBondContact O-N 3.47Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.21Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 2.91Å; L247-M251 HydrophobicContact CD1-CG 4.33Å; L247-M251 HydrophobicContact CD1-SD 4.4Å; L247-M251 HydrophobicContact CD2-SD 4.36Å; L247-M251 HydrophobicContact CG-CG 4.33Å; L247-M251 HydrophobicContact CG-SD 3.85Å; L247-M251 WeakPolarHBondContact O-CG 3.43Å; L247-M251 PolarHBondContact O-N 3.43Å; L247-C282 HydrophobicContact CD1-CB 4.02Å; L247-M283 HydrophobicContact CD1-CE 3.79Å; L247-M283 HydrophobicContact CD2-CE 3.38Å; L247-M283 HydrophobicContact CG-CE 4.24Å; L247-L312 HydrophobicContact CB-CD1 3.73Å; L247-L312 HydrophobicContact CD1-CD1 4Å; L247-L312 HydrophobicContact CD1-CG 4.19Å; L247-L312 HydrophobicContact CG-CD1 4.32Å; L247-L417 HydrophobicContact CD2-CD1 3.76Å; L247-L417 HydrophobicContact CD2-CD2 4.44Å; L247-M419 HydrophobicContact CD2-CE 3.63Å
248	L	98.8	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-37.6	179.9	-71.8	165.2	0	0	0	111.9	Y231 R234 A235 I240 A244 S245 T246 M251 E252 L417	Y231-L248 HydrophobicContact CD1-CD2 3.45Å; Y231-L248 VanDerWaalsContact CD1-CD2 3.45Å; Y231-L248 HydrophobicContact CE1-CD2 4.37Å; Y231-L248 HydrophobicContact CG-CD2 3.99Å; R234-L248 HydrophobicContact CB-CD1 3.72Å; R234-L248 HydrophobicContact CB-CD2 4.41Å; A235-L248 HydrophobicContact CB-CB 3.76Å; A235-L248 HydrophobicContact CB-CD1 4.39Å; I240-L248 HydrophobicContact CD1-CD1 3.93Å; I240-L248 HydrophobicContact CG1-CD1 4.39Å; A244-L248 WeakPolarHBondContact O-CB 3.41Å; A244-L248 WeakPolarHBondContact O-CD1 3.46Å; A244-L248 VanDerWaalsContact O-CG 3.24Å; A244-L248 WeakPolarHBondContact O-CG 3.4Å; A244-L248 PolarHBondContact O-N 2.72Å; S245-L248 PolarHBondContact O-N 2.98Å; T246-L248 PolarHBondContact O-N 3.24Å; L248-M251 HydrophobicContact CD2-SD 4.31Å; L248-M251 PolarHBondContact O-N 3.08Å; L248-E252 PolarHBondContact O-N 2.84Å; L248-L417 HydrophobicContact CD2-CD2 3.81Å; L248-L417 HydrophobicContact CG-CD2 4.11Å
249	K	98.8	Very high	98.3	Very high	94 Å²	94	39.6 Å²	39.6	41%	0.409	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-45.5	173.8	-72.4	173.5	-177.6	-174.5	0	111.8	A235 E236 S245 T246 L247 M251 E252 E253	A235-K249 HydrophobicContact CB-CG 3.86Å; E236-K249 WeakPolarHBondContact OE1-CE 3.22Å; E236-K249 IonicContact OE1-NZ 3.71Å; E236-K249 PolarHBondContact OE1-NZ 3.49Å; S245-K249 WeakPolarHBondContact O-CG 3.38Å; S245-K249 PolarHBondContact O-N 3.01Å; S245-K249 WeakPolarHBondContact OG-CE 3.39Å; T246-K249 PolarHBondContact O-N 3.37Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.21Å; K249-M251 VanDerWaalsContact C-N 3.29Å; K249-M251 PolarHBondContact O-N 3.43Å; K249-E252 PolarHBondContact O-N 3.37Å; K249-E253 WeakPolarHBondContact O-CB 3.35Å; K249-E253 PolarHBondContact O-N 2.83Å
250	I	98.8	Very high	98.5	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-45	174	-68.9	169.8	0	0	0	110.6	T246 L247 E252 K254 C282 N310 L312	T246-I250 HydrophobicContact CG2-CD1 3.99Å; T246-I250 VanDerWaalsContact O-CG1 3.31Å; T246-I250 WeakPolarHBondContact O-CG1 3.37Å; T246-I250 PolarHBondContact O-N 2.96Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 2.91Å; I250-E252 PolarHBondContact O-N 2.8Å; I250-K254 HydrophobicContact CG2-CD 3.74Å; I250-K254 WeakPolarHBondContact O-CB 3.46Å; I250-K254 WeakPolarHBondContact O-CG 3.48Å; I250-K254 PolarHBondContact O-N 3.35Å; I250-C282 HydrophobicContact CG2-CB 4.08Å; I250-N310 WeakPolarHBondContact CG1-OD1 3.43Å; I250-N310 WeakPolarHBondContact CG2-O 3.16Å; I250-L312 HydrophobicContact CD1-CD2 4.01Å; I250-L312 HydrophobicContact CD1-CG 4.06Å
251	M	98.8	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-43.5	-178.9	-69.5	165.4	64.9	0	0	111.8	Y231 L247 L248 K249 E255 S256 N257 C282 V450 W475	Y231-M251 HydrophobicContact CD1-CE 3.78Å; Y231-M251 HydrophobicContact CD2-CB 4.22Å; Y231-M251 HydrophobicContact CD2-CE 3.95Å; Y231-M251 HydrophobicContact CE1-CE 3.39Å; Y231-M251 HydrophobicContact CE2-CE 3.6Å; Y231-M251 HydrophobicContact CG-CE 4.03Å; L247-M251 HydrophobicContact CD1-CG 4.33Å; L247-M251 HydrophobicContact CD1-SD 4.4Å; L247-M251 HydrophobicContact CD2-SD 4.36Å; L247-M251 HydrophobicContact CG-CG 4.33Å; L247-M251 HydrophobicContact CG-SD 3.85Å; L247-M251 WeakPolarHBondContact O-CG 3.43Å; L247-M251 PolarHBondContact O-N 3.43Å; L248-M251 HydrophobicContact CD2-SD 4.31Å; L248-M251 PolarHBondContact O-N 3.08Å; K249-M251 VanDerWaalsContact C-N 3.29Å; K249-M251 PolarHBondContact O-N 3.43Å; M251-E255 CarbonylContact O-C 3.42Å; M251-E255 VanDerWaalsContact O-CA 3.31Å; M251-E255 WeakPolarHBondContact O-CA 3.41Å; M251-E255 PolarHBondContact O-N 3.16Å; M251-E255 VanDerWaalsContact O-N 3.08Å; M251-S256 WeakPolarHBondContact CA-O 3.35Å; M251-S256 WeakPolarHBondContact CB-O 3.38Å; M251-S256 VanDerWaalsContact CG-O 3.27Å; M251-S256 WeakPolarHBondContact CG-O 3.3Å; M251-S256 PolarHBondContact O-N 3.5Å; M251-N257 HydrophobicContact CE-CB 3.72Å; M251-C282 HydrophobicContact CG-CB 3.59Å; M251-V450 HydrophobicContact CE-CG2 3.82Å; M251-V450 HydrophobicContact SD-CG2 4.02Å; M251-W475 VanDerWaalsContact O-CZ3 3.31Å; M251-W475 WeakPolarHBondContact O-CZ3 3.28Å
252	E	97.7	Very high	98.5	Very high	49 Å²	49	29.5 Å²	29.5	23%	0.229	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-48.3	177.7	-162.1	84.9	-166.7	0	0	111.9	Y231 A232 L248 K249 I250 K254 E255 Y478	Y231-E252 WeakPolarHBondContact CB-OE2 3.48Å; Y231-E252 PolarHBondContact N-OE2 2.71Å; A232-E252 HydrophobicContact CB-CG 4.03Å; A232-E252 PolarHBondContact N-OE2 2.83Å; L248-E252 PolarHBondContact O-N 2.84Å; K249-E252 PolarHBondContact O-N 3.37Å; I250-E252 PolarHBondContact O-N 2.8Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 2.88Å; E252-E255 PolarHBondContact O-N 3.1Å; E252-Y478 PolarHBondContact OE2-OH 3.02Å
253	E	97.8	Very high	98.5	Very high	141 Å²	141	28.1 Å²	28.1	66%	0.659	14%	0.139	S	C	*	.	H	α-helix	trans	-58.9	-41.2	-178.9	-176.6	-173.3	163.5	0	0	112.3	K249 N310	K249-E253 WeakPolarHBondContact O-CB 3.35Å; K249-E253 PolarHBondContact O-N 2.83Å; E253-N310 PolarHBondContact OE2-ND2 2.92Å; E253-N310 VanDerWaalsContact OE2-ND2 3.09Å
254	K	98.1	Very high	98.5	Very high	32 Å²	32	27.9 Å²	27.9	14%	0.139	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.4	-176.3	-60.1	177.7	70.7	176.9	0	113.3	I250 E252 S256 G278 P279 I281 H309 N310	I250-K254 HydrophobicContact CG2-CD 3.74Å; I250-K254 WeakPolarHBondContact O-CB 3.46Å; I250-K254 WeakPolarHBondContact O-CG 3.48Å; I250-K254 PolarHBondContact O-N 3.35Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 2.88Å; K254-S256 PolarHBondContact O-N 2.91Å; K254-G278 PolarHBondContact NZ-O 2.96Å; K254-P279 WeakPolarHBondContact CE-O 3.33Å; K254-I281 WeakPolarHBondContact CE-O 3.33Å; K254-I281 PolarHBondContact NZ-O 3.35Å; K254-H309 PolarHBondContact NZ-O 3.42Å; K254-N310 WeakPolarHBondContact CD-O 3.38Å; K254-N310 PolarHBondContact NZ-O 3.09Å
255	E	98.4	Very high	98.4	Very high	98 Å²	98	30.8 Å²	30.8	46%	0.458	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	47.3	-170.4	-64.4	-168.7	155.4	0	0	111.6	M251 E252 R471 W475	M251-E255 CarbonylContact O-C 3.42Å; M251-E255 VanDerWaalsContact O-CA 3.31Å; M251-E255 WeakPolarHBondContact O-CA 3.41Å; M251-E255 PolarHBondContact O-N 3.16Å; M251-E255 VanDerWaalsContact O-N 3.08Å; E252-E255 PolarHBondContact O-N 3.1Å; E255-R471 PolarHBondContact O-NH1 3.25Å; E255-W475 VanDerWaalsContact C-CD2 3.49Å; E255-W475 VanDerWaalsContact C-CE3 3.4Å; E255-W475 HydrophobicContact CB-CD2 3.85Å; E255-W475 HydrophobicContact CB-CG 4.05Å; E255-W475 HydrophobicContact CB-CZ2 4.01Å; E255-W475 HydrophobicContact CG-CZ2 3.9Å
256	S	98.6	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.			trans	-136.2	119.2	-172.8	-176.5	0	0	0	0	110.7	M251 K254 L258 K280 C282	M251-S256 WeakPolarHBondContact CA-O 3.35Å; M251-S256 WeakPolarHBondContact CB-O 3.38Å; M251-S256 VanDerWaalsContact CG-O 3.27Å; M251-S256 WeakPolarHBondContact CG-O 3.3Å; M251-S256 PolarHBondContact O-N 3.5Å; K254-S256 PolarHBondContact O-N 2.91Å; S256-L258 PolarHBondContact OG-N 3.41Å; S256-K280 WeakPolarHBondContact CB-O 3.5Å; S256-K280 PolarHBondContact OG-O 3.33Å; S256-C282 WeakPolarHBondContact O-CB 3.47Å; S256-C282 PolarHBondContact OG-N 2.76Å
257	N	98.6	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.			trans	-110.9	28.8	165.9	61	-7.2	0	0	0	111.5	Y231 M251 D449 V450 I451 G474 W475	Y231-N257 HydrophobicContact CE2-CB 4.39Å; Y231-N257 PolarHBondContact OH-ND2 2.94Å; M251-N257 HydrophobicContact CE-CB 3.72Å; N257-D449 VanDerWaalsContact CB-O 3.27Å; N257-D449 WeakPolarHBondContact CB-O 3.46Å; N257-D449 PolarHBondContact ND2-O 3.34Å; N257-V450 WeakPolarHBondContact O-CA 3.37Å; N257-V450 WeakPolarHBondContact O-CG1 3.47Å; N257-I451 PolarHBondContact O-N 3.46Å; N257-G474 VanDerWaalsContact ND2-C 3.34Å; N257-G474 PolarHBondContact ND2-O 3.46Å; N257-G474 VanDerWaalsContact OD1-CA 3.31Å; N257-G474 WeakPolarHBondContact OD1-CA 3.23Å; N257-G474 PolarHBondContact OD1-O 3.38Å; N257-W475 PolarHBondContact OD1-N 3.42Å
258	L	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.8	179	174.2	61.3	0	0	0	110.9	S256 V260 I281 C282 I451 V453 I457 A467 R471	S256-L258 PolarHBondContact OG-N 3.41Å; L258-V260 HydrophobicContact CD1-CG2 4.48Å; L258-V260 HydrophobicContact CD2-CG2 4.24Å; L258-V260 HydrophobicContact CG-CG2 4.21Å; L258-I281 HydrophobicContact CD2-CG2 4.08Å; L258-I281 HydrophobicContact CG-CG2 4.16Å; L258-I281 WeakPolarHBondContact O-CA 3.31Å; L258-I281 WeakPolarHBondContact O-CB 3.38Å; L258-C282 PolarHBondContact O-N 2.91Å; L258-C282 PolarHBondContact O-SG 3.36Å; L258-I451 HydrophobicContact CD1-CD1 4.05Å; L258-I451 HydrophobicContact CD1-CG1 3.89Å; L258-V453 HydrophobicContact CD1-CB 4.07Å; L258-V453 HydrophobicContact CD1-CG2 3.71Å; L258-I457 HydrophobicContact CD1-CD1 4.27Å; L258-I457 HydrophobicContact CD2-CD1 4.2Å; L258-A467 HydrophobicContact CD2-CB 4.24Å; L258-A467 VanDerWaalsContact CD2-O 3.25Å; L258-A467 WeakPolarHBondContact CD2-O 3.41Å; L258-R471 HydrophobicContact CB-CB 4.47Å; L258-R471 HydrophobicContact CD2-CB 4.21Å
259	C	98.9	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	162.8	177.7	0	0	0	0	110.4	M283 V450 I451 I452 V453	C259-M283 VanDerWaalsContact CA-O 3.22Å; C259-M283 WeakPolarHBondContact CA-O 3.41Å; C259-M283 HydrophobicContact CB-CB 3.97Å; C259-V450 HydrophobicContact CB-CG1 3.59Å; C259-I451 WeakPolarHBondContact CB-O 3.13Å; C259-I451 PolarHBondContact N-O 3.24Å; C259-I452 HydrophobicContact CB-CG1 3.94Å; C259-I452 WeakPolarHBondContact O-CA 3.44Å; C259-V453 PolarHBondContact O-N 3.01Å
260	V	98.8	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.2	175.7	169.9	0	0	0	0	110.4	L258 A262 L277 I281 M283 L284 K285 V453 I457	L258-V260 HydrophobicContact CD1-CG2 4.48Å; L258-V260 HydrophobicContact CD2-CG2 4.24Å; L258-V260 HydrophobicContact CG-CG2 4.21Å; V260-A262 PolarHBondContact O-N 3.01Å; V260-L277 HydrophobicContact CG1-CD1 4.12Å; V260-L277 HydrophobicContact CG2-CD1 4.33Å; V260-I281 HydrophobicContact CB-CG2 4.23Å; V260-I281 HydrophobicContact CG2-CG2 3.46Å; V260-I281 VanDerWaalsContact CG2-CG2 3.46Å; V260-M283 PolarHBondContact N-O 3.22Å; V260-L284 HydrophobicContact CB-CD1 4.15Å; V260-L284 HydrophobicContact CG1-CD1 4.2Å; V260-K285 PolarHBondContact O-N 3.04Å; V260-V453 WeakPolarHBondContact CA-O 3.45Å; V260-I457 HydrophobicContact CG2-CD1 3.69Å
261	S	98.6	Very high	98.4	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	97.8	170.8	-166.9	0	0	0	0	109.5	D263 K285 V453 L458	S261-D263 VanDerWaalsContact C-N 3.28Å; S261-D263 PolarHBondContact O-N 3.02Å; S261-D263 VanDerWaalsContact O-N 3.08Å; S261-D263 VanDerWaalsContact OG-CG 3.23Å; S261-D263 PolarHBondContact OG-OD1 3.39Å; S261-D263 PolarHBondContact OG-OD2 3.43Å; S261-D263 VanDerWaalsContact OG-OD2 3.09Å; S261-K285 VanDerWaalsContact CB-CE 3.45Å; S261-K285 WeakPolarHBondContact OG-CE 3.2Å; S261-K285 PolarHBondContact OG-NZ 2.87Å; S261-V453 PolarHBondContact N-O 3.33Å; S261-L458 WeakPolarHBondContact O-CD1 2.99Å
262	A	98	Very high	98.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	20%	0.199	C	C	.	.			trans	-86	65.5	-176.6	0	0	0	0	0	111.6	V260 V264 L270 L273 L284 K285	V260-A262 PolarHBondContact O-N 3.01Å; A262-V264 PolarHBondContact O-N 2.98Å; A262-L270 HydrophobicContact CB-CD1 4.49Å; A262-L270 HydrophobicContact CB-CG 4.2Å; A262-L273 HydrophobicContact CB-CD1 4.4Å; A262-L284 HydrophobicContact CB-CD1 4.05Å; A262-L284 HydrophobicContact CB-CG 4.39Å; A262-K285 PolarHBondContact N-O 3Å
263	D	97.3	Very high	98.4	Very high	68 Å²	68	38 Å²	38	36%	0.364	19%	0.189	S	C	.	.			trans	-79.5	56.1	-176.4	-53	-14	0	0	0	111.7	S261 K285 H287 I290 L458	S261-D263 VanDerWaalsContact C-N 3.28Å; S261-D263 PolarHBondContact O-N 3.02Å; S261-D263 VanDerWaalsContact O-N 3.08Å; S261-D263 VanDerWaalsContact OG-CG 3.23Å; S261-D263 PolarHBondContact OG-OD1 3.39Å; S261-D263 PolarHBondContact OG-OD2 3.43Å; S261-D263 VanDerWaalsContact OG-OD2 3.09Å; D263-K285 IonicContact OD1-NZ 3.49Å; D263-H287 IonicContact OD1-CD2 2.78Å; D263-H287 PolarHBondContact OD1-CD2 2.97Å; D263-H287 VanDerWaalsContact OD1-CD2 3.32Å; D263-I290 HydrophobicContact CB-CD1 4.24Å; D263-L458 HydrophobicContact CB-CD1 4.33Å
264	V	98.1	Very high	98.4	Very high	11 Å²	11	31.3 Å²	31.3	7%	0.067	16%	0.158	C	C	.	.			trans	-103	162.2	176.8	-61.2	0	0	0	0	110.9	A262 E269 L270 L273 L291 L458	A262-V264 PolarHBondContact O-N 2.98Å; V264-E269 HydrophobicContact CB-CB 4.43Å; V264-E269 HydrophobicContact CB-CG 4.19Å; V264-E269 HydrophobicContact CG1-CG 4Å; V264-E269 HydrophobicContact CG2-CB 4.26Å; V264-E269 HydrophobicContact CG2-CG 4.29Å; V264-L270 HydrophobicContact CG2-CB 3.65Å; V264-L270 HydrophobicContact CG2-CD1 4.35Å; V264-L270 HydrophobicContact CG2-CG 4.21Å; V264-L273 HydrophobicContact CG1-CD1 3.66Å; V264-L273 HydrophobicContact CG2-CD1 4.26Å; V264-L291 WeakPolarHBondContact O-CD2 3.32Å; V264-L458 HydrophobicContact CG1-CD1 4.43Å
265	T	98.3	Very high	98.5	Very high	62 Å²	62	34.6 Å²	34.6	38%	0.38	17%	0.173	S	C	.	.	S	Bend	trans	-106.6	1.5	-173.1	62.3	0	0	0	0	114.5	K292	T265-K292 PolarHBondContact O-N 2.85Å
266	S	98.3	Very high	98.5	Very high	38 Å²	38	32.6 Å²	32.6	27%	0.266	17%	0.17	S	C	.	.			trans	-122.4	132.2	177.8	176.6	0	0	0	0	111.5	K268 E269 L270 D293	S266-K268 PolarHBondContact O-N 3.44Å; S266-K268 PolarHBondContact OG-N 2.83Å; S266-E269 PolarHBondContact O-N 3.24Å; S266-L270 PolarHBondContact O-N 2.88Å; S266-D293 WeakPolarHBondContact CA-OD1 3.39Å
267	S	98.5	Very high	98.5	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-55	-38.1	173.9	-68.3	0	0	0	0	112.1	L270 L271 D293 F298	S267-L270 PolarHBondContact O-N 2.91Å; S267-L271 WeakPolarHBondContact O-CG 3.43Å; S267-L271 PolarHBondContact O-N 3.17Å; S267-D293 PolarHBondContact N-OD1 3.01Å; S267-D293 PolarHBondContact OG-O 3.23Å; S267-D293 PolarHBondContact OG-OD1 3.16Å; S267-F298 VanDerWaalsContact CB-CD2 3.49Å
268	K	98.4	Very high	98.5	Very high	142 Å²	142	32.6 Å²	32.6	62%	0.617	17%	0.17	S	C	*	.	H	α-helix	trans	-64.1	-47.1	177.6	-177.9	-177.1	177.3	-176.8	0	112.1	S266 L270 L271 Q272	S266-K268 PolarHBondContact O-N 3.44Å; S266-K268 PolarHBondContact OG-N 2.83Å; K268-L270 VanDerWaalsContact C-N 3.32Å; K268-L271 PolarHBondContact O-N 2.95Å; K268-Q272 WeakPolarHBondContact O-CG 3.24Å; K268-Q272 PolarHBondContact O-N 3.41Å
269	E	98.4	Very high	98.4	Very high	57 Å²	57	35.6 Å²	35.6	27%	0.266	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-39.6	179.7	-174.6	177.3	-173.2	0	0	111	V264 S266 Q272 L273 R463	V264-E269 HydrophobicContact CB-CB 4.43Å; V264-E269 HydrophobicContact CB-CG 4.19Å; V264-E269 HydrophobicContact CG1-CG 4Å; V264-E269 HydrophobicContact CG2-CB 4.26Å; V264-E269 HydrophobicContact CG2-CG 4.29Å; S266-E269 PolarHBondContact O-N 3.24Å; E269-Q272 PolarHBondContact O-N 2.98Å; E269-L273 HydrophobicContact CG-CD1 4.41Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.29Å; E269-R463 IonicContact OE1-CZ 3.38Å; E269-R463 IonicContact OE1-NH1 3.36Å; E269-R463 PolarHBondContact OE1-NH1 3Å; E269-R463 IonicContact OE1-NH2 2.92Å; E269-R463 PolarHBondContact OE1-NH2 3.23Å
270	L	98.8	Very high	98.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-44.6	178.1	-164.5	157.1	0	0	0	111.5	A262 V264 S266 S267 K268 Q272 L273 A274 L284 T286 L291 F298 L302	A262-L270 HydrophobicContact CB-CD1 4.49Å; A262-L270 HydrophobicContact CB-CG 4.2Å; V264-L270 HydrophobicContact CG2-CB 3.65Å; V264-L270 HydrophobicContact CG2-CD1 4.35Å; V264-L270 HydrophobicContact CG2-CG 4.21Å; S266-L270 PolarHBondContact O-N 2.88Å; S267-L270 PolarHBondContact O-N 2.91Å; K268-L270 VanDerWaalsContact C-N 3.32Å; L270-Q272 PolarHBondContact O-N 3.03Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.93Å; L270-A274 WeakPolarHBondContact O-CB 3.37Å; L270-A274 PolarHBondContact O-N 3.37Å; L270-L284 HydrophobicContact CD2-CD2 3.98Å; L270-T286 HydrophobicContact CD1-CG2 4.12Å; L270-T286 HydrophobicContact CD2-CG2 4.38Å; L270-L291 HydrophobicContact CD1-CD1 4.17Å; L270-L291 HydrophobicContact CD1-CD2 4.15Å; L270-F298 HydrophobicContact CB-CE2 4.18Å; L270-F298 HydrophobicContact CB-CZ 4.38Å; L270-F298 HydrophobicContact CD1-CZ 3.94Å; L270-F298 HydrophobicContact CD2-CE2 3.95Å; L270-F298 HydrophobicContact CD2-CZ 3.74Å; L270-F298 HydrophobicContact CG-CE2 4.44Å; L270-F298 HydrophobicContact CG-CZ 4.23Å; L270-L302 HydrophobicContact CD2-CD1 3.72Å; L270-L302 HydrophobicContact CD2-CD2 3.93Å; L270-L302 HydrophobicContact CD2-CG 4.45Å
271	L	98.8	Very high	98.4	Very high	24 Å²	24	38.6 Å²	38.6	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-43.7	175.1	-72.1	170.8	0	0	0	111.8	S267 K268 L273 A274 E275 F298 K301 L302	S267-L271 WeakPolarHBondContact O-CG 3.43Å; S267-L271 PolarHBondContact O-N 3.17Å; K268-L271 PolarHBondContact O-N 2.95Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 2.89Å; L271-A274 WeakPolarHBondContact O-CB 3.37Å; L271-A274 PolarHBondContact O-N 3.14Å; L271-A274 VanDerWaalsContact O-N 3.11Å; L271-E275 WeakPolarHBondContact O-CG 3.29Å; L271-E275 PolarHBondContact O-N 2.83Å; L271-F298 HydrophobicContact CD1-CD2 4.03Å; L271-F298 HydrophobicContact CD2-CD2 4.28Å; L271-F298 HydrophobicContact CD2-CE2 4.21Å; L271-F298 HydrophobicContact CG-CD2 3.93Å; L271-F298 HydrophobicContact CG-CE2 3.93Å; L271-K301 HydrophobicContact CD1-CB 4.16Å; L271-K301 HydrophobicContact CD1-CD 4.16Å; L271-K301 HydrophobicContact CD2-CB 3.9Å; L271-L302 HydrophobicContact CD2-CB 4.12Å; L271-L302 HydrophobicContact CD2-CD1 4.35Å
272	Q	98.5	Very high	98.4	Very high	103 Å²	103	38.2 Å²	38.2	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-61.5	-38	176.1	-72.2	177	-26.1	0	0	112.6	K268 E269 L270 S276	K268-Q272 WeakPolarHBondContact O-CG 3.24Å; K268-Q272 PolarHBondContact O-N 3.41Å; E269-Q272 PolarHBondContact O-N 2.98Å; L270-Q272 PolarHBondContact O-N 3.03Å; Q272-S276 WeakPolarHBondContact O-CB 3.19Å; Q272-S276 PolarHBondContact O-N 3.07Å; Q272-S276 PolarHBondContact O-OG 3.01Å
273	L	98.4	Very high	98.5	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-43.5	172.4	-74	172	0	0	0	111.6	A262 V264 E269 L270 L271 S276 L277 L458	A262-L273 HydrophobicContact CB-CD1 4.4Å; V264-L273 HydrophobicContact CG1-CD1 3.66Å; V264-L273 HydrophobicContact CG2-CD1 4.26Å; E269-L273 HydrophobicContact CG-CD1 4.41Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.29Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.93Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 2.89Å; L273-S276 PolarHBondContact O-OG 3.44Å; L273-L277 HydrophobicContact CD2-CD1 4.04Å; L273-L277 WeakPolarHBondContact O-CB 3.36Å; L273-L277 VanDerWaalsContact O-CG 3.32Å; L273-L277 WeakPolarHBondContact O-CG 3.31Å; L273-L277 PolarHBondContact O-N 3.12Å; L273-L458 HydrophobicContact CD1-CD2 3.66Å; L273-L458 HydrophobicContact CD2-CD2 4.21Å
274	A	98.6	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-43.1	179.2	0	0	0	0	0	112	L270 L271 G278 L284 L302 V305 F311	L270-A274 WeakPolarHBondContact O-CB 3.37Å; L270-A274 PolarHBondContact O-N 3.37Å; L271-A274 WeakPolarHBondContact O-CB 3.37Å; L271-A274 PolarHBondContact O-N 3.14Å; L271-A274 VanDerWaalsContact O-N 3.11Å; A274-G278 WeakPolarHBondContact O-CA 3.39Å; A274-G278 PolarHBondContact O-N 3.34Å; A274-L284 HydrophobicContact CB-CD2 3.83Å; A274-L302 HydrophobicContact CB-CD1 3.7Å; A274-V305 HydrophobicContact CB-CG1 3.78Å; A274-F311 HydrophobicContact CB-CZ 4.16Å
275	E	98.6	Very high	98.6	Very high	101 Å²	101	34.7 Å²	34.7	47%	0.472	18%	0.181	S	C	.	.	H	α-helix	trans	-65.6	-50	176.7	-70.9	168.6	-175	0	0	111.1	L271 V305 H309	L271-E275 WeakPolarHBondContact O-CG 3.29Å; L271-E275 PolarHBondContact O-N 2.83Å; E275-V305 HydrophobicContact CG-CG1 4.02Å; E275-V305 HydrophobicContact CG-CG2 3.89Å; E275-H309 PolarHBondContact O-NE2 2.69Å
276	S	98.4	Very high	98.6	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	16%	0.163	S	C	.	.	H	α-helix	trans	-70.9	-40.9	-176.1	57.8	0	0	0	0	113.6	Q272 L273 L464	Q272-S276 WeakPolarHBondContact O-CB 3.19Å; Q272-S276 PolarHBondContact O-N 3.07Å; Q272-S276 PolarHBondContact O-OG 3.01Å; L273-S276 PolarHBondContact O-OG 3.44Å; S276-L464 WeakPolarHBondContact O-CD1 2.87Å
277	L	98.6	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-94.4	-15.4	-175.3	-52.6	-175.9	0	0	0	112.8	V260 L273 P279 K280 I281 I457 L464 A467	V260-L277 HydrophobicContact CG1-CD1 4.12Å; V260-L277 HydrophobicContact CG2-CD1 4.33Å; L273-L277 HydrophobicContact CD2-CD1 4.04Å; L273-L277 WeakPolarHBondContact O-CB 3.36Å; L273-L277 VanDerWaalsContact O-CG 3.32Å; L273-L277 WeakPolarHBondContact O-CG 3.31Å; L273-L277 PolarHBondContact O-N 3.12Å; L277-P279 VanDerWaalsContact C-N 3.35Å; L277-K280 WeakPolarHBondContact O-CA 3.38Å; L277-K280 WeakPolarHBondContact O-CB 3.38Å; L277-K280 PolarHBondContact O-N 2.99Å; L277-I281 HydrophobicContact CB-CG2 4.44Å; L277-I281 PolarHBondContact O-N 3.01Å; L277-I457 HydrophobicContact CD1-CG2 3.94Å; L277-L464 HydrophobicContact CD2-CB 4.27Å; L277-L464 HydrophobicContact CD2-CD1 4.09Å; L277-A467 HydrophobicContact CD2-CB 3.87Å
278	G	98.5	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-45.4	-49.9	-177.7	0	0	0	0	0	113.7	K254 A274 K280 I281	K254-G278 PolarHBondContact NZ-O 2.96Å; A274-G278 WeakPolarHBondContact O-CA 3.39Å; A274-G278 PolarHBondContact O-N 3.34Å; G278-K280 PolarHBondContact O-N 3.45Å; G278-I281 PolarHBondContact O-N 3.4Å
279	P	98.3	Very high	98.6	Very high	64 Å²	64	28.4 Å²	28.4	42%	0.416	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-60.4	-19.7	178.4	-27	36.3	0	0	0	115	K254 L277	K254-P279 WeakPolarHBondContact CE-O 3.33Å; L277-P279 VanDerWaalsContact C-N 3.35Å
280	K	98.2	Very high	98.6	Very high	62 Å²	62	28.8 Å²	28.8	27%	0.27	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-100.9	-11.6	-173.1	-54	-49.3	-166.1	159	0	114.3	S256 L277 G278 L464 E468 R471	S256-K280 WeakPolarHBondContact CB-O 3.5Å; S256-K280 PolarHBondContact OG-O 3.33Å; L277-K280 WeakPolarHBondContact O-CA 3.38Å; L277-K280 WeakPolarHBondContact O-CB 3.38Å; L277-K280 PolarHBondContact O-N 2.99Å; G278-K280 PolarHBondContact O-N 3.45Å; K280-L464 HydrophobicContact CG-CD1 3.95Å; K280-E468 WeakPolarHBondContact CD-OE2 3.43Å; K280-E468 WeakPolarHBondContact CE-OE2 3.18Å; K280-E468 IonicContact NZ-OE1 2.64Å; K280-E468 IonicContact NZ-OE2 3.88Å; K280-E468 PolarHBondContact NZ-OE2 3.4Å; K280-R471 WeakPolarHBondContact O-CD 3.31Å
281	I	98.8	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.			trans	-115.1	147.4	-170.8	66.5	-179	0	0	0	111.2	K254 L258 V260 L277 G278 L284 F311	K254-I281 WeakPolarHBondContact CE-O 3.33Å; K254-I281 PolarHBondContact NZ-O 3.35Å; L258-I281 HydrophobicContact CD2-CG2 4.08Å; L258-I281 HydrophobicContact CG-CG2 4.16Å; L258-I281 WeakPolarHBondContact O-CA 3.31Å; L258-I281 WeakPolarHBondContact O-CB 3.38Å; V260-I281 HydrophobicContact CB-CG2 4.23Å; V260-I281 HydrophobicContact CG2-CG2 3.46Å; V260-I281 VanDerWaalsContact CG2-CG2 3.46Å; L277-I281 HydrophobicContact CB-CG2 4.44Å; L277-I281 PolarHBondContact O-N 3.01Å; G278-I281 PolarHBondContact O-N 3.4Å; I281-L284 HydrophobicContact CD1-CB 3.92Å; I281-L284 HydrophobicContact CD1-CD1 3.76Å; I281-L284 HydrophobicContact CD1-CG 4.47Å; I281-F311 HydrophobicContact CD1-CD1 4.37Å; I281-F311 HydrophobicContact CD1-CD2 4.41Å; I281-F311 HydrophobicContact CD1-CG 4.25Å; I281-F311 HydrophobicContact CG1-CB 4.12Å; I281-F311 HydrophobicContact CG1-CD1 4.27Å; I281-F311 HydrophobicContact CG1-CG 4.15Å
282	C	98.8	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-85.7	-20.8	167.2	65.3	0	0	0	0	111.9	L247 I250 M251 S256 L258 L312	L247-C282 HydrophobicContact CD1-CB 4.02Å; I250-C282 HydrophobicContact CG2-CB 4.08Å; M251-C282 HydrophobicContact CG-CB 3.59Å; S256-C282 WeakPolarHBondContact O-CB 3.47Å; S256-C282 PolarHBondContact OG-N 2.76Å; L258-C282 PolarHBondContact O-N 2.91Å; L258-C282 PolarHBondContact O-SG 3.36Å; C282-L312 PolarHBondContact O-N 3.01Å
283	M	98.8	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.6	-174.5	-171.7	-179.2	-58.2	0	0	112.1	L247 C259 V260 L312 F314 I343 M419	L247-M283 HydrophobicContact CD1-CE 3.79Å; L247-M283 HydrophobicContact CD2-CE 3.38Å; L247-M283 HydrophobicContact CG-CE 4.24Å; C259-M283 VanDerWaalsContact CA-O 3.22Å; C259-M283 WeakPolarHBondContact CA-O 3.41Å; C259-M283 HydrophobicContact CB-CB 3.97Å; V260-M283 PolarHBondContact N-O 3.22Å; M283-L312 CarbonylContact C-O 3.52Å; M283-L312 WeakPolarHBondContact CA-O 3.37Å; M283-L312 HydrophobicContact CG-CB 4.44Å; M283-L312 VanDerWaalsContact CG-O 3.3Å; M283-L312 WeakPolarHBondContact CG-O 3.46Å; M283-F314 HydrophobicContact CG-CB 3.85Å; M283-F314 HydrophobicContact SD-CB 3.46Å; M283-F314 WeakPolarHBondContact SD-CB 3.3Å; M283-F314 HydrophobicContact SD-CD1 3.72Å; M283-F314 HydrophobicContact SD-CG 3.97Å; M283-I343 HydrophobicContact CE-CD1 3.38Å; M283-I343 HydrophobicContact SD-CD1 4.14Å; M283-M419 HydrophobicContact CE-CE 3.66Å; M283-M419 HydrophobicContact CE-SD 3.9Å; M283-M419 HydrophobicContact SD-SD 4.1Å
284	L	98.9	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.7	168.8	-168.3	78.3	0	0	0	109	V260 A262 L270 A274 I281 T286 L302 F311 L312 F314	V260-L284 HydrophobicContact CB-CD1 4.15Å; V260-L284 HydrophobicContact CG1-CD1 4.2Å; A262-L284 HydrophobicContact CB-CD1 4.05Å; A262-L284 HydrophobicContact CB-CG 4.39Å; L270-L284 HydrophobicContact CD2-CD2 3.98Å; A274-L284 HydrophobicContact CB-CD2 3.83Å; I281-L284 HydrophobicContact CD1-CB 3.92Å; I281-L284 HydrophobicContact CD1-CD1 3.76Å; I281-L284 HydrophobicContact CD1-CG 4.47Å; L284-T286 HydrophobicContact CD2-CG2 4.41Å; L284-L302 HydrophobicContact CD2-CD1 3.8Å; L284-F311 HydrophobicContact CB-CD2 3.88Å; L284-F311 HydrophobicContact CB-CE2 3.6Å; L284-F311 HydrophobicContact CB-CZ 4.44Å; L284-F311 HydrophobicContact CD2-CE2 4.26Å; L284-L312 PolarHBondContact N-O 3.04Å; L284-F314 PolarHBondContact O-N 3.5Å
285	K	98.9	Very high	98.4	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.3	175.1	-173.2	-170.8	79.6	66.8	0	110.4	V260 S261 A262 D263 H287 F314 D316 I452	V260-K285 PolarHBondContact O-N 3.04Å; S261-K285 VanDerWaalsContact CB-CE 3.45Å; S261-K285 WeakPolarHBondContact OG-CE 3.2Å; S261-K285 PolarHBondContact OG-NZ 2.87Å; A262-K285 PolarHBondContact N-O 3Å; D263-K285 IonicContact OD1-NZ 3.49Å; K285-H287 PolarHBondContact NZ-CD2 2.8Å; K285-H287 PolarHBondContact NZ-NE2 3.43Å; K285-H287 VanDerWaalsContact NZ-NE2 3.1Å; K285-F314 CarbonylContact C-O 3.52Å; K285-F314 WeakPolarHBondContact CA-O 3.2Å; K285-F314 HydrophobicContact CB-CD1 3.93Å; K285-F314 HydrophobicContact CB-CE1 4.5Å; K285-F314 HydrophobicContact CB-CG 4.45Å; K285-F314 HydrophobicContact CD-CD1 3.91Å; K285-F314 HydrophobicContact CD-CE1 3.61Å; K285-F314 HydrophobicContact CD-CZ 4.26Å; K285-F314 HydrophobicContact CG-CD1 3.58Å; K285-F314 HydrophobicContact CG-CE1 3.76Å; K285-F314 HydrophobicContact CG-CG 4.07Å; K285-F314 HydrophobicContact CG-CZ 4.38Å; K285-F314 WeakPolarHBondContact CG-O 3.5Å; K285-D316 HydrophobicContact CD-CB 3.6Å; K285-D316 WeakPolarHBondContact CD-OD2 3.39Å; K285-D316 WeakPolarHBondContact CE-OD2 3.29Å; K285-D316 HydrophobicContact CG-CB 3.63Å; K285-D316 IonicContact NZ-OD2 3.23Å; K285-D316 PolarHBondContact NZ-OD2 2.95Å; K285-I452 HydrophobicContact CD-CG2 3.93Å
286	T	98.9	Very high	98.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	160.4	-177.9	56.3	0	0	0	0	111.9	L270 L284 L302 I313 F314 E315 D316	L270-T286 HydrophobicContact CD1-CG2 4.12Å; L270-T286 HydrophobicContact CD2-CG2 4.38Å; L284-T286 HydrophobicContact CD2-CG2 4.41Å; T286-L302 HydrophobicContact CG2-CD2 4.05Å; T286-I313 HydrophobicContact CG2-CG2 4.49Å; T286-F314 PolarHBondContact N-O 3.31Å; T286-E315 WeakPolarHBondContact CB-OE2 3.45Å; T286-E315 PolarHBondContact OG1-OE2 3.29Å; T286-D316 PolarHBondContact O-N 3.41Å
287	H	98.8	Very high	98.3	Very high	38 Å²	38	42.1 Å²	42.1	18%	0.176	21%	0.21	C	C	.	.			trans	-125.9	92.8	160.2	-80.5	-67.8	0	0	0	107	D263 K285 D289 I290 D316	D263-H287 IonicContact OD1-CD2 2.78Å; D263-H287 PolarHBondContact OD1-CD2 2.97Å; D263-H287 VanDerWaalsContact OD1-CD2 3.32Å; K285-H287 PolarHBondContact NZ-CD2 2.8Å; K285-H287 PolarHBondContact NZ-NE2 3.43Å; K285-H287 VanDerWaalsContact NZ-NE2 3.1Å; H287-D289 IonicContact ND1-OD1 3.12Å; H287-D289 PolarHBondContact O-N 2.98Å; H287-I290 HydrophobicContact CB-CD1 3.87Å; H287-I290 HydrophobicContact CB-CG1 3.7Å; H287-I290 HydrophobicContact CB-CG2 4.31Å; H287-I290 VanDerWaalsContact O-CG1 3.23Å; H287-I290 WeakPolarHBondContact O-CG1 3.39Å; H287-I290 PolarHBondContact O-N 2.59Å; H287-D316 PolarHBondContact CE1-O 3.42Å; H287-D316 IonicContact CE1-OD2 3.38Å; H287-D316 PolarHBondContact CE1-OD2 3.45Å; H287-D316 PolarHBondContact ND1-O 3.46Å; H287-D316 IonicContact NE2-OD2 2.72Å; H287-D316 PolarHBondContact NE2-OD2 3.22Å
288	C	98.1	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66	-23.5	-176.1	68.7	0	0	0	0	112.5	I290 L291 F294 E315 F335 W340	C288-I290 VanDerWaalsContact C-N 3.33Å; C288-I290 PolarHBondContact O-N 2.93Å; C288-L291 PolarHBondContact O-N 3.42Å; C288-F294 HydrophobicContact CB-CD2 3.96Å; C288-F294 HydrophobicContact CB-CE2 3.93Å; C288-E315 PolarHBondContact N-OE1 3.15Å; C288-E315 VanDerWaalsContact N-OE1 3.13Å; C288-E315 PolarHBondContact N-OE2 3.46Å; C288-E315 PolarHBondContact SG-OE1 3.3Å; C288-F335 HydrophobicContact CB-CD1 4.02Å; C288-F335 HydrophobicContact CB-CE1 4.35Å; C288-F335 WeakPolarHBondContact O-CE1 3.42Å; C288-F335 VanDerWaalsContact SG-CD1 3.58Å; C288-F335 VanDerWaalsContact SG-CG 3.51Å; C288-W340 HydrophobicContact CB-CH2 4.09Å; C288-W340 HydrophobicContact CB-CZ2 3.89Å
289	D	98.1	Very high	98.3	Very high	78 Å²	78	42.6 Å²	42.6	42%	0.417	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-78.1	-9.8	-177.8	61.7	-21.3	0	0	0	114.8	H287 F335	H287-D289 IonicContact ND1-OD1 3.12Å; H287-D289 PolarHBondContact O-N 2.98Å; D289-F335 HydrophobicContact CB-CE2 4.24Å; D289-F335 HydrophobicContact CB-CZ 4.24Å
290	I	98.4	Very high	98.3	Very high	66 Å²	66	44.8 Å²	44.8	34%	0.338	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-99.5	-5.8	171.9	69	169.2	0	0	0	113.2	D263 H287 C288	D263-I290 HydrophobicContact CB-CD1 4.24Å; H287-I290 HydrophobicContact CB-CD1 3.87Å; H287-I290 HydrophobicContact CB-CG1 3.7Å; H287-I290 HydrophobicContact CB-CG2 4.31Å; H287-I290 VanDerWaalsContact O-CG1 3.23Å; H287-I290 WeakPolarHBondContact O-CG1 3.39Å; H287-I290 PolarHBondContact O-N 2.59Å; C288-I290 VanDerWaalsContact C-N 3.33Å; C288-I290 PolarHBondContact O-N 2.93Å
291	L	98.3	Very high	98.3	Very high	15 Å²	15	46.6 Å²	46.6	8%	0.079	23%	0.225	C	C	.	.			trans	-75.2	125.8	175.3	-67.5	175	0	0	0	110.1	V264 L270 C288 D293 F294 F298	V264-L291 WeakPolarHBondContact O-CD2 3.32Å; L270-L291 HydrophobicContact CD1-CD1 4.17Å; L270-L291 HydrophobicContact CD1-CD2 4.15Å; C288-L291 PolarHBondContact O-N 3.42Å; L291-D293 VanDerWaalsContact C-N 3.25Å; L291-D293 PolarHBondContact O-N 3.29Å; L291-F294 HydrophobicContact CB-CB 4.18Å; L291-F294 HydrophobicContact CD1-CD2 4.06Å; L291-F298 HydrophobicContact CD1-CD1 4.29Å; L291-F298 HydrophobicContact CD1-CE1 3.59Å; L291-F298 HydrophobicContact CD1-CE2 4.5Å; L291-F298 HydrophobicContact CD1-CZ 3.71Å
292	K	97.9	Very high	98.3	Very high	175 Å²	175	46.6 Å²	46.6	76%	0.761	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.4	-179.3	-65	172.6	-177.1	167.3	0	112.7	T265	T265-K292 PolarHBondContact O-N 2.85Å
293	D	97.8	Very high	98.3	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	36.9	-167.6	59.5	-21.3	0	0	0	111.7	S266 S267 L291 T295	S266-D293 WeakPolarHBondContact CA-OD1 3.39Å; S267-D293 PolarHBondContact N-OD1 3.01Å; S267-D293 PolarHBondContact OG-O 3.23Å; S267-D293 PolarHBondContact OG-OD1 3.16Å; L291-D293 VanDerWaalsContact C-N 3.25Å; L291-D293 PolarHBondContact O-N 3.29Å; D293-T295 PolarHBondContact O-N 3.39Å
294	F	98.3	Very high	98.3	Very high	27 Å²	27	51.1 Å²	51.1	12%	0.118	26%	0.255	C	S	.	.			trans	-64	132	175.2	-178.4	-85.3	0	0	0	111.2	C288 L291 F298 V334 F335 W340	C288-F294 HydrophobicContact CB-CD2 3.96Å; C288-F294 HydrophobicContact CB-CE2 3.93Å; L291-F294 HydrophobicContact CB-CB 4.18Å; L291-F294 HydrophobicContact CD1-CD2 4.06Å; F294-F298 AromaticContact CD2-CD1 3.66Å; F294-F298 HydrophobicContact CD2-CD1 3.66Å; F294-F298 AromaticContact CD2-CE1 3.88Å; F294-F298 HydrophobicContact CD2-CE1 3.88Å; F294-F298 AromaticContact CE2-CD1 3.75Å; F294-F298 HydrophobicContact CE2-CD1 3.75Å; F294-F298 AromaticContact CE2-CE1 3.92Å; F294-F298 HydrophobicContact CE2-CE1 3.92Å; F294-V334 HydrophobicContact CD1-CG1 4.47Å; F294-F335 HydrophobicContact CB-CD1 4.44Å; F294-F335 HydrophobicContact CB-CE1 4.06Å; F294-F335 AromaticContact CD1-CD1 3.59Å; F294-F335 HydrophobicContact CD1-CD1 3.59Å; F294-F335 HydrophobicContact CD1-CE1 4Å; F294-F335 HydrophobicContact CD2-CD1 4.1Å; F294-F335 HydrophobicContact CD2-CE1 4.42Å; F294-F335 HydrophobicContact CE1-CB 4.49Å; F294-F335 AromaticContact CE1-CD1 3.78Å; F294-F335 HydrophobicContact CE1-CD1 3.78Å; F294-F335 HydrophobicContact CE2-CD1 4.25Å; F294-F335 AromaticContact CG-CD1 3.77Å; F294-F335 HydrophobicContact CG-CD1 3.77Å; F294-F335 AromaticContact CG-CE1 3.89Å; F294-F335 HydrophobicContact CG-CE1 3.89Å; F294-F335 HydrophobicContact CZ-CD1 4.1Å; F294-W340 HydrophobicContact CE2-CZ2 4.21Å; F294-W340 AromaticContact CZ-NE1 3.95Å
295	T	97.9	Very high	98.3	Very high	67 Å²	67	51.5 Å²	51.5	41%	0.411	26%	0.257	S	S	.	.			trans	-138.6	162.1	173.5	66.9	0	0	0	0	110.6	D293 E297 F298 S299	D293-T295 PolarHBondContact O-N 3.39Å; T295-E297 PolarHBondContact O-N 2.7Å; T295-F298 WeakPolarHBondContact O-CB 3.42Å; T295-F298 PolarHBondContact O-N 3.37Å; T295-F298 VanDerWaalsContact O-N 3.16Å; T295-F298 PolarHBondContact OG1-N 3.47Å; T295-F298 VanDerWaalsContact OG1-N 3.12Å; T295-S299 PolarHBondContact O-N 3.31Å
296	E	96.3	Very high	98.3	Very high	104 Å²	104	51.4 Å²	51.4	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-30.6	172.3	-175.1	166.3	-167.5	0	0	112.1	F298 S299 Q300 R336	E296-F298 VanDerWaalsContact C-N 3.34Å; E296-S299 PolarHBondContact O-N 3.13Å; E296-S299 PolarHBondContact O-OG 2.67Å; E296-Q300 WeakPolarHBondContact O-CG 3.26Å; E296-Q300 PolarHBondContact O-N 3.29Å; E296-Q300 VanDerWaalsContact O-N 3.15Å; E296-R336 IonicContact OE1-NH1 2.61Å; E296-R336 PolarHBondContact OE1-NH1 3.25Å; E296-R336 IonicContact OE2-NH1 3.2Å; E296-R336 PolarHBondContact OE2-NH1 3.14Å
297	E	97.8	Very high	98.3	Very high	109 Å²	109	58.3 Å²	58.3	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-38	173.5	-172.6	-171.5	168.1	0	0	111.6	T295 Q300 K301	T295-E297 PolarHBondContact O-N 2.7Å; E297-Q300 PolarHBondContact O-N 2.98Å; E297-K301 HydrophobicContact CG-CD 4.46Å; E297-K301 WeakPolarHBondContact O-CG 3.31Å; E297-K301 PolarHBondContact O-N 3.02Å; E297-K301 WeakPolarHBondContact OE1-CE 3.08Å; E297-K301 IonicContact OE1-NZ 2.65Å; E297-K301 PolarHBondContact OE1-NZ 3.17Å
298	F	98.3	Very high	98.3	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.5	158.6	-96.4	0	0	0	111.4	S267 L270 L271 L291 F294 T295 E296 Q300 K301 L302	S267-F298 VanDerWaalsContact CB-CD2 3.49Å; L270-F298 HydrophobicContact CB-CE2 4.18Å; L270-F298 HydrophobicContact CB-CZ 4.38Å; L270-F298 HydrophobicContact CD1-CZ 3.94Å; L270-F298 HydrophobicContact CD2-CE2 3.95Å; L270-F298 HydrophobicContact CD2-CZ 3.74Å; L270-F298 HydrophobicContact CG-CE2 4.44Å; L270-F298 HydrophobicContact CG-CZ 4.23Å; L271-F298 HydrophobicContact CD1-CD2 4.03Å; L271-F298 HydrophobicContact CD2-CD2 4.28Å; L271-F298 HydrophobicContact CD2-CE2 4.21Å; L271-F298 HydrophobicContact CG-CD2 3.93Å; L271-F298 HydrophobicContact CG-CE2 3.93Å; L291-F298 HydrophobicContact CD1-CD1 4.29Å; L291-F298 HydrophobicContact CD1-CE1 3.59Å; L291-F298 HydrophobicContact CD1-CE2 4.5Å; L291-F298 HydrophobicContact CD1-CZ 3.71Å; F294-F298 AromaticContact CD2-CD1 3.66Å; F294-F298 HydrophobicContact CD2-CD1 3.66Å; F294-F298 AromaticContact CD2-CE1 3.88Å; F294-F298 HydrophobicContact CD2-CE1 3.88Å; F294-F298 AromaticContact CE2-CD1 3.75Å; F294-F298 HydrophobicContact CE2-CD1 3.75Å; F294-F298 AromaticContact CE2-CE1 3.92Å; F294-F298 HydrophobicContact CE2-CE1 3.92Å; T295-F298 WeakPolarHBondContact O-CB 3.42Å; T295-F298 PolarHBondContact O-N 3.37Å; T295-F298 VanDerWaalsContact O-N 3.16Å; T295-F298 PolarHBondContact OG1-N 3.47Å; T295-F298 VanDerWaalsContact OG1-N 3.12Å; E296-F298 VanDerWaalsContact C-N 3.34Å; F298-Q300 VanDerWaalsContact C-N 3.32Å; F298-Q300 PolarHBondContact O-N 3.09Å; F298-K301 PolarHBondContact O-N 3.24Å; F298-L302 HydrophobicContact CE1-CD2 4.42Å; F298-L302 HydrophobicContact CZ-CD2 4.03Å; F298-L302 PolarHBondContact O-N 2.91Å
299	S	98.1	Very high	98.3	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-38	-179.6	57.4	0	0	0	0	111.9	T295 E296 L302 Q303	T295-S299 PolarHBondContact O-N 3.31Å; E296-S299 PolarHBondContact O-N 3.13Å; E296-S299 PolarHBondContact O-OG 2.67Å; S299-L302 PolarHBondContact O-N 2.86Å; S299-Q303 WeakPolarHBondContact O-CG 3.48Å; S299-Q303 PolarHBondContact O-N 3.36Å
300	Q	98.4	Very high	98.3	Very high	110 Å²	110	64.3 Å²	64.3	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-44.4	173.4	-70.6	171.7	-0	0	0	112.4	E296 E297 F298 Q303 A304	E296-Q300 WeakPolarHBondContact O-CG 3.26Å; E296-Q300 PolarHBondContact O-N 3.29Å; E296-Q300 VanDerWaalsContact O-N 3.15Å; E297-Q300 PolarHBondContact O-N 2.98Å; F298-Q300 VanDerWaalsContact C-N 3.32Å; F298-Q300 PolarHBondContact O-N 3.09Å; Q300-Q303 PolarHBondContact O-N 2.86Å; Q300-A304 PolarHBondContact O-N 2.83Å
301	K	98.8	Very high	98.3	Very high	99 Å²	99	61.4 Å²	61.4	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-41.5	175.9	-73.9	176.4	-176.5	170.2	0	111.9	L271 E297 F298 Q303 A304 V305	L271-K301 HydrophobicContact CD1-CB 4.16Å; L271-K301 HydrophobicContact CD1-CD 4.16Å; L271-K301 HydrophobicContact CD2-CB 3.9Å; E297-K301 HydrophobicContact CG-CD 4.46Å; E297-K301 WeakPolarHBondContact O-CG 3.31Å; E297-K301 PolarHBondContact O-N 3.02Å; E297-K301 WeakPolarHBondContact OE1-CE 3.08Å; E297-K301 IonicContact OE1-NZ 2.65Å; E297-K301 PolarHBondContact OE1-NZ 3.17Å; F298-K301 PolarHBondContact O-N 3.24Å; K301-Q303 VanDerWaalsContact C-N 3.31Å; K301-Q303 PolarHBondContact O-N 2.93Å; K301-A304 PolarHBondContact O-N 3.37Å; K301-V305 WeakPolarHBondContact O-CG2 3.26Å; K301-V305 PolarHBondContact O-N 3.4Å
302	L	98.8	Very high	98.4	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-38.5	177.7	-175.6	61.5	0	0	0	111.7	L270 L271 A274 L284 T286 F298 S299 V305 A306 I313 W340	L270-L302 HydrophobicContact CD2-CD1 3.72Å; L270-L302 HydrophobicContact CD2-CD2 3.93Å; L270-L302 HydrophobicContact CD2-CG 4.45Å; L271-L302 HydrophobicContact CD2-CB 4.12Å; L271-L302 HydrophobicContact CD2-CD1 4.35Å; A274-L302 HydrophobicContact CB-CD1 3.7Å; L284-L302 HydrophobicContact CD2-CD1 3.8Å; T286-L302 HydrophobicContact CG2-CD2 4.05Å; F298-L302 HydrophobicContact CE1-CD2 4.42Å; F298-L302 HydrophobicContact CZ-CD2 4.03Å; F298-L302 PolarHBondContact O-N 2.91Å; S299-L302 PolarHBondContact O-N 2.86Å; L302-V305 PolarHBondContact O-N 2.96Å; L302-A306 WeakPolarHBondContact O-CB 3.39Å; L302-A306 PolarHBondContact O-N 3.03Å; L302-I313 HydrophobicContact CD2-CD1 4.3Å; L302-I313 HydrophobicContact CD2-CG2 4.28Å; L302-I313 HydrophobicContact CG-CD1 3.91Å; L302-I313 HydrophobicContact CG-CG1 4.46Å; L302-W340 HydrophobicContact CD2-CZ3 4.44Å
303	Q	98.8	Very high	98.4	Very high	43 Å²	43	52.7 Å²	52.7	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-44.6	172.7	-72.2	178.6	-86.9	0	0	111.9	S299 Q300 K301 V305 A306 E307 I313 W340	S299-Q303 WeakPolarHBondContact O-CG 3.48Å; S299-Q303 PolarHBondContact O-N 3.36Å; Q300-Q303 PolarHBondContact O-N 2.86Å; K301-Q303 VanDerWaalsContact C-N 3.31Å; K301-Q303 PolarHBondContact O-N 2.93Å; Q303-V305 VanDerWaalsContact C-N 3.32Å; Q303-V305 PolarHBondContact O-N 2.61Å; Q303-A306 WeakPolarHBondContact O-CB 3.4Å; Q303-A306 PolarHBondContact O-N 3.27Å; Q303-A306 VanDerWaalsContact O-N 3.17Å; Q303-E307 WeakPolarHBondContact O-CG 3.43Å; Q303-E307 PolarHBondContact O-N 2.93Å; Q303-I313 HydrophobicContact CG-CD1 4.04Å; Q303-W340 HydrophobicContact CG-CB 3.96Å
304	A	98.8	Very high	98.5	Very high	52 Å²	52	49.3 Å²	49.3	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-42.2	176.7	0	0	0	0	0	112.1	Q300 K301 E307 E308	Q300-A304 PolarHBondContact O-N 2.83Å; K301-A304 PolarHBondContact O-N 3.37Å; A304-E307 PolarHBondContact O-N 3.45Å; A304-E308 WeakPolarHBondContact O-CB 3.44Å; A304-E308 PolarHBondContact O-N 2.91Å
305	V	98.8	Very high	98.5	Very high	9 Å²	9	48 Å²	48	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-37.8	176.2	176.4	0	0	0	0	111.6	A274 E275 K301 L302 Q303 E308 H309 F311	A274-V305 HydrophobicContact CB-CG1 3.78Å; E275-V305 HydrophobicContact CG-CG1 4.02Å; E275-V305 HydrophobicContact CG-CG2 3.89Å; K301-V305 WeakPolarHBondContact O-CG2 3.26Å; K301-V305 PolarHBondContact O-N 3.4Å; L302-V305 PolarHBondContact O-N 2.96Å; Q303-V305 VanDerWaalsContact C-N 3.32Å; Q303-V305 PolarHBondContact O-N 2.61Å; V305-E308 PolarHBondContact O-N 2.73Å; V305-H309 PolarHBondContact O-N 3.31Å; V305-F311 HydrophobicContact CG1-CE1 4.11Å; V305-F311 HydrophobicContact CG1-CZ 4.12Å
306	A	98.8	Very high	98.5	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-39.3	176	0	0	0	0	0	112.5	L302 Q303 N310 F311 I313	L302-A306 WeakPolarHBondContact O-CB 3.39Å; L302-A306 PolarHBondContact O-N 3.03Å; Q303-A306 WeakPolarHBondContact O-CB 3.4Å; Q303-A306 PolarHBondContact O-N 3.27Å; Q303-A306 VanDerWaalsContact O-N 3.17Å; A306-N310 VanDerWaalsContact O-CA 3.31Å; A306-N310 WeakPolarHBondContact O-CA 3.33Å; A306-N310 PolarHBondContact O-N 3.48Å; A306-F311 VanDerWaalsContact CA-CZ 3.43Å; A306-F311 HydrophobicContact CB-CD2 3.93Å; A306-F311 HydrophobicContact CB-CE1 4.4Å; A306-F311 HydrophobicContact CB-CE2 3.52Å; A306-F311 HydrophobicContact CB-CZ 3.78Å; A306-F311 WeakPolarHBondContact CB-O 3.36Å; A306-F311 PolarHBondContact O-N 2.78Å; A306-I313 HydrophobicContact CB-CD1 3.76Å; A306-I313 HydrophobicContact CB-CG1 3.76Å
307	E	98.5	Very high	98.6	Very high	148 Å²	148	44.6 Å²	44.6	69%	0.692	22%	0.216	S	C	*	.	H	α-helix	trans	-67.5	-46.7	173.3	-71.4	173.6	-168.8	0	0	111.4	Q303 A304 H309 N310	Q303-E307 WeakPolarHBondContact O-CG 3.43Å; Q303-E307 PolarHBondContact O-N 2.93Å; A304-E307 PolarHBondContact O-N 3.45Å; E307-H309 PolarHBondContact O-N 2.9Å; E307-N310 PolarHBondContact O-N 2.86Å
308	E	98.6	Very high	98.7	Very high	146 Å²	146	43.1 Å²	43.1	68%	0.682	21%	0.208	S	C	*	.	H	α-helix	trans	-60	-43.7	179.9	-178.4	-179.8	165	0	0	112.5	A304 V305	A304-E308 WeakPolarHBondContact O-CB 3.44Å; A304-E308 PolarHBondContact O-N 2.91Å; V305-E308 PolarHBondContact O-N 2.73Å
309	H	98.6	Very high	98.7	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.181	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.1	-177.1	-64.8	-34.9	0	0	0	114	K254 E275 V305 E307 F311	K254-H309 PolarHBondContact NZ-O 3.42Å; E275-H309 PolarHBondContact O-NE2 2.69Å; V305-H309 PolarHBondContact O-N 3.31Å; E307-H309 PolarHBondContact O-N 2.9Å; H309-F311 HydrophobicContact CB-CD1 3.78Å; H309-F311 HydrophobicContact CB-CE1 3.87Å
310	N	98.6	Very high	98.7	Very high	57 Å²	57	45.1 Å²	45.1	31%	0.305	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	66.8	177.4	-165.6	24	0	0	0	112.6	I250 E253 K254 A306 E307	I250-N310 WeakPolarHBondContact CG1-OD1 3.43Å; I250-N310 WeakPolarHBondContact CG2-O 3.16Å; E253-N310 PolarHBondContact OE2-ND2 2.92Å; E253-N310 VanDerWaalsContact OE2-ND2 3.09Å; K254-N310 WeakPolarHBondContact CD-O 3.38Å; K254-N310 PolarHBondContact NZ-O 3.09Å; A306-N310 VanDerWaalsContact O-CA 3.31Å; A306-N310 WeakPolarHBondContact O-CA 3.33Å; A306-N310 PolarHBondContact O-N 3.48Å; E307-N310 PolarHBondContact O-N 2.86Å
311	F	98.9	Very high	98.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.217	C	C	.	.			trans	-138.9	157.8	171.4	66	-102.1	0	0	0	111	A274 I281 L284 V305 A306 H309 I313	A274-F311 HydrophobicContact CB-CZ 4.16Å; I281-F311 HydrophobicContact CD1-CD1 4.37Å; I281-F311 HydrophobicContact CD1-CD2 4.41Å; I281-F311 HydrophobicContact CD1-CG 4.25Å; I281-F311 HydrophobicContact CG1-CB 4.12Å; I281-F311 HydrophobicContact CG1-CD1 4.27Å; I281-F311 HydrophobicContact CG1-CG 4.15Å; L284-F311 HydrophobicContact CB-CD2 3.88Å; L284-F311 HydrophobicContact CB-CE2 3.6Å; L284-F311 HydrophobicContact CB-CZ 4.44Å; L284-F311 HydrophobicContact CD2-CE2 4.26Å; V305-F311 HydrophobicContact CG1-CE1 4.11Å; V305-F311 HydrophobicContact CG1-CZ 4.12Å; A306-F311 VanDerWaalsContact CA-CZ 3.43Å; A306-F311 HydrophobicContact CB-CD2 3.93Å; A306-F311 HydrophobicContact CB-CE1 4.4Å; A306-F311 HydrophobicContact CB-CE2 3.52Å; A306-F311 HydrophobicContact CB-CZ 3.78Å; A306-F311 WeakPolarHBondContact CB-O 3.36Å; A306-F311 PolarHBondContact O-N 2.78Å; H309-F311 HydrophobicContact CB-CD1 3.78Å; H309-F311 HydrophobicContact CB-CE1 3.87Å; F311-I313 HydrophobicContact CE2-CG1 4.25Å
312	L	98.9	Very high	98.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	149.6	176.1	-61.5	-169.2	0	0	0	112.6	L243 T246 L247 I250 C282 M283 L284 H342 I343	L243-L312 HydrophobicContact CD1-CD1 3.91Å; L243-L312 HydrophobicContact CD1-CD2 4.29Å; L243-L312 HydrophobicContact CG-CD1 4.09Å; T246-L312 HydrophobicContact CG2-CD2 4.35Å; L247-L312 HydrophobicContact CB-CD1 3.73Å; L247-L312 HydrophobicContact CD1-CD1 4Å; L247-L312 HydrophobicContact CD1-CG 4.19Å; L247-L312 HydrophobicContact CG-CD1 4.32Å; I250-L312 HydrophobicContact CD1-CD2 4.01Å; I250-L312 HydrophobicContact CD1-CG 4.06Å; C282-L312 PolarHBondContact O-N 3.01Å; M283-L312 CarbonylContact C-O 3.52Å; M283-L312 WeakPolarHBondContact CA-O 3.37Å; M283-L312 HydrophobicContact CG-CB 4.44Å; M283-L312 VanDerWaalsContact CG-O 3.3Å; M283-L312 WeakPolarHBondContact CG-O 3.46Å; L284-L312 PolarHBondContact N-O 3.04Å; L312-H342 HydrophobicContact CB-CB 4.32Å; L312-H342 HydrophobicContact CD2-CB 4.4Å; L312-I343 HydrophobicContact CB-CD1 4.46Å; L312-I343 HydrophobicContact CD1-CD1 3.95Å
313	I	98.9	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.9	175	-55.7	166	0	0	0	109.2	T286 L302 Q303 A306 F311 W340 S341 H342 I343	T286-I313 HydrophobicContact CG2-CG2 4.49Å; L302-I313 HydrophobicContact CD2-CD1 4.3Å; L302-I313 HydrophobicContact CD2-CG2 4.28Å; L302-I313 HydrophobicContact CG-CD1 3.91Å; L302-I313 HydrophobicContact CG-CG1 4.46Å; Q303-I313 HydrophobicContact CG-CD1 4.04Å; A306-I313 HydrophobicContact CB-CD1 3.76Å; A306-I313 HydrophobicContact CB-CG1 3.76Å; F311-I313 HydrophobicContact CE2-CG1 4.25Å; I313-W340 HydrophobicContact CG2-CE3 3.8Å; I313-W340 HydrophobicContact CG2-CZ3 3.55Å; I313-S341 PolarHBondContact O-OG 2.98Å; I313-H342 PolarHBondContact N-ND1 3.3Å; I313-H342 WeakPolarHBondContact O-CA 3.3Å; I313-H342 WeakPolarHBondContact O-CB 3.25Å; I313-H342 PolarHBondContact O-N 3.03Å; I313-I343 PolarHBondContact O-N 3.39Å
314	F	98.9	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107.7	178.7	167.1	-151.5	0	0	0	111	M283 L284 K285 T286 D316 I343 N345 L370 I405 I452	M283-F314 HydrophobicContact CG-CB 3.85Å; M283-F314 HydrophobicContact SD-CB 3.46Å; M283-F314 WeakPolarHBondContact SD-CB 3.3Å; M283-F314 HydrophobicContact SD-CD1 3.72Å; M283-F314 HydrophobicContact SD-CG 3.97Å; L284-F314 PolarHBondContact O-N 3.5Å; K285-F314 CarbonylContact C-O 3.52Å; K285-F314 WeakPolarHBondContact CA-O 3.2Å; K285-F314 HydrophobicContact CB-CD1 3.93Å; K285-F314 HydrophobicContact CB-CE1 4.5Å; K285-F314 HydrophobicContact CB-CG 4.45Å; K285-F314 HydrophobicContact CD-CD1 3.91Å; K285-F314 HydrophobicContact CD-CE1 3.61Å; K285-F314 HydrophobicContact CD-CZ 4.26Å; K285-F314 HydrophobicContact CG-CD1 3.58Å; K285-F314 HydrophobicContact CG-CE1 3.76Å; K285-F314 HydrophobicContact CG-CG 4.07Å; K285-F314 HydrophobicContact CG-CZ 4.38Å; K285-F314 WeakPolarHBondContact CG-O 3.5Å; T286-F314 PolarHBondContact N-O 3.31Å; F314-D316 HydrophobicContact CE2-CB 4.35Å; F314-D316 HydrophobicContact CZ-CB 4.17Å; F314-D316 PolarHBondContact O-N 2.89Å; F314-I343 WeakPolarHBondContact CA-O 3.48Å; F314-I343 HydrophobicContact CB-CB 4.07Å; F314-I343 HydrophobicContact CB-CG2 4.43Å; F314-I343 HydrophobicContact CD2-CB 4.17Å; F314-I343 HydrophobicContact CD2-CG2 3.82Å; F314-I343 HydrophobicContact CE2-CG2 4.42Å; F314-I343 HydrophobicContact CG-CB 4.32Å; F314-I343 HydrophobicContact CG-CG2 4.15Å; F314-N345 HydrophobicContact CE2-CB 3.82Å; F314-N345 HydrophobicContact CZ-CB 3.92Å; F314-L370 HydrophobicContact CD1-CD1 4.44Å; F314-L370 HydrophobicContact CE1-CD1 4.11Å; F314-L370 HydrophobicContact CE2-CD1 4.46Å; F314-L370 HydrophobicContact CZ-CD1 4.14Å; F314-I405 HydrophobicContact CE1-CD1 3.97Å; F314-I405 HydrophobicContact CZ-CD1 4.01Å; F314-I452 HydrophobicContact CE1-CD1 4.31Å
315	E	98.9	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.6	171.9	176.4	55.1	-150.9	0	0	111.1	T286 C288 R317 I337 W340 S341 I343 V344	T286-E315 WeakPolarHBondContact CB-OE2 3.45Å; T286-E315 PolarHBondContact OG1-OE2 3.29Å; C288-E315 PolarHBondContact N-OE1 3.15Å; C288-E315 VanDerWaalsContact N-OE1 3.13Å; C288-E315 PolarHBondContact N-OE2 3.46Å; C288-E315 PolarHBondContact SG-OE1 3.3Å; E315-R317 HydrophobicContact CG-CB 4.09Å; E315-R317 PolarHBondContact O-N 3Å; E315-I337 HydrophobicContact CB-CG2 3.75Å; E315-I337 HydrophobicContact CG-CD1 4.1Å; E315-I337 HydrophobicContact CG-CG1 4.28Å; E315-I337 HydrophobicContact CG-CG2 3.65Å; E315-W340 HydrophobicContact CB-CH2 3.89Å; E315-W340 HydrophobicContact CB-CZ2 4.47Å; E315-W340 HydrophobicContact CB-CZ3 4.41Å; E315-W340 HydrophobicContact CG-CH2 4.12Å; E315-W340 HydrophobicContact CG-CZ2 4.41Å; E315-W340 WeakPolarHBondContact OE2-CH2 3.41Å; E315-S341 WeakPolarHBondContact CB-OG 3.46Å; E315-S341 PolarHBondContact N-OG 3.4Å; E315-I343 PolarHBondContact N-O 2.97Å; E315-V344 HydrophobicContact CB-CG1 4.41Å
316	D	98.8	Very high	98.5	Very high	16 Å²	16	46.2 Å²	46.2	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	54.5	-177.3	-171.2	13	0	0	0	111.9	K285 T286 H287 F314 K318 N345	K285-D316 HydrophobicContact CD-CB 3.6Å; K285-D316 WeakPolarHBondContact CD-OD2 3.39Å; K285-D316 WeakPolarHBondContact CE-OD2 3.29Å; K285-D316 HydrophobicContact CG-CB 3.63Å; K285-D316 IonicContact NZ-OD2 3.23Å; K285-D316 PolarHBondContact NZ-OD2 2.95Å; T286-D316 PolarHBondContact O-N 3.41Å; H287-D316 PolarHBondContact CE1-O 3.42Å; H287-D316 IonicContact CE1-OD2 3.38Å; H287-D316 PolarHBondContact CE1-OD2 3.45Å; H287-D316 PolarHBondContact ND1-O 3.46Å; H287-D316 IonicContact NE2-OD2 2.72Å; H287-D316 PolarHBondContact NE2-OD2 3.22Å; F314-D316 HydrophobicContact CE2-CB 4.35Å; F314-D316 HydrophobicContact CZ-CB 4.17Å; F314-D316 PolarHBondContact O-N 2.89Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 2.99Å; D316-K318 WeakPolarHBondContact OD1-CE 3.41Å; D316-K318 VanDerWaalsContact OD1-CG 3.31Å; D316-K318 WeakPolarHBondContact OD1-CG 3.42Å; D316-N345 PolarHBondContact OD1-ND2 2.64Å
317	R	98.7	Very high	98.5	Very high	84 Å²	84	49.6 Å²	49.6	32%	0.317	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-22.8	-174.3	-174.4	56.3	-172.9	80.2	-4.8	113.6	E315 F319 I337 N345	E315-R317 HydrophobicContact CG-CB 4.09Å; E315-R317 PolarHBondContact O-N 3Å; R317-F319 HydrophobicContact CB-CD2 4.12Å; R317-F319 HydrophobicContact CB-CE2 3.76Å; R317-F319 HydrophobicContact CB-CZ 4.07Å; R317-F319 HydrophobicContact CG-CD1 4.25Å; R317-F319 HydrophobicContact CG-CD2 4.23Å; R317-F319 HydrophobicContact CG-CE1 3.9Å; R317-F319 HydrophobicContact CG-CE2 3.87Å; R317-F319 HydrophobicContact CG-CG 4.41Å; R317-F319 HydrophobicContact CG-CZ 3.7Å; R317-I337 HydrophobicContact CB-CD1 4.24Å; R317-I337 HydrophobicContact CG-CD1 3.92Å; R317-N345 PolarHBondContact N-OD1 3.1Å
318	K	98.7	Very high	98.5	Very high	78 Å²	78	47.8 Å²	47.8	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.1	58	-175.6	-54.8	-170.8	179.1	174.2	0	112.8	D316 A320 N345 I372	D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 2.99Å; D316-K318 WeakPolarHBondContact OD1-CE 3.41Å; D316-K318 VanDerWaalsContact OD1-CG 3.31Å; D316-K318 WeakPolarHBondContact OD1-CG 3.42Å; K318-A320 PolarHBondContact O-N 2.92Å; K318-N345 VanDerWaalsContact CA-OD1 3.26Å; K318-N345 WeakPolarHBondContact CA-OD1 3.2Å; K318-N345 PolarHBondContact N-OD1 3.25Å; K318-I372 HydrophobicContact CB-CD1 3.87Å; K318-I372 HydrophobicContact CD-CD1 4.02Å; K318-I372 HydrophobicContact CG-CD1 3.71Å
319	F	98.8	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	130.2	178.6	-70.3	-80.3	0	0	0	111.3	R317 V326 Q329 Y330 I337 V344 N345 A346 H347 L358	R317-F319 HydrophobicContact CB-CD2 4.12Å; R317-F319 HydrophobicContact CB-CE2 3.76Å; R317-F319 HydrophobicContact CB-CZ 4.07Å; R317-F319 HydrophobicContact CG-CD1 4.25Å; R317-F319 HydrophobicContact CG-CD2 4.23Å; R317-F319 HydrophobicContact CG-CE1 3.9Å; R317-F319 HydrophobicContact CG-CE2 3.87Å; R317-F319 HydrophobicContact CG-CG 4.41Å; R317-F319 HydrophobicContact CG-CZ 3.7Å; F319-V326 HydrophobicContact CB-CB 4.49Å; F319-V326 HydrophobicContact CB-CG1 4.1Å; F319-V326 HydrophobicContact CD1-CB 4.05Å; F319-V326 HydrophobicContact CD1-CG1 4.13Å; F319-Q329 HydrophobicContact CD1-CB 4.25Å; F319-Q329 HydrophobicContact CE1-CB 3.67Å; F319-Y330 HydrophobicContact CE2-CD2 4.15Å; F319-Y330 AromaticContact CZ-CD2 3.95Å; F319-Y330 HydrophobicContact CZ-CD2 3.95Å; F319-Y330 HydrophobicContact CZ-CG 4.2Å; F319-I337 HydrophobicContact CZ-CD1 3.99Å; F319-V344 HydrophobicContact CD2-CB 4.36Å; F319-V344 HydrophobicContact CE2-CB 3.98Å; F319-V344 HydrophobicContact CE2-CG1 4.07Å; F319-V344 HydrophobicContact CE2-CG2 4.28Å; F319-N345 WeakPolarHBondContact CD2-O 3.46Å; F319-N345 PolarHBondContact N-O 3.11Å; F319-A346 HydrophobicContact CB-CB 4.12Å; F319-A346 CarbonylContact O-C 3.57Å; F319-A346 VanDerWaalsContact O-CA 3.27Å; F319-A346 WeakPolarHBondContact O-CA 3.39Å; F319-H347 PolarHBondContact O-N 3.21Å; F319-L358 HydrophobicContact CB-CD1 4.06Å; F319-L358 HydrophobicContact CB-CD2 4.5Å; F319-L358 HydrophobicContact CD1-CD2 4.13Å; F319-L358 HydrophobicContact CD2-CD1 4.12Å; F319-L358 HydrophobicContact CD2-CD2 3.88Å; F319-L358 HydrophobicContact CE1-CD2 4.29Å; F319-L358 HydrophobicContact CE2-CD2 4.06Å; F319-L358 HydrophobicContact CG-CD1 4.21Å; F319-L358 HydrophobicContact CG-CD2 3.92Å; F319-L358 HydrophobicContact CZ-CD2 4.26Å
320	A	98.5	Very high	98.5	Very high	52 Å²	52	42.1 Å²	42.1	43%	0.43	22%	0.217	S	C	.	.			trans	-147.8	30.8	-171.3	0	0	0	0	0	113.1	K318 H347 P350	K318-A320 PolarHBondContact O-N 2.92Å; A320-H347 HydrophobicContact CB-CB 3.95Å; A320-P350 VanDerWaalsContact C-CG 3.48Å; A320-P350 WeakPolarHBondContact O-CG 3.22Å
321	D	98.5	Very high	98.5	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.225	S	C	.	.	S	Bend	trans	-117.5	175.6	-179.2	-148.6	-49	0	0	0	110.7	T325 V326	D321-T325 HydrophobicContact CB-CG2 4.23Å; D321-V326 HydrophobicContact CB-CG1 3.62Å; D321-V326 WeakPolarHBondContact O-CG1 3.31Å
322	I	97.3	Very high	98.3	Very high	105 Å²	105	45.1 Å²	45.1	54%	0.538	24%	0.236	S	C	.	.			trans	-63.8	154.9	173.8	64.7	169.8	0	0	0	111.2	N324 T325 V326	I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.45Å; I322-N324 VanDerWaalsContact O-N 3.14Å; I322-T325 WeakPolarHBondContact CG1-OG1 3.25Å; I322-T325 PolarHBondContact O-N 3.09Å; I322-V326 PolarHBondContact O-N 3.35Å; I322-V326 VanDerWaalsContact O-N 3.09Å
323	G	96.8	Very high	98.2	Very high	16 Å²	16	47.9 Å²	47.9	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-51.3	-42.3	-171.5	0	0	0	0	0	115.5	V326 K327 G353 G357	G323-V326 WeakPolarHBondContact O-CG2 3.18Å; G323-K327 WeakPolarHBondContact O-CB 3.24Å; G323-K327 PolarHBondContact O-N 2.93Å; G323-K327 VanDerWaalsContact O-N 3.13Å; G323-G353 WeakPolarHBondContact CA-O 3.2Å; G323-G357 VanDerWaalsContact O-CA 3.31Å; G323-G357 WeakPolarHBondContact O-CA 3.47Å
324	N	97.1	Very high	98.2	Very high	106 Å²	106	53.5 Å²	53.5	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-67.4	-39.8	-178.8	-165.6	70.6	0	0	0	112.2	I322 K327 H328	I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.45Å; I322-N324 VanDerWaalsContact O-N 3.14Å; N324-K327 WeakPolarHBondContact O-CB 3.43Å; N324-H328 PolarHBondContact O-CD2 3.19Å; N324-H328 PolarHBondContact O-N 3.11Å
325	T	98.4	Very high	98.1	Very high	47 Å²	47	56.4 Å²	56.4	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-69	-48.2	179.6	-50.6	0	0	0	0	110.9	D321 I322 K327 H328 Q329	D321-T325 HydrophobicContact CB-CG2 4.23Å; I322-T325 WeakPolarHBondContact CG1-OG1 3.25Å; I322-T325 PolarHBondContact O-N 3.09Å; T325-K327 PolarHBondContact O-N 3.3Å; T325-H328 PolarHBondContact O-N 2.87Å; T325-H328 VanDerWaalsContact O-N 3.12Å; T325-Q329 HydrophobicContact CG2-CG 4.32Å; T325-Q329 WeakPolarHBondContact O-CG 3.24Å; T325-Q329 PolarHBondContact O-N 3.27Å
326	V	98.7	Very high	98.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-28.9	-179.5	-60.1	0	0	0	0	112.7	F319 D321 I322 G323 Q329 Y330 V354 L358	F319-V326 HydrophobicContact CB-CB 4.49Å; F319-V326 HydrophobicContact CB-CG1 4.1Å; F319-V326 HydrophobicContact CD1-CB 4.05Å; F319-V326 HydrophobicContact CD1-CG1 4.13Å; D321-V326 HydrophobicContact CB-CG1 3.62Å; D321-V326 WeakPolarHBondContact O-CG1 3.31Å; I322-V326 PolarHBondContact O-N 3.35Å; I322-V326 VanDerWaalsContact O-N 3.09Å; G323-V326 WeakPolarHBondContact O-CG2 3.18Å; V326-Q329 PolarHBondContact O-N 2.82Å; V326-Y330 VanDerWaalsContact O-CB 3.22Å; V326-Y330 WeakPolarHBondContact O-CB 3.47Å; V326-Y330 PolarHBondContact O-N 3.27Å; V326-V354 HydrophobicContact CG1-CG2 4.03Å; V326-V354 HydrophobicContact CG2-CG2 4.12Å; V326-L358 HydrophobicContact CB-CD2 4.04Å; V326-L358 HydrophobicContact CB-CG 4.29Å; V326-L358 HydrophobicContact CG2-CD2 4.21Å; V326-L358 HydrophobicContact CG2-CG 3.98Å
327	K	98.6	Very high	98.1	Very high	74 Å²	74	61.4 Å²	61.4	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-52.4	171.6	-171.2	-169.7	172.3	-175.7	0	110.9	G323 N324 T325 Y330 E331 V361	G323-K327 WeakPolarHBondContact O-CB 3.24Å; G323-K327 PolarHBondContact O-N 2.93Å; G323-K327 VanDerWaalsContact O-N 3.13Å; N324-K327 WeakPolarHBondContact O-CB 3.43Å; T325-K327 PolarHBondContact O-N 3.3Å; K327-Y330 PolarHBondContact O-N 3.1Å; K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 PolarHBondContact O-N 3.01Å; K327-V361 HydrophobicContact CD-CG2 4.37Å; K327-V361 HydrophobicContact CG-CG2 3.52Å
328	H	98.4	Very high	98.1	Very high	109 Å²	109	57.7 Å²	57.7	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-36.2	179.7	-67	-57.3	0	0	0	113	N324 T325 Y330 G332	N324-H328 PolarHBondContact O-CD2 3.19Å; N324-H328 PolarHBondContact O-N 3.11Å; T325-H328 PolarHBondContact O-N 2.87Å; T325-H328 VanDerWaalsContact O-N 3.12Å; H328-Y330 VanDerWaalsContact C-N 3.28Å; H328-Y330 PolarHBondContact O-N 3.12Å; H328-G332 WeakPolarHBondContact O-CA 3.35Å; H328-G332 PolarHBondContact O-N 3.23Å
329	Q	98.7	Very high	98.1	Very high	67 Å²	67	56.5 Å²	56.5	31%	0.313	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-33.8	175.5	-68	170.9	-20	0	0	112.1	F319 T325 V326	F319-Q329 HydrophobicContact CD1-CB 4.25Å; F319-Q329 HydrophobicContact CE1-CB 3.67Å; T325-Q329 HydrophobicContact CG2-CG 4.32Å; T325-Q329 WeakPolarHBondContact O-CG 3.24Å; T325-Q329 PolarHBondContact O-N 3.27Å; V326-Q329 PolarHBondContact O-N 2.82Å
330	Y	98.8	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-81.6	-43.6	-178.8	-175.9	-143.5	0	0	0	112.8	F319 V326 K327 H328 I337 S338 V344 L358 V361 R367	F319-Y330 HydrophobicContact CE2-CD2 4.15Å; F319-Y330 AromaticContact CZ-CD2 3.95Å; F319-Y330 HydrophobicContact CZ-CD2 3.95Å; F319-Y330 HydrophobicContact CZ-CG 4.2Å; V326-Y330 VanDerWaalsContact O-CB 3.22Å; V326-Y330 WeakPolarHBondContact O-CB 3.47Å; V326-Y330 PolarHBondContact O-N 3.27Å; K327-Y330 PolarHBondContact O-N 3.1Å; H328-Y330 VanDerWaalsContact C-N 3.28Å; H328-Y330 PolarHBondContact O-N 3.12Å; Y330-I337 HydrophobicContact CD2-CB 3.95Å; Y330-I337 HydrophobicContact CD2-CG2 3.95Å; Y330-I337 HydrophobicContact CE2-CB 4.3Å; Y330-I337 HydrophobicContact CE2-CG2 3.93Å; Y330-I337 PolarHBondContact O-N 2.8Å; Y330-I337 VanDerWaalsContact O-N 3.11Å; Y330-S338 VanDerWaalsContact CZ-CB 3.49Å; Y330-S338 PolarHBondContact O-N 3.4Å; Y330-S338 PolarHBondContact O-OG 3.24Å; Y330-V344 HydrophobicContact CD2-CG1 4.07Å; Y330-V344 HydrophobicContact CE2-CB 4.4Å; Y330-V344 HydrophobicContact CE2-CG1 3.46Å; Y330-V344 VanDerWaalsContact CE2-CG1 3.46Å; Y330-V344 HydrophobicContact CE2-CG2 4.08Å; Y330-L358 HydrophobicContact CD1-CB 4.45Å; Y330-L358 HydrophobicContact CD1-CD2 3.76Å; Y330-L358 HydrophobicContact CG-CD2 3.78Å; Y330-V361 HydrophobicContact CD1-CB 3.9Å; Y330-V361 HydrophobicContact CD1-CG1 3.95Å; Y330-V361 HydrophobicContact CE1-CB 4.23Å; Y330-V361 HydrophobicContact CE1-CG1 4.17Å; Y330-R367 VanDerWaalsContact OH-CB 3.3Å; Y330-R367 WeakPolarHBondContact OH-CB 3.35Å; Y330-R367 WeakPolarHBondContact OH-CG 3.42Å
331	E	98.5	Very high	98.1	Very high	98 Å²	98	54.1 Å²	54.1	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-82.1	-37.1	-176.8	-172.6	173.1	-148.1	0	0	113.5	K327 V361	K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 PolarHBondContact O-N 3.01Å; E331-V361 HydrophobicContact CB-CG1 3.81Å; E331-V361 HydrophobicContact CB-CG2 3.9Å; E331-V361 HydrophobicContact CG-CG1 4.05Å; E331-V361 HydrophobicContact CG-CG2 4.34Å
332	G	96	Very high	98.1	Very high	25 Å²	25	52.7 Å²	52.7	26%	0.258	29%	0.291	S	S	.	.	S	Bend	trans	-114.1	-151.1	-165.5	0	0	0	0	0	114.3	H328 R336	H328-G332 WeakPolarHBondContact O-CA 3.35Å; H328-G332 PolarHBondContact O-N 3.23Å; G332-R336 WeakPolarHBondContact O-CA 3.31Å; G332-R336 PolarHBondContact O-N 2.96Å; G332-R336 VanDerWaalsContact O-N 3.09Å
333	G	96.9	Very high	98.2	Very high	67 Å²	67	47.7 Å²	47.7	69%	0.691	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-164.6	-176.5	0	0	0	0	0	113	R336	G333-R336 WeakPolarHBondContact O-CG 3.43Å
334	V	97.7	Very high	98.3	Very high	117 Å²	117	46.9 Å²	46.9	71%	0.709	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-37	178.5	177.1	0	0	0	0	111.1	F294	F294-V334 HydrophobicContact CD1-CG1 4.47Å
335	F	98.4	Very high	98.4	Very high	61 Å²	61	41.9 Å²	41.9	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-27.9	-170.5	-58.6	-59.2	0	0	0	114.6	C288 D289 F294 I337 W340	C288-F335 HydrophobicContact CB-CD1 4.02Å; C288-F335 HydrophobicContact CB-CE1 4.35Å; C288-F335 WeakPolarHBondContact O-CE1 3.42Å; C288-F335 VanDerWaalsContact SG-CD1 3.58Å; C288-F335 VanDerWaalsContact SG-CG 3.51Å; D289-F335 HydrophobicContact CB-CE2 4.24Å; D289-F335 HydrophobicContact CB-CZ 4.24Å; F294-F335 HydrophobicContact CB-CD1 4.44Å; F294-F335 HydrophobicContact CB-CE1 4.06Å; F294-F335 AromaticContact CD1-CD1 3.59Å; F294-F335 HydrophobicContact CD1-CD1 3.59Å; F294-F335 HydrophobicContact CD1-CE1 4Å; F294-F335 HydrophobicContact CD2-CD1 4.1Å; F294-F335 HydrophobicContact CD2-CE1 4.42Å; F294-F335 HydrophobicContact CE1-CB 4.49Å; F294-F335 AromaticContact CE1-CD1 3.78Å; F294-F335 HydrophobicContact CE1-CD1 3.78Å; F294-F335 HydrophobicContact CE2-CD1 4.25Å; F294-F335 AromaticContact CG-CD1 3.77Å; F294-F335 HydrophobicContact CG-CD1 3.77Å; F294-F335 AromaticContact CG-CE1 3.89Å; F294-F335 HydrophobicContact CG-CE1 3.89Å; F294-F335 HydrophobicContact CZ-CD1 4.1Å; F335-I337 HydrophobicContact CB-CD1 4.46Å; F335-I337 HydrophobicContact CB-CG1 3.78Å; F335-I337 PolarHBondContact O-N 3.1Å; F335-I337 VanDerWaalsContact O-N 3.11Å; F335-W340 PolarHBondContact O-NE1 3Å
336	R	98.4	Very high	98.4	Very high	119 Å²	119	39.6 Å²	39.6	45%	0.449	22%	0.217	S	C	.	.			trans	40.9	50.4	-177.4	-59.2	-179.2	-176.8	158.7	1.5	112.2	E296 G332 G333 S338 S339	E296-R336 IonicContact OE1-NH1 2.61Å; E296-R336 PolarHBondContact OE1-NH1 3.25Å; E296-R336 IonicContact OE2-NH1 3.2Å; E296-R336 PolarHBondContact OE2-NH1 3.14Å; G332-R336 WeakPolarHBondContact O-CA 3.31Å; G332-R336 PolarHBondContact O-N 2.96Å; G332-R336 VanDerWaalsContact O-N 3.09Å; G333-R336 WeakPolarHBondContact O-CG 3.43Å; R336-S338 PolarHBondContact O-N 3.44Å; R336-S339 WeakPolarHBondContact O-CB 3.41Å; R336-S339 PolarHBondContact O-N 3.06Å; R336-S339 PolarHBondContact O-OG 3.31Å
337	I	98.8	Very high	98.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-51.5	-37.5	-164.1	-63.6	168	0	0	0	112.4	E315 R317 F319 Y330 F335 S339 W340 S341 V344	E315-I337 HydrophobicContact CB-CG2 3.75Å; E315-I337 HydrophobicContact CG-CD1 4.1Å; E315-I337 HydrophobicContact CG-CG1 4.28Å; E315-I337 HydrophobicContact CG-CG2 3.65Å; R317-I337 HydrophobicContact CB-CD1 4.24Å; R317-I337 HydrophobicContact CG-CD1 3.92Å; F319-I337 HydrophobicContact CZ-CD1 3.99Å; Y330-I337 HydrophobicContact CD2-CB 3.95Å; Y330-I337 HydrophobicContact CD2-CG2 3.95Å; Y330-I337 HydrophobicContact CE2-CB 4.3Å; Y330-I337 HydrophobicContact CE2-CG2 3.93Å; Y330-I337 PolarHBondContact O-N 2.8Å; Y330-I337 VanDerWaalsContact O-N 3.11Å; F335-I337 HydrophobicContact CB-CD1 4.46Å; F335-I337 HydrophobicContact CB-CG1 3.78Å; F335-I337 PolarHBondContact O-N 3.1Å; F335-I337 VanDerWaalsContact O-N 3.11Å; I337-S339 PolarHBondContact O-N 3.33Å; I337-W340 HydrophobicContact CG1-CZ2 4.45Å; I337-W340 PolarHBondContact O-N 3.13Å; I337-S341 WeakPolarHBondContact O-CB 3.49Å; I337-S341 PolarHBondContact O-N 3.46Å; I337-V344 HydrophobicContact CG2-CG1 3.73Å
338	S	98.4	Very high	98.4	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-21.5	-180	66.8	0	0	0	0	114.8	Y330 R336 V361 R367	Y330-S338 VanDerWaalsContact CZ-CB 3.49Å; Y330-S338 PolarHBondContact O-N 3.4Å; Y330-S338 PolarHBondContact O-OG 3.24Å; R336-S338 PolarHBondContact O-N 3.44Å; S338-V361 WeakPolarHBondContact OG-CG1 3.24Å; S338-R367 PolarHBondContact O-NE 2.93Å; S338-R367 VanDerWaalsContact O-NE 3.12Å; S338-R367 PolarHBondContact O-NH2 3.21Å
339	S	98.4	Very high	98.3	Very high	54 Å²	54	37.8 Å²	37.8	38%	0.378	22%	0.218	S	C	.	.	H	α-helix	trans	-73.7	-27.3	-178.1	73.5	0	0	0	0	112.9	R336 I337 R367	R336-S339 WeakPolarHBondContact O-CB 3.41Å; R336-S339 PolarHBondContact O-N 3.06Å; R336-S339 PolarHBondContact O-OG 3.31Å; I337-S339 PolarHBondContact O-N 3.33Å; S339-R367 PolarHBondContact O-NH2 3.27Å
340	W	98.6	Very high	98.3	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-126.9	-29.9	-173	59.8	-91.2	0	0	0	114.6	C288 F294 L302 Q303 I313 E315 F335 I337	C288-W340 HydrophobicContact CB-CH2 4.09Å; C288-W340 HydrophobicContact CB-CZ2 3.89Å; F294-W340 HydrophobicContact CE2-CZ2 4.21Å; F294-W340 AromaticContact CZ-NE1 3.95Å; L302-W340 HydrophobicContact CD2-CZ3 4.44Å; Q303-W340 HydrophobicContact CG-CB 3.96Å; I313-W340 HydrophobicContact CG2-CE3 3.8Å; I313-W340 HydrophobicContact CG2-CZ3 3.55Å; E315-W340 HydrophobicContact CB-CH2 3.89Å; E315-W340 HydrophobicContact CB-CZ2 4.47Å; E315-W340 HydrophobicContact CB-CZ3 4.41Å; E315-W340 HydrophobicContact CG-CH2 4.12Å; E315-W340 HydrophobicContact CG-CZ2 4.41Å; E315-W340 WeakPolarHBondContact OE2-CH2 3.41Å; F335-W340 PolarHBondContact O-NE1 3Å; I337-W340 HydrophobicContact CG1-CZ2 4.45Å; I337-W340 PolarHBondContact O-N 3.13Å
341	S	98.8	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.228	C	C	.	.			trans	-80.4	129.3	-179.9	-167.5	0	0	0	0	111.2	I313 E315 I337 I343 R367	I313-S341 PolarHBondContact O-OG 2.98Å; E315-S341 WeakPolarHBondContact CB-OG 3.46Å; E315-S341 PolarHBondContact N-OG 3.4Å; I337-S341 WeakPolarHBondContact O-CB 3.49Å; I337-S341 PolarHBondContact O-N 3.46Å; S341-I343 PolarHBondContact OG-O 2.97Å; S341-R367 VanDerWaalsContact O-CD 3.25Å; S341-R367 WeakPolarHBondContact O-CD 3.04Å; S341-R367 PolarHBondContact O-NE 2.97Å
342	H	98.9	Very high	98	Very high	32 Å²	32	36.8 Å²	36.8	15%	0.148	23%	0.23	C	C	.	.	S	Bend	trans	-72.1	-41.8	175.3	-60.2	92.6	0	0	0	110.8	L243 L312 I313 R367 G368	L243-H342 HydrophobicContact CD1-CB 4.29Å; L243-H342 HydrophobicContact CD2-CB 4.28Å; L243-H342 WeakPolarHBondContact CD2-O 3.14Å; L312-H342 HydrophobicContact CB-CB 4.32Å; L312-H342 HydrophobicContact CD2-CB 4.4Å; I313-H342 PolarHBondContact N-ND1 3.3Å; I313-H342 WeakPolarHBondContact O-CA 3.3Å; I313-H342 WeakPolarHBondContact O-CB 3.25Å; I313-H342 PolarHBondContact O-N 3.03Å; H342-R367 WeakPolarHBondContact O-CA 3.27Å; H342-G368 PolarHBondContact O-N 2.91Å; H342-G368 VanDerWaalsContact O-N 3.1Å
343	I	98.9	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.7	-174.4	-60	169.2	0	0	0	109.4	L243 M283 L312 I313 F314 E315 S341 G368 L370 I402	L243-I343 HydrophobicContact CD2-CG1 3.71Å; M283-I343 HydrophobicContact CE-CD1 3.38Å; M283-I343 HydrophobicContact SD-CD1 4.14Å; L312-I343 HydrophobicContact CB-CD1 4.46Å; L312-I343 HydrophobicContact CD1-CD1 3.95Å; I313-I343 PolarHBondContact O-N 3.39Å; F314-I343 WeakPolarHBondContact CA-O 3.48Å; F314-I343 HydrophobicContact CB-CB 4.07Å; F314-I343 HydrophobicContact CB-CG2 4.43Å; F314-I343 HydrophobicContact CD2-CB 4.17Å; F314-I343 HydrophobicContact CD2-CG2 3.82Å; F314-I343 HydrophobicContact CE2-CG2 4.42Å; F314-I343 HydrophobicContact CG-CB 4.32Å; F314-I343 HydrophobicContact CG-CG2 4.15Å; E315-I343 PolarHBondContact N-O 2.97Å; S341-I343 PolarHBondContact OG-O 2.97Å; I343-G368 WeakPolarHBondContact CA-O 3.49Å; I343-L370 HydrophobicContact CG2-CD1 3.74Å; I343-L370 HydrophobicContact CG2-CG 3.79Å; I343-I402 HydrophobicContact CD1-CD1 3.82Å; I343-I402 HydrophobicContact CG1-CD1 3.91Å; I343-I402 HydrophobicContact CG2-CD1 4.31Å
344	V	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	171	165	-66.8	0	0	0	0	109.8	E315 F319 Y330 I337 G368 C369 L370	E315-V344 HydrophobicContact CB-CG1 4.41Å; F319-V344 HydrophobicContact CD2-CB 4.36Å; F319-V344 HydrophobicContact CE2-CB 3.98Å; F319-V344 HydrophobicContact CE2-CG1 4.07Å; F319-V344 HydrophobicContact CE2-CG2 4.28Å; Y330-V344 HydrophobicContact CD2-CG1 4.07Å; Y330-V344 HydrophobicContact CE2-CB 4.4Å; Y330-V344 HydrophobicContact CE2-CG1 3.46Å; Y330-V344 VanDerWaalsContact CE2-CG1 3.46Å; Y330-V344 HydrophobicContact CE2-CG2 4.08Å; I337-V344 HydrophobicContact CG2-CG1 3.73Å; V344-G368 PolarHBondContact N-O 2.84Å; V344-G368 VanDerWaalsContact N-O 3.11Å; V344-C369 CarbonylContact O-C 3.54Å; V344-C369 VanDerWaalsContact O-CA 3.3Å; V344-C369 WeakPolarHBondContact O-CA 3.44Å; V344-L370 PolarHBondContact O-N 2.95Å
345	N	98.9	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.3	171.6	66.6	-6	0	0	0	113.4	F314 D316 R317 K318 F319 L370 I372 I405	F314-N345 HydrophobicContact CE2-CB 3.82Å; F314-N345 HydrophobicContact CZ-CB 3.92Å; D316-N345 PolarHBondContact OD1-ND2 2.64Å; R317-N345 PolarHBondContact N-OD1 3.1Å; K318-N345 VanDerWaalsContact CA-OD1 3.26Å; K318-N345 WeakPolarHBondContact CA-OD1 3.2Å; K318-N345 PolarHBondContact N-OD1 3.25Å; F319-N345 WeakPolarHBondContact CD2-O 3.46Å; F319-N345 PolarHBondContact N-O 3.11Å; N345-L370 CarbonylContact C-O 3.6Å; N345-L370 WeakPolarHBondContact CA-O 3.33Å; N345-L370 HydrophobicContact CB-CB 4.08Å; N345-L370 VanDerWaalsContact CB-O 3.26Å; N345-L370 WeakPolarHBondContact CB-O 3.47Å; N345-I372 HydrophobicContact CB-CG1 4.31Å; N345-I405 HydrophobicContact CB-CG1 4.27Å
346	A	98.9	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.5	-179.9	0	0	0	0	0	112.2	F319 V354 L358 L370 L371 I372	F319-A346 HydrophobicContact CB-CB 4.12Å; F319-A346 CarbonylContact O-C 3.57Å; F319-A346 VanDerWaalsContact O-CA 3.27Å; F319-A346 WeakPolarHBondContact O-CA 3.39Å; A346-V354 HydrophobicContact CB-CG2 4.13Å; A346-L358 HydrophobicContact CB-CD1 3.76Å; A346-L370 PolarHBondContact N-O 3.3Å; A346-L371 HydrophobicContact CB-CD2 4.15Å; A346-L371 WeakPolarHBondContact O-CA 3.33Å; A346-I372 PolarHBondContact O-N 2.85Å
347	H	98.8	Very high	98.3	Very high	31 Å²	31	27.8 Å²	27.8	14%	0.144	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.4	164.3	-79.8	-70.3	0	0	0	110.2	F319 A320 V349 P350 Y386	F319-H347 PolarHBondContact O-N 3.21Å; A320-H347 HydrophobicContact CB-CB 3.95Å; H347-V349 VanDerWaalsContact C-N 3.3Å; H347-V349 HydrophobicContact CB-CG1 4.23Å; H347-P350 WeakPolarHBondContact O-CD 3.45Å; H347-Y386 PolarHBondContact ND1-OH 2.8Å
348	A	97.6	Very high	98.3	Very high	11 Å²	11	27.7 Å²	27.7	9%	0.091	17%	0.169	C	C	.	.	S	Bend	trans	-85.5	-0.5	176.7	0	0	0	0	0	113.7	P350 G351 Y386 V390 M393	A348-P350 VanDerWaalsContact C-N 3.32Å; A348-G351 PolarHBondContact O-N 3.05Å; A348-Y386 PolarHBondContact N-OH 3.31Å; A348-V390 HydrophobicContact CB-CB 4.3Å; A348-V390 HydrophobicContact CB-CG2 3.42Å; A348-V390 VanDerWaalsContact CB-CG2 3.42Å; A348-M393 HydrophobicContact CB-CE 3.77Å; A348-M393 HydrophobicContact CB-SD 4.01Å
349	V	97.6	Very high	98.3	Very high	103 Å²	103	28 Å²	28	62%	0.624	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.2	-176.6	71.3	0	0	0	0	114	H347 G351 Y386	H347-V349 VanDerWaalsContact C-N 3.3Å; H347-V349 HydrophobicContact CB-CG1 4.23Å; V349-G351 PolarHBondContact O-N 2.97Å; V349-Y386 HydrophobicContact CB-CE2 4.11Å
350	P	97.4	Very high	98.3	Very high	48 Å²	48	28.1 Å²	28.1	31%	0.312	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.9	177.5	-13.6	32.6	0	0	0	113.9	A320 H347 A348 V354	A320-P350 VanDerWaalsContact C-CG 3.48Å; A320-P350 WeakPolarHBondContact O-CG 3.22Å; H347-P350 WeakPolarHBondContact O-CD 3.45Å; A348-P350 VanDerWaalsContact C-N 3.32Å; P350-V354 HydrophobicContact CG-CB 4.43Å
351	G	96	Very high	98.3	Very high	20 Å²	20	28.4 Å²	28.4	21%	0.206	18%	0.178	C	C	.	.			trans	80.2	-177.1	-171.5	0	0	0	0	0	113.5	A348 V349 G353 V354 M393	A348-G351 PolarHBondContact O-N 3.05Å; V349-G351 PolarHBondContact O-N 2.97Å; G351-G353 PolarHBondContact O-N 3Å; G351-V354 VanDerWaalsContact O-CG1 3.26Å; G351-V354 WeakPolarHBondContact O-CG1 3.46Å; G351-V354 PolarHBondContact O-N 2.97Å; G351-M393 VanDerWaalsContact C-CE 3.5Å
352	P	96.8	Very high	98.2	Very high	76 Å²	76	28.4 Å²	28.4	49%	0.494	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.9	-169.3	26.2	-35.4	0	0	0	114.4	V354 V355 K356 M393	P352-V354 PolarHBondContact O-N 3.39Å; P352-V355 PolarHBondContact O-N 3.11Å; P352-V355 VanDerWaalsContact O-N 3.17Å; P352-K356 PolarHBondContact O-N 2.88Å; P352-M393 HydrophobicContact CB-CE 4.3Å; P352-M393 HydrophobicContact CB-CG 4.39Å
353	G	97.6	Very high	98.2	Very high	33 Å²	33	30.6 Å²	30.6	34%	0.34	19%	0.187	S	C	.	.	H	α-helix	trans	-56.5	-32.8	174	0	0	0	0	0	113.2	G323 G351 K356 G357	G323-G353 WeakPolarHBondContact CA-O 3.2Å; G351-G353 PolarHBondContact O-N 3Å; G353-K356 PolarHBondContact O-N 3.23Å; G353-G357 PolarHBondContact O-N 3.32Å
354	V	98.6	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-45.7	176.6	71.3	0	0	0	0	111.5	V326 A346 P350 G351 P352 G357 L358	V326-V354 HydrophobicContact CG1-CG2 4.03Å; V326-V354 HydrophobicContact CG2-CG2 4.12Å; A346-V354 HydrophobicContact CB-CG2 4.13Å; P350-V354 HydrophobicContact CG-CB 4.43Å; G351-V354 VanDerWaalsContact O-CG1 3.26Å; G351-V354 WeakPolarHBondContact O-CG1 3.46Å; G351-V354 PolarHBondContact O-N 2.97Å; P352-V354 PolarHBondContact O-N 3.39Å; V354-G357 PolarHBondContact O-N 2.91Å; V354-L358 HydrophobicContact CG2-CD1 4.41Å; V354-L358 WeakPolarHBondContact O-CG 3.41Å; V354-L358 PolarHBondContact O-N 3.23Å; V354-L358 VanDerWaalsContact O-N 3.1Å
355	V	98.6	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-41.5	178.3	-178	0	0	0	0	110.4	P352 G357 L358 S359 L371 M393 N397 F400 V401	P352-V355 PolarHBondContact O-N 3.11Å; P352-V355 VanDerWaalsContact O-N 3.17Å; V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 3.17Å; V355-L358 PolarHBondContact O-N 3.11Å; V355-S359 WeakPolarHBondContact O-CB 3.08Å; V355-S359 PolarHBondContact O-N 3.09Å; V355-S359 PolarHBondContact O-OG 3.45Å; V355-L371 HydrophobicContact CG2-CD1 4.39Å; V355-L371 HydrophobicContact CG2-CD2 3.68Å; V355-M393 HydrophobicContact CG2-CG 4.12Å; V355-M393 HydrophobicContact CG2-SD 3.66Å; V355-N397 HydrophobicContact CG1-CB 3.74Å; V355-F400 HydrophobicContact CG1-CD1 4.13Å; V355-V401 HydrophobicContact CG1-CG2 3.75Å; V355-V401 HydrophobicContact CG2-CG2 4.44Å
356	K	98.3	Very high	98.1	Very high	158 Å²	158	41.8 Å²	41.8	69%	0.687	26%	0.262	S	S	*	.	H	α-helix	trans	-58.2	-44.7	175.8	-171.9	176.8	-179.4	178.4	0	111.9	P352 G353 S359 A360	P352-K356 PolarHBondContact O-N 2.88Å; G353-K356 PolarHBondContact O-N 3.23Å; K356-S359 PolarHBondContact O-OG 3.38Å; K356-S359 VanDerWaalsContact O-OG 3.04Å; K356-A360 PolarHBondContact O-N 3.32Å
357	G	98.5	Very high	98	Very high	8 Å²	8	43.2 Å²	43.2	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-50.2	177.4	0	0	0	0	0	113.1	G323 G353 V354 V355 A360	G323-G357 VanDerWaalsContact O-CA 3.31Å; G323-G357 WeakPolarHBondContact O-CA 3.47Å; G353-G357 PolarHBondContact O-N 3.32Å; V354-G357 PolarHBondContact O-N 2.91Å; V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 3.17Å; G357-A360 PolarHBondContact O-N 3.2Å
358	L	98.8	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-43.5	179.4	-67.3	173.1	0	0	0	112.2	F319 V326 Y330 A346 V354 V355 A360 V361 G362 F400	F319-L358 HydrophobicContact CB-CD1 4.06Å; F319-L358 HydrophobicContact CB-CD2 4.5Å; F319-L358 HydrophobicContact CD1-CD2 4.13Å; F319-L358 HydrophobicContact CD2-CD1 4.12Å; F319-L358 HydrophobicContact CD2-CD2 3.88Å; F319-L358 HydrophobicContact CE1-CD2 4.29Å; F319-L358 HydrophobicContact CE2-CD2 4.06Å; F319-L358 HydrophobicContact CG-CD1 4.21Å; F319-L358 HydrophobicContact CG-CD2 3.92Å; F319-L358 HydrophobicContact CZ-CD2 4.26Å; V326-L358 HydrophobicContact CB-CD2 4.04Å; V326-L358 HydrophobicContact CB-CG 4.29Å; V326-L358 HydrophobicContact CG2-CD2 4.21Å; V326-L358 HydrophobicContact CG2-CG 3.98Å; Y330-L358 HydrophobicContact CD1-CB 4.45Å; Y330-L358 HydrophobicContact CD1-CD2 3.76Å; Y330-L358 HydrophobicContact CG-CD2 3.78Å; A346-L358 HydrophobicContact CB-CD1 3.76Å; V354-L358 HydrophobicContact CG2-CD1 4.41Å; V354-L358 WeakPolarHBondContact O-CG 3.41Å; V354-L358 PolarHBondContact O-N 3.23Å; V354-L358 VanDerWaalsContact O-N 3.1Å; V355-L358 PolarHBondContact O-N 3.11Å; L358-A360 VanDerWaalsContact C-N 3.26Å; L358-A360 PolarHBondContact O-N 3.4Å; L358-V361 PolarHBondContact O-N 3.48Å; L358-V361 VanDerWaalsContact O-N 3.12Å; L358-G362 PolarHBondContact O-N 3.48Å; L358-F400 HydrophobicContact CB-CE1 3.67Å; L358-F400 HydrophobicContact CB-CZ 3.99Å
359	S	98.5	Very high	98.1	Very high	13 Å²	13	41.2 Å²	41.2	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-28.7	-177.9	68.3	0	0	0	0	113.3	V355 K356 V361 K363 F400	V355-S359 WeakPolarHBondContact O-CB 3.08Å; V355-S359 PolarHBondContact O-N 3.09Å; V355-S359 PolarHBondContact O-OG 3.45Å; K356-S359 PolarHBondContact O-OG 3.38Å; K356-S359 VanDerWaalsContact O-OG 3.04Å; S359-V361 PolarHBondContact O-N 2.72Å; S359-K363 WeakPolarHBondContact O-CB 3.37Å; S359-K363 WeakPolarHBondContact O-CG 3.47Å; S359-K363 PolarHBondContact O-N 3.23Å; S359-F400 VanDerWaalsContact CB-CD1 3.43Å
360	A	98.5	Very high	98.2	Very high	57 Å²	57	36.3 Å²	36.3	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-22.6	176.1	0	0	0	0	0	113.2	K356 G357 L358	K356-A360 PolarHBondContact O-N 3.32Å; G357-A360 PolarHBondContact O-N 3.2Å; L358-A360 VanDerWaalsContact C-N 3.26Å; L358-A360 PolarHBondContact O-N 3.4Å
361	V	98.6	Very high	98.2	Very high	7 Å²	7	34 Å²	34	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-103.1	-43.7	176.3	176.9	0	0	0	0	110.3	K327 Y330 E331 S338 L358 S359 P364 L365	K327-V361 HydrophobicContact CD-CG2 4.37Å; K327-V361 HydrophobicContact CG-CG2 3.52Å; Y330-V361 HydrophobicContact CD1-CB 3.9Å; Y330-V361 HydrophobicContact CD1-CG1 3.95Å; Y330-V361 HydrophobicContact CE1-CB 4.23Å; Y330-V361 HydrophobicContact CE1-CG1 4.17Å; E331-V361 HydrophobicContact CB-CG1 3.81Å; E331-V361 HydrophobicContact CB-CG2 3.9Å; E331-V361 HydrophobicContact CG-CG1 4.05Å; E331-V361 HydrophobicContact CG-CG2 4.34Å; S338-V361 WeakPolarHBondContact OG-CG1 3.24Å; L358-V361 PolarHBondContact O-N 3.48Å; L358-V361 VanDerWaalsContact O-N 3.12Å; S359-V361 PolarHBondContact O-N 2.72Å; V361-P364 WeakPolarHBondContact O-CD 3.47Å; V361-L365 HydrophobicContact CG1-CD1 4.23Å; V361-L365 WeakPolarHBondContact O-CD1 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å
362	G	98.6	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.2	-38.5	-171.9	0	0	0	0	0	114.6	L358 L365 G366 R367	L358-G362 PolarHBondContact O-N 3.48Å; G362-L365 CarbonylContact O-C 3.43Å; G362-L365 PolarHBondContact O-N 2.73Å; G362-L365 VanDerWaalsContact O-N 3.14Å; G362-G366 PolarHBondContact O-N 2.86Å; G362-G366 VanDerWaalsContact O-N 3.16Å; G362-R367 WeakPolarHBondContact O-CB 3.36Å; G362-R367 PolarHBondContact O-N 3.03Å
363	K	97.8	Very high	98.4	Very high	77 Å²	77	29.6 Å²	29.6	34%	0.335	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-61.8	-48.9	-178.1	-72.6	177.7	176.9	174.7	0	112.9	S359 L365 G366 D399 F400	S359-K363 WeakPolarHBondContact O-CB 3.37Å; S359-K363 WeakPolarHBondContact O-CG 3.47Å; S359-K363 PolarHBondContact O-N 3.23Å; K363-L365 PolarHBondContact O-N 3.05Å; K363-L365 VanDerWaalsContact O-N 3.1Å; K363-G366 PolarHBondContact O-N 3.39Å; K363-D399 VanDerWaalsContact CE-OD1 3.23Å; K363-D399 WeakPolarHBondContact CE-OD1 3.31Å; K363-D399 WeakPolarHBondContact CE-OD2 3.48Å; K363-D399 IonicContact NZ-OD1 2.77Å; K363-D399 PolarHBondContact NZ-OD1 3.45Å; K363-D399 IonicContact NZ-OD2 2.58Å; K363-D399 PolarHBondContact NZ-OD2 3.21Å; K363-F400 HydrophobicContact CD-CB 4.34Å; K363-F400 VanDerWaalsContact CE-CB 3.42Å; K363-F400 HydrophobicContact CG-CB 3.94Å; K363-F400 HydrophobicContact CG-CD2 3.96Å; K363-F400 HydrophobicContact CG-CG 4.21Å
364	P	98.3	Very high	98.2	Very high	106 Å²	106	30.1 Å²	30.1	69%	0.688	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-57.5	-24.7	175.7	-25.8	34.8	0	0	0	114.2	V361	V361-P364 WeakPolarHBondContact O-CD 3.47Å
365	L	98	Very high	97.7	Very high	84 Å²	84	33.1 Å²	33.1	44%	0.44	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-97.4	4.8	-178.7	-62.5	175.3	0	0	0	113.1	V361 G362 K363 R367	V361-L365 HydrophobicContact CG1-CD1 4.23Å; V361-L365 WeakPolarHBondContact O-CD1 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å; G362-L365 CarbonylContact O-C 3.43Å; G362-L365 PolarHBondContact O-N 2.73Å; G362-L365 VanDerWaalsContact O-N 3.14Å; K363-L365 PolarHBondContact O-N 3.05Å; K363-L365 VanDerWaalsContact O-N 3.1Å; L365-R367 VanDerWaalsContact C-N 3.29Å; L365-R367 HydrophobicContact CB-CG 3.77Å; L365-R367 WeakPolarHBondContact O-CD 3.36Å; L365-R367 PolarHBondContact O-N 3.22Å
366	G	97.8	Very high	96.8	Very high	45 Å²	45	34.3 Å²	34.3	46%	0.464	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	25.1	-179.1	0	0	0	0	0	114.5	G362 K363	G362-G366 PolarHBondContact O-N 2.86Å; G362-G366 VanDerWaalsContact O-N 3.16Å; K363-G366 PolarHBondContact O-N 3.39Å
367	R	98.5	Very high	95.6	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.117	18%	0.178	C	C	.	.			trans	-87.4	159.2	-177	-50.1	-53.1	-168.7	-172.6	2.5	112.1	Y330 S338 S339 S341 H342 G362 L365 F400	Y330-R367 VanDerWaalsContact OH-CB 3.3Å; Y330-R367 WeakPolarHBondContact OH-CB 3.35Å; Y330-R367 WeakPolarHBondContact OH-CG 3.42Å; S338-R367 PolarHBondContact O-NE 2.93Å; S338-R367 VanDerWaalsContact O-NE 3.12Å; S338-R367 PolarHBondContact O-NH2 3.21Å; S339-R367 PolarHBondContact O-NH2 3.27Å; S341-R367 VanDerWaalsContact O-CD 3.25Å; S341-R367 WeakPolarHBondContact O-CD 3.04Å; S341-R367 PolarHBondContact O-NE 2.97Å; H342-R367 WeakPolarHBondContact O-CA 3.27Å; G362-R367 WeakPolarHBondContact O-CB 3.36Å; G362-R367 PolarHBondContact O-N 3.03Å; L365-R367 VanDerWaalsContact C-N 3.29Å; L365-R367 HydrophobicContact CB-CG 3.77Å; L365-R367 WeakPolarHBondContact O-CD 3.36Å; L365-R367 PolarHBondContact O-N 3.22Å; R367-F400 HydrophobicContact CB-CE2 4.39Å; R367-F400 VanDerWaalsContact O-CD2 3.3Å; R367-F400 WeakPolarHBondContact O-CD2 3.27Å; R367-F400 WeakPolarHBondContact O-CE2 3.5Å
368	G	98.6	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158	175.9	0	0	0	0	0	113	L243 H342 I343 V344 F400	L243-G368 VanDerWaalsContact CD2-N 3.32Å; H342-G368 PolarHBondContact O-N 2.91Å; H342-G368 VanDerWaalsContact O-N 3.1Å; I343-G368 WeakPolarHBondContact CA-O 3.49Å; V344-G368 PolarHBondContact N-O 2.84Å; V344-G368 VanDerWaalsContact N-O 3.11Å; G368-F400 WeakPolarHBondContact CA-O 3.33Å
369	C	98.9	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.2	176.2	-175.4	0	0	0	0	111.8	V344 F400 V401 I402	V344-C369 CarbonylContact O-C 3.54Å; V344-C369 VanDerWaalsContact O-CA 3.3Å; V344-C369 WeakPolarHBondContact O-CA 3.44Å; C369-F400 HydrophobicContact CB-CD1 3.79Å; C369-F400 HydrophobicContact CB-CE1 3.38Å; C369-F400 HydrophobicContact CB-CE2 4.45Å; C369-F400 HydrophobicContact CB-CG 4.49Å; C369-F400 HydrophobicContact CB-CZ 3.76Å; C369-F400 PolarHBondContact N-O 3.42Å; C369-V401 CarbonylContact O-C 3.26Å; C369-V401 VanDerWaalsContact O-CA 3.31Å; C369-V401 WeakPolarHBondContact O-CA 3.38Å; C369-I402 PolarHBondContact O-N 3.41Å
370	L	98.9	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.3	168.8	-60.9	168.4	0	0	0	109.4	F314 I343 V344 N345 A346 I402 G403 I405 M419	F314-L370 HydrophobicContact CD1-CD1 4.44Å; F314-L370 HydrophobicContact CE1-CD1 4.11Å; F314-L370 HydrophobicContact CE2-CD1 4.46Å; F314-L370 HydrophobicContact CZ-CD1 4.14Å; I343-L370 HydrophobicContact CG2-CD1 3.74Å; I343-L370 HydrophobicContact CG2-CG 3.79Å; V344-L370 PolarHBondContact O-N 2.95Å; N345-L370 CarbonylContact C-O 3.6Å; N345-L370 WeakPolarHBondContact CA-O 3.33Å; N345-L370 HydrophobicContact CB-CB 4.08Å; N345-L370 VanDerWaalsContact CB-O 3.26Å; N345-L370 WeakPolarHBondContact CB-O 3.47Å; A346-L370 PolarHBondContact N-O 3.3Å; L370-I402 HydrophobicContact CD2-CD1 4.27Å; L370-I402 HydrophobicContact CD2-CG1 3.74Å; L370-I402 HydrophobicContact CG-CG1 4.37Å; L370-G403 WeakPolarHBondContact CA-O 3.42Å; L370-I405 HydrophobicContact CB-CD1 4.41Å; L370-I405 HydrophobicContact CB-CG1 4.24Å; L370-I405 HydrophobicContact CD1-CD1 3.81Å; L370-M419 HydrophobicContact CD1-CE 3.96Å; L370-M419 HydrophobicContact CD1-CG 4.34Å; L370-M419 HydrophobicContact CD1-SD 3.41Å; L370-M419 WeakPolarHBondContact CD1-SD 3.38Å; L370-M419 HydrophobicContact CD2-CE 3.84Å; L370-M419 HydrophobicContact CD2-SD 4.19Å; L370-M419 HydrophobicContact CG-CE 4.5Å; L370-M419 HydrophobicContact CG-SD 4.44Å
371	L	98.8	Very high	92.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.9	171.9	-60.2	178.6	0	0	0	111.3	A346 V355 A373 V390 M393 A394 V401 G403 F404 I405	A346-L371 HydrophobicContact CB-CD2 4.15Å; A346-L371 WeakPolarHBondContact O-CA 3.33Å; V355-L371 HydrophobicContact CG2-CD1 4.39Å; V355-L371 HydrophobicContact CG2-CD2 3.68Å; L371-A373 PolarHBondContact O-N 3.42Å; L371-A373 VanDerWaalsContact O-N 3.13Å; L371-V390 HydrophobicContact CB-CG1 3.43Å; L371-V390 VanDerWaalsContact CB-CG1 3.43Å; L371-V390 HydrophobicContact CD1-CG1 4.15Å; L371-V390 HydrophobicContact CG-CG1 4.44Å; L371-M393 HydrophobicContact CD1-CB 4.02Å; L371-M393 HydrophobicContact CD1-CG 3.9Å; L371-M393 HydrophobicContact CD1-SD 3.97Å; L371-A394 HydrophobicContact CD1-CB 4.03Å; L371-V401 HydrophobicContact CD1-CG1 4.07Å; L371-V401 HydrophobicContact CD1-CG2 4.2Å; L371-V401 HydrophobicContact CG-CG1 3.85Å; L371-V401 HydrophobicContact CG-CG2 4.21Å; L371-G403 PolarHBondContact N-O 2.85Å; L371-F404 HydrophobicContact CB-CD1 4.44Å; L371-F404 CarbonylContact O-C 3.51Å; L371-F404 WeakPolarHBondContact O-CA 3.42Å; L371-I405 PolarHBondContact O-N 3.47Å
372	I	98.7	Very high	92.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	98.1	179.2	-57.1	165.5	0	0	0	108.3	K318 N345 A346 M375 Y386 I405	K318-I372 HydrophobicContact CB-CD1 3.87Å; K318-I372 HydrophobicContact CD-CD1 4.02Å; K318-I372 HydrophobicContact CG-CD1 3.71Å; N345-I372 HydrophobicContact CB-CG1 4.31Å; A346-I372 PolarHBondContact O-N 2.85Å; I372-M375 HydrophobicContact CG2-CG 3.79Å; I372-Y386 WeakPolarHBondContact O-CE1 3.43Å; I372-I405 HydrophobicContact CB-CB 4.46Å; I372-I405 HydrophobicContact CG1-CB 4.11Å; I372-I405 HydrophobicContact CG1-CG1 4.18Å; I372-I405 HydrophobicContact CG2-CB 4.47Å
373	A	97.1	Very high	91.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.289	C	S	.	.			trans	-89.2	-34.1	-176.1	0	0	0	0	0	112.5	L371 T387 V390 F404 I405 C406 M410	L371-A373 PolarHBondContact O-N 3.42Å; L371-A373 VanDerWaalsContact O-N 3.13Å; A373-T387 HydrophobicContact CB-CG2 4.28Å; A373-T387 WeakPolarHBondContact O-CB 3.49Å; A373-T387 PolarHBondContact O-OG1 3.41Å; A373-V390 HydrophobicContact CB-CB 4.16Å; A373-V390 HydrophobicContact CB-CG1 3.73Å; A373-F404 HydrophobicContact CB-CB 4.25Å; A373-F404 HydrophobicContact CB-CD1 3.96Å; A373-F404 HydrophobicContact CB-CG 4.4Å; A373-I405 PolarHBondContact N-O 2.84Å; A373-C406 HydrophobicContact CB-CB 4.38Å; A373-M410 HydrophobicContact CB-CG 4.34Å
374	Q	94.6	Very high	91.3	Very high	45 Å²	45	46.8 Å²	46.8	21%	0.21	29%	0.293	C	S	.	.			trans	-144	156.5	175.1	-62.1	172.6	-39.7	0	0	109.2	T387 I405 A407 M410	Q374-T387 HydrophobicContact CG-CG2 4Å; Q374-I405 PolarHBondContact N-O 2.88Å; Q374-A407 HydrophobicContact CB-CB 4.45Å; Q374-M410 HydrophobicContact CG-SD 4.34Å
375	M	87.4	Confident	90.8	Very high	62 Å²	62	48.6 Å²	48.6	31%	0.305	29%	0.293	S	S	.	.			trans	-123.3	149.5	173.7	-53	179.5	71.8	0	0	110.5	I372 S377 S380 A382	I372-M375 HydrophobicContact CG2-CG 3.79Å; M375-S377 VanDerWaalsContact C-N 3.29Å; M375-S380 WeakPolarHBondContact CB-OG 3.4Å; M375-A382 HydrophobicContact CG-CB 4.25Å
376	S	79.1	Confident	90.6	Very high	26 Å²	26	47.1 Å²	47.1	18%	0.182	28%	0.281	C	S	.	.	S	Bend	trans	-85.9	1.7	-179.2	50.9	0	0	0	0	114	Q434 Q435	S376-Q434 VanDerWaalsContact CB-NE2 3.34Å; S376-Q434 PolarHBondContact OG-NE2 3.12Å; S376-Q435 PolarHBondContact O-N 3.5Å
377	S	74.9	Confident	90.4	Very high	42 Å²	42	45.4 Å²	45.4	29%	0.294	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-82.2	140.5	177.6	52.6	0	0	0	0	111.8	M375 G379 S380 G433	M375-S377 VanDerWaalsContact C-N 3.29Å; S377-G379 PolarHBondContact O-N 3.19Å; S377-S380 WeakPolarHBondContact O-CB 3.38Å; S377-S380 PolarHBondContact O-N 3.48Å; S377-G433 WeakPolarHBondContact CA-O 3.4Å
378	Q	75.4	Confident	90	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	136.1	173.9	-172.7	176.4	15.8	0	0	111	S380 G433	Q378-S380 VanDerWaalsContact C-N 3.32Å; Q378-G433 PolarHBondContact N-O 2.94Å
379	G	80	Confident	89.8	Confident	69 Å²	69	50.4 Å²	50.4	71%	0.711	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	12.9	180	0	0	0	0	0	114.8	S377 L381	S377-G379 PolarHBondContact O-N 3.19Å; G379-L381 PolarHBondContact O-N 3.34Å
380	S	86.1	Confident	89.8	Confident	25 Å²	25	50.4 Å²	50.4	18%	0.175	30%	0.296	C	S	.	.			trans	-54.8	131	176.7	-173.9	0	0	0	0	112.2	M375 S377 Q378 A382 T383	M375-S380 WeakPolarHBondContact CB-OG 3.4Å; S377-S380 WeakPolarHBondContact O-CB 3.38Å; S377-S380 PolarHBondContact O-N 3.48Å; Q378-S380 VanDerWaalsContact C-N 3.32Å; S380-A382 VanDerWaalsContact C-N 3.29Å; S380-A382 WeakPolarHBondContact OG-CB 3Å; S380-A382 PolarHBondContact OG-N 3.43Å; S380-T383 WeakPolarHBondContact O-CG2 3.39Å
381	L	90.8	Very high	89.7	Confident	158 Å²	158	51.3 Å²	51.3	83%	0.827	30%	0.301	S	S	*	.			trans	-83.7	-7	172.4	-56.9	-178.2	0	0	0	112.6	G379 T383	G379-L381 PolarHBondContact O-N 3.34Å; L381-T383 PolarHBondContact O-N 2.74Å
382	A	91.4	Very high	89.6	Confident	8 Å²	8	57.1 Å²	57.1	7%	0.066	33%	0.326	C	S	.	.			trans	-77	67.3	178.2	0	0	0	0	0	110.6	M375 S380 Y386 T387	M375-A382 HydrophobicContact CG-CB 4.25Å; S380-A382 VanDerWaalsContact C-N 3.29Å; S380-A382 WeakPolarHBondContact OG-CB 3Å; S380-A382 PolarHBondContact OG-N 3.43Å; A382-Y386 VanDerWaalsContact CA-CD1 3.48Å; A382-Y386 HydrophobicContact CB-CD1 3.67Å; A382-Y386 HydrophobicContact CB-CE1 3.62Å; A382-T387 PolarHBondContact O-OG1 2.67Å
383	T	85.2	Confident	89.6	Confident	88 Å²	88	57.6 Å²	57.6	54%	0.54	33%	0.329	S	S	.	.			trans	-135.2	164	-175.8	65.5	0	0	0	0	111	S380 L381 E385 Y386 T387	S380-T383 WeakPolarHBondContact O-CG2 3.39Å; L381-T383 PolarHBondContact O-N 2.74Å; T383-E385 PolarHBondContact O-N 3.23Å; T383-E385 VanDerWaalsContact O-N 3.14Å; T383-Y386 WeakPolarHBondContact O-CB 3.32Å; T383-Y386 PolarHBondContact O-N 3.09Å; T383-Y386 VanDerWaalsContact O-N 3.12Å; T383-T387 WeakPolarHBondContact CA-OG1 3.35Å
384	G	89.8	Confident	89.6	Confident	41 Å²	41	57.6 Å²	57.6	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	53.6	-117.9	169.1	0	0	0	0	0	114	Y386 T387 Q388	G384-Y386 VanDerWaalsContact C-N 3.34Å; G384-Y386 PolarHBondContact O-N 3.47Å; G384-T387 WeakPolarHBondContact O-CB 3.18Å; G384-T387 PolarHBondContact O-N 3.28Å; G384-Q388 WeakPolarHBondContact O-CG 3.44Å; G384-Q388 PolarHBondContact O-N 3.44Å; G384-Q388 VanDerWaalsContact O-N 3.1Å
385	E	86.9	Confident	89.7	Confident	145 Å²	145	58.6 Å²	58.6	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-34.6	-176.6	-66.1	-176.4	179.6	0	0	113.2	T383 T387 Q388 A389	T383-E385 PolarHBondContact O-N 3.23Å; T383-E385 VanDerWaalsContact O-N 3.14Å; E385-T387 VanDerWaalsContact C-N 3.31Å; E385-T387 PolarHBondContact O-N 3.45Å; E385-Q388 PolarHBondContact O-N 3.14Å; E385-A389 WeakPolarHBondContact O-CB 3.4Å; E385-A389 PolarHBondContact O-N 3.12Å
386	Y	94.4	Very high	90.1	Very high	53 Å²	53	61.4 Å²	61.4	21%	0.208	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-50	174.2	177.6	-86	0	0	0	110	H347 A348 V349 I372 A382 T383 G384 Q388 A389 V390	H347-Y386 PolarHBondContact ND1-OH 2.8Å; A348-Y386 PolarHBondContact N-OH 3.31Å; V349-Y386 HydrophobicContact CB-CE2 4.11Å; I372-Y386 WeakPolarHBondContact O-CE1 3.43Å; A382-Y386 VanDerWaalsContact CA-CD1 3.48Å; A382-Y386 HydrophobicContact CB-CD1 3.67Å; A382-Y386 HydrophobicContact CB-CE1 3.62Å; T383-Y386 WeakPolarHBondContact O-CB 3.32Å; T383-Y386 PolarHBondContact O-N 3.09Å; T383-Y386 VanDerWaalsContact O-N 3.12Å; G384-Y386 VanDerWaalsContact C-N 3.34Å; G384-Y386 PolarHBondContact O-N 3.47Å; Y386-Q388 VanDerWaalsContact C-N 3.33Å; Y386-Q388 PolarHBondContact O-N 3.34Å; Y386-A389 WeakPolarHBondContact O-CB 3.12Å; Y386-A389 PolarHBondContact O-N 3.38Å; Y386-V390 HydrophobicContact CD1-CG2 3.8Å; Y386-V390 HydrophobicContact CE1-CG2 3.5Å; Y386-V390 WeakPolarHBondContact O-CG2 3.49Å; Y386-V390 PolarHBondContact O-N 2.92Å
387	T	92.6	Very high	91	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-40.1	-179	-57.9	0	0	0	0	111.8	A373 Q374 A382 T383 G384 E385 V390 V391 M410	A373-T387 HydrophobicContact CB-CG2 4.28Å; A373-T387 WeakPolarHBondContact O-CB 3.49Å; A373-T387 PolarHBondContact O-OG1 3.41Å; Q374-T387 HydrophobicContact CG-CG2 4Å; A382-T387 PolarHBondContact O-OG1 2.67Å; T383-T387 WeakPolarHBondContact CA-OG1 3.35Å; G384-T387 WeakPolarHBondContact O-CB 3.18Å; G384-T387 PolarHBondContact O-N 3.28Å; E385-T387 VanDerWaalsContact C-N 3.31Å; E385-T387 PolarHBondContact O-N 3.45Å; T387-V390 WeakPolarHBondContact O-CB 3.44Å; T387-V390 PolarHBondContact O-N 3.17Å; T387-V391 WeakPolarHBondContact O-CG2 3.34Å; T387-V391 PolarHBondContact O-N 3.29Å; T387-M410 HydrophobicContact CG2-CE 3.04Å; T387-M410 HydrophobicContact CG2-SD 4.17Å
388	Q	91.1	Very high	92.1	Very high	82 Å²	82	62.6 Å²	62.6	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-40.8	174.9	-68.6	174.1	0.7	0	0	112.5	K27 G384 E385 Y386 V390 V391 K392	K27-Q388 PolarHBondContact O-NE2 2.85Å; K27-Q388 PolarHBondContact O-OE1 3.36Å; K27-Q388 VanDerWaalsContact O-OE1 3.08Å; G384-Q388 WeakPolarHBondContact O-CG 3.44Å; G384-Q388 PolarHBondContact O-N 3.44Å; G384-Q388 VanDerWaalsContact O-N 3.1Å; E385-Q388 PolarHBondContact O-N 3.14Å; Y386-Q388 VanDerWaalsContact C-N 3.33Å; Y386-Q388 PolarHBondContact O-N 3.34Å; Q388-V390 VanDerWaalsContact C-N 3.28Å; Q388-V390 PolarHBondContact O-N 2.83Å; Q388-V391 PolarHBondContact O-N 3.46Å; Q388-K392 PolarHBondContact O-N 2.92Å
389	A	94.3	Very high	93.1	Very high	54 Å²	54	59.8 Å²	59.8	45%	0.446	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-37.7	175.5	0	0	0	0	0	111.5	E385 Y386 K392 M393	E385-A389 WeakPolarHBondContact O-CB 3.4Å; E385-A389 PolarHBondContact O-N 3.12Å; Y386-A389 WeakPolarHBondContact O-CB 3.12Å; Y386-A389 PolarHBondContact O-N 3.38Å; A389-K392 PolarHBondContact O-N 3.41Å; A389-M393 VanDerWaalsContact O-CB 3.3Å; A389-M393 WeakPolarHBondContact O-CB 3.45Å; A389-M393 PolarHBondContact O-N 3.2Å
390	V	98.1	Very high	94	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-47.1	174.7	178.2	0	0	0	0	111.3	A348 L371 A373 Y386 T387 Q388 K392 M393 A394 F404	A348-V390 HydrophobicContact CB-CB 4.3Å; A348-V390 HydrophobicContact CB-CG2 3.42Å; A348-V390 VanDerWaalsContact CB-CG2 3.42Å; L371-V390 HydrophobicContact CB-CG1 3.43Å; L371-V390 VanDerWaalsContact CB-CG1 3.43Å; L371-V390 HydrophobicContact CD1-CG1 4.15Å; L371-V390 HydrophobicContact CG-CG1 4.44Å; A373-V390 HydrophobicContact CB-CB 4.16Å; A373-V390 HydrophobicContact CB-CG1 3.73Å; Y386-V390 HydrophobicContact CD1-CG2 3.8Å; Y386-V390 HydrophobicContact CE1-CG2 3.5Å; Y386-V390 WeakPolarHBondContact O-CG2 3.49Å; Y386-V390 PolarHBondContact O-N 2.92Å; T387-V390 WeakPolarHBondContact O-CB 3.44Å; T387-V390 PolarHBondContact O-N 3.17Å; Q388-V390 VanDerWaalsContact C-N 3.28Å; Q388-V390 PolarHBondContact O-N 2.83Å; V390-K392 PolarHBondContact O-N 2.9Å; V390-M393 PolarHBondContact O-N 3.36Å; V390-A394 PolarHBondContact O-N 3.17Å; V390-F404 HydrophobicContact CG1-CD1 4.04Å; V390-F404 HydrophobicContact CG1-CE1 4.14Å
391	V	97.3	Very high	94.6	Very high	20 Å²	20	55.4 Å²	55.4	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-47.4	177.9	174.1	0	0	0	0	110.6	T387 Q388 M393 A394 E395 F404 M410	T387-V391 WeakPolarHBondContact O-CG2 3.34Å; T387-V391 PolarHBondContact O-N 3.29Å; Q388-V391 PolarHBondContact O-N 3.46Å; V391-M393 VanDerWaalsContact C-N 3.33Å; V391-M393 PolarHBondContact O-N 2.93Å; V391-A394 WeakPolarHBondContact O-CB 3.41Å; V391-A394 PolarHBondContact O-N 2.93Å; V391-E395 WeakPolarHBondContact O-CG 3.37Å; V391-E395 PolarHBondContact O-N 3.24Å; V391-F404 HydrophobicContact CB-CE1 4.49Å; V391-F404 HydrophobicContact CB-CZ 4.41Å; V391-F404 HydrophobicContact CG1-CZ 4.42Å; V391-F404 HydrophobicContact CG2-CE1 4.14Å; V391-F404 HydrophobicContact CG2-CZ 4.16Å; V391-M410 HydrophobicContact CG2-CB 3.88Å; V391-M410 HydrophobicContact CG2-CE 4.31Å
392	K	96.5	Very high	94.9	Very high	121 Å²	121	48 Å²	48	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-44.9	176.7	-174.7	-179.6	170.6	-172.9	0	111.9	Q388 A389 V390 A394 E395 E396	Q388-K392 PolarHBondContact O-N 2.92Å; A389-K392 PolarHBondContact O-N 3.41Å; V390-K392 PolarHBondContact O-N 2.9Å; K392-A394 VanDerWaalsContact C-N 3.32Å; K392-A394 PolarHBondContact O-N 3.22Å; K392-E395 PolarHBondContact O-N 3.01Å; K392-E396 WeakPolarHBondContact CE-OE1 3.44Å; K392-E396 IonicContact NZ-OE1 2.77Å; K392-E396 WeakPolarHBondContact O-CG 3.21Å; K392-E396 PolarHBondContact O-N 3.08Å
393	M	97.7	Very high	95.3	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.064	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-39.4	177.9	-175	-176	-59.9	0	0	112.1	A348 G351 P352 V355 L371 A389 V390 V391 N397	A348-M393 HydrophobicContact CB-CE 3.77Å; A348-M393 HydrophobicContact CB-SD 4.01Å; G351-M393 VanDerWaalsContact C-CE 3.5Å; P352-M393 HydrophobicContact CB-CE 4.3Å; P352-M393 HydrophobicContact CB-CG 4.39Å; V355-M393 HydrophobicContact CG2-CG 4.12Å; V355-M393 HydrophobicContact CG2-SD 3.66Å; L371-M393 HydrophobicContact CD1-CB 4.02Å; L371-M393 HydrophobicContact CD1-CG 3.9Å; L371-M393 HydrophobicContact CD1-SD 3.97Å; A389-M393 VanDerWaalsContact O-CB 3.3Å; A389-M393 WeakPolarHBondContact O-CB 3.45Å; A389-M393 PolarHBondContact O-N 3.2Å; V390-M393 PolarHBondContact O-N 3.36Å; V391-M393 VanDerWaalsContact C-N 3.33Å; V391-M393 PolarHBondContact O-N 2.93Å; M393-N397 WeakPolarHBondContact O-CB 3Å; M393-N397 PolarHBondContact O-N 3.5Å; M393-N397 PolarHBondContact O-ND2 3.1Å
394	A	98.1	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-45.9	174.7	0	0	0	0	0	111.7	L371 V390 V391 K392 E396 N397 S398 V401 F404 F416	L371-A394 HydrophobicContact CD1-CB 4.03Å; V390-A394 PolarHBondContact O-N 3.17Å; V391-A394 WeakPolarHBondContact O-CB 3.41Å; V391-A394 PolarHBondContact O-N 2.93Å; K392-A394 VanDerWaalsContact C-N 3.32Å; K392-A394 PolarHBondContact O-N 3.22Å; A394-E396 VanDerWaalsContact C-N 3.32Å; A394-E396 PolarHBondContact O-N 2.99Å; A394-N397 CarbonylContact O-C 2.97Å; A394-N397 VanDerWaalsContact O-C 3.26Å; A394-N397 PolarHBondContact O-N 3.48Å; A394-N397 VanDerWaalsContact O-N 3.09Å; A394-S398 PolarHBondContact O-N 3.33Å; A394-S398 VanDerWaalsContact O-N 3.08Å; A394-V401 HydrophobicContact CB-CB 4.32Å; A394-V401 HydrophobicContact CB-CG1 3.54Å; A394-F404 HydrophobicContact CB-CD1 4.49Å; A394-F404 HydrophobicContact CB-CE1 3.38Å; A394-F404 HydrophobicContact CB-CZ 3.42Å; A394-F404 VanDerWaalsContact CB-CZ 3.42Å; A394-F416 HydrophobicContact CB-CE1 3.91Å; A394-F416 HydrophobicContact CB-CZ 4.22Å; A394-F416 WeakPolarHBondContact O-CZ 3.38Å
395	E	95.7	Very high	96.3	Very high	65 Å²	65	41.9 Å²	41.9	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-36.4	179.9	-68	-175.1	173.1	0	0	113.1	V391 K392 N397 T411 K413 F416	V391-E395 WeakPolarHBondContact O-CG 3.37Å; V391-E395 PolarHBondContact O-N 3.24Å; K392-E395 PolarHBondContact O-N 3.01Å; E395-N397 PolarHBondContact O-N 3.32Å; E395-T411 PolarHBondContact OE1-OG1 3.12Å; E395-K413 HydrophobicContact CG-CD 4.08Å; E395-K413 WeakPolarHBondContact OE1-CD 3.47Å; E395-K413 IonicContact OE1-NZ 2.76Å; E395-K413 PolarHBondContact OE1-NZ 2.9Å; E395-K413 IonicContact OE2-NZ 3.23Å; E395-K413 PolarHBondContact OE2-NZ 3.32Å; E395-F416 HydrophobicContact CG-CE2 3.96Å; E395-F416 HydrophobicContact CG-CZ 4.34Å
396	E	97.3	Very high	96.8	Very high	121 Å²	121	35.1 Å²	35.1	57%	0.565	18%	0.183	S	C	*	.	H	α-helix	trans	-73.9	-14.3	175.8	-70.7	175.4	164.3	0	0	113.3	K392 A394	K392-E396 WeakPolarHBondContact CE-OE1 3.44Å; K392-E396 IonicContact NZ-OE1 2.77Å; K392-E396 WeakPolarHBondContact O-CG 3.21Å; K392-E396 PolarHBondContact O-N 3.08Å; A394-E396 VanDerWaalsContact C-N 3.32Å; A394-E396 PolarHBondContact O-N 2.99Å
397	N	97.8	Very high	96.6	Very high	31 Å²	31	34.3 Å²	34.3	17%	0.166	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	35.2	-176.3	-62.1	-92.8	0	0	0	111.7	V355 M393 A394 E395 D399 F400 V401	V355-N397 HydrophobicContact CG1-CB 3.74Å; M393-N397 WeakPolarHBondContact O-CB 3Å; M393-N397 PolarHBondContact O-N 3.5Å; M393-N397 PolarHBondContact O-ND2 3.1Å; A394-N397 CarbonylContact O-C 2.97Å; A394-N397 VanDerWaalsContact O-C 3.26Å; A394-N397 PolarHBondContact O-N 3.48Å; A394-N397 VanDerWaalsContact O-N 3.09Å; E395-N397 PolarHBondContact O-N 3.32Å; N397-D399 PolarHBondContact O-N 2.93Å; N397-D399 VanDerWaalsContact O-N 3.08Å; N397-F400 PolarHBondContact O-N 3.18Å; N397-F400 VanDerWaalsContact O-N 3.09Å; N397-V401 HydrophobicContact CB-CG2 3.92Å; N397-V401 WeakPolarHBondContact O-CB 3.38Å; N397-V401 PolarHBondContact O-N 3.03Å
398	S	96.8	Very high	96.4	Very high	62 Å²	62	35.8 Å²	35.8	43%	0.434	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.7	-173.9	65.8	0	0	0	0	114.4	A394 F400	A394-S398 PolarHBondContact O-N 3.33Å; A394-S398 VanDerWaalsContact O-N 3.08Å; S398-F400 PolarHBondContact O-N 2.94Å
399	D	96.6	Very high	96.5	Very high	92 Å²	92	35.9 Å²	35.9	49%	0.492	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.9	174.7	67.2	-16.2	0	0	0	113.3	K363 N397	K363-D399 VanDerWaalsContact CE-OD1 3.23Å; K363-D399 WeakPolarHBondContact CE-OD1 3.31Å; K363-D399 WeakPolarHBondContact CE-OD2 3.48Å; K363-D399 IonicContact NZ-OD1 2.77Å; K363-D399 PolarHBondContact NZ-OD1 3.45Å; K363-D399 IonicContact NZ-OD2 2.58Å; K363-D399 PolarHBondContact NZ-OD2 3.21Å; N397-D399 PolarHBondContact O-N 2.93Å; N397-D399 VanDerWaalsContact O-N 3.08Å
400	F	98.6	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-33.9	170.9	177.4	-116.3	0	0	0	113	V355 L358 S359 K363 R367 G368 C369 N397 S398 I402	V355-F400 HydrophobicContact CG1-CD1 4.13Å; L358-F400 HydrophobicContact CB-CE1 3.67Å; L358-F400 HydrophobicContact CB-CZ 3.99Å; S359-F400 VanDerWaalsContact CB-CD1 3.43Å; K363-F400 HydrophobicContact CD-CB 4.34Å; K363-F400 VanDerWaalsContact CE-CB 3.42Å; K363-F400 HydrophobicContact CG-CB 3.94Å; K363-F400 HydrophobicContact CG-CD2 3.96Å; K363-F400 HydrophobicContact CG-CG 4.21Å; R367-F400 HydrophobicContact CB-CE2 4.39Å; R367-F400 VanDerWaalsContact O-CD2 3.3Å; R367-F400 WeakPolarHBondContact O-CD2 3.27Å; R367-F400 WeakPolarHBondContact O-CE2 3.5Å; G368-F400 WeakPolarHBondContact CA-O 3.33Å; C369-F400 HydrophobicContact CB-CD1 3.79Å; C369-F400 HydrophobicContact CB-CE1 3.38Å; C369-F400 HydrophobicContact CB-CE2 4.45Å; C369-F400 HydrophobicContact CB-CG 4.49Å; C369-F400 HydrophobicContact CB-CZ 3.76Å; C369-F400 PolarHBondContact N-O 3.42Å; N397-F400 PolarHBondContact O-N 3.18Å; N397-F400 VanDerWaalsContact O-N 3.09Å; S398-F400 PolarHBondContact O-N 2.94Å; F400-I402 PolarHBondContact O-N 3.26Å
401	V	98.8	Very high	96	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.9	174.2	-177.6	0	0	0	0	108.9	V355 C369 L371 A394 N397 F416	V355-V401 HydrophobicContact CG1-CG2 3.75Å; V355-V401 HydrophobicContact CG2-CG2 4.44Å; C369-V401 CarbonylContact O-C 3.26Å; C369-V401 VanDerWaalsContact O-CA 3.31Å; C369-V401 WeakPolarHBondContact O-CA 3.38Å; L371-V401 HydrophobicContact CD1-CG1 4.07Å; L371-V401 HydrophobicContact CD1-CG2 4.2Å; L371-V401 HydrophobicContact CG-CG1 3.85Å; L371-V401 HydrophobicContact CG-CG2 4.21Å; A394-V401 HydrophobicContact CB-CB 4.32Å; A394-V401 HydrophobicContact CB-CG1 3.54Å; N397-V401 HydrophobicContact CB-CG2 3.92Å; N397-V401 WeakPolarHBondContact O-CB 3.38Å; N397-V401 PolarHBondContact O-N 3.03Å; V401-F416 HydrophobicContact CG1-CE1 4.38Å; V401-F416 WeakPolarHBondContact O-CE1 3.37Å
402	I	98.7	Very high	95.6	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-10.4	-175	66.6	171.4	0	0	0	113.2	H241 A244 I343 C369 L370 F400 L417	H241-I402 HydrophobicContact CB-CG2 3.76Å; H241-I402 VanDerWaalsContact CG-CG2 3.46Å; H241-I402 WeakPolarHBondContact ND1-CG2 3.44Å; A244-I402 HydrophobicContact CB-CB 4.21Å; A244-I402 HydrophobicContact CB-CG2 4.44Å; I343-I402 HydrophobicContact CD1-CD1 3.82Å; I343-I402 HydrophobicContact CG1-CD1 3.91Å; I343-I402 HydrophobicContact CG2-CD1 4.31Å; C369-I402 PolarHBondContact O-N 3.41Å; L370-I402 HydrophobicContact CD2-CD1 4.27Å; L370-I402 HydrophobicContact CD2-CG1 3.74Å; L370-I402 HydrophobicContact CG-CG1 4.37Å; F400-I402 PolarHBondContact O-N 3.26Å; I402-L417 HydrophobicContact CD1-CD1 4.23Å; I402-L417 HydrophobicContact CG1-CD1 4.47Å; I402-L417 PolarHBondContact O-N 3.38Å
403	G	98.6	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-158.1	-174.6	0	0	0	0	0	114.3	L370 L371 L417	L370-G403 WeakPolarHBondContact CA-O 3.42Å; L371-G403 PolarHBondContact N-O 2.85Å; G403-L417 CarbonylContact C-O 3.6Å; G403-L417 WeakPolarHBondContact CA-O 3.44Å
404	F	98.8	Very high	95.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.4	-170.3	-52.5	-81.2	0	0	0	113.1	L371 A373 V390 V391 A394 C406 M410 T411 F416 L417 H418 M419	L371-F404 HydrophobicContact CB-CD1 4.44Å; L371-F404 CarbonylContact O-C 3.51Å; L371-F404 WeakPolarHBondContact O-CA 3.42Å; A373-F404 HydrophobicContact CB-CB 4.25Å; A373-F404 HydrophobicContact CB-CD1 3.96Å; A373-F404 HydrophobicContact CB-CG 4.4Å; V390-F404 HydrophobicContact CG1-CD1 4.04Å; V390-F404 HydrophobicContact CG1-CE1 4.14Å; V391-F404 HydrophobicContact CB-CE1 4.49Å; V391-F404 HydrophobicContact CB-CZ 4.41Å; V391-F404 HydrophobicContact CG1-CZ 4.42Å; V391-F404 HydrophobicContact CG2-CE1 4.14Å; V391-F404 HydrophobicContact CG2-CZ 4.16Å; A394-F404 HydrophobicContact CB-CD1 4.49Å; A394-F404 HydrophobicContact CB-CE1 3.38Å; A394-F404 HydrophobicContact CB-CZ 3.42Å; A394-F404 VanDerWaalsContact CB-CZ 3.42Å; F404-C406 HydrophobicContact CB-CB 4.18Å; F404-M410 HydrophobicContact CD2-CB 4.31Å; F404-M410 HydrophobicContact CE2-CB 4.49Å; F404-T411 HydrophobicContact CE2-CG2 3.81Å; F404-T411 HydrophobicContact CZ-CG2 4.49Å; F404-F416 HydrophobicContact CD2-CB 4.4Å; F404-F416 HydrophobicContact CE2-CB 3.84Å; F404-F416 HydrophobicContact CE2-CD1 4.19Å; F404-F416 AromaticContact CE2-CG 3.97Å; F404-F416 HydrophobicContact CE2-CG 3.97Å; F404-F416 HydrophobicContact CZ-CD1 4.46Å; F404-F416 HydrophobicContact CZ-CG 4.49Å; F404-L417 PolarHBondContact N-O 3.1Å; F404-H418 AromaticContact CD2-CD2 3.72Å; F404-H418 AromaticContact CD2-NE2 3.58Å; F404-H418 AromaticContact CE2-NE2 3.98Å; F404-M419 PolarHBondContact O-N 3.09Å
405	I	98.6	Very high	95.3	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.2	152.2	-56.4	-58.9	0	0	0	107.3	F314 N345 L370 L371 I372 A373 Q374 M419 P421 I452	F314-I405 HydrophobicContact CE1-CD1 3.97Å; F314-I405 HydrophobicContact CZ-CD1 4.01Å; N345-I405 HydrophobicContact CB-CG1 4.27Å; L370-I405 HydrophobicContact CB-CD1 4.41Å; L370-I405 HydrophobicContact CB-CG1 4.24Å; L370-I405 HydrophobicContact CD1-CD1 3.81Å; L371-I405 PolarHBondContact O-N 3.47Å; I372-I405 HydrophobicContact CB-CB 4.46Å; I372-I405 HydrophobicContact CG1-CB 4.11Å; I372-I405 HydrophobicContact CG1-CG1 4.18Å; I372-I405 HydrophobicContact CG2-CB 4.47Å; A373-I405 PolarHBondContact N-O 2.84Å; Q374-I405 PolarHBondContact N-O 2.88Å; I405-M419 WeakPolarHBondContact CA-O 3.46Å; I405-M419 HydrophobicContact CD1-CB 4.17Å; I405-P421 HydrophobicContact CG2-CG 3.98Å; I405-I452 HydrophobicContact CD1-CD1 3.92Å
406	C	97	Very high	95.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	22%	0.218	C	C	.	.			trans	-155.7	163	-171.5	56.9	0	0	0	0	112.8	A373 F404 S408 M410 M419 T420	A373-C406 HydrophobicContact CB-CB 4.38Å; F404-C406 HydrophobicContact CB-CB 4.18Å; C406-S408 PolarHBondContact SG-O 3.37Å; C406-S408 VanDerWaalsContact SG-O 3.34Å; C406-M410 HydrophobicContact CB-CG 3.65Å; C406-M410 HydrophobicContact CB-SD 4.02Å; C406-M419 PolarHBondContact N-O 2.92Å; C406-T420 VanDerWaalsContact O-CA 3.28Å; C406-T420 WeakPolarHBondContact O-CA 3.14Å; C406-T420 VanDerWaalsContact O-CB 3.27Å; C406-T420 WeakPolarHBondContact O-CB 3.47Å; C406-T420 WeakPolarHBondContact O-CG2 3.45Å; C406-T420 PolarHBondContact O-OG1 3.14Å
407	A	89.1	Confident	95.5	Very high	36 Å²	36	35.7 Å²	35.7	30%	0.298	19%	0.191	S	C	.	.	S	Bend	trans	-89.5	-22.7	176.3	0	0	0	0	0	112.5	Q374 K446	Q374-A407 HydrophobicContact CB-CB 4.45Å; A407-K446 WeakPolarHBondContact O-CD 3.47Å
408	S	88.8	Confident	95.6	Very high	39 Å²	39	34.4 Å²	34.4	27%	0.273	18%	0.184	S	C	.	.	S	Bend	trans	-148.8	167.8	178.1	58.7	0	0	0	0	111.3	C406 M410	C406-S408 PolarHBondContact SG-O 3.37Å; C406-S408 VanDerWaalsContact SG-O 3.34Å; S408-M410 VanDerWaalsContact O-CG 3.29Å; S408-M410 WeakPolarHBondContact O-CG 3.43Å; S408-M410 PolarHBondContact O-N 3.34Å
409	K	92.5	Very high	95.6	Very high	84 Å²	84	31.4 Å²	31.4	37%	0.365	16%	0.164	S	C	.	.			trans	-52.7	130.8	173.1	-168.1	-177.3	179.9	-161.7	0	110.7	T411 E412 K446	K409-T411 WeakPolarHBondContact CE-O 3.4Å; K409-E412 IonicContact NZ-OE1 2.86Å; K409-E412 PolarHBondContact NZ-OE1 2.99Å; K409-E412 IonicContact NZ-OE2 3.37Å; K409-E412 PolarHBondContact NZ-OE2 2.97Å; K409-K446 WeakPolarHBondContact CB-O 3.26Å; K409-K446 PolarHBondContact N-O 3.04Å
410	M	89.1	Confident	95.7	Very high	43 Å²	43	27.3 Å²	27.3	21%	0.212	14%	0.142	C	C	.	.			trans	-110.1	-23.3	-170.9	-61	-52.1	-42.7	0	0	115	A373 Q374 T387 V391 F404 C406 S408 H418	A373-M410 HydrophobicContact CB-CG 4.34Å; Q374-M410 HydrophobicContact CG-SD 4.34Å; T387-M410 HydrophobicContact CG2-CE 3.04Å; T387-M410 HydrophobicContact CG2-SD 4.17Å; V391-M410 HydrophobicContact CG2-CB 3.88Å; V391-M410 HydrophobicContact CG2-CE 4.31Å; F404-M410 HydrophobicContact CD2-CB 4.31Å; F404-M410 HydrophobicContact CE2-CB 4.49Å; C406-M410 HydrophobicContact CB-CG 3.65Å; C406-M410 HydrophobicContact CB-SD 4.02Å; S408-M410 VanDerWaalsContact O-CG 3.29Å; S408-M410 WeakPolarHBondContact O-CG 3.43Å; S408-M410 PolarHBondContact O-N 3.34Å; M410-H418 PolarHBondContact N-CD2 3.4Å; M410-H418 PolarHBondContact N-NE2 2.88Å
411	T	92.8	Very high	95.5	Very high	15 Å²	15	29 Å²	29	9%	0.092	15%	0.153	C	C	.	.			trans	-146.8	149.4	-177.4	-178	0	0	0	0	109.5	E395 F404 K409 K413 F416	E395-T411 PolarHBondContact OE1-OG1 3.12Å; F404-T411 HydrophobicContact CE2-CG2 3.81Å; F404-T411 HydrophobicContact CZ-CG2 4.49Å; K409-T411 WeakPolarHBondContact CE-O 3.4Å; T411-K413 VanDerWaalsContact C-N 3.27Å; T411-K413 HydrophobicContact CG2-CB 4.24Å; T411-K413 PolarHBondContact OG1-N 3.26Å; T411-F416 HydrophobicContact CG2-CB 3.94Å; T411-F416 HydrophobicContact CG2-CD2 3.97Å; T411-F416 HydrophobicContact CG2-CG 4.28Å
412	E	89.9	Confident	95	Very high	144 Å²	144	29.4 Å²	29.4	67%	0.673	16%	0.157	S	C	*	.	S	Bend	trans	-82.2	-6.6	174.8	-67	-54.9	123.8	0	0	112.9	K409 P414	K409-E412 IonicContact NZ-OE1 2.86Å; K409-E412 PolarHBondContact NZ-OE1 2.99Å; K409-E412 IonicContact NZ-OE2 3.37Å; K409-E412 PolarHBondContact NZ-OE2 2.97Å; E412-P414 WeakPolarHBondContact O-CD 3.46Å
413	K	94.2	Very high	94.6	Very high	86 Å²	86	29.4 Å²	29.4	37%	0.374	16%	0.158	S	C	.	.			trans	-69	109.1	174.5	-72.8	180	179.1	172.5	0	110.2	E395 T411 E415 F416	E395-K413 HydrophobicContact CG-CD 4.08Å; E395-K413 WeakPolarHBondContact OE1-CD 3.47Å; E395-K413 IonicContact OE1-NZ 2.76Å; E395-K413 PolarHBondContact OE1-NZ 2.9Å; E395-K413 IonicContact OE2-NZ 3.23Å; E395-K413 PolarHBondContact OE2-NZ 3.32Å; T411-K413 VanDerWaalsContact C-N 3.27Å; T411-K413 HydrophobicContact CG2-CB 4.24Å; T411-K413 PolarHBondContact OG1-N 3.26Å; K413-E415 WeakPolarHBondContact CB-OE2 3.41Å; K413-E415 PolarHBondContact O-N 3.23Å; K413-F416 HydrophobicContact CB-CD2 3.89Å; K413-F416 HydrophobicContact CB-CE2 4.37Å; K413-F416 HydrophobicContact CD-CD2 4.44Å; K413-F416 HydrophobicContact CD-CE2 4.11Å; K413-F416 PolarHBondContact O-N 2.99Å
414	P	95.1	Very high	94.2	Very high	47 Å²	47	31.4 Å²	31.4	31%	0.305	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.8	-171.9	29.4	-35.5	0	0	0	113.9	L229 R234 L237 E412 F416	L229-P414 HydrophobicContact CD1-CB 4.2Å; L229-P414 HydrophobicContact CD1-CG 4.25Å; R234-P414 HydrophobicContact CG-CB 4.32Å; R234-P414 PolarHBondContact NE-O 3.06Å; R234-P414 PolarHBondContact NH2-O 3.44Å; L237-P414 HydrophobicContact CD1-CB 3.84Å; L237-P414 HydrophobicContact CD1-CG 3.63Å; E412-P414 WeakPolarHBondContact O-CD 3.46Å; P414-F416 VanDerWaalsContact C-N 3.29Å
415	E	97.4	Very high	93.3	Very high	46 Å²	46	35.3 Å²	35.3	22%	0.215	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.8	176.4	-56.5	87.7	163.7	0	0	113.1	L237 K239 I240 K413	L237-E415 HydrophobicContact CB-CG 4.4Å; L237-E415 HydrophobicContact CD1-CG 4.09Å; K239-E415 HydrophobicContact CB-CG 4.12Å; I240-E415 HydrophobicContact CD1-CB 4.17Å; I240-E415 WeakPolarHBondContact CD1-O 3.46Å; K413-E415 WeakPolarHBondContact CB-OE2 3.41Å; K413-E415 PolarHBondContact O-N 3.23Å
416	F	98.4	Very high	92.2	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.039	22%	0.219	C	C	.	.	S	Bend	trans	-88.6	138.8	179	-71.7	-73.6	0	0	0	111.5	R234 A394 E395 V401 F404 T411 K413 P414	R234-F416 PolarHBondContact NH2-O 3.17Å; A394-F416 HydrophobicContact CB-CE1 3.91Å; A394-F416 HydrophobicContact CB-CZ 4.22Å; A394-F416 WeakPolarHBondContact O-CZ 3.38Å; E395-F416 HydrophobicContact CG-CE2 3.96Å; E395-F416 HydrophobicContact CG-CZ 4.34Å; V401-F416 HydrophobicContact CG1-CE1 4.38Å; V401-F416 WeakPolarHBondContact O-CE1 3.37Å; F404-F416 HydrophobicContact CD2-CB 4.4Å; F404-F416 HydrophobicContact CE2-CB 3.84Å; F404-F416 HydrophobicContact CE2-CD1 4.19Å; F404-F416 AromaticContact CE2-CG 3.97Å; F404-F416 HydrophobicContact CE2-CG 3.97Å; F404-F416 HydrophobicContact CZ-CD1 4.46Å; F404-F416 HydrophobicContact CZ-CG 4.49Å; T411-F416 HydrophobicContact CG2-CB 3.94Å; T411-F416 HydrophobicContact CG2-CD2 3.97Å; T411-F416 HydrophobicContact CG2-CG 4.28Å; K413-F416 HydrophobicContact CB-CD2 3.89Å; K413-F416 HydrophobicContact CB-CE2 4.37Å; K413-F416 HydrophobicContact CD-CD2 4.44Å; K413-F416 HydrophobicContact CD-CE2 4.11Å; K413-F416 PolarHBondContact O-N 2.99Å; P414-F416 VanDerWaalsContact C-N 3.29Å
417	L	98.5	Very high	90.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	143.1	174.3	-66.7	157	0	0	0	111.1	A244 L247 L248 I402 G403 F404 M419 D449	A244-L417 HydrophobicContact CB-CD1 3.84Å; L247-L417 HydrophobicContact CD2-CD1 3.76Å; L247-L417 HydrophobicContact CD2-CD2 4.44Å; L248-L417 HydrophobicContact CD2-CD2 3.81Å; L248-L417 HydrophobicContact CG-CD2 4.11Å; I402-L417 HydrophobicContact CD1-CD1 4.23Å; I402-L417 HydrophobicContact CG1-CD1 4.47Å; I402-L417 PolarHBondContact O-N 3.38Å; G403-L417 CarbonylContact C-O 3.6Å; G403-L417 WeakPolarHBondContact CA-O 3.44Å; F404-L417 PolarHBondContact N-O 3.1Å; L417-M419 HydrophobicContact CB-CE 3.97Å; L417-M419 HydrophobicContact CD1-CE 3.9Å; L417-M419 HydrophobicContact CG-CE 4.47Å; L417-D449 WeakPolarHBondContact CA-OD2 3.48Å
418	H	98.6	Very high	89.2	Confident	4 Å²	4	47 Å²	47	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.6	170.2	-61.3	94.8	0	0	0	109.9	F404 M410 S448 D449 V450	F404-H418 AromaticContact CD2-CD2 3.72Å; F404-H418 AromaticContact CD2-NE2 3.58Å; F404-H418 AromaticContact CE2-NE2 3.98Å; M410-H418 PolarHBondContact N-CD2 3.4Å; M410-H418 PolarHBondContact N-NE2 2.88Å; H418-S448 PolarHBondContact O-OG 2.97Å; H418-S448 VanDerWaalsContact O-OG 3.04Å; H418-D449 PolarHBondContact N-OD2 3.22Å; H418-D449 IonicContact ND1-OD2 3.01Å; H418-D449 WeakPolarHBondContact O-CA 3.41Å; H418-D449 VanDerWaalsContact O-CB 3.31Å; H418-D449 WeakPolarHBondContact O-CB 3.43Å; H418-D449 PolarHBondContact O-N 3.17Å; H418-V450 PolarHBondContact O-N 3.47Å
419	M	98.4	Very high	87.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	179.9	-47	-169.6	-175.4	0	0	110.4	L247 M283 L370 F404 I405 C406 L417 V450 I452	L247-M419 HydrophobicContact CD2-CE 3.63Å; M283-M419 HydrophobicContact CE-CE 3.66Å; M283-M419 HydrophobicContact CE-SD 3.9Å; M283-M419 HydrophobicContact SD-SD 4.1Å; L370-M419 HydrophobicContact CD1-CE 3.96Å; L370-M419 HydrophobicContact CD1-CG 4.34Å; L370-M419 HydrophobicContact CD1-SD 3.41Å; L370-M419 WeakPolarHBondContact CD1-SD 3.38Å; L370-M419 HydrophobicContact CD2-CE 3.84Å; L370-M419 HydrophobicContact CD2-SD 4.19Å; L370-M419 HydrophobicContact CG-CE 4.5Å; L370-M419 HydrophobicContact CG-SD 4.44Å; F404-M419 PolarHBondContact O-N 3.09Å; I405-M419 WeakPolarHBondContact CA-O 3.46Å; I405-M419 HydrophobicContact CD1-CB 4.17Å; C406-M419 PolarHBondContact N-O 2.92Å; L417-M419 HydrophobicContact CB-CE 3.97Å; L417-M419 HydrophobicContact CD1-CE 3.9Å; L417-M419 HydrophobicContact CG-CE 4.47Å; M419-V450 WeakPolarHBondContact CA-O 3.14Å; M419-V450 HydrophobicContact CB-CB 4.22Å; M419-V450 HydrophobicContact CG-CB 3.95Å; M419-V450 HydrophobicContact CG-CG2 4.3Å; M419-I452 HydrophobicContact CB-CD1 3.93Å; M419-I452 HydrophobicContact CB-CG1 4.41Å
420	T	97.6	Very high	86.5	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112	-168.7	-60.6	0	0	0	0	111.6	C406 V423 V442 S448 V450 I452	C406-T420 VanDerWaalsContact O-CA 3.28Å; C406-T420 WeakPolarHBondContact O-CA 3.14Å; C406-T420 VanDerWaalsContact O-CB 3.27Å; C406-T420 WeakPolarHBondContact O-CB 3.47Å; C406-T420 WeakPolarHBondContact O-CG2 3.45Å; C406-T420 PolarHBondContact O-OG1 3.14Å; T420-V423 HydrophobicContact CG2-CG2 4.45Å; T420-V423 WeakPolarHBondContact O-CG2 3.48Å; T420-V442 VanDerWaalsContact CB-CG1 3.49Å; T420-V442 HydrophobicContact CG2-CB 4.46Å; T420-V442 HydrophobicContact CG2-CG1 3.68Å; T420-V442 HydrophobicContact CG2-CG2 3.86Å; T420-S448 WeakPolarHBondContact OG1-CB 3.31Å; T420-S448 PolarHBondContact OG1-OG 3.04Å; T420-V450 PolarHBondContact N-O 2.89Å; T420-I452 PolarHBondContact O-N 3.27Å
421	P	95.1	Very high	84.1	Confident	35 Å²	35	52 Å²	52	23%	0.227	30%	0.298	C	S	.	.			trans	-81.1	175.4	168.7	35.8	-34.7	0	0	0	111.5	I405 I452	I405-P421 HydrophobicContact CG2-CG 3.98Å; P421-I452 HydrophobicContact CB-CB 4.14Å; P421-I452 HydrophobicContact CB-CD1 4.46Å; P421-I452 HydrophobicContact CB-CG2 4.41Å
422	G	88.5	Confident	82.1	Confident	10 Å²	10	59.5 Å²	59.5	10%	0.103	33%	0.334	C	S	.	.			trans	74.6	45.4	-177.7	0	0	0	0	0	111.8	Q435 Y436 T437	G422-Q435 WeakPolarHBondContact CA-O 3.3Å; G422-Y436 CarbonylContact O-C 3.58Å; G422-Y436 VanDerWaalsContact O-CA 3.27Å; G422-Y436 WeakPolarHBondContact O-CA 3.48Å; G422-T437 PolarHBondContact O-N 3.45Å
423	V	90	Very high	80	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-112.6	130.3	-180	-176.9	0	0	0	0	110.6	T420 T437 P439 V442 I451 V453 Y470	T420-V423 HydrophobicContact CG2-CG2 4.45Å; T420-V423 WeakPolarHBondContact O-CG2 3.48Å; V423-T437 VanDerWaalsContact CA-O 3.28Å; V423-T437 WeakPolarHBondContact CA-O 3.38Å; V423-P439 HydrophobicContact CG1-CB 4.31Å; V423-P439 HydrophobicContact CG1-CG 3.71Å; V423-V442 HydrophobicContact CG2-CG2 3.95Å; V423-I451 HydrophobicContact CB-CB 4.39Å; V423-I451 HydrophobicContact CG1-CB 4.15Å; V423-I451 HydrophobicContact CG1-CG2 4.15Å; V423-I451 HydrophobicContact CG2-CB 4.13Å; V423-I451 HydrophobicContact CG2-CG2 4.18Å; V423-V453 HydrophobicContact CB-CG2 4.08Å; V423-V453 HydrophobicContact CG1-CG2 4.19Å; V423-Y470 HydrophobicContact CG1-CE1 4.42Å
424	Q	89.1	Confident	78.5	Confident	42 Å²	42	51.5 Å²	51.5	20%	0.196	30%	0.303	C	S	.	.			trans	-142.3	154.5	168.9	-76.3	-168.8	3.2	0	0	110.8	K426 Y436 T437 T438 Y470	Q424-K426 WeakPolarHBondContact CB-O 3.42Å; Q424-K426 PolarHBondContact O-N 3.47Å; Q424-Y436 HydrophobicContact CB-CD1 4.17Å; Q424-Y436 HydrophobicContact CB-CG 4.03Å; Q424-Y436 HydrophobicContact CG-CD1 3.54Å; Q424-Y436 HydrophobicContact CG-CD2 4.12Å; Q424-Y436 HydrophobicContact CG-CE1 3.79Å; Q424-Y436 HydrophobicContact CG-CE2 4.35Å; Q424-Y436 HydrophobicContact CG-CG 3.71Å; Q424-Y436 VanDerWaalsContact NE2-CE2 3.26Å; Q424-Y436 PolarHBondContact NE2-OH 3.33Å; Q424-T437 PolarHBondContact N-O 3.38Å; Q424-T438 WeakPolarHBondContact O-CA 3.44Å; Q424-Y470 VanDerWaalsContact CA-OH 3.32Å; Q424-Y470 WeakPolarHBondContact CA-OH 3.47Å
425	I	81.6	Confident	77.2	Confident	82 Å²	82	54.4 Å²	54.4	42%	0.421	31%	0.312	S	S	.	.	S	Bend	trans	-59.1	-36	176.5	-72.3	178.4	0	0	0	111.6	S469 Y470	I425-S469 VanDerWaalsContact CD1-OG 3.28Å; I425-S469 WeakPolarHBondContact CD1-OG 3.13Å; I425-Y470 HydrophobicContact CD1-CE2 4.25Å; I425-Y470 HydrophobicContact CG1-CD1 4.18Å; I425-Y470 HydrophobicContact CG1-CE1 3.68Å; I425-Y470 HydrophobicContact CG1-CE2 4.19Å; I425-Y470 PolarHBondContact N-OH 2.93Å
426	K	74.3	Confident	76.2	Confident	167 Å²	167	53.5 Å²	53.5	73%	0.726	31%	0.307	S	S	*	.	S	Bend	trans	-104.2	134.6	173.7	-65.8	-178	-180	177.3	0	109.3	Q424	Q424-K426 WeakPolarHBondContact CB-O 3.42Å; Q424-K426 PolarHBondContact O-N 3.47Å
427	A	60.7	Low	75.4	Confident	80 Å²	80	54.7 Å²	54.7	66%	0.661	32%	0.315	S	S	*	.			trans	-63.1	143.7	171	0	0	0	0	0	110.3
428	G	62.5	Low	74.9	Confident	45 Å²	45	56.7 Å²	56.7	46%	0.464	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-161	-175.4	0	0	0	0	0	112.7	Y436	G428-Y436 WeakPolarHBondContact O-CB 3.26Å; G428-Y436 PolarHBondContact O-N 3.08Å
429	G	62.3	Low	74.6	Confident	51 Å²	51	56.6 Å²	56.6	53%	0.526	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	174.7	172.5	0	0	0	0	0	111.6	Q434	G429-Q434 CarbonylContact C-O 3.53Å; G429-Q434 WeakPolarHBondContact CA-O 3.3Å
430	D	62.8	Low	74.2	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.23	35%	0.345	C	S	.	.			trans	-109.4	176.6	175.3	81	-0.7	0	0	0	113.4	M432 G433 Q434 R455	D430-M432 PolarHBondContact O-N 3.27Å; D430-M432 WeakPolarHBondContact OD1-CA 3.41Å; D430-M432 PolarHBondContact OD1-N 3.13Å; D430-G433 PolarHBondContact OD1-N 3.42Å; D430-Q434 HydrophobicContact CB-CB 4.25Å; D430-Q434 PolarHBondContact N-O 2.99Å; D430-Q434 VanDerWaalsContact OD1-CB 3.27Å; D430-Q434 WeakPolarHBondContact OD1-CB 3.3Å; D430-Q434 PolarHBondContact OD1-N 2.98Å; D430-Q434 WeakPolarHBondContact OD2-CB 3.49Å; D430-R455 IonicContact OD2-CZ 2.8Å; D430-R455 IonicContact OD2-NH1 2.74Å; D430-R455 PolarHBondContact OD2-NH1 2.87Å; D430-R455 IonicContact OD2-NH2 3.48Å; D430-R455 PolarHBondContact OD2-NH2 2.88Å
431	L	39.1	Very low	73.7	Confident	178 Å²	178	62.3 Å²	62.3	93%	0.932	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.7	178.7	-63.9	175.9	0	0	0	114
432	M	49.4	Very low	73.5	Confident	172 Å²	172	60.6 Å²	60.6	85%	0.847	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	17.8	-176	-61.6	-63.1	-177.7	0	0	112.2	D430	D430-M432 PolarHBondContact O-N 3.27Å; D430-M432 WeakPolarHBondContact OD1-CA 3.41Å; D430-M432 PolarHBondContact OD1-N 3.13Å
433	G	45.9	Very low	73.7	Confident	19 Å²	19	60.1 Å²	60.1	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	86.1	9.6	172.5	0	0	0	0	0	115.5	S377 Q378 D430	S377-G433 WeakPolarHBondContact CA-O 3.4Å; Q378-G433 PolarHBondContact N-O 2.94Å; D430-G433 PolarHBondContact OD1-N 3.42Å
434	Q	63.7	Low	73.7	Confident	44 Å²	44	64.9 Å²	64.9	21%	0.206	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-70.7	131.5	171.7	-175.5	58.2	53.7	0	0	110.4	S376 G429 D430 Y436	S376-Q434 VanDerWaalsContact CB-NE2 3.34Å; S376-Q434 PolarHBondContact OG-NE2 3.12Å; G429-Q434 CarbonylContact C-O 3.53Å; G429-Q434 WeakPolarHBondContact CA-O 3.3Å; D430-Q434 HydrophobicContact CB-CB 4.25Å; D430-Q434 PolarHBondContact N-O 2.99Å; D430-Q434 VanDerWaalsContact OD1-CB 3.27Å; D430-Q434 WeakPolarHBondContact OD1-CB 3.3Å; D430-Q434 PolarHBondContact OD1-N 2.98Å; D430-Q434 WeakPolarHBondContact OD2-CB 3.49Å; Q434-Y436 HydrophobicContact CG-CD1 4.24Å; Q434-Y436 HydrophobicContact CG-CE1 3.64Å; Q434-Y436 HydrophobicContact CG-CE2 4.47Å
435	Q	67.1	Low	73.3	Confident	108 Å²	108	67.8 Å²	67.8	51%	0.505	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.9	171.9	-61	-177.5	-30.3	0	0	110.5	S376 G422	S376-Q435 PolarHBondContact O-N 3.5Å; G422-Q435 WeakPolarHBondContact CA-O 3.3Å
436	Y	76.1	Confident	73.6	Confident	27 Å²	27	67.2 Å²	67.2	11%	0.106	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.8	-179.8	-61.8	-60.3	0	0	0	112.9	G422 Q424 G428 Q434 R455	G422-Y436 CarbonylContact O-C 3.58Å; G422-Y436 VanDerWaalsContact O-CA 3.27Å; G422-Y436 WeakPolarHBondContact O-CA 3.48Å; Q424-Y436 HydrophobicContact CB-CD1 4.17Å; Q424-Y436 HydrophobicContact CB-CG 4.03Å; Q424-Y436 HydrophobicContact CG-CD1 3.54Å; Q424-Y436 HydrophobicContact CG-CD2 4.12Å; Q424-Y436 HydrophobicContact CG-CE1 3.79Å; Q424-Y436 HydrophobicContact CG-CE2 4.35Å; Q424-Y436 HydrophobicContact CG-CG 3.71Å; Q424-Y436 VanDerWaalsContact NE2-CE2 3.26Å; Q424-Y436 PolarHBondContact NE2-OH 3.33Å; G428-Y436 WeakPolarHBondContact O-CB 3.26Å; G428-Y436 PolarHBondContact O-N 3.08Å; Q434-Y436 HydrophobicContact CG-CD1 4.24Å; Q434-Y436 HydrophobicContact CG-CE1 3.64Å; Q434-Y436 HydrophobicContact CG-CE2 4.47Å; Y436-R455 PolarHBondContact OH-NE 3.19Å; Y436-R455 VanDerWaalsContact OH-NE 3.13Å; Y436-R455 PolarHBondContact OH-NH1 3.36Å; Y436-R455 PolarHBondContact OH-NH2 2.86Å
437	T	81.9	Confident	74.5	Confident	34 Å²	34	59.9 Å²	59.9	21%	0.209	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-113.6	152.9	172.4	-55	0	0	0	0	109.6	G422 V423 Q424 D441 V442 K446	G422-T437 PolarHBondContact O-N 3.45Å; V423-T437 VanDerWaalsContact CA-O 3.28Å; V423-T437 WeakPolarHBondContact CA-O 3.38Å; Q424-T437 PolarHBondContact N-O 3.38Å; T437-D441 HydrophobicContact CG2-CB 3.69Å; T437-D441 WeakPolarHBondContact CG2-OD2 3.37Å; T437-V442 HydrophobicContact CG2-CG2 3.58Å; T437-K446 VanDerWaalsContact CG2-NZ 3.31Å
438	T	88.6	Confident	76.2	Confident	41 Å²	41	56.1 Å²	56.1	25%	0.252	31%	0.309	S	S	.	.			trans	-74.3	152.5	176.3	65	0	0	0	0	112.1	Q424 E440 D441 V442	Q424-T438 WeakPolarHBondContact O-CA 3.44Å; T438-E440 PolarHBondContact O-N 2.95Å; T438-D441 PolarHBondContact O-N 3.12Å; T438-D441 WeakPolarHBondContact OG1-CB 3.43Å; T438-D441 PolarHBondContact OG1-N 2.97Å; T438-V442 WeakPolarHBondContact O-CG2 3.5Å; T438-V442 PolarHBondContact O-N 3.5Å; T438-V442 VanDerWaalsContact O-N 3.08Å
439	P	92.6	Very high	77.9	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-55.3	-40.1	174.7	-26.1	34	0	0	0	113.1	V423 V442 I443 I451 Y470 S473	V423-P439 HydrophobicContact CG1-CB 4.31Å; V423-P439 HydrophobicContact CG1-CG 3.71Å; P439-V442 PolarHBondContact O-N 3.48Å; P439-I443 WeakPolarHBondContact O-CB 3.47Å; P439-I443 WeakPolarHBondContact O-CG1 3.33Å; P439-I443 PolarHBondContact O-N 3.49Å; P439-I451 HydrophobicContact CB-CD1 3.94Å; P439-I451 HydrophobicContact CB-CG2 4.33Å; P439-I451 HydrophobicContact CG-CD1 4.17Å; P439-Y470 HydrophobicContact CG-CD1 3.8Å; P439-Y470 HydrophobicContact CG-CE1 4.16Å; P439-S473 WeakPolarHBondContact CB-OG 3.26Å
440	E	90	Very high	79.6	Confident	83 Å²	83	51.7 Å²	51.7	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-49.1	177.1	173.5	168.4	-149	0	0	112.3	T438 V442 Y444 R480	T438-E440 PolarHBondContact O-N 2.95Å; E440-V442 VanDerWaalsContact C-N 3.33Å; E440-V442 PolarHBondContact O-N 2.61Å; E440-Y444 WeakPolarHBondContact O-CA 3.22Å; E440-Y444 WeakPolarHBondContact O-CB 3.37Å; E440-Y444 PolarHBondContact O-N 3.24Å; E440-R480 IonicContact OE1-CZ 3.97Å; E440-R480 IonicContact OE1-NH1 2.83Å; E440-R480 PolarHBondContact OE1-NH1 3.35Å; E440-R480 IonicContact OE1-NH2 2.83Å; E440-R480 PolarHBondContact OE1-NH2 3.47Å
441	D	85.7	Confident	81.3	Confident	42 Å²	42	49.7 Å²	49.7	23%	0.225	25%	0.252	C	S	.	.	I	π-helix	trans	-66.2	-38.7	-179.3	-176.5	63.5	0	0	0	111.5	T437 T438 N445 K446	T437-D441 HydrophobicContact CG2-CB 3.69Å; T437-D441 WeakPolarHBondContact CG2-OD2 3.37Å; T438-D441 PolarHBondContact O-N 3.12Å; T438-D441 WeakPolarHBondContact OG1-CB 3.43Å; T438-D441 PolarHBondContact OG1-N 2.97Å; D441-N445 WeakPolarHBondContact O-CB 3.46Å; D441-N445 PolarHBondContact O-N 3.29Å; D441-N445 WeakPolarHBondContact OD1-CB 3.49Å; D441-N445 PolarHBondContact OD1-ND2 3.39Å; D441-K446 WeakPolarHBondContact O-CB 3.44Å; D441-K446 WeakPolarHBondContact O-CG 3.38Å; D441-K446 PolarHBondContact O-N 3.33Å; D441-K446 WeakPolarHBondContact OD2-CD 3.38Å; D441-K446 WeakPolarHBondContact OD2-CE 3.39Å; D441-K446 IonicContact OD2-NZ 3.03Å; D441-K446 PolarHBondContact OD2-NZ 3.32Å
442	V	90.8	Very high	84.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-64.3	-49.1	177.4	168.8	0	0	0	0	112.5	T420 V423 T437 T438 P439 E440 K446 G447 S448 I451	T420-V442 VanDerWaalsContact CB-CG1 3.49Å; T420-V442 HydrophobicContact CG2-CB 4.46Å; T420-V442 HydrophobicContact CG2-CG1 3.68Å; T420-V442 HydrophobicContact CG2-CG2 3.86Å; V423-V442 HydrophobicContact CG2-CG2 3.95Å; T437-V442 HydrophobicContact CG2-CG2 3.58Å; T438-V442 WeakPolarHBondContact O-CG2 3.5Å; T438-V442 PolarHBondContact O-N 3.5Å; T438-V442 VanDerWaalsContact O-N 3.08Å; P439-V442 PolarHBondContact O-N 3.48Å; E440-V442 VanDerWaalsContact C-N 3.33Å; E440-V442 PolarHBondContact O-N 2.61Å; V442-K446 CarbonylContact O-C 3.36Å; V442-K446 WeakPolarHBondContact O-CB 3.34Å; V442-G447 PolarHBondContact O-N 3.43Å; V442-S448 VanDerWaalsContact O-CB 3.3Å; V442-S448 WeakPolarHBondContact O-CB 3.38Å; V442-S448 PolarHBondContact O-N 2.92Å; V442-I451 HydrophobicContact CB-CG2 4.31Å; V442-I451 HydrophobicContact CG1-CG2 3.91Å
443	I	94.4	Very high	86.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-81.3	-52.5	-175.1	-61.4	-60.9	0	0	0	110.7	P439 G447 S448 D449 I451 A477 R481	P439-I443 WeakPolarHBondContact O-CB 3.47Å; P439-I443 WeakPolarHBondContact O-CG1 3.33Å; P439-I443 PolarHBondContact O-N 3.49Å; I443-G447 WeakPolarHBondContact O-CA 3.29Å; I443-G447 PolarHBondContact O-N 3.36Å; I443-S448 VanDerWaalsContact CD1-O 3.25Å; I443-S448 WeakPolarHBondContact CD1-O 3.42Å; I443-D449 WeakPolarHBondContact CD1-O 3.31Å; I443-I451 HydrophobicContact CD1-CG2 3.9Å; I443-I451 HydrophobicContact CG1-CG2 3.85Å; I443-A477 HydrophobicContact CB-CB 3.8Å; I443-A477 HydrophobicContact CG2-CB 3.88Å; I443-R481 VanDerWaalsContact O-CD 3.32Å; I443-R481 WeakPolarHBondContact O-CD 3.3Å; I443-R481 PolarHBondContact O-NH1 3.11Å
444	Y	88.5	Confident	88.8	Confident	102 Å²	102	33.1 Å²	33.1	40%	0.4	17%	0.167	S	C	.	.	I	π-helix	trans	-78.1	-58.5	-172.7	-173.9	-92.2	0	0	0	112.4	E440 R480 R481	E440-Y444 WeakPolarHBondContact O-CA 3.22Å; E440-Y444 WeakPolarHBondContact O-CB 3.37Å; E440-Y444 PolarHBondContact O-N 3.24Å; Y444-R480 HydrophobicContact CD2-CB 3.97Å; Y444-R480 HydrophobicContact CE2-CB 3.92Å; Y444-R481 HydrophobicContact CD2-CB 3.85Å; Y444-R481 HydrophobicContact CE2-CB 4.36Å
445	N	81.3	Confident	90.2	Very high	104 Å²	104	35.1 Å²	35.1	56%	0.556	17%	0.173	S	C	*	.	I	π-helix	trans	-75.7	-41.7	-173.8	-65.3	-37.6	0	0	0	112.4	D441	D441-N445 WeakPolarHBondContact O-CB 3.46Å; D441-N445 PolarHBondContact O-N 3.29Å; D441-N445 WeakPolarHBondContact OD1-CB 3.49Å; D441-N445 PolarHBondContact OD1-ND2 3.39Å
446	K	87.5	Confident	91.5	Very high	69 Å²	69	31 Å²	31	30%	0.3	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.3	-174.6	-69.6	170.9	171.9	158.8	0	113.7	A407 K409 T437 D441 V442 S448	A407-K446 WeakPolarHBondContact O-CD 3.47Å; K409-K446 WeakPolarHBondContact CB-O 3.26Å; K409-K446 PolarHBondContact N-O 3.04Å; T437-K446 VanDerWaalsContact CG2-NZ 3.31Å; D441-K446 WeakPolarHBondContact O-CB 3.44Å; D441-K446 WeakPolarHBondContact O-CG 3.38Å; D441-K446 PolarHBondContact O-N 3.33Å; D441-K446 WeakPolarHBondContact OD2-CD 3.38Å; D441-K446 WeakPolarHBondContact OD2-CE 3.39Å; D441-K446 IonicContact OD2-NZ 3.03Å; D441-K446 PolarHBondContact OD2-NZ 3.32Å; V442-K446 CarbonylContact O-C 3.36Å; V442-K446 WeakPolarHBondContact O-CB 3.34Å; K446-S448 VanDerWaalsContact C-N 3.32Å; K446-S448 PolarHBondContact O-N 2.97Å
447	G	93	Very high	92.4	Very high	14 Å²	14	29.7 Å²	29.7	14%	0.144	15%	0.154	C	C	.	.			trans	72.2	18.8	170.7	0	0	0	0	0	115.2	V442 I443 R481	V442-G447 PolarHBondContact O-N 3.43Å; I443-G447 WeakPolarHBondContact O-CA 3.29Å; I443-G447 PolarHBondContact O-N 3.36Å; G447-R481 VanDerWaalsContact CA-NH1 3.26Å; G447-R481 PolarHBondContact O-NH1 3.04Å
448	S	96.4	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.			trans	-75.4	160.7	177.8	-162.8	0	0	0	0	112.3	H418 T420 V442 I443 K446 R481	H418-S448 PolarHBondContact O-OG 2.97Å; H418-S448 VanDerWaalsContact O-OG 3.04Å; T420-S448 WeakPolarHBondContact OG1-CB 3.31Å; T420-S448 PolarHBondContact OG1-OG 3.04Å; V442-S448 VanDerWaalsContact O-CB 3.3Å; V442-S448 WeakPolarHBondContact O-CB 3.38Å; V442-S448 PolarHBondContact O-N 2.92Å; I443-S448 VanDerWaalsContact CD1-O 3.25Å; I443-S448 WeakPolarHBondContact CD1-O 3.42Å; K446-S448 VanDerWaalsContact C-N 3.32Å; K446-S448 PolarHBondContact O-N 2.97Å; S448-R481 PolarHBondContact O-NH1 3.37Å
449	D	98.3	Very high	93.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	-97.4	-42.1	-178.2	-64.1	-47.9	0	0	0	113.1	Y231 R234 N257 L417 H418 I443 R481	Y231-D449 HydrophobicContact CE1-CB 4.14Å; Y231-D449 PolarHBondContact OH-O 3.39Å; R234-D449 IonicContact CZ-OD1 3.36Å; R234-D449 IonicContact CZ-OD2 2.9Å; R234-D449 IonicContact NH1-OD1 3.99Å; R234-D449 PolarHBondContact NH1-OD1 2.8Å; R234-D449 IonicContact NH1-OD2 2.95Å; R234-D449 PolarHBondContact NH1-OD2 3.12Å; R234-D449 IonicContact NH2-OD1 3.01Å; R234-D449 IonicContact NH2-OD2 3.79Å; R234-D449 PolarHBondContact NH2-OD2 2.98Å; N257-D449 VanDerWaalsContact CB-O 3.27Å; N257-D449 WeakPolarHBondContact CB-O 3.46Å; N257-D449 PolarHBondContact ND2-O 3.34Å; L417-D449 WeakPolarHBondContact CA-OD2 3.48Å; H418-D449 PolarHBondContact N-OD2 3.22Å; H418-D449 IonicContact ND1-OD2 3.01Å; H418-D449 WeakPolarHBondContact O-CA 3.41Å; H418-D449 VanDerWaalsContact O-CB 3.31Å; H418-D449 WeakPolarHBondContact O-CB 3.43Å; H418-D449 PolarHBondContact O-N 3.17Å; I443-D449 WeakPolarHBondContact CD1-O 3.31Å; D449-R481 IonicContact OD1-NH2 2.73Å; D449-R481 PolarHBondContact OD1-NH2 2.92Å
450	V	98.7	Very high	93.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.5	-171.8	178.9	0	0	0	0	109.8	M251 N257 C259 H418 M419 T420	M251-V450 HydrophobicContact CE-CG2 3.82Å; M251-V450 HydrophobicContact SD-CG2 4.02Å; N257-V450 WeakPolarHBondContact O-CA 3.37Å; N257-V450 WeakPolarHBondContact O-CG1 3.47Å; C259-V450 HydrophobicContact CB-CG1 3.59Å; H418-V450 PolarHBondContact O-N 3.47Å; M419-V450 WeakPolarHBondContact CA-O 3.14Å; M419-V450 HydrophobicContact CB-CB 4.22Å; M419-V450 HydrophobicContact CG-CB 3.95Å; M419-V450 HydrophobicContact CG-CG2 4.3Å; T420-V450 PolarHBondContact N-O 2.89Å
451	I	98.4	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.5	169.4	58.4	179.9	0	0	0	109.9	N257 L258 C259 V423 P439 V442 I443 V453 Y470	N257-I451 PolarHBondContact O-N 3.46Å; L258-I451 HydrophobicContact CD1-CD1 4.05Å; L258-I451 HydrophobicContact CD1-CG1 3.89Å; C259-I451 WeakPolarHBondContact CB-O 3.13Å; C259-I451 PolarHBondContact N-O 3.24Å; V423-I451 HydrophobicContact CB-CB 4.39Å; V423-I451 HydrophobicContact CG1-CB 4.15Å; V423-I451 HydrophobicContact CG1-CG2 4.15Å; V423-I451 HydrophobicContact CG2-CB 4.13Å; V423-I451 HydrophobicContact CG2-CG2 4.18Å; P439-I451 HydrophobicContact CB-CD1 3.94Å; P439-I451 HydrophobicContact CB-CG2 4.33Å; P439-I451 HydrophobicContact CG-CD1 4.17Å; V442-I451 HydrophobicContact CB-CG2 4.31Å; V442-I451 HydrophobicContact CG1-CG2 3.91Å; I443-I451 HydrophobicContact CD1-CG2 3.9Å; I443-I451 HydrophobicContact CG1-CG2 3.85Å; I451-V453 HydrophobicContact CB-CG2 4.4Å; I451-V453 HydrophobicContact CD1-CG2 4.24Å; I451-V453 HydrophobicContact CG1-CG2 4.24Å; I451-Y470 HydrophobicContact CD1-CD1 4.38Å
452	I	98.5	Very high	94.2	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.8	173.9	-56.8	168.8	0	0	0	108.6	C259 K285 F314 I405 M419 T420 P421	C259-I452 HydrophobicContact CB-CG1 3.94Å; C259-I452 WeakPolarHBondContact O-CA 3.44Å; K285-I452 HydrophobicContact CD-CG2 3.93Å; F314-I452 HydrophobicContact CE1-CD1 4.31Å; I405-I452 HydrophobicContact CD1-CD1 3.92Å; M419-I452 HydrophobicContact CB-CD1 3.93Å; M419-I452 HydrophobicContact CB-CG1 4.41Å; T420-I452 PolarHBondContact O-N 3.27Å; P421-I452 HydrophobicContact CB-CB 4.14Å; P421-I452 HydrophobicContact CB-CD1 4.46Å; P421-I452 HydrophobicContact CB-CG2 4.41Å
453	V	97.9	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.8	-172.3	-174.3	0	0	0	0	110.4	L258 C259 V260 S261 V423 I451 I457 Y470	L258-V453 HydrophobicContact CD1-CB 4.07Å; L258-V453 HydrophobicContact CD1-CG2 3.71Å; C259-V453 PolarHBondContact O-N 3.01Å; V260-V453 WeakPolarHBondContact CA-O 3.45Å; S261-V453 PolarHBondContact N-O 3.33Å; V423-V453 HydrophobicContact CB-CG2 4.08Å; V423-V453 HydrophobicContact CG1-CG2 4.19Å; I451-V453 HydrophobicContact CB-CG2 4.4Å; I451-V453 HydrophobicContact CD1-CG2 4.24Å; I451-V453 HydrophobicContact CG1-CG2 4.24Å; V453-I457 HydrophobicContact CB-CD1 3.89Å; V453-I457 HydrophobicContact CB-CG1 4.5Å; V453-I457 HydrophobicContact CG1-CD1 3.74Å; V453-I457 HydrophobicContact CG1-CG1 3.79Å; V453-Y470 HydrophobicContact CG1-CD1 4.11Å; V453-Y470 HydrophobicContact CG1-CD2 3.98Å; V453-Y470 HydrophobicContact CG1-CE1 3.88Å; V453-Y470 HydrophobicContact CG1-CE2 3.79Å; V453-Y470 HydrophobicContact CG1-CG 4.17Å; V453-Y470 HydrophobicContact CG2-CD1 3.67Å; V453-Y470 HydrophobicContact CG2-CE1 4.02Å; V453-Y470 HydrophobicContact CG2-CG 4.04Å
454	G	96.3	Very high	94.7	Very high	14 Å²	14	46.9 Å²	46.9	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	-106.7	-100.2	175.4	0	0	0	0	0	112.2	G456 I457 L458	G454-G456 PolarHBondContact O-N 2.84Å; G454-I457 PolarHBondContact O-N 2.78Å; G454-L458 PolarHBondContact O-N 3.29Å
455	R	92.8	Very high	95.1	Very high	86 Å²	86	48.4 Å²	48.4	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-47	-37.7	-177.7	-77.7	176.2	-78.8	179.8	-6.7	115.4	D430 Y436 I457 L458 E459	D430-R455 IonicContact OD2-CZ 2.8Å; D430-R455 IonicContact OD2-NH1 2.74Å; D430-R455 PolarHBondContact OD2-NH1 2.87Å; D430-R455 IonicContact OD2-NH2 3.48Å; D430-R455 PolarHBondContact OD2-NH2 2.88Å; Y436-R455 PolarHBondContact OH-NE 3.19Å; Y436-R455 VanDerWaalsContact OH-NE 3.13Å; Y436-R455 PolarHBondContact OH-NH1 3.36Å; Y436-R455 PolarHBondContact OH-NH2 2.86Å; R455-I457 PolarHBondContact O-N 2.75Å; R455-L458 PolarHBondContact O-N 3.06Å; R455-E459 HydrophobicContact CB-CG 4.17Å; R455-E459 VanDerWaalsContact CD-OE1 3.23Å; R455-E459 WeakPolarHBondContact CD-OE1 3.32Å; R455-E459 HydrophobicContact CG-CG 4.21Å; R455-E459 VanDerWaalsContact CG-OE1 3.25Å; R455-E459 WeakPolarHBondContact CG-OE1 3.21Å; R455-E459 WeakPolarHBondContact O-CB 3.27Å; R455-E459 PolarHBondContact O-N 3Å
456	G	92.9	Very high	95.9	Very high	21 Å²	21	44.2 Å²	44.2	22%	0.216	24%	0.24	C	C	.	.	H	α-helix	trans	-56.3	-22.3	176.9	0	0	0	0	0	114.5	G454	G454-G456 PolarHBondContact O-N 2.84Å
457	I	97.1	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-104.9	-46.1	172.5	-68.5	167.8	0	0	0	110.6	L258 V260 L277 V453 G454 R455 E459 A460 R463 A466 A467 Y470	L258-I457 HydrophobicContact CD1-CD1 4.27Å; L258-I457 HydrophobicContact CD2-CD1 4.2Å; V260-I457 HydrophobicContact CG2-CD1 3.69Å; L277-I457 HydrophobicContact CD1-CG2 3.94Å; V453-I457 HydrophobicContact CB-CD1 3.89Å; V453-I457 HydrophobicContact CB-CG1 4.5Å; V453-I457 HydrophobicContact CG1-CD1 3.74Å; V453-I457 HydrophobicContact CG1-CG1 3.79Å; G454-I457 PolarHBondContact O-N 2.78Å; R455-I457 PolarHBondContact O-N 2.75Å; I457-E459 VanDerWaalsContact C-N 3.32Å; I457-E459 PolarHBondContact O-N 2.84Å; I457-A460 WeakPolarHBondContact O-CB 3.35Å; I457-A460 PolarHBondContact O-N 3.44Å; I457-R463 HydrophobicContact CG2-CB 4.23Å; I457-R463 WeakPolarHBondContact O-CG 3.37Å; I457-A466 HydrophobicContact CG1-CB 4.27Å; I457-A467 HydrophobicContact CD1-CB 4.09Å; I457-A467 HydrophobicContact CG2-CB 4.38Å; I457-Y470 HydrophobicContact CD1-CD2 3.88Å; I457-Y470 HydrophobicContact CD1-CG 4.44Å; I457-Y470 HydrophobicContact CG1-CD2 3.57Å; I457-Y470 HydrophobicContact CG1-CE2 3.84Å
458	L	96.4	Very high	96.6	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-31.5	-172.6	-62.2	-176.1	0	0	0	114.3	S261 D263 V264 L273 G454 R455 R463	S261-L458 WeakPolarHBondContact O-CD1 2.99Å; D263-L458 HydrophobicContact CB-CD1 4.33Å; V264-L458 HydrophobicContact CG1-CD1 4.43Å; L273-L458 HydrophobicContact CD1-CD2 3.66Å; L273-L458 HydrophobicContact CD2-CD2 4.21Å; G454-L458 PolarHBondContact O-N 3.29Å; R455-L458 PolarHBondContact O-N 3.06Å; L458-R463 PolarHBondContact O-NE 2.76Å; L458-R463 VanDerWaalsContact O-NE 3.12Å; L458-R463 PolarHBondContact O-NH2 2.91Å
459	E	95.2	Very high	96.6	Very high	144 Å²	144	44.5 Å²	44.5	67%	0.673	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.3	179.9	-60.9	176.5	171.8	0	0	112.6	R455 I457	R455-E459 HydrophobicContact CB-CG 4.17Å; R455-E459 VanDerWaalsContact CD-OE1 3.23Å; R455-E459 WeakPolarHBondContact CD-OE1 3.32Å; R455-E459 HydrophobicContact CG-CG 4.21Å; R455-E459 VanDerWaalsContact CG-OE1 3.25Å; R455-E459 WeakPolarHBondContact CG-OE1 3.21Å; R455-E459 WeakPolarHBondContact O-CB 3.27Å; R455-E459 PolarHBondContact O-N 3Å; I457-E459 VanDerWaalsContact C-N 3.32Å; I457-E459 PolarHBondContact O-N 2.84Å
460	A	94.7	Very high	96.6	Very high	31 Å²	31	44.8 Å²	44.8	26%	0.256	25%	0.245	S	C	.	.	S	Bend	trans	-71.2	144.9	175.7	0	0	0	0	0	110.9	I457 D462 A466	I457-A460 WeakPolarHBondContact O-CB 3.35Å; I457-A460 PolarHBondContact O-N 3.44Å; A460-D462 VanDerWaalsContact C-N 3.28Å; A460-D462 PolarHBondContact O-N 3.09Å; A460-A466 HydrophobicContact CB-CB 3.59Å
461	S	93.9	Very high	96.6	Very high	138 Å²	138	46.2 Å²	46.2	97%	0.965	25%	0.251	S	S	*	.	S	Bend	trans	-62.6	-37.3	174.4	51.8	0	0	0	0	112.1
462	D	96.4	Very high	96.6	Very high	73 Å²	73	51.3 Å²	51.3	39%	0.39	27%	0.273	S	S	.	.	S	Bend	trans	-117.8	102.6	169.8	-170.2	-32	0	0	0	109	A460 L464 E465 A466	A460-D462 VanDerWaalsContact C-N 3.28Å; A460-D462 PolarHBondContact O-N 3.09Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.27Å; D462-L464 WeakPolarHBondContact OD1-CB 3.49Å; D462-L464 PolarHBondContact OD1-N 3.42Å; D462-E465 HydrophobicContact CB-CB 3.91Å; D462-E465 PolarHBondContact OD1-N 3.08Å; D462-A466 WeakPolarHBondContact O-CB 2.86Å; D462-A466 PolarHBondContact O-N 3.08Å; D462-A466 VanDerWaalsContact O-N 3.08Å
463	R	97.7	Very high	96.5	Very high	79 Å²	79	52.9 Å²	52.9	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-69	-30.8	-178.3	-57	-175.6	173.6	166.6	-7.5	111.8	E269 I457 L458 A467	E269-R463 IonicContact OE1-CZ 3.38Å; E269-R463 IonicContact OE1-NH1 3.36Å; E269-R463 PolarHBondContact OE1-NH1 3Å; E269-R463 IonicContact OE1-NH2 2.92Å; E269-R463 PolarHBondContact OE1-NH2 3.23Å; I457-R463 HydrophobicContact CG2-CB 4.23Å; I457-R463 WeakPolarHBondContact O-CG 3.37Å; L458-R463 PolarHBondContact O-NE 2.76Å; L458-R463 VanDerWaalsContact O-NE 3.12Å; L458-R463 PolarHBondContact O-NH2 2.91Å; R463-A467 WeakPolarHBondContact O-CB 3.48Å; R463-A467 PolarHBondContact O-N 3.09Å
464	L	97.4	Very high	96.4	Very high	77 Å²	77	52.9 Å²	52.9	40%	0.403	28%	0.284	S	S	.	.	H	α-helix	trans	-74.4	-45.1	-179.3	178.8	61.5	0	0	0	110.6	S276 L277 K280 D462 A466 A467 E468	S276-L464 WeakPolarHBondContact O-CD1 2.87Å; L277-L464 HydrophobicContact CD2-CB 4.27Å; L277-L464 HydrophobicContact CD2-CD1 4.09Å; K280-L464 HydrophobicContact CG-CD1 3.95Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.27Å; D462-L464 WeakPolarHBondContact OD1-CB 3.49Å; D462-L464 PolarHBondContact OD1-N 3.42Å; L464-A466 VanDerWaalsContact C-N 3.34Å; L464-A467 PolarHBondContact O-N 3.48Å; L464-E468 PolarHBondContact O-N 3.04Å
465	E	97	Very high	96.5	Very high	135 Å²	135	52.5 Å²	52.5	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-60.9	-44.2	173.9	-172.3	-178.3	-173.3	0	0	111	D462 A467 E468 S469	D462-E465 HydrophobicContact CB-CB 3.91Å; D462-E465 PolarHBondContact OD1-N 3.08Å; E465-A467 PolarHBondContact O-N 2.81Å; E465-E468 PolarHBondContact O-N 3.1Å; E465-S469 PolarHBondContact O-N 2.94Å
466	A	97.3	Very high	96.7	Very high	15 Å²	15	51.7 Å²	51.7	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-48.7	175.7	0	0	0	0	0	111.7	I457 A460 D462 L464 E468 S469 Y470	I457-A466 HydrophobicContact CG1-CB 4.27Å; A460-A466 HydrophobicContact CB-CB 3.59Å; D462-A466 WeakPolarHBondContact O-CB 2.86Å; D462-A466 PolarHBondContact O-N 3.08Å; D462-A466 VanDerWaalsContact O-N 3.08Å; L464-A466 VanDerWaalsContact C-N 3.34Å; A466-E468 VanDerWaalsContact C-N 3.34Å; A466-E468 PolarHBondContact O-N 3.03Å; A466-S469 WeakPolarHBondContact O-CB 3.33Å; A466-S469 PolarHBondContact O-N 3.37Å; A466-S469 VanDerWaalsContact O-N 3.15Å; A466-Y470 WeakPolarHBondContact O-CD2 3.44Å; A466-Y470 PolarHBondContact O-N 2.82Å
467	A	97.8	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-42.6	177.5	0	0	0	0	0	112.2	L258 L277 I457 R463 L464 E465 S469 Y470 R471	L258-A467 HydrophobicContact CD2-CB 4.24Å; L258-A467 VanDerWaalsContact CD2-O 3.25Å; L258-A467 WeakPolarHBondContact CD2-O 3.41Å; L277-A467 HydrophobicContact CD2-CB 3.87Å; I457-A467 HydrophobicContact CD1-CB 4.09Å; I457-A467 HydrophobicContact CG2-CB 4.38Å; R463-A467 WeakPolarHBondContact O-CB 3.48Å; R463-A467 PolarHBondContact O-N 3.09Å; L464-A467 PolarHBondContact O-N 3.48Å; E465-A467 PolarHBondContact O-N 2.81Å; A467-S469 VanDerWaalsContact C-N 3.31Å; A467-S469 PolarHBondContact O-N 2.98Å; A467-Y470 PolarHBondContact O-N 3.39Å; A467-R471 WeakPolarHBondContact O-CB 3.48Å; A467-R471 PolarHBondContact O-N 3.3Å
468	E	97.7	Very high	96.7	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.159	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-39.3	175.4	-176.7	63.2	-162.3	0	0	111.7	K280 L464 E465 A466 R471 K472	K280-E468 WeakPolarHBondContact CD-OE2 3.43Å; K280-E468 WeakPolarHBondContact CE-OE2 3.18Å; K280-E468 IonicContact NZ-OE1 2.64Å; K280-E468 IonicContact NZ-OE2 3.88Å; K280-E468 PolarHBondContact NZ-OE2 3.4Å; L464-E468 PolarHBondContact O-N 3.04Å; E465-E468 PolarHBondContact O-N 3.1Å; A466-E468 VanDerWaalsContact C-N 3.34Å; A466-E468 PolarHBondContact O-N 3.03Å; E468-R471 PolarHBondContact O-N 3.16Å; E468-R471 IonicContact OE1-CZ 3.33Å; E468-R471 IonicContact OE1-NE 3.94Å; E468-R471 PolarHBondContact OE1-NE 3.25Å; E468-R471 IonicContact OE1-NH2 3.47Å; E468-R471 PolarHBondContact OE1-NH2 3.06Å; E468-R471 IonicContact OE2-NE 2.7Å; E468-R471 PolarHBondContact OE2-NE 3.5Å; E468-R471 IonicContact OE2-NH2 3.17Å; E468-K472 WeakPolarHBondContact O-CG 3.05Å; E468-K472 PolarHBondContact O-N 3.14Å; E468-K472 WeakPolarHBondContact OE1-CE 3.46Å
469	S	97.1	Very high	96.6	Very high	55 Å²	55	51 Å²	51	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-42.8	175.9	-172.3	0	0	0	0	112.4	I425 E465 A466 A467 S473	I425-S469 VanDerWaalsContact CD1-OG 3.28Å; I425-S469 WeakPolarHBondContact CD1-OG 3.13Å; E465-S469 PolarHBondContact O-N 2.94Å; A466-S469 WeakPolarHBondContact O-CB 3.33Å; A466-S469 PolarHBondContact O-N 3.37Å; A466-S469 VanDerWaalsContact O-N 3.15Å; A467-S469 VanDerWaalsContact C-N 3.31Å; A467-S469 PolarHBondContact O-N 2.98Å; S469-S473 WeakPolarHBondContact O-CB 3.48Å; S469-S473 PolarHBondContact O-N 3.22Å
470	Y	98.3	Very high	96.3	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-41.2	175.8	-79.4	-77.6	0	0	0	111.8	V423 Q424 I425 P439 I451 V453 I457 A466 A467 S473 G474	V423-Y470 HydrophobicContact CG1-CE1 4.42Å; Q424-Y470 VanDerWaalsContact CA-OH 3.32Å; Q424-Y470 WeakPolarHBondContact CA-OH 3.47Å; I425-Y470 HydrophobicContact CD1-CE2 4.25Å; I425-Y470 HydrophobicContact CG1-CD1 4.18Å; I425-Y470 HydrophobicContact CG1-CE1 3.68Å; I425-Y470 HydrophobicContact CG1-CE2 4.19Å; I425-Y470 PolarHBondContact N-OH 2.93Å; P439-Y470 HydrophobicContact CG-CD1 3.8Å; P439-Y470 HydrophobicContact CG-CE1 4.16Å; I451-Y470 HydrophobicContact CD1-CD1 4.38Å; V453-Y470 HydrophobicContact CG1-CD1 4.11Å; V453-Y470 HydrophobicContact CG1-CD2 3.98Å; V453-Y470 HydrophobicContact CG1-CE1 3.88Å; V453-Y470 HydrophobicContact CG1-CE2 3.79Å; V453-Y470 HydrophobicContact CG1-CG 4.17Å; V453-Y470 HydrophobicContact CG2-CD1 3.67Å; V453-Y470 HydrophobicContact CG2-CE1 4.02Å; V453-Y470 HydrophobicContact CG2-CG 4.04Å; I457-Y470 HydrophobicContact CD1-CD2 3.88Å; I457-Y470 HydrophobicContact CD1-CG 4.44Å; I457-Y470 HydrophobicContact CG1-CD2 3.57Å; I457-Y470 HydrophobicContact CG1-CE2 3.84Å; A466-Y470 WeakPolarHBondContact O-CD2 3.44Å; A466-Y470 PolarHBondContact O-N 2.82Å; A467-Y470 PolarHBondContact O-N 3.39Å; Y470-S473 PolarHBondContact O-N 2.86Å; Y470-G474 PolarHBondContact O-N 3.18Å
471	R	98.4	Very high	96	Very high	30 Å²	30	50.1 Å²	50.1	11%	0.113	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-53.6	176.5	-173.8	-163.6	71.5	80.6	-2.4	110.9	E255 L258 K280 A467 E468 S473 G474 W475	E255-R471 PolarHBondContact O-NH1 3.25Å; L258-R471 HydrophobicContact CB-CB 4.47Å; L258-R471 HydrophobicContact CD2-CB 4.21Å; K280-R471 WeakPolarHBondContact O-CD 3.31Å; A467-R471 WeakPolarHBondContact O-CB 3.48Å; A467-R471 PolarHBondContact O-N 3.3Å; E468-R471 PolarHBondContact O-N 3.16Å; E468-R471 IonicContact OE1-CZ 3.33Å; E468-R471 IonicContact OE1-NE 3.94Å; E468-R471 PolarHBondContact OE1-NE 3.25Å; E468-R471 IonicContact OE1-NH2 3.47Å; E468-R471 PolarHBondContact OE1-NH2 3.06Å; E468-R471 IonicContact OE2-NE 2.7Å; E468-R471 PolarHBondContact OE2-NE 3.5Å; E468-R471 IonicContact OE2-NH2 3.17Å; R471-S473 PolarHBondContact O-N 3.12Å; R471-G474 PolarHBondContact O-N 2.95Å; R471-W475 VanDerWaalsContact O-CB 3.31Å; R471-W475 WeakPolarHBondContact O-CB 3.41Å; R471-W475 PolarHBondContact O-N 2.96Å
472	K	97.4	Very high	95.4	Very high	108 Å²	108	44.5 Å²	44.5	47%	0.47	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-48.4	178.1	-73.2	-177.6	-179.3	-179.3	0	111.6	E468 G474 W475 D476	E468-K472 WeakPolarHBondContact O-CG 3.05Å; E468-K472 PolarHBondContact O-N 3.14Å; E468-K472 WeakPolarHBondContact OE1-CE 3.46Å; K472-G474 PolarHBondContact O-N 3.04Å; K472-W475 PolarHBondContact O-N 3.4Å; K472-D476 WeakPolarHBondContact O-CB 3.48Å; K472-D476 VanDerWaalsContact O-CG 3.23Å; K472-D476 PolarHBondContact O-N 2.75Å
473	S	96.3	Very high	94.1	Very high	39 Å²	39	43.9 Å²	43.9	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-43	-178.9	-172.9	0	0	0	0	112.8	P439 S469 Y470 R471 A477	P439-S473 WeakPolarHBondContact CB-OG 3.26Å; S469-S473 WeakPolarHBondContact O-CB 3.48Å; S469-S473 PolarHBondContact O-N 3.22Å; Y470-S473 PolarHBondContact O-N 2.86Å; R471-S473 PolarHBondContact O-N 3.12Å; S473-A477 VanDerWaalsContact O-CB 3.3Å; S473-A477 WeakPolarHBondContact O-CB 3.31Å; S473-A477 PolarHBondContact O-N 3.34Å
474	G	97.1	Very high	92.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-42.6	175.5	0	0	0	0	0	112.7	N257 Y470 R471 K472 Y478	N257-G474 VanDerWaalsContact ND2-C 3.34Å; N257-G474 PolarHBondContact ND2-O 3.46Å; N257-G474 VanDerWaalsContact OD1-CA 3.31Å; N257-G474 WeakPolarHBondContact OD1-CA 3.23Å; N257-G474 PolarHBondContact OD1-O 3.38Å; Y470-G474 PolarHBondContact O-N 3.18Å; R471-G474 PolarHBondContact O-N 2.95Å; K472-G474 PolarHBondContact O-N 3.04Å; G474-Y478 PolarHBondContact O-N 3.44Å
475	W	97.9	Very high	89.3	Confident	7 Å²	7	44.9 Å²	44.9	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-44.9	-178.6	-168.2	-111.1	0	0	0	112.5	Y231 M251 E255 N257 R471 K472 A477 Y478 K479	Y231-W475 AromaticContact CD2-CH2 3.84Å; Y231-W475 HydrophobicContact CD2-CH2 3.84Å; Y231-W475 AromaticContact CD2-CZ3 3.58Å; Y231-W475 HydrophobicContact CD2-CZ3 3.58Å; Y231-W475 HydrophobicContact CE2-CE3 4.24Å; Y231-W475 HydrophobicContact CE2-CH2 4.16Å; Y231-W475 AromaticContact CE2-CZ3 3.5Å; Y231-W475 HydrophobicContact CE2-CZ3 3.5Å; M251-W475 VanDerWaalsContact O-CZ3 3.31Å; M251-W475 WeakPolarHBondContact O-CZ3 3.28Å; E255-W475 VanDerWaalsContact C-CD2 3.49Å; E255-W475 VanDerWaalsContact C-CE3 3.4Å; E255-W475 HydrophobicContact CB-CD2 3.85Å; E255-W475 HydrophobicContact CB-CG 4.05Å; E255-W475 HydrophobicContact CB-CZ2 4.01Å; E255-W475 HydrophobicContact CG-CZ2 3.9Å; N257-W475 PolarHBondContact OD1-N 3.42Å; R471-W475 VanDerWaalsContact O-CB 3.31Å; R471-W475 WeakPolarHBondContact O-CB 3.41Å; R471-W475 PolarHBondContact O-N 2.96Å; K472-W475 PolarHBondContact O-N 3.4Å; W475-A477 VanDerWaalsContact C-N 3.28Å; W475-A477 PolarHBondContact O-N 2.9Å; W475-Y478 HydrophobicContact CD2-CD1 4.05Å; W475-Y478 AromaticContact CE3-CD1 3.86Å; W475-Y478 HydrophobicContact CE3-CD1 3.86Å; W475-Y478 HydrophobicContact CE3-CE1 4.4Å; W475-Y478 AromaticContact CH2-CD1 3.83Å; W475-Y478 HydrophobicContact CH2-CD1 3.83Å; W475-Y478 AromaticContact CH2-CE1 3.51Å; W475-Y478 HydrophobicContact CH2-CE1 3.51Å; W475-Y478 HydrophobicContact CZ2-CD1 4.04Å; W475-Y478 AromaticContact CZ2-CE1 3.8Å; W475-Y478 HydrophobicContact CZ2-CE1 3.8Å; W475-Y478 AromaticContact CZ3-CD1 3.77Å; W475-Y478 HydrophobicContact CZ3-CD1 3.77Å; W475-Y478 AromaticContact CZ3-CE1 3.87Å; W475-Y478 HydrophobicContact CZ3-CE1 3.87Å; W475-Y478 CarbonylContact O-C 3.53Å; W475-Y478 WeakPolarHBondContact O-CA 3.44Å; W475-Y478 WeakPolarHBondContact O-CB 3.33Å; W475-Y478 PolarHBondContact O-N 3.28Å; W475-K479 PolarHBondContact O-N 3.4Å
476	D	95.9	Very high	86.4	Confident	68 Å²	68	44.4 Å²	44.4	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-34.8	177.1	-68.8	-25.1	0	0	0	111.7	K472 K479 R480	K472-D476 WeakPolarHBondContact O-CB 3.48Å; K472-D476 VanDerWaalsContact O-CG 3.23Å; K472-D476 PolarHBondContact O-N 2.75Å; D476-K479 WeakPolarHBondContact OD1-CE 3.46Å; D476-K479 IonicContact OD1-NZ 2.73Å; D476-K479 PolarHBondContact OD1-NZ 3.01Å; D476-R480 WeakPolarHBondContact O-CB 3.23Å; D476-R480 VanDerWaalsContact O-CG 3.31Å; D476-R480 WeakPolarHBondContact O-CG 3.33Å; D476-R480 PolarHBondContact O-N 3.12Å; D476-R480 VanDerWaalsContact O-N 3.1Å; D476-R480 PolarHBondContact O-NE 3.36Å
477	A	94.6	Very high	83.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-39.3	171.6	0	0	0	0	0	112	I443 S473 W475 R481	I443-A477 HydrophobicContact CB-CB 3.8Å; I443-A477 HydrophobicContact CG2-CB 3.88Å; S473-A477 VanDerWaalsContact O-CB 3.3Å; S473-A477 WeakPolarHBondContact O-CB 3.31Å; S473-A477 PolarHBondContact O-N 3.34Å; W475-A477 VanDerWaalsContact C-N 3.28Å; W475-A477 PolarHBondContact O-N 2.9Å; A477-R481 WeakPolarHBondContact O-CB 3.45Å; A477-R481 PolarHBondContact O-N 2.92Å; A477-R481 VanDerWaalsContact O-N 3.11Å
478	Y	96.3	Very high	82.5	Confident	1 Å²	1	59.3 Å²	59.3	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-50.2	174.3	158.2	-103.7	0	0	0	111.8	S230 Y231 E252 G474 W475 R480 R481 S482	S230-Y478 WeakPolarHBondContact CA-OH 3.11Å; S230-Y478 WeakPolarHBondContact CB-OH 3.32Å; Y231-Y478 HydrophobicContact CD1-CE2 4.2Å; Y231-Y478 HydrophobicContact CD2-CD1 4.13Å; Y231-Y478 HydrophobicContact CD2-CD2 4.11Å; Y231-Y478 AromaticContact CD2-CE1 3.68Å; Y231-Y478 HydrophobicContact CD2-CE1 3.68Å; Y231-Y478 AromaticContact CD2-CE2 3.65Å; Y231-Y478 HydrophobicContact CD2-CE2 3.65Å; Y231-Y478 HydrophobicContact CD2-CG 4.32Å; Y231-Y478 AromaticContact CD2-CZ 3.4Å; Y231-Y478 HydrophobicContact CE1-CD2 4.14Å; Y231-Y478 HydrophobicContact CE1-CE2 4.04Å; Y231-Y478 AromaticContact CE2-CD1 3.62Å; Y231-Y478 HydrophobicContact CE2-CD1 3.62Å; Y231-Y478 AromaticContact CE2-CD2 3.39Å; Y231-Y478 HydrophobicContact CE2-CD2 3.39Å; Y231-Y478 AromaticContact CE2-CE1 3.66Å; Y231-Y478 HydrophobicContact CE2-CE1 3.66Å; Y231-Y478 AromaticContact CE2-CE2 3.43Å; Y231-Y478 HydrophobicContact CE2-CE2 3.43Å; Y231-Y478 VanDerWaalsContact CE2-CE2 3.43Å; Y231-Y478 AromaticContact CE2-CG 3.47Å; Y231-Y478 HydrophobicContact CE2-CG 3.47Å; Y231-Y478 VanDerWaalsContact CE2-CG 3.47Å; Y231-Y478 AromaticContact CE2-CZ 3.55Å; Y231-Y478 HydrophobicContact CG-CE2 4.04Å; Y231-Y478 AromaticContact CG-CZ 3.97Å; Y231-Y478 AromaticContact CZ-CD2 3.42Å; Y231-Y478 VanDerWaalsContact CZ-CD2 3.42Å; Y231-Y478 AromaticContact CZ-CE2 3.66Å; Y231-Y478 AromaticContact CZ-CG 3.85Å; Y231-Y478 PolarHBondContact N-OH 3.06Å; E252-Y478 PolarHBondContact OE2-OH 3.02Å; G474-Y478 PolarHBondContact O-N 3.44Å; W475-Y478 HydrophobicContact CD2-CD1 4.05Å; W475-Y478 AromaticContact CE3-CD1 3.86Å; W475-Y478 HydrophobicContact CE3-CD1 3.86Å; W475-Y478 HydrophobicContact CE3-CE1 4.4Å; W475-Y478 AromaticContact CH2-CD1 3.83Å; W475-Y478 HydrophobicContact CH2-CD1 3.83Å; W475-Y478 AromaticContact CH2-CE1 3.51Å; W475-Y478 HydrophobicContact CH2-CE1 3.51Å; W475-Y478 HydrophobicContact CZ2-CD1 4.04Å; W475-Y478 AromaticContact CZ2-CE1 3.8Å; W475-Y478 HydrophobicContact CZ2-CE1 3.8Å; W475-Y478 AromaticContact CZ3-CD1 3.77Å; W475-Y478 HydrophobicContact CZ3-CD1 3.77Å; W475-Y478 AromaticContact CZ3-CE1 3.87Å; W475-Y478 HydrophobicContact CZ3-CE1 3.87Å; W475-Y478 CarbonylContact O-C 3.53Å; W475-Y478 WeakPolarHBondContact O-CA 3.44Å; W475-Y478 WeakPolarHBondContact O-CB 3.33Å; W475-Y478 PolarHBondContact O-N 3.28Å; Y478-R480 VanDerWaalsContact C-N 3.32Å; Y478-R480 PolarHBondContact O-N 2.89Å; Y478-R481 CarbonylContact O-C 3.57Å; Y478-R481 WeakPolarHBondContact O-CA 3.39Å; Y478-R481 WeakPolarHBondContact O-CB 3.13Å; Y478-R481 PolarHBondContact O-N 3.22Å; Y478-S482 PolarHBondContact O-N 2.86Å; Y478-S482 PolarHBondContact O-OG 3.37Å
479	K	93.9	Very high	81.7	Confident	26 Å²	26	60.6 Å²	60.6	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-54	-46.6	177.8	-79.4	-164.9	-59	177.4	0	112.3	W475 D476 R481 S482 G483 Q484 D486	W475-K479 PolarHBondContact O-N 3.4Å; D476-K479 WeakPolarHBondContact OD1-CE 3.46Å; D476-K479 IonicContact OD1-NZ 2.73Å; D476-K479 PolarHBondContact OD1-NZ 3.01Å; K479-R481 VanDerWaalsContact C-N 3.29Å; K479-R481 PolarHBondContact O-N 3.23Å; K479-S482 PolarHBondContact O-N 3.11Å; K479-S482 PolarHBondContact O-OG 2.73Å; K479-S482 VanDerWaalsContact O-OG 3.11Å; K479-G483 PolarHBondContact O-N 3.21Å; K479-G483 VanDerWaalsContact O-N 3.08Å; K479-Q484 HydrophobicContact CB-CB 4.45Å; K479-Q484 WeakPolarHBondContact CB-O 3.06Å; K479-Q484 HydrophobicContact CG-CB 4.44Å; K479-Q484 PolarHBondContact O-N 2.58Å; K479-D486 VanDerWaalsContact NZ-CG 3.26Å; K479-D486 IonicContact NZ-OD1 2.71Å; K479-D486 PolarHBondContact NZ-OD1 2.61Å; K479-D486 IonicContact NZ-OD2 3.71Å; K479-D486 PolarHBondContact NZ-OD2 2.79Å
480	R	89.7	Confident	80.9	Confident	122 Å²	122	60.9 Å²	60.9	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-36.3	175	-73.9	-175.3	-64.9	145.3	-7.9	112.7	E440 Y444 D476 Y478	E440-R480 IonicContact OE1-CZ 3.97Å; E440-R480 IonicContact OE1-NH1 2.83Å; E440-R480 PolarHBondContact OE1-NH1 3.35Å; E440-R480 IonicContact OE1-NH2 2.83Å; E440-R480 PolarHBondContact OE1-NH2 3.47Å; Y444-R480 HydrophobicContact CD2-CB 3.97Å; Y444-R480 HydrophobicContact CE2-CB 3.92Å; D476-R480 WeakPolarHBondContact O-CB 3.23Å; D476-R480 VanDerWaalsContact O-CG 3.31Å; D476-R480 WeakPolarHBondContact O-CG 3.33Å; D476-R480 PolarHBondContact O-N 3.12Å; D476-R480 VanDerWaalsContact O-N 3.1Å; D476-R480 PolarHBondContact O-NE 3.36Å; Y478-R480 VanDerWaalsContact C-N 3.32Å; Y478-R480 PolarHBondContact O-N 2.89Å
481	R	87.9	Confident	79.9	Confident	36 Å²	36	63.9 Å²	63.9	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-72.2	-41.6	178.1	-173.4	-176.7	71.6	-176.7	8.1	112.1	I228 I443 Y444 G447 S448 D449 A477 Y478 K479 G483	I228-R481 HydrophobicContact CD1-CG 3.86Å; I443-R481 VanDerWaalsContact O-CD 3.32Å; I443-R481 WeakPolarHBondContact O-CD 3.3Å; I443-R481 PolarHBondContact O-NH1 3.11Å; Y444-R481 HydrophobicContact CD2-CB 3.85Å; Y444-R481 HydrophobicContact CE2-CB 4.36Å; G447-R481 VanDerWaalsContact CA-NH1 3.26Å; G447-R481 PolarHBondContact O-NH1 3.04Å; S448-R481 PolarHBondContact O-NH1 3.37Å; D449-R481 IonicContact OD1-NH2 2.73Å; D449-R481 PolarHBondContact OD1-NH2 2.92Å; A477-R481 WeakPolarHBondContact O-CB 3.45Å; A477-R481 PolarHBondContact O-N 2.92Å; A477-R481 VanDerWaalsContact O-N 3.11Å; Y478-R481 CarbonylContact O-C 3.57Å; Y478-R481 WeakPolarHBondContact O-CA 3.39Å; Y478-R481 WeakPolarHBondContact O-CB 3.13Å; Y478-R481 PolarHBondContact O-N 3.22Å; K479-R481 VanDerWaalsContact C-N 3.29Å; K479-R481 PolarHBondContact O-N 3.23Å; R481-G483 VanDerWaalsContact C-N 3.25Å; R481-G483 PolarHBondContact O-N 2.77Å
482	S	80.6	Confident	78.7	Confident	20 Å²	20	66 Å²	66	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-76.8	-11.1	-179.1	61.2	0	0	0	0	113.2	Y478 K479 Q484	Y478-S482 PolarHBondContact O-N 2.86Å; Y478-S482 PolarHBondContact O-OG 3.37Å; K479-S482 PolarHBondContact O-N 3.11Å; K479-S482 PolarHBondContact O-OG 2.73Å; K479-S482 VanDerWaalsContact O-OG 3.11Å; S482-Q484 VanDerWaalsContact C-N 3.26Å; S482-Q484 WeakPolarHBondContact OG-CG 3.49Å; S482-Q484 PolarHBondContact OG-OE1 3.09Å
483	G	69.7	Low	77.4	Confident	59 Å²	59	63.2 Å²	63.2	61%	0.608	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	13.8	-175	0	0	0	0	0	113.1	K479 R481 S485	K479-G483 PolarHBondContact O-N 3.21Å; K479-G483 VanDerWaalsContact O-N 3.08Å; R481-G483 VanDerWaalsContact C-N 3.25Å; R481-G483 PolarHBondContact O-N 2.77Å; G483-S485 VanDerWaalsContact C-N 3.25Å; G483-S485 PolarHBondContact O-N 3.49Å; G483-S485 VanDerWaalsContact O-N 3.09Å
484	Q	58.1	Low	76.1	Confident	75 Å²	75	64.9 Å²	64.9	35%	0.35	35%	0.346	S	S	.	.			trans	-79	75.3	167.2	-67.6	175.1	-19.6	0	0	108.1	K479 S482	K479-Q484 HydrophobicContact CB-CB 4.45Å; K479-Q484 WeakPolarHBondContact CB-O 3.06Å; K479-Q484 HydrophobicContact CG-CB 4.44Å; K479-Q484 PolarHBondContact O-N 2.58Å; S482-Q484 VanDerWaalsContact C-N 3.26Å; S482-Q484 WeakPolarHBondContact OG-CG 3.49Å; S482-Q484 PolarHBondContact OG-OE1 3.09Å
485	S	36.9	Very low	74.5	Confident	103 Å²	103	69.9 Å²	69.9	72%	0.72	37%	0.372	S	S	*	.			trans	-74.2	133.1	169.4	41.3	0	0	0	0	109.8	G483 Q487	G483-S485 VanDerWaalsContact C-N 3.25Å; G483-S485 PolarHBondContact O-N 3.49Å; G483-S485 VanDerWaalsContact O-N 3.09Å; S485-Q487 PolarHBondContact O-N 3.29Å
486	D	36.6	Very low	72.5	Confident	124 Å²	124	75.2 Å²	75.2	66%	0.663	40%	0.401	S	S	*	.			trans	-51	118.9	173.9	-65.4	-37.3	0	0	0	109.8	K479	K479-D486 VanDerWaalsContact NZ-CG 3.26Å; K479-D486 IonicContact NZ-OD1 2.71Å; K479-D486 PolarHBondContact NZ-OD1 2.61Å; K479-D486 IonicContact NZ-OD2 3.71Å; K479-D486 PolarHBondContact NZ-OD2 2.79Å
487	Q	30.3	Very low	70.4	Confident	268 Å²	268	75.8 Å²	75.8	100%	1.252	40%	0.404	S	S	*	.			trans	-76.9	0	163.8	-84.2	-171.7	-10.3	0	0	110.3	S485	S485-Q487 PolarHBondContact O-N 3.29Å

Retrieved 487 of 487 residues in 208 ms (Link to these results)

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