A0A077Z8L2_TRITR Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z8L2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.1	Very high	85.7	Confident	26 Å²	26	23.4 Å²	23.4	13%	0.128	17%	0.17	C	C	.	.				0	130.9	0	176.6	-172.1	-65.1	0	0	109.1	I3 S30 L68 W70 L72 L73 I74	M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 HydrophobicContact SD-CG1 4.5Å; M1-S30 CarbonylContact C-O 3.49Å; M1-S30 WeakPolarHBondContact CA-O 3.45Å; M1-L68 HydrophobicContact CE-CB 3.69Å; M1-L68 HydrophobicContact CE-CD1 3.46Å; M1-L68 VanDerWaalsContact CE-CD1 3.46Å; M1-L68 HydrophobicContact CE-CG 4.2Å; M1-L68 HydrophobicContact SD-CD1 4.43Å; M1-W70 HydrophobicContact CB-CB 4.24Å; M1-W70 HydrophobicContact CE-CE3 3.85Å; M1-W70 HydrophobicContact CE-CZ3 4.45Å; M1-W70 HydrophobicContact SD-CE3 4.34Å; M1-L72 PolarHBondContact N-O 3.33Å; M1-L73 HydrophobicContact CB-CD2 3.94Å; M1-L73 HydrophobicContact CG-CD2 4.32Å; M1-L73 CarbonylContact O-C 3.59Å; M1-L73 WeakPolarHBondContact O-CA 3.11Å; M1-L73 HydrophobicContact SD-CD2 4.12Å; M1-I74 PolarHBondContact O-N 2.71Å
2	F	95.2	Very high	86.1	Confident	3 Å²	3	21.8 Å²	21.8	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.7	175.6	-75.5	-101.9	0	0	0	110.4	M15 L18 A19 L22 V29 S30 L31 L32 I74 Y98	F2-M15 HydrophobicContact CB-SD 4.36Å; F2-M15 HydrophobicContact CD1-CB 3.96Å; F2-M15 HydrophobicContact CD1-CG 4.39Å; F2-M15 HydrophobicContact CD1-SD 3.86Å; F2-M15 HydrophobicContact CE1-CB 4.36Å; F2-L18 HydrophobicContact CE1-CB 4.45Å; F2-L18 HydrophobicContact CE1-CD2 4.24Å; F2-L18 HydrophobicContact CE1-CG 4.33Å; F2-L18 HydrophobicContact CZ-CB 4.45Å; F2-L18 HydrophobicContact CZ-CD2 4.48Å; F2-L18 HydrophobicContact CZ-CG 4.18Å; F2-A19 HydrophobicContact CD2-CB 4.08Å; F2-A19 HydrophobicContact CE1-CB 4.42Å; F2-A19 HydrophobicContact CE2-CB 3.65Å; F2-A19 HydrophobicContact CZ-CB 3.83Å; F2-L22 HydrophobicContact CE2-CD1 3.88Å; F2-L22 HydrophobicContact CZ-CD1 3.71Å; F2-V29 HydrophobicContact CD2-CG1 3.76Å; F2-V29 HydrophobicContact CE2-CG1 3.68Å; F2-S30 PolarHBondContact N-O 2.96Å; F2-L31 HydrophobicContact CB-CD1 3.61Å; F2-L31 HydrophobicContact CB-CG 3.63Å; F2-L31 HydrophobicContact CD2-CD1 3.76Å; F2-L31 HydrophobicContact CG-CD1 3.81Å; F2-L31 HydrophobicContact CG-CG 4.34Å; F2-L32 PolarHBondContact O-N 2.78Å; F2-I74 CarbonylContact C-O 3.45Å; F2-I74 VanDerWaalsContact CA-O 3.3Å; F2-I74 WeakPolarHBondContact CA-O 3.43Å; F2-I74 HydrophobicContact CD1-CB 3.78Å; F2-I74 HydrophobicContact CD1-CD1 4.18Å; F2-I74 HydrophobicContact CD1-CG2 3.76Å; F2-I74 HydrophobicContact CD2-CD1 4.35Å; F2-I74 HydrophobicContact CE1-CB 3.98Å; F2-I74 HydrophobicContact CE1-CD1 3.61Å; F2-I74 HydrophobicContact CE1-CG1 4.39Å; F2-I74 HydrophobicContact CE1-CG2 3.76Å; F2-I74 HydrophobicContact CE2-CD1 3.77Å; F2-I74 HydrophobicContact CG-CB 4.2Å; F2-I74 HydrophobicContact CZ-CD1 3.38Å; F2-Y98 HydrophobicContact CE1-CE1 4.42Å
3	I	93.8	Very high	86.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	85.6	179.3	-55.2	-175	0	0	0	108	M1 L32 L73 I74 V75 D76 Q80 L86	M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 HydrophobicContact SD-CG1 4.5Å; I3-L32 HydrophobicContact CG2-CD2 3.88Å; I3-L73 HydrophobicContact CD1-CD1 4.41Å; I3-L73 HydrophobicContact CD1-CD2 4.01Å; I3-I74 PolarHBondContact N-O 3.13Å; I3-V75 HydrophobicContact CB-CG1 4.42Å; I3-V75 HydrophobicContact CB-CG2 4.3Å; I3-V75 HydrophobicContact CD1-CG2 4.24Å; I3-V75 HydrophobicContact CG1-CG2 4.5Å; I3-D76 PolarHBondContact O-N 3.23Å; I3-Q80 HydrophobicContact CG2-CG 3.62Å; I3-L86 HydrophobicContact CD1-CD1 3.91Å
4	P	92.1	Very high	86.2	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63	164.9	174.4	-18.1	32.7	0	0	0	112.2	H11 V12 M15 L31 L32 Q80	P4-H11 HydrophobicContact CB-CB 4.27Å; P4-V12 HydrophobicContact CB-CG2 3.94Å; P4-V12 HydrophobicContact CG-CB 4.38Å; P4-V12 HydrophobicContact CG-CG2 4.02Å; P4-M15 HydrophobicContact CB-SD 4.12Å; P4-M15 HydrophobicContact CG-SD 3.89Å; P4-L31 HydrophobicContact CG-CD2 4.34Å; P4-L32 WeakPolarHBondContact CD-O 3.4Å; P4-L32 WeakPolarHBondContact CG-O 3.46Å; P4-Q80 VanDerWaalsContact O-CD 3.22Å; P4-Q80 PolarHBondContact O-OE1 3.05Å; P4-Q80 VanDerWaalsContact O-OE1 3.1Å
5	A	88.2	Confident	86.5	Confident	3 Å²	3	25.9 Å²	25.9	3%	0.025	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-56.9	148.1	174.4	0	0	0	0	0	113.2	H11 D76 L78 L79	A5-H11 HydrophobicContact CB-CB 3.92Å; A5-H11 WeakPolarHBondContact CB-ND1 3.38Å; A5-D76 HydrophobicContact CB-CB 4.23Å; A5-D76 VanDerWaalsContact N-CB 3.27Å; A5-D76 PolarHBondContact N-OD2 3.04Å; A5-L78 WeakPolarHBondContact CB-O 3.29Å; A5-L79 HydrophobicContact CB-CB 4.44Å
6	T	81.6	Confident	86.8	Confident	44 Å²	44	25.4 Å²	25.4	27%	0.27	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	143.7	172.6	57.3	0	0	0	0	112	A8 Y34 L79	T6-A8 VanDerWaalsContact C-N 3.35Å; T6-A8 PolarHBondContact O-N 3Å; T6-Y34 HydrophobicContact CG2-CD1 4.25Å; T6-Y34 HydrophobicContact CG2-CD2 3.73Å; T6-Y34 HydrophobicContact CG2-CE1 4.22Å; T6-Y34 HydrophobicContact CG2-CE2 3.73Å; T6-Y34 HydrophobicContact CG2-CG 3.99Å; T6-L79 PolarHBondContact N-O 2.84Å; T6-L79 PolarHBondContact OG1-O 3.49Å
7	G	73.3	Confident	87	Confident	64 Å²	64	26.4 Å²	26.4	66%	0.66	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	2.9	164.4	0	0	0	0	0	117.5
8	A	75.7	Confident	87.3	Confident	29 Å²	29	24.9 Å²	24.9	24%	0.24	16%	0.159	C	C	.	.			trans	-139	112.7	-178.5	0	0	0	0	0	114	T6 S10 H11	T6-A8 VanDerWaalsContact C-N 3.35Å; T6-A8 PolarHBondContact O-N 3Å; A8-S10 PolarHBondContact O-N 3.14Å; A8-S10 VanDerWaalsContact O-N 3.15Å; A8-H11 VanDerWaalsContact CB-CD2 3.44Å; A8-H11 WeakPolarHBondContact CB-CD2 3.29Å; A8-H11 PolarHBondContact O-N 3.31Å; A8-H11 VanDerWaalsContact O-N 3.11Å
9	T	80.7	Confident	87.7	Confident	37 Å²	37	23.6 Å²	23.6	23%	0.227	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-22.3	177.3	61.6	0	0	0	0	113.2	H11 K13 Q40 V42	T9-H11 VanDerWaalsContact C-N 3.32Å; T9-H11 PolarHBondContact O-N 3.45Å; T9-K13 WeakPolarHBondContact O-CG 3.39Å; T9-K13 PolarHBondContact O-N 3.25Å; T9-K13 VanDerWaalsContact O-N 3.12Å; T9-Q40 HydrophobicContact CG2-CB 4.23Å; T9-Q40 WeakPolarHBondContact CG2-O 3.4Å; T9-V42 HydrophobicContact CG2-CG2 4.3Å
10	S	81.6	Confident	88	Confident	28 Å²	28	25.5 Å²	25.5	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-37.5	175.1	55.2	0	0	0	0	112.1	A8 K13 S14 K309	A8-S10 PolarHBondContact O-N 3.14Å; A8-S10 VanDerWaalsContact O-N 3.15Å; S10-K13 PolarHBondContact O-N 3.11Å; S10-S14 PolarHBondContact O-N 3.36Å; S10-S14 PolarHBondContact O-OG 3.49Å; S10-S14 VanDerWaalsContact O-OG 3.06Å; S10-K309 WeakPolarHBondContact O-CE 3.25Å; S10-K309 PolarHBondContact O-NZ 3.41Å
11	H	86.8	Confident	88.3	Confident	22 Å²	22	25.1 Å²	25.1	10%	0.102	16%	0.155	C	C	.	.	H	α-helix	trans	-69	-43.7	-180	-70.5	-113.3	0	0	0	111.3	P4 A5 A8 T9 K13 S14 M15 D76 T100	P4-H11 HydrophobicContact CB-CB 4.27Å; A5-H11 HydrophobicContact CB-CB 3.92Å; A5-H11 WeakPolarHBondContact CB-ND1 3.38Å; A8-H11 VanDerWaalsContact CB-CD2 3.44Å; A8-H11 WeakPolarHBondContact CB-CD2 3.29Å; A8-H11 PolarHBondContact O-N 3.31Å; A8-H11 VanDerWaalsContact O-N 3.11Å; T9-H11 VanDerWaalsContact C-N 3.32Å; T9-H11 PolarHBondContact O-N 3.45Å; H11-K13 VanDerWaalsContact C-N 3.33Å; H11-K13 PolarHBondContact O-N 3.43Å; H11-S14 WeakPolarHBondContact O-CB 3.46Å; H11-S14 PolarHBondContact O-N 3.46Å; H11-M15 PolarHBondContact O-N 3.33Å; H11-D76 IonicContact CG-OD2 2.72Å; H11-D76 IonicContact ND1-OD2 3.7Å; H11-D76 PolarHBondContact ND1-OD2 3.42Å; H11-T100 PolarHBondContact CE1-OG1 3.46Å; H11-T100 PolarHBondContact ND1-OG1 2.88Å
12	V	89.8	Confident	88.3	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-53.1	171.9	-178.1	0	0	0	0	109.9	P4 S14 M15 L16 L31 Q33 V42 F49	P4-V12 HydrophobicContact CB-CG2 3.94Å; P4-V12 HydrophobicContact CG-CB 4.38Å; P4-V12 HydrophobicContact CG-CG2 4.02Å; V12-S14 PolarHBondContact O-N 2.87Å; V12-M15 PolarHBondContact O-N 3.37Å; V12-M15 VanDerWaalsContact O-N 3.13Å; V12-L16 PolarHBondContact O-N 2.89Å; V12-L31 HydrophobicContact CG1-CD2 3.91Å; V12-Q33 HydrophobicContact CG2-CB 4.47Å; V12-Q33 HydrophobicContact CG2-CG 4.08Å; V12-V42 HydrophobicContact CG1-CB 4.2Å; V12-V42 HydrophobicContact CG1-CG1 4.38Å; V12-V42 HydrophobicContact CG1-CG2 4.47Å; V12-F49 HydrophobicContact CG1-CE1 3.82Å; V12-F49 HydrophobicContact CG1-CZ 4.41Å
13	K	86.8	Confident	88.4	Confident	109 Å²	109	26.7 Å²	26.7	47%	0.474	16%	0.163	S	C	.	.	H	α-helix	trans	-62.6	-26.4	179.4	-71.7	176.4	-178.4	-179.3	0	113.7	T9 S10 H11 L16 K309	T9-K13 WeakPolarHBondContact O-CG 3.39Å; T9-K13 PolarHBondContact O-N 3.25Å; T9-K13 VanDerWaalsContact O-N 3.12Å; S10-K13 PolarHBondContact O-N 3.11Å; H11-K13 VanDerWaalsContact C-N 3.33Å; H11-K13 PolarHBondContact O-N 3.43Å; K13-L16 HydrophobicContact CG-CD1 4.49Å; K13-K309 VanDerWaalsContact CB-NZ 3.27Å
14	S	87.1	Confident	88.4	Confident	18 Å²	18	33.6 Å²	33.6	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-74.4	-27.9	177.9	-66.3	0	0	0	0	112.6	S10 H11 V12 Y98 K309	S10-S14 PolarHBondContact O-N 3.36Å; S10-S14 PolarHBondContact O-OG 3.49Å; S10-S14 VanDerWaalsContact O-OG 3.06Å; H11-S14 WeakPolarHBondContact O-CB 3.46Å; H11-S14 PolarHBondContact O-N 3.46Å; V12-S14 PolarHBondContact O-N 2.87Å; S14-Y98 PolarHBondContact O-OH 2.89Å; S14-K309 WeakPolarHBondContact OG-CE 3.26Å; S14-K309 PolarHBondContact OG-NZ 3.05Å
15	M	91.1	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-86.2	-21.4	179.6	-63.1	-167.1	166.5	0	0	113.5	F2 P4 H11 V12 L18 A19 D76 Y98 T100	F2-M15 HydrophobicContact CB-SD 4.36Å; F2-M15 HydrophobicContact CD1-CB 3.96Å; F2-M15 HydrophobicContact CD1-CG 4.39Å; F2-M15 HydrophobicContact CD1-SD 3.86Å; F2-M15 HydrophobicContact CE1-CB 4.36Å; P4-M15 HydrophobicContact CB-SD 4.12Å; P4-M15 HydrophobicContact CG-SD 3.89Å; H11-M15 PolarHBondContact O-N 3.33Å; V12-M15 PolarHBondContact O-N 3.37Å; V12-M15 VanDerWaalsContact O-N 3.13Å; M15-L18 PolarHBondContact O-N 2.6Å; M15-A19 PolarHBondContact O-N 3.39Å; M15-A19 VanDerWaalsContact O-N 3.09Å; M15-D76 HydrophobicContact CE-CB 3.59Å; M15-Y98 HydrophobicContact CB-CE1 4.18Å; M15-Y98 HydrophobicContact CE-CD1 3.67Å; M15-Y98 HydrophobicContact CE-CE1 4.15Å; M15-Y98 HydrophobicContact CE-CG 4.05Å; M15-Y98 HydrophobicContact CG-CD1 4.12Å; M15-Y98 HydrophobicContact CG-CE1 3.64Å; M15-Y98 HydrophobicContact SD-CD1 4.2Å; M15-Y98 HydrophobicContact SD-CE1 4.29Å; M15-T100 HydrophobicContact CE-CG2 3.54Å; M15-T100 HydrophobicContact CG-CG2 3.68Å; M15-T100 HydrophobicContact SD-CG2 4.42Å
16	L	91.4	Very high	88.9	Confident	18 Å²	18	40.2 Å²	40.2	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-51.8	-46.3	-177.1	-76.6	175.7	0	0	0	114.4	V12 K13 L18 A19 E20 L31 V42 H44 I47 F49	V12-L16 PolarHBondContact O-N 2.89Å; K13-L16 HydrophobicContact CG-CD1 4.49Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3Å; L16-A19 WeakPolarHBondContact O-CB 3.38Å; L16-A19 PolarHBondContact O-N 2.66Å; L16-A19 VanDerWaalsContact O-N 3.1Å; L16-E20 WeakPolarHBondContact O-CG 3.29Å; L16-E20 PolarHBondContact O-N 2.97Å; L16-L31 HydrophobicContact CD2-CD2 4.04Å; L16-V42 HydrophobicContact CD1-CG1 4.39Å; L16-H44 HydrophobicContact CD2-CB 4.48Å; L16-I47 HydrophobicContact CD2-CD1 3.76Å; L16-F49 HydrophobicContact CD2-CZ 4.23Å
17	P	90.1	Very high	89.6	Confident	43 Å²	43	41 Å²	41	28%	0.279	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-38.9	-177.8	-25.3	35.3	0	0	0	113.4	N21 Y207 T388	P17-N21 PolarHBondContact O-N 3.35Å; P17-Y207 HydrophobicContact CB-CD1 3.59Å; P17-Y207 HydrophobicContact CB-CE1 4Å; P17-Y207 HydrophobicContact CG-CD1 3.98Å; P17-Y207 HydrophobicContact CG-CE1 4.47Å; P17-T388 HydrophobicContact CB-CG2 4.03Å; P17-T388 WeakPolarHBondContact O-CG2 3.4Å
18	L	93	Very high	90.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-39.7	176.8	-176.6	59	0	0	0	111.1	F2 M15 L16 N21 L22 Y98 L185 I205 Y207 I395	F2-L18 HydrophobicContact CE1-CB 4.45Å; F2-L18 HydrophobicContact CE1-CD2 4.24Å; F2-L18 HydrophobicContact CE1-CG 4.33Å; F2-L18 HydrophobicContact CZ-CB 4.45Å; F2-L18 HydrophobicContact CZ-CD2 4.48Å; F2-L18 HydrophobicContact CZ-CG 4.18Å; M15-L18 PolarHBondContact O-N 2.6Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3Å; L18-N21 PolarHBondContact O-N 3.36Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.39Å; L18-Y98 HydrophobicContact CD2-CD1 4.47Å; L18-Y98 HydrophobicContact CD2-CE1 3.93Å; L18-L185 HydrophobicContact CD2-CD1 4.32Å; L18-I205 HydrophobicContact CD1-CD1 4.5Å; L18-I205 HydrophobicContact CD2-CD1 4.15Å; L18-Y207 HydrophobicContact CB-CE1 4.37Å; L18-I395 HydrophobicContact CD1-CD1 4.13Å; L18-I395 HydrophobicContact CD2-CD1 3.98Å; L18-I395 HydrophobicContact CG-CD1 4.24Å
19	A	94.7	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-44.5	175.1	0	0	0	0	0	112.1	F2 M15 L16 N21 L22 L23 V29 L31 I47	F2-A19 HydrophobicContact CD2-CB 4.08Å; F2-A19 HydrophobicContact CE1-CB 4.42Å; F2-A19 HydrophobicContact CE2-CB 3.65Å; F2-A19 HydrophobicContact CZ-CB 3.83Å; M15-A19 PolarHBondContact O-N 3.39Å; M15-A19 VanDerWaalsContact O-N 3.09Å; L16-A19 WeakPolarHBondContact O-CB 3.38Å; L16-A19 PolarHBondContact O-N 2.66Å; L16-A19 VanDerWaalsContact O-N 3.1Å; A19-N21 PolarHBondContact O-N 2.95Å; A19-L22 PolarHBondContact O-N 3.48Å; A19-L23 PolarHBondContact O-N 2.97Å; A19-V29 HydrophobicContact CB-CG1 3.82Å; A19-L31 HydrophobicContact CB-CD1 3.68Å; A19-I47 HydrophobicContact CB-CD1 3.83Å
20	E	93.5	Very high	92.3	Very high	60 Å²	60	44.5 Å²	44.5	28%	0.28	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-40.7	176.1	-74	171.4	-147.7	0	0	112.5	L16 L23 K24 H44 I47	L16-E20 WeakPolarHBondContact O-CG 3.29Å; L16-E20 PolarHBondContact O-N 2.97Å; E20-L23 PolarHBondContact O-N 3.02Å; E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 3.18Å; E20-H44 IonicContact OE1-NE2 3.71Å; E20-H44 PolarHBondContact OE1-NE2 2.88Å; E20-I47 HydrophobicContact CG-CD1 4.13Å
21	N	93	Very high	93	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.102	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-39.3	177.2	-89	-10.6	0	0	0	112.1	P17 L18 A19 L23 K24 D25 T388 K389	P17-N21 PolarHBondContact O-N 3.35Å; L18-N21 PolarHBondContact O-N 3.36Å; A19-N21 PolarHBondContact O-N 2.95Å; N21-L23 VanDerWaalsContact C-N 3.3Å; N21-L23 PolarHBondContact O-N 3.43Å; N21-K24 PolarHBondContact O-N 3.32Å; N21-D25 PolarHBondContact O-N 2.87Å; N21-T388 HydrophobicContact CB-CG2 4.34Å; N21-T388 VanDerWaalsContact ND2-C 3.29Å; N21-T388 VanDerWaalsContact ND2-CB 3.3Å; N21-T388 WeakPolarHBondContact ND2-CB 3.29Å; N21-T388 WeakPolarHBondContact ND2-CG2 3.32Å; N21-T388 PolarHBondContact ND2-O 2.88Å; N21-K389 PolarHBondContact ND2-N 3.16Å
22	L	95.6	Very high	93.2	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-36.7	173.6	-70.2	172.3	0	0	0	112.2	F2 L18 A19 D25 G26 H27 V29 I74 I395	F2-L22 HydrophobicContact CE2-CD1 3.88Å; F2-L22 HydrophobicContact CZ-CD1 3.71Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.39Å; A19-L22 PolarHBondContact O-N 3.48Å; L22-D25 PolarHBondContact O-N 3.1Å; L22-G26 PolarHBondContact O-N 3.29Å; L22-H27 WeakPolarHBondContact O-CB 3.26Å; L22-H27 PolarHBondContact O-CD2 3.25Å; L22-H27 VanDerWaalsContact O-CD2 3.28Å; L22-H27 PolarHBondContact O-N 3.39Å; L22-H27 VanDerWaalsContact O-N 3.1Å; L22-V29 HydrophobicContact CB-CG2 3.9Å; L22-I74 HydrophobicContact CD1-CD1 3.93Å; L22-I395 HydrophobicContact CD1-CD1 3.93Å; L22-I395 HydrophobicContact CD1-CG2 4.31Å; L22-I395 HydrophobicContact CD2-CB 4Å; L22-I395 HydrophobicContact CD2-CD1 4.31Å; L22-I395 HydrophobicContact CD2-CG2 3.68Å
23	L	95.6	Very high	93.3	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.277	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-43.7	173.8	-173.9	69.6	0	0	0	111.3	A19 E20 N21 D25 G26 H27 V29 S46 I47	A19-L23 PolarHBondContact O-N 2.97Å; E20-L23 PolarHBondContact O-N 3.02Å; N21-L23 VanDerWaalsContact C-N 3.3Å; N21-L23 PolarHBondContact O-N 3.43Å; L23-D25 PolarHBondContact O-N 2.87Å; L23-G26 PolarHBondContact O-N 2.84Å; L23-H27 WeakPolarHBondContact CD1-O 3.41Å; L23-V29 HydrophobicContact CB-CG2 4.14Å; L23-S46 VanDerWaalsContact CD2-CB 3.45Å; L23-S46 VanDerWaalsContact CD2-O 3.29Å; L23-S46 WeakPolarHBondContact CD2-O 3.38Å; L23-I47 HydrophobicContact CD2-CG1 4.4Å
24	K	95	Very high	93.3	Very high	146 Å²	146	37.9 Å²	37.9	64%	0.635	21%	0.212	S	C	*	.	H	α-helix	trans	-63	-30.6	174.3	-70.6	166.8	-168.5	159.6	0	112.7	E20 N21 G26	E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 3.18Å; N21-K24 PolarHBondContact O-N 3.32Å; K24-G26 PolarHBondContact O-N 3.3Å
25	D	95.6	Very high	93.4	Very high	77 Å²	77	38.7 Å²	38.7	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.3	174.5	-66.3	-21.6	0	0	0	112.9	N21 L22 L23 S392 N396	N21-D25 PolarHBondContact O-N 2.87Å; L22-D25 PolarHBondContact O-N 3.1Å; L23-D25 PolarHBondContact O-N 2.87Å; D25-S392 WeakPolarHBondContact OD2-CB 3.29Å; D25-S392 PolarHBondContact OD2-OG 3.21Å; D25-N396 PolarHBondContact OD2-ND2 3.2Å
26	G	96	Very high	93.2	Very high	66 Å²	66	43.2 Å²	43.2	68%	0.68	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.7	9.7	173.4	0	0	0	0	0	115.3	L22 L23 K24	L22-G26 PolarHBondContact O-N 3.29Å; L23-G26 PolarHBondContact O-N 2.84Å; K24-G26 PolarHBondContact O-N 3.3Å
27	H	95.9	Very high	92.9	Very high	61 Å²	61	46.8 Å²	46.8	28%	0.282	25%	0.252	S	S	.	.			trans	-84.6	147.5	178.2	-62.2	-70.3	0	0	0	112.3	L22 L23 V29 N396	L22-H27 WeakPolarHBondContact O-CB 3.26Å; L22-H27 PolarHBondContact O-CD2 3.25Å; L22-H27 VanDerWaalsContact O-CD2 3.28Å; L22-H27 PolarHBondContact O-N 3.39Å; L22-H27 VanDerWaalsContact O-N 3.1Å; L23-H27 WeakPolarHBondContact CD1-O 3.41Å; H27-V29 HydrophobicContact CB-CG2 4.21Å; H27-V29 PolarHBondContact O-N 2.73Å; H27-N396 PolarHBondContact NE2-OD1 2.77Å
28	N	95.6	Very high	92.7	Very high	166 Å²	166	50.4 Å²	50.4	89%	0.888	27%	0.266	S	S	*	.			trans	-76	116.2	164.4	-74.6	-21.6	0	0	0	109.6
29	V	96.1	Very high	92.3	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.091	30%	0.302	C	S	.	.			trans	-114.6	126.6	-175.9	-175.5	0	0	0	0	110.8	F2 A19 L22 L23 H27 L31	F2-V29 HydrophobicContact CD2-CG1 3.76Å; F2-V29 HydrophobicContact CE2-CG1 3.68Å; A19-V29 HydrophobicContact CB-CG1 3.82Å; L22-V29 HydrophobicContact CB-CG2 3.9Å; L23-V29 HydrophobicContact CB-CG2 4.14Å; H27-V29 HydrophobicContact CB-CG2 4.21Å; H27-V29 PolarHBondContact O-N 2.73Å; V29-L31 HydrophobicContact CG1-CD1 4.27Å
30	S	95	Very high	91.6	Very high	22 Å²	22	61.8 Å²	61.8	15%	0.154	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.6	171.2	58.5	0	0	0	0	111.1	M1 F2 Q48	M1-S30 CarbonylContact C-O 3.49Å; M1-S30 WeakPolarHBondContact CA-O 3.45Å; F2-S30 PolarHBondContact N-O 2.96Å; S30-Q48 CarbonylContact C-O 3.56Å; S30-Q48 VanDerWaalsContact CA-O 3.24Å; S30-Q48 WeakPolarHBondContact CA-O 3.34Å
31	L	94.4	Very high	91.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.3	174.6	-104.3	80	0	0	0	110.4	F2 P4 V12 L16 A19 V29 I47 Q48 F49 T50	F2-L31 HydrophobicContact CB-CD1 3.61Å; F2-L31 HydrophobicContact CB-CG 3.63Å; F2-L31 HydrophobicContact CD2-CD1 3.76Å; F2-L31 HydrophobicContact CG-CD1 3.81Å; F2-L31 HydrophobicContact CG-CG 4.34Å; P4-L31 HydrophobicContact CG-CD2 4.34Å; V12-L31 HydrophobicContact CG1-CD2 3.91Å; L16-L31 HydrophobicContact CD2-CD2 4.04Å; A19-L31 HydrophobicContact CB-CD1 3.68Å; V29-L31 HydrophobicContact CG1-CD1 4.27Å; L31-I47 HydrophobicContact CB-CG2 4.2Å; L31-I47 HydrophobicContact CD1-CG2 3.83Å; L31-Q48 PolarHBondContact N-O 3.28Å; L31-F49 HydrophobicContact CB-CD1 3.94Å; L31-F49 HydrophobicContact CB-CE1 3.8Å; L31-F49 HydrophobicContact CB-CZ 4.31Å; L31-F49 HydrophobicContact CD2-CE1 4.07Å; L31-F49 HydrophobicContact CD2-CZ 4.31Å; L31-F49 CarbonylContact O-C 3.53Å; L31-F49 VanDerWaalsContact O-CA 3.29Å; L31-F49 WeakPolarHBondContact O-CA 3.33Å; L31-T50 PolarHBondContact O-N 3.08Å
32	L	92.5	Very high	91.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	141.5	164.8	-167.2	71.5	0	0	0	109.6	F2 I3 P4 Y34 T50 V52 L65	F2-L32 PolarHBondContact O-N 2.78Å; I3-L32 HydrophobicContact CG2-CD2 3.88Å; P4-L32 WeakPolarHBondContact CD-O 3.4Å; P4-L32 WeakPolarHBondContact CG-O 3.46Å; L32-Y34 HydrophobicContact CD2-CD2 4.45Å; L32-Y34 HydrophobicContact CD2-CE2 3.53Å; L32-Y34 WeakPolarHBondContact CD2-OH 3.4Å; L32-Y34 HydrophobicContact CG-CE2 4.26Å; L32-T50 CarbonylContact C-O 3.55Å; L32-T50 WeakPolarHBondContact CA-O 3.44Å; L32-T50 HydrophobicContact CD1-CG2 3.9Å; L32-V52 HydrophobicContact CD1-CG2 3.59Å; L32-V52 HydrophobicContact CG-CG2 4.46Å; L32-L65 HydrophobicContact CD1-CD1 4.03Å; L32-L65 HydrophobicContact CD1-CD2 3.52Å; L32-L65 HydrophobicContact CD1-CG 4.42Å; L32-L65 HydrophobicContact CD2-CD1 3.74Å
33	Q	91.2	Very high	90.7	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.5	167.7	179	173.8	7.5	0	0	111.3	V12 Q40 V42 F49 T50 Y51 V52	V12-Q33 HydrophobicContact CG2-CB 4.47Å; V12-Q33 HydrophobicContact CG2-CG 4.08Å; Q33-Q40 PolarHBondContact NE2-O 2.68Å; Q33-V42 PolarHBondContact OE1-O 3.12Å; Q33-F49 HydrophobicContact CB-CD1 4.1Å; Q33-T50 PolarHBondContact N-O 3.47Å; Q33-Y51 HydrophobicContact CB-CD1 4.09Å; Q33-Y51 HydrophobicContact CB-CE1 4.33Å; Q33-Y51 HydrophobicContact CG-CD1 4.47Å; Q33-Y51 WeakPolarHBondContact O-CA 3.19Å; Q33-V52 PolarHBondContact O-N 3.02Å
34	Y	87.6	Confident	90.4	Very high	19 Å²	19	66.3 Å²	66.3	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.6	165.6	-61.8	-85.9	0	0	0	110.6	T6 L32 V52 T54 I61 Q80 C82	T6-Y34 HydrophobicContact CG2-CD1 4.25Å; T6-Y34 HydrophobicContact CG2-CD2 3.73Å; T6-Y34 HydrophobicContact CG2-CE1 4.22Å; T6-Y34 HydrophobicContact CG2-CE2 3.73Å; T6-Y34 HydrophobicContact CG2-CG 3.99Å; L32-Y34 HydrophobicContact CD2-CD2 4.45Å; L32-Y34 HydrophobicContact CD2-CE2 3.53Å; L32-Y34 WeakPolarHBondContact CD2-OH 3.4Å; L32-Y34 HydrophobicContact CG-CE2 4.26Å; Y34-V52 VanDerWaalsContact CA-O 3.29Å; Y34-V52 WeakPolarHBondContact CA-O 3.3Å; Y34-V52 HydrophobicContact CD1-CB 4.02Å; Y34-V52 HydrophobicContact CD1-CG1 3.89Å; Y34-V52 HydrophobicContact CE1-CB 4.12Å; Y34-V52 HydrophobicContact CE1-CG1 3.79Å; Y34-T54 HydrophobicContact CD1-CG2 4.45Å; Y34-I61 HydrophobicContact CE1-CD1 4.36Å; Y34-I61 HydrophobicContact CE1-CG2 4.36Å; Y34-Q80 PolarHBondContact OH-NE2 2.98Å; Y34-C82 WeakPolarHBondContact OH-CB 3.01Å
35	Y	88.3	Confident	90.1	Very high	34 Å²	34	67.2 Å²	67.2	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.7	176.5	72.4	-74.2	0	0	0	111.2	E38 K41 Y51 V52 L53 T54	Y35-E38 VanDerWaalsContact CE2-OE1 3.3Å; Y35-E38 WeakPolarHBondContact CE2-OE1 3.32Å; Y35-K41 HydrophobicContact CD2-CD 4.49Å; Y35-K41 VanDerWaalsContact CD2-CE 3.48Å; Y35-K41 HydrophobicContact CD2-CG 4.23Å; Y35-K41 HydrophobicContact CG-CG 4.13Å; Y35-K41 PolarHBondContact OH-NZ 3.25Å; Y35-Y51 HydrophobicContact CD1-CD1 4.46Å; Y35-V52 VanDerWaalsContact CD1-O 3.23Å; Y35-V52 WeakPolarHBondContact CD1-O 3.45Å; Y35-V52 PolarHBondContact N-O 3.3Å; Y35-L53 HydrophobicContact CD2-CD1 3.87Å; Y35-L53 HydrophobicContact CE1-CB 4.36Å; Y35-L53 HydrophobicContact CE1-CD1 4.15Å; Y35-L53 HydrophobicContact CE2-CD1 3.35Å; Y35-L53 HydrophobicContact CG-CD1 4.48Å; Y35-T54 PolarHBondContact O-N 2.87Å
36	N	86.6	Confident	89.9	Confident	95 Å²	95	67.3 Å²	67.3	51%	0.508	36%	0.361	S	S	.	.	S	Bend	trans	-104.8	-38.8	170.8	-62.8	17	0	0	0	110.4	T54	N36-T54 VanDerWaalsContact CG-OG1 3.23Å; N36-T54 VanDerWaalsContact OD1-CB 3.31Å; N36-T54 WeakPolarHBondContact OD1-CB 3.32Å; N36-T54 WeakPolarHBondContact OD1-CG2 3.49Å; N36-T54 PolarHBondContact OD1-OG1 3.42Å
37	E	85.2	Confident	89.7	Confident	93 Å²	93	64.6 Å²	64.6	44%	0.435	33%	0.331	S	S	.	.	S	Bend	trans	-128.9	144.2	-176.9	-61.2	178.3	164	0	0	109.7	K39 Q40	E37-K39 HydrophobicContact CB-CG 4.29Å; E37-K39 PolarHBondContact O-N 3.33Å; E37-K39 VanDerWaalsContact O-N 3.14Å; E37-K39 IonicContact OE1-NZ 2.78Å; E37-K39 WeakPolarHBondContact OE2-CE 3.15Å; E37-K39 IonicContact OE2-NZ 3.52Å; E37-K39 PolarHBondContact OE2-NZ 2.99Å; E37-Q40 HydrophobicContact CB-CG 4.31Å; E37-Q40 VanDerWaalsContact O-CB 3.29Å; E37-Q40 WeakPolarHBondContact O-CB 3.47Å; E37-Q40 PolarHBondContact O-N 3.23Å
38	E	86.3	Confident	89.6	Confident	120 Å²	120	68.3 Å²	68.3	56%	0.561	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.4	-37.2	-176.6	-71.7	-64	141.2	0	0	113.4	Y35 Q40 K41	Y35-E38 VanDerWaalsContact CE2-OE1 3.3Å; Y35-E38 WeakPolarHBondContact CE2-OE1 3.32Å; E38-Q40 PolarHBondContact O-N 3.01Å; E38-K41 WeakPolarHBondContact O-CB 3.39Å; E38-K41 PolarHBondContact O-N 3.12Å; E38-K41 WeakPolarHBondContact OE1-CE 3.32Å; E38-K41 IonicContact OE1-NZ 3.54Å; E38-K41 PolarHBondContact OE1-NZ 3.43Å; E38-K41 VanDerWaalsContact OE2-CD 3.32Å; E38-K41 WeakPolarHBondContact OE2-CD 3.4Å; E38-K41 WeakPolarHBondContact OE2-CE 3.46Å; E38-K41 IonicContact OE2-NZ 2.88Å; E38-K41 PolarHBondContact OE2-NZ 3.39Å
39	K	84.1	Confident	89.5	Confident	174 Å²	174	61.6 Å²	61.6	76%	0.757	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.7	-15.2	178.5	73.1	-174.9	-170.3	-137.3	0	114.4	E37	E37-K39 HydrophobicContact CB-CG 4.29Å; E37-K39 PolarHBondContact O-N 3.33Å; E37-K39 VanDerWaalsContact O-N 3.14Å; E37-K39 IonicContact OE1-NZ 2.78Å; E37-K39 WeakPolarHBondContact OE2-CE 3.15Å; E37-K39 IonicContact OE2-NZ 3.52Å; E37-K39 PolarHBondContact OE2-NZ 2.99Å
40	Q	81.2	Confident	89.3	Confident	65 Å²	65	62.8 Å²	62.8	30%	0.304	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-86	-15.6	178.9	-59.3	174.8	-15.4	0	0	112.3	T9 Q33 E37 E38 V42	T9-Q40 HydrophobicContact CG2-CB 4.23Å; T9-Q40 WeakPolarHBondContact CG2-O 3.4Å; Q33-Q40 PolarHBondContact NE2-O 2.68Å; E37-Q40 HydrophobicContact CB-CG 4.31Å; E37-Q40 VanDerWaalsContact O-CB 3.29Å; E37-Q40 WeakPolarHBondContact O-CB 3.47Å; E37-Q40 PolarHBondContact O-N 3.23Å; E38-Q40 PolarHBondContact O-N 3.01Å; Q40-V42 PolarHBondContact O-N 3.01Å
41	K	88.2	Confident	89.1	Confident	52 Å²	52	65.3 Å²	65.3	23%	0.226	33%	0.325	C	S	.	.			trans	-61.3	128.3	-179.6	-70.1	-175.4	178.3	166	0	110.1	Y35 E38 Y51	Y35-K41 HydrophobicContact CD2-CD 4.49Å; Y35-K41 VanDerWaalsContact CD2-CE 3.48Å; Y35-K41 HydrophobicContact CD2-CG 4.23Å; Y35-K41 HydrophobicContact CG-CG 4.13Å; Y35-K41 PolarHBondContact OH-NZ 3.25Å; E38-K41 WeakPolarHBondContact O-CB 3.39Å; E38-K41 PolarHBondContact O-N 3.12Å; E38-K41 WeakPolarHBondContact OE1-CE 3.32Å; E38-K41 IonicContact OE1-NZ 3.54Å; E38-K41 PolarHBondContact OE1-NZ 3.43Å; E38-K41 VanDerWaalsContact OE2-CD 3.32Å; E38-K41 WeakPolarHBondContact OE2-CD 3.4Å; E38-K41 WeakPolarHBondContact OE2-CE 3.46Å; E38-K41 IonicContact OE2-NZ 2.88Å; E38-K41 PolarHBondContact OE2-NZ 3.39Å; K41-Y51 HydrophobicContact CB-CD1 4.37Å; K41-Y51 HydrophobicContact CB-CE1 3.8Å; K41-Y51 HydrophobicContact CD-CD1 3.8Å; K41-Y51 HydrophobicContact CD-CD2 4.44Å; K41-Y51 HydrophobicContact CD-CE1 3.84Å; K41-Y51 HydrophobicContact CD-CE2 4.48Å; K41-Y51 HydrophobicContact CD-CG 4.11Å; K41-Y51 HydrophobicContact CG-CD1 3.79Å; K41-Y51 HydrophobicContact CG-CE1 3.73Å
42	V	86.8	Confident	88.8	Confident	18 Å²	18	65.8 Å²	65.8	11%	0.109	33%	0.328	C	S	.	.			trans	-96.4	127.1	171.1	178.1	0	0	0	0	106	T9 V12 L16 Q33 Q40 F49 Y51	T9-V42 HydrophobicContact CG2-CG2 4.3Å; V12-V42 HydrophobicContact CG1-CB 4.2Å; V12-V42 HydrophobicContact CG1-CG1 4.38Å; V12-V42 HydrophobicContact CG1-CG2 4.47Å; L16-V42 HydrophobicContact CD1-CG1 4.39Å; Q33-V42 PolarHBondContact OE1-O 3.12Å; Q40-V42 PolarHBondContact O-N 3.01Å; V42-F49 HydrophobicContact CG1-CZ 4.43Å; V42-Y51 PolarHBondContact O-OH 3.11Å
43	T	88.7	Confident	88.6	Confident	107 Å²	107	68.1 Å²	68.1	66%	0.656	34%	0.34	S	S	*	.			trans	-108.9	156.6	174	55.2	0	0	0	0	109.8
44	H	89.2	Confident	88.1	Confident	57 Å²	57	70.3 Å²	70.3	26%	0.264	35%	0.354	S	S	.	.			trans	-149.5	134.3	173.2	-168.2	-82.4	0	0	0	109	L16 E20 S46 I47 F49	L16-H44 HydrophobicContact CD2-CB 4.48Å; E20-H44 IonicContact OE1-NE2 3.71Å; E20-H44 PolarHBondContact OE1-NE2 2.88Å; H44-S46 PolarHBondContact ND1-N 3.48Å; H44-S46 PolarHBondContact O-N 3.39Å; H44-S46 VanDerWaalsContact O-N 3.17Å; H44-I47 HydrophobicContact CB-CB 4.18Å; H44-I47 PolarHBondContact O-N 3.12Å; H44-F49 HydrophobicContact CB-CE2 3.71Å; H44-F49 HydrophobicContact CB-CZ 4.33Å
45	D	87.3	Confident	87.9	Confident	166 Å²	166	73.8 Å²	73.8	89%	0.888	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.7	-167.8	-61.3	-21.3	0	0	0	113.5
46	S	90.9	Very high	87.4	Confident	79 Å²	79	74.7 Å²	74.7	55%	0.552	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.3	-173.5	-39.7	0	0	0	0	114.9	L23 H44	L23-S46 VanDerWaalsContact CD2-CB 3.45Å; L23-S46 VanDerWaalsContact CD2-O 3.29Å; L23-S46 WeakPolarHBondContact CD2-O 3.38Å; H44-S46 PolarHBondContact ND1-N 3.48Å; H44-S46 PolarHBondContact O-N 3.39Å; H44-S46 VanDerWaalsContact O-N 3.17Å
47	I	93.3	Very high	87	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	38%	0.379	C	S	.	.	S	Bend	trans	-112.3	128.1	-176.6	-66.7	171.6	0	0	0	108.7	L16 A19 E20 L23 L31 H44 F49	L16-I47 HydrophobicContact CD2-CD1 3.76Å; A19-I47 HydrophobicContact CB-CD1 3.83Å; E20-I47 HydrophobicContact CG-CD1 4.13Å; L23-I47 HydrophobicContact CD2-CG1 4.4Å; L31-I47 HydrophobicContact CB-CG2 4.2Å; L31-I47 HydrophobicContact CD1-CG2 3.83Å; H44-I47 HydrophobicContact CB-CB 4.18Å; H44-I47 PolarHBondContact O-N 3.12Å; I47-F49 HydrophobicContact CB-CE2 4.35Å; I47-F49 HydrophobicContact CG2-CD2 4.49Å; I47-F49 HydrophobicContact CG2-CE2 4.15Å; I47-F49 WeakPolarHBondContact O-CD2 3.41Å
48	Q	93.4	Very high	86.7	Confident	140 Å²	140	69.3 Å²	69.3	65%	0.654	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.6	176.3	-172.3	-179	-1.8	0	0	110.4	S30 L31	S30-Q48 CarbonylContact C-O 3.56Å; S30-Q48 VanDerWaalsContact CA-O 3.24Å; S30-Q48 WeakPolarHBondContact CA-O 3.34Å; L31-Q48 PolarHBondContact N-O 3.28Å
49	F	93.8	Very high	86.3	Confident	25 Å²	25	69 Å²	69	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.1	173.6	-77	-97	0	0	0	111.6	V12 L16 L31 Q33 V42 H44 I47 Y51	V12-F49 HydrophobicContact CG1-CE1 3.82Å; V12-F49 HydrophobicContact CG1-CZ 4.41Å; L16-F49 HydrophobicContact CD2-CZ 4.23Å; L31-F49 HydrophobicContact CB-CD1 3.94Å; L31-F49 HydrophobicContact CB-CE1 3.8Å; L31-F49 HydrophobicContact CB-CZ 4.31Å; L31-F49 HydrophobicContact CD2-CE1 4.07Å; L31-F49 HydrophobicContact CD2-CZ 4.31Å; L31-F49 CarbonylContact O-C 3.53Å; L31-F49 VanDerWaalsContact O-CA 3.29Å; L31-F49 WeakPolarHBondContact O-CA 3.33Å; Q33-F49 HydrophobicContact CB-CD1 4.1Å; V42-F49 HydrophobicContact CG1-CZ 4.43Å; H44-F49 HydrophobicContact CB-CE2 3.71Å; H44-F49 HydrophobicContact CB-CZ 4.33Å; I47-F49 HydrophobicContact CB-CE2 4.35Å; I47-F49 HydrophobicContact CG2-CD2 4.49Å; I47-F49 HydrophobicContact CG2-CE2 4.15Å; I47-F49 WeakPolarHBondContact O-CD2 3.41Å; F49-Y51 HydrophobicContact CB-CD2 4.29Å; F49-Y51 HydrophobicContact CB-CE1 3.93Å; F49-Y51 HydrophobicContact CB-CE2 3.66Å; F49-Y51 VanDerWaalsContact CB-CZ 3.46Å; F49-Y51 HydrophobicContact CD1-CE1 4.28Å; F49-Y51 HydrophobicContact CG-CE1 4.28Å
50	T	91.4	Very high	86.2	Confident	39 Å²	39	65.5 Å²	65.5	24%	0.239	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.4	162.1	-57.9	0	0	0	0	107.2	L31 L32 Q33 L65	L31-T50 PolarHBondContact O-N 3.08Å; L32-T50 CarbonylContact C-O 3.55Å; L32-T50 WeakPolarHBondContact CA-O 3.44Å; L32-T50 HydrophobicContact CD1-CG2 3.9Å; Q33-T50 PolarHBondContact N-O 3.47Å; T50-L65 HydrophobicContact CG2-CD2 4.18Å
51	Y	90.9	Very high	86.3	Confident	76 Å²	76	62.9 Å²	62.9	30%	0.298	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133	179.4	-60.9	-75	0	0	0	110	Q33 Y35 K41 V42 F49	Q33-Y51 HydrophobicContact CB-CD1 4.09Å; Q33-Y51 HydrophobicContact CB-CE1 4.33Å; Q33-Y51 HydrophobicContact CG-CD1 4.47Å; Q33-Y51 WeakPolarHBondContact O-CA 3.19Å; Y35-Y51 HydrophobicContact CD1-CD1 4.46Å; K41-Y51 HydrophobicContact CB-CD1 4.37Å; K41-Y51 HydrophobicContact CB-CE1 3.8Å; K41-Y51 HydrophobicContact CD-CD1 3.8Å; K41-Y51 HydrophobicContact CD-CD2 4.44Å; K41-Y51 HydrophobicContact CD-CE1 3.84Å; K41-Y51 HydrophobicContact CD-CE2 4.48Å; K41-Y51 HydrophobicContact CD-CG 4.11Å; K41-Y51 HydrophobicContact CG-CD1 3.79Å; K41-Y51 HydrophobicContact CG-CE1 3.73Å; V42-Y51 PolarHBondContact O-OH 3.11Å; F49-Y51 HydrophobicContact CB-CD2 4.29Å; F49-Y51 HydrophobicContact CB-CE1 3.93Å; F49-Y51 HydrophobicContact CB-CE2 3.66Å; F49-Y51 VanDerWaalsContact CB-CZ 3.46Å; F49-Y51 HydrophobicContact CD1-CE1 4.28Å; F49-Y51 HydrophobicContact CG-CE1 4.28Å
52	V	88.4	Confident	86.1	Confident	11 Å²	11	62.6 Å²	62.6	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.4	177.1	175.2	0	0	0	0	108.5	L32 Q33 Y34 Y35 I61	L32-V52 HydrophobicContact CD1-CG2 3.59Å; L32-V52 HydrophobicContact CG-CG2 4.46Å; Q33-V52 PolarHBondContact O-N 3.02Å; Y34-V52 VanDerWaalsContact CA-O 3.29Å; Y34-V52 WeakPolarHBondContact CA-O 3.3Å; Y34-V52 HydrophobicContact CD1-CB 4.02Å; Y34-V52 HydrophobicContact CD1-CG1 3.89Å; Y34-V52 HydrophobicContact CE1-CB 4.12Å; Y34-V52 HydrophobicContact CE1-CG1 3.79Å; Y35-V52 VanDerWaalsContact CD1-O 3.23Å; Y35-V52 WeakPolarHBondContact CD1-O 3.45Å; Y35-V52 PolarHBondContact N-O 3.3Å; V52-I61 HydrophobicContact CG1-CB 4.38Å; V52-I61 HydrophobicContact CG1-CD1 3.63Å; V52-I61 HydrophobicContact CG1-CG1 3.58Å; V52-I61 HydrophobicContact CG1-CG2 3.99Å
53	L	87.4	Confident	85.9	Confident	50 Å²	50	66.5 Å²	66.5	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.8	177.3	-160.5	71.7	0	0	0	107.4	Y35 S55 D56	Y35-L53 HydrophobicContact CD2-CD1 3.87Å; Y35-L53 HydrophobicContact CE1-CB 4.36Å; Y35-L53 HydrophobicContact CE1-CD1 4.15Å; Y35-L53 HydrophobicContact CE2-CD1 3.35Å; Y35-L53 HydrophobicContact CG-CD1 4.48Å; L53-S55 WeakPolarHBondContact CD2-OG 3.4Å; L53-S55 VanDerWaalsContact CG-OG 3.31Å; L53-S55 WeakPolarHBondContact CG-OG 3.3Å; L53-S55 PolarHBondContact O-N 2.68Å; L53-D56 WeakPolarHBondContact CB-OD2 3.23Å; L53-D56 PolarHBondContact N-OD2 3.46Å; L53-D56 VanDerWaalsContact O-CB 3.28Å; L53-D56 WeakPolarHBondContact O-CB 3.49Å; L53-D56 PolarHBondContact O-N 3.23Å
54	T	81.4	Confident	85.7	Confident	49 Å²	49	65.6 Å²	65.6	30%	0.301	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.2	-178.2	52	0	0	0	0	113.6	Y34 Y35 N36 D56	Y34-T54 HydrophobicContact CD1-CG2 4.45Å; Y35-T54 PolarHBondContact O-N 2.87Å; N36-T54 VanDerWaalsContact CG-OG1 3.23Å; N36-T54 VanDerWaalsContact OD1-CB 3.31Å; N36-T54 WeakPolarHBondContact OD1-CB 3.32Å; N36-T54 WeakPolarHBondContact OD1-CG2 3.49Å; N36-T54 PolarHBondContact OD1-OG1 3.42Å; T54-D56 VanDerWaalsContact C-N 3.27Å
55	S	82.4	Confident	85.5	Confident	92 Å²	92	63 Å²	63	64%	0.643	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.5	173.8	56.8	0	0	0	0	113.4	L53	L53-S55 WeakPolarHBondContact CD2-OG 3.4Å; L53-S55 VanDerWaalsContact CG-OG 3.31Å; L53-S55 WeakPolarHBondContact CG-OG 3.3Å; L53-S55 PolarHBondContact O-N 2.68Å
56	D	79.1	Confident	85.4	Confident	53 Å²	53	57.6 Å²	57.6	28%	0.283	31%	0.308	S	S	.	.	S	Bend	trans	-64.2	141.3	175.7	-61.8	-18.9	0	0	0	109.5	L53 T54 I61	L53-D56 WeakPolarHBondContact CB-OD2 3.23Å; L53-D56 PolarHBondContact N-OD2 3.46Å; L53-D56 VanDerWaalsContact O-CB 3.28Å; L53-D56 WeakPolarHBondContact O-CB 3.49Å; L53-D56 PolarHBondContact O-N 3.23Å; T54-D56 VanDerWaalsContact C-N 3.27Å; D56-I61 HydrophobicContact CB-CD1 4Å; D56-I61 HydrophobicContact CB-CG1 3.76Å; D56-I61 WeakPolarHBondContact O-CD1 3.38Å
57	G	78.1	Confident	85.2	Confident	30 Å²	30	58.9 Å²	58.9	31%	0.309	31%	0.313	S	S	.	.			trans	-63.3	139.5	-178.9	0	0	0	0	0	111.6	K59 E60 I61	G57-K59 PolarHBondContact O-N 2.93Å; G57-K59 VanDerWaalsContact O-N 3.12Å; G57-E60 WeakPolarHBondContact O-CB 3.14Å; G57-E60 PolarHBondContact O-N 2.97Å; G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 3.41Å
58	Q	79.1	Confident	84.9	Confident	45 Å²	45	61.1 Å²	61.1	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-37.8	-175.7	-71.3	75.9	12.5	0	0	112.6	Y62 W162 Q165	Q58-Y62 WeakPolarHBondContact O-CB 3.38Å; Q58-Y62 PolarHBondContact O-N 3.18Å; Q58-W162 HydrophobicContact CB-CD2 3.81Å; Q58-W162 HydrophobicContact CB-CE3 4.09Å; Q58-W162 HydrophobicContact CB-CG 4.26Å; Q58-W162 HydrophobicContact CB-CH2 4.08Å; Q58-W162 HydrophobicContact CB-CZ2 3.85Å; Q58-W162 HydrophobicContact CB-CZ3 4.24Å; Q58-W162 HydrophobicContact CG-CD2 3.89Å; Q58-W162 VanDerWaalsContact CG-CE2 3.42Å; Q58-W162 HydrophobicContact CG-CG 4.07Å; Q58-W162 HydrophobicContact CG-CH2 4.46Å; Q58-W162 HydrophobicContact CG-CZ2 3.73Å; Q58-Q165 VanDerWaalsContact OE1-CD 3.24Å; Q58-Q165 VanDerWaalsContact OE1-OE1 3.11Å
59	K	78.1	Confident	84.5	Confident	112 Å²	112	61.2 Å²	61.2	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.3	-174.9	178.1	178.4	-178.7	0	112.7	G57 Y62 Q63	G57-K59 PolarHBondContact O-N 2.93Å; G57-K59 VanDerWaalsContact O-N 3.12Å; K59-Y62 PolarHBondContact O-N 3.48Å; K59-Q63 WeakPolarHBondContact O-CB 3.47Å; K59-Q63 VanDerWaalsContact O-CG 3.28Å; K59-Q63 WeakPolarHBondContact O-CG 3.34Å; K59-Q63 PolarHBondContact O-N 3.5Å
60	E	81.9	Confident	84.3	Confident	102 Å²	102	60.8 Å²	60.8	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-43.7	179.2	-177	175.1	-172.8	0	0	110.8	G57 Y62 Q63 N64	G57-E60 WeakPolarHBondContact O-CB 3.14Å; G57-E60 PolarHBondContact O-N 2.97Å; E60-Y62 VanDerWaalsContact C-N 3.31Å; E60-Y62 PolarHBondContact O-N 2.9Å; E60-Q63 PolarHBondContact O-N 2.87Å; E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 PolarHBondContact O-N 3.45Å
61	I	83.3	Confident	84.4	Confident	9 Å²	9	65.6 Å²	65.6	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-55	-50.1	173.1	-63.5	173.5	0	0	0	110	Y34 V52 D56 G57 L65	Y34-I61 HydrophobicContact CE1-CD1 4.36Å; Y34-I61 HydrophobicContact CE1-CG2 4.36Å; V52-I61 HydrophobicContact CG1-CB 4.38Å; V52-I61 HydrophobicContact CG1-CD1 3.63Å; V52-I61 HydrophobicContact CG1-CG1 3.58Å; V52-I61 HydrophobicContact CG1-CG2 3.99Å; D56-I61 HydrophobicContact CB-CD1 4Å; D56-I61 HydrophobicContact CB-CG1 3.76Å; D56-I61 WeakPolarHBondContact O-CD1 3.38Å; G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 3.41Å; I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CB 3.46Å; I61-L65 WeakPolarHBondContact O-CG 3.38Å; I61-L65 PolarHBondContact O-N 3.28Å
62	Y	82.5	Confident	84.6	Confident	46 Å²	46	62.7 Å²	62.7	18%	0.18	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-47	178	177.6	-102.9	0	0	0	112.2	Q58 K59 E60 L65 S66 V85 L86	Q58-Y62 WeakPolarHBondContact O-CB 3.38Å; Q58-Y62 PolarHBondContact O-N 3.18Å; K59-Y62 PolarHBondContact O-N 3.48Å; E60-Y62 VanDerWaalsContact C-N 3.31Å; E60-Y62 PolarHBondContact O-N 2.9Å; Y62-L65 PolarHBondContact O-N 3.36Å; Y62-S66 WeakPolarHBondContact O-CB 3.46Å; Y62-S66 PolarHBondContact O-N 2.88Å; Y62-S66 PolarHBondContact O-OG 3.45Å; Y62-V85 HydrophobicContact CD2-CB 4.47Å; Y62-V85 HydrophobicContact CD2-CG1 3.68Å; Y62-V85 HydrophobicContact CE2-CG1 3.53Å; Y62-L86 HydrophobicContact CD2-CD2 3.67Å; Y62-L86 HydrophobicContact CD2-CG 4.03Å; Y62-L86 HydrophobicContact CE2-CD2 3.6Å; Y62-L86 HydrophobicContact CE2-CG 4.13Å
63	Q	83	Confident	84.9	Confident	100 Å²	100	62.2 Å²	62.2	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-51.4	-179.8	-77.3	175.8	-28	0	0	110.8	K59 E60 L65 S66 T67	K59-Q63 WeakPolarHBondContact O-CB 3.47Å; K59-Q63 VanDerWaalsContact O-CG 3.28Å; K59-Q63 WeakPolarHBondContact O-CG 3.34Å; K59-Q63 PolarHBondContact O-N 3.5Å; E60-Q63 PolarHBondContact O-N 2.87Å; Q63-L65 PolarHBondContact O-N 3.14Å; Q63-S66 PolarHBondContact O-N 3.27Å; Q63-S66 PolarHBondContact O-OG 2.83Å; Q63-T67 WeakPolarHBondContact O-CG2 3.17Å; Q63-T67 PolarHBondContact O-N 3.4Å
64	N	84.9	Confident	85.3	Confident	89 Å²	89	60 Å²	60	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-57.5	-49.3	178.5	-73.3	-14.8	0	0	0	111.2	E60 S66 T67	E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 PolarHBondContact O-N 3.45Å; N64-S66 PolarHBondContact O-N 2.97Å; N64-T67 PolarHBondContact O-N 2.91Å; N64-T67 PolarHBondContact O-OG1 3.13Å
65	L	85.8	Confident	85.9	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-35.2	-179.1	-64.7	178.2	0	0	0	112.4	L32 T50 I61 Y62 Q63 T67 L68 W70 L86	L32-L65 HydrophobicContact CD1-CD1 4.03Å; L32-L65 HydrophobicContact CD1-CD2 3.52Å; L32-L65 HydrophobicContact CD1-CG 4.42Å; L32-L65 HydrophobicContact CD2-CD1 3.74Å; T50-L65 HydrophobicContact CG2-CD2 4.18Å; I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CB 3.46Å; I61-L65 WeakPolarHBondContact O-CG 3.38Å; I61-L65 PolarHBondContact O-N 3.28Å; Y62-L65 PolarHBondContact O-N 3.36Å; Q63-L65 PolarHBondContact O-N 3.14Å; L65-T67 PolarHBondContact O-N 3.12Å; L65-L68 HydrophobicContact CD2-CD1 3.72Å; L65-L68 WeakPolarHBondContact O-CB 3.35Å; L65-L68 PolarHBondContact O-N 3.12Å; L65-W70 WeakPolarHBondContact O-CZ3 3.26Å; L65-L86 HydrophobicContact CB-CD1 3.84Å; L65-L86 HydrophobicContact CB-CD2 4.19Å; L65-L86 HydrophobicContact CD1-CD1 3.92Å
66	S	84.4	Confident	86.5	Confident	51 Å²	51	53.3 Å²	53.3	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-20.6	178.7	71.8	0	0	0	0	113.8	Y62 Q63 N64 L68	Y62-S66 WeakPolarHBondContact O-CB 3.46Å; Y62-S66 PolarHBondContact O-N 2.88Å; Y62-S66 PolarHBondContact O-OG 3.45Å; Q63-S66 PolarHBondContact O-N 3.27Å; Q63-S66 PolarHBondContact O-OG 2.83Å; N64-S66 PolarHBondContact O-N 2.97Å; S66-L68 VanDerWaalsContact C-N 3.31Å
67	T	86.5	Confident	87	Confident	107 Å²	107	51.4 Å²	51.4	66%	0.656	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.6	174.1	69.5	0	0	0	0	113.5	Q63 N64 L65	Q63-T67 WeakPolarHBondContact O-CG2 3.17Å; Q63-T67 PolarHBondContact O-N 3.4Å; N64-T67 PolarHBondContact O-N 2.91Å; N64-T67 PolarHBondContact O-OG1 3.13Å; L65-T67 PolarHBondContact O-N 3.12Å
68	L	86.3	Confident	87.3	Confident	55 Å²	55	51.8 Å²	51.8	29%	0.288	27%	0.267	S	S	.	.	S	Bend	trans	-71.2	147.6	180	-57.2	172.9	0	0	0	110.2	M1 L65 S66 W70	M1-L68 HydrophobicContact CE-CB 3.69Å; M1-L68 HydrophobicContact CE-CD1 3.46Å; M1-L68 VanDerWaalsContact CE-CD1 3.46Å; M1-L68 HydrophobicContact CE-CG 4.2Å; M1-L68 HydrophobicContact SD-CD1 4.43Å; L65-L68 HydrophobicContact CD2-CD1 3.72Å; L65-L68 WeakPolarHBondContact O-CB 3.35Å; L65-L68 PolarHBondContact O-N 3.12Å; S66-L68 VanDerWaalsContact C-N 3.31Å; L68-W70 HydrophobicContact CB-CE3 3.96Å; L68-W70 HydrophobicContact CB-CZ3 3.84Å; L68-W70 WeakPolarHBondContact O-CZ3 3.46Å
69	N	86.3	Confident	87.2	Confident	142 Å²	142	52.4 Å²	52.4	76%	0.759	27%	0.271	S	S	*	.			trans	-97	134.6	172.1	-81.6	-34.5	0	0	0	110.2	R93	N69-R93 PolarHBondContact OD1-NH2 3.36Å
70	W	90	Very high	87.5	Confident	15 Å²	15	47.1 Å²	47.1	6%	0.057	25%	0.248	C	C	.	.			trans	-150.2	146.7	173.7	59.2	82.1	0	0	0	110.3	M1 L65 L68 L73 L86 T90	M1-W70 HydrophobicContact CB-CB 4.24Å; M1-W70 HydrophobicContact CE-CE3 3.85Å; M1-W70 HydrophobicContact CE-CZ3 4.45Å; M1-W70 HydrophobicContact SD-CE3 4.34Å; L65-W70 WeakPolarHBondContact O-CZ3 3.26Å; L68-W70 HydrophobicContact CB-CE3 3.96Å; L68-W70 HydrophobicContact CB-CZ3 3.84Å; L68-W70 WeakPolarHBondContact O-CZ3 3.46Å; W70-L73 HydrophobicContact CD2-CD2 3.72Å; W70-L73 HydrophobicContact CD2-CG 4.28Å; W70-L73 HydrophobicContact CE3-CD2 4.47Å; W70-L73 HydrophobicContact CG-CD2 3.71Å; W70-L73 HydrophobicContact CG-CG 4.17Å; W70-L73 HydrophobicContact CZ2-CD1 3.93Å; W70-L73 HydrophobicContact CZ2-CD2 4.25Å; W70-L73 HydrophobicContact CZ2-CG 4.33Å; W70-L73 VanDerWaalsContact NE1-CG 3.29Å; W70-L86 HydrophobicContact CH2-CD2 4.09Å; W70-T90 HydrophobicContact CH2-CG2 4.48Å; W70-T90 HydrophobicContact CZ2-CG2 3.85Å
71	D	92.1	Very high	87.5	Confident	140 Å²	140	42.8 Å²	42.8	75%	0.749	23%	0.229	S	C	*	.	S	Bend	trans	-87.5	-27.4	172.9	-53.4	-62.2	0	0	0	112.1	P94	D71-P94 VanDerWaalsContact O-CD 3.23Å; D71-P94 WeakPolarHBondContact O-CD 3.36Å; D71-P94 WeakPolarHBondContact O-CG 3.42Å
72	L	94.8	Very high	87.6	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	23%	0.226	C	C	.	.			trans	-149.5	132.3	-178.2	-179.1	66.8	0	0	0	110.9	M1 I74 P94 I96 I395 L399	M1-L72 PolarHBondContact N-O 3.33Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CD2-CG1 4.32Å; L72-I74 HydrophobicContact CG-CG1 4.34Å; L72-P94 HydrophobicContact CD1-CB 3.82Å; L72-P94 HydrophobicContact CD1-CG 3.83Å; L72-I96 HydrophobicContact CD1-CD1 4.48Å; L72-I96 HydrophobicContact CD1-CG1 4.29Å; L72-I96 HydrophobicContact CD2-CD1 3.97Å; L72-I395 HydrophobicContact CD2-CG2 3.63Å; L72-L399 HydrophobicContact CB-CD2 4.39Å; L72-L399 HydrophobicContact CD2-CD2 4.46Å
73	L	95.5	Very high	87.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143	165.5	-66.7	179.8	0	0	0	111	M1 I3 W70 V75 L86 P94 W95 I96	M1-L73 HydrophobicContact CB-CD2 3.94Å; M1-L73 HydrophobicContact CG-CD2 4.32Å; M1-L73 CarbonylContact O-C 3.59Å; M1-L73 WeakPolarHBondContact O-CA 3.11Å; M1-L73 HydrophobicContact SD-CD2 4.12Å; I3-L73 HydrophobicContact CD1-CD1 4.41Å; I3-L73 HydrophobicContact CD1-CD2 4.01Å; W70-L73 HydrophobicContact CD2-CD2 3.72Å; W70-L73 HydrophobicContact CD2-CG 4.28Å; W70-L73 HydrophobicContact CE3-CD2 4.47Å; W70-L73 HydrophobicContact CG-CD2 3.71Å; W70-L73 HydrophobicContact CG-CG 4.17Å; W70-L73 HydrophobicContact CZ2-CD1 3.93Å; W70-L73 HydrophobicContact CZ2-CD2 4.25Å; W70-L73 HydrophobicContact CZ2-CG 4.33Å; W70-L73 VanDerWaalsContact NE1-CG 3.29Å; L73-V75 HydrophobicContact CB-CG2 3.87Å; L73-L86 HydrophobicContact CD1-CB 4.13Å; L73-P94 PolarHBondContact N-O 3.42Å; L73-P94 VanDerWaalsContact N-O 3.13Å; L73-W95 HydrophobicContact CB-CB 3.85Å; L73-W95 CarbonylContact O-C 3.5Å; L73-W95 WeakPolarHBondContact O-CA 3.33Å; L73-I96 PolarHBondContact O-N 3.25Å
74	I	96	Very high	88.1	Confident	4 Å²	4	36 Å²	36	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	107.7	169.5	-56.9	174.1	0	0	0	106.3	M1 F2 I3 L22 L72 I96 Y98 I395	M1-I74 PolarHBondContact O-N 2.71Å; F2-I74 CarbonylContact C-O 3.45Å; F2-I74 VanDerWaalsContact CA-O 3.3Å; F2-I74 WeakPolarHBondContact CA-O 3.43Å; F2-I74 HydrophobicContact CD1-CB 3.78Å; F2-I74 HydrophobicContact CD1-CD1 4.18Å; F2-I74 HydrophobicContact CD1-CG2 3.76Å; F2-I74 HydrophobicContact CD2-CD1 4.35Å; F2-I74 HydrophobicContact CE1-CB 3.98Å; F2-I74 HydrophobicContact CE1-CD1 3.61Å; F2-I74 HydrophobicContact CE1-CG1 4.39Å; F2-I74 HydrophobicContact CE1-CG2 3.76Å; F2-I74 HydrophobicContact CE2-CD1 3.77Å; F2-I74 HydrophobicContact CG-CB 4.2Å; F2-I74 HydrophobicContact CZ-CD1 3.38Å; I3-I74 PolarHBondContact N-O 3.13Å; L22-I74 HydrophobicContact CD1-CD1 3.93Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CD2-CG1 4.32Å; L72-I74 HydrophobicContact CG-CG1 4.34Å; I74-I96 HydrophobicContact CG1-CB 4.24Å; I74-I96 HydrophobicContact CG1-CD1 4.35Å; I74-I96 HydrophobicContact CG2-CB 4.33Å; I74-I96 HydrophobicContact CG2-CG2 4.2Å; I74-Y98 HydrophobicContact CG2-CD1 3.52Å; I74-Y98 HydrophobicContact CG2-CE1 4.45Å; I74-Y98 HydrophobicContact CG2-CG 4.25Å; I74-I395 HydrophobicContact CD1-CD1 3.89Å
75	V	95	Very high	88.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.2	-163.9	-177.9	0	0	0	0	109.9	I3 L73 N77 Q80 I96 Y98 F177	I3-V75 HydrophobicContact CB-CG1 4.42Å; I3-V75 HydrophobicContact CB-CG2 4.3Å; I3-V75 HydrophobicContact CD1-CG2 4.24Å; I3-V75 HydrophobicContact CG1-CG2 4.5Å; L73-V75 HydrophobicContact CB-CG2 3.87Å; V75-N77 PolarHBondContact O-N 3.49Å; V75-Q80 HydrophobicContact CG1-CG 4.1Å; V75-I96 PolarHBondContact N-O 3.39Å; V75-Y98 PolarHBondContact O-N 2.97Å; V75-F177 HydrophobicContact CB-CE2 3.69Å; V75-F177 HydrophobicContact CB-CZ 3.74Å; V75-F177 HydrophobicContact CG1-CE2 3.8Å; V75-F177 HydrophobicContact CG1-CZ 3.73Å; V75-F177 HydrophobicContact CG2-CE2 4.2Å
76	D	93.3	Very high	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127	170.9	-156.7	-45.1	0	0	0	109.7	I3 A5 H11 M15 L78 Q80 Y98 T100	I3-D76 PolarHBondContact O-N 3.23Å; A5-D76 HydrophobicContact CB-CB 4.23Å; A5-D76 VanDerWaalsContact N-CB 3.27Å; A5-D76 PolarHBondContact N-OD2 3.04Å; H11-D76 IonicContact CG-OD2 2.72Å; H11-D76 IonicContact ND1-OD2 3.7Å; H11-D76 PolarHBondContact ND1-OD2 3.42Å; M15-D76 HydrophobicContact CE-CB 3.59Å; D76-L78 PolarHBondContact O-N 3.47Å; D76-L78 WeakPolarHBondContact OD1-CB 3.41Å; D76-L78 PolarHBondContact OD1-N 3.27Å; D76-Q80 HydrophobicContact CB-CB 4.48Å; D76-Q80 VanDerWaalsContact O-CB 3.24Å; D76-Q80 WeakPolarHBondContact O-CB 3.37Å; D76-Y98 VanDerWaalsContact CA-O 3.23Å; D76-Y98 WeakPolarHBondContact CA-O 3.34Å; D76-T100 PolarHBondContact OD1-OG1 3.02Å; D76-T100 WeakPolarHBondContact OD2-CB 3.03Å; D76-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D76-T100 PolarHBondContact OD2-OG1 2.78Å
77	N	89.6	Confident	88.5	Confident	14 Å²	14	29.3 Å²	29.3	8%	0.075	16%	0.159	C	C	.	.	S	Bend	trans	-77.2	-10.7	175.4	42	61.8	0	0	0	114.3	V75 D97 Y98 S99 I107 F177	V75-N77 PolarHBondContact O-N 3.49Å; N77-D97 WeakPolarHBondContact CB-OD1 3.43Å; N77-D97 PolarHBondContact ND2-OD1 3.05Å; N77-Y98 PolarHBondContact N-O 3.38Å; N77-Y98 VanDerWaalsContact N-O 3.11Å; N77-Y98 PolarHBondContact ND2-O 3.39Å; N77-S99 WeakPolarHBondContact ND2-CA 3.4Å; N77-S99 PolarHBondContact ND2-N 2.92Å; N77-S99 PolarHBondContact ND2-OG 2.92Å; N77-S99 WeakPolarHBondContact OD1-CA 3.22Å; N77-S99 PolarHBondContact OD1-OG 2.81Å; N77-I107 HydrophobicContact CB-CD1 3.93Å; N77-I107 WeakPolarHBondContact ND2-CD1 3.36Å; N77-F177 HydrophobicContact CB-CE1 4.07Å
78	L	84.3	Confident	88.5	Confident	37 Å²	37	25.4 Å²	25.4	19%	0.194	14%	0.135	C	C	.	.	S	Bend	trans	-101.7	124.2	-178.6	-173.5	53.1	0	0	0	109.2	A5 D76 Q80 T101 L104	A5-L78 WeakPolarHBondContact CB-O 3.29Å; D76-L78 PolarHBondContact O-N 3.47Å; D76-L78 WeakPolarHBondContact OD1-CB 3.41Å; D76-L78 PolarHBondContact OD1-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.82Å; L78-T101 HydrophobicContact CD2-CG2 3.64Å; L78-L104 HydrophobicContact CD1-CD1 4.27Å
79	L	78.5	Confident	88.4	Confident	58 Å²	58	24.7 Å²	24.7	30%	0.304	13%	0.132	S	C	.	.	S	Bend	trans	58.8	37	172.6	-45	169.7	0	0	0	116.1	A5 T6 M158	A5-L79 HydrophobicContact CB-CB 4.44Å; T6-L79 PolarHBondContact N-O 2.84Å; T6-L79 PolarHBondContact OG1-O 3.49Å; L79-M158 WeakPolarHBondContact CA-SD 3.44Å; L79-M158 HydrophobicContact CB-CE 4.29Å; L79-M158 HydrophobicContact CB-SD 3.66Å; L79-M158 HydrophobicContact CD2-CE 3.65Å; L79-M158 HydrophobicContact CD2-SD 3.25Å; L79-M158 WeakPolarHBondContact CD2-SD 3.46Å; L79-M158 HydrophobicContact CG-CE 4.46Å; L79-M158 HydrophobicContact CG-SD 4.01Å
80	Q	83.7	Confident	87.9	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.103	C	C	.	.			trans	-132.4	65.4	-173.7	-161.9	48.9	27.4	0	0	115.3	I3 P4 Y34 V75 D76 L78 C82 G83 I84	I3-Q80 HydrophobicContact CG2-CG 3.62Å; P4-Q80 VanDerWaalsContact O-CD 3.22Å; P4-Q80 PolarHBondContact O-OE1 3.05Å; P4-Q80 VanDerWaalsContact O-OE1 3.1Å; Y34-Q80 PolarHBondContact OH-NE2 2.98Å; V75-Q80 HydrophobicContact CG1-CG 4.1Å; D76-Q80 HydrophobicContact CB-CB 4.48Å; D76-Q80 VanDerWaalsContact O-CB 3.24Å; D76-Q80 WeakPolarHBondContact O-CB 3.37Å; L78-Q80 PolarHBondContact O-N 2.82Å; Q80-C82 VanDerWaalsContact C-N 3.29Å; Q80-C82 PolarHBondContact O-N 3.31Å; Q80-G83 PolarHBondContact O-N 2.94Å; Q80-I84 PolarHBondContact O-N 3Å
81	P	81.9	Confident	86.8	Confident	10 Å²	10	28.4 Å²	28.4	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-37.1	179.9	24.9	-35.1	0	0	0	113	G83 I84 V85 M158 T159 W162 L169	P81-G83 PolarHBondContact O-N 3.05Å; P81-I84 WeakPolarHBondContact O-CB 3.4Å; P81-I84 PolarHBondContact O-N 2.71Å; P81-V85 WeakPolarHBondContact O-CG2 3.31Å; P81-V85 PolarHBondContact O-N 3.2Å; P81-M158 HydrophobicContact CG-CB 4.41Å; P81-T159 HydrophobicContact CB-CG2 4.38Å; P81-W162 HydrophobicContact CB-CD2 4.34Å; P81-W162 HydrophobicContact CB-CG 4.24Å; P81-W162 HydrophobicContact CG-CZ2 4.47Å; P81-L169 HydrophobicContact CB-CD2 4.02Å
82	C	84.6	Confident	86.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-44.6	178.3	-175.4	0	0	0	0	112.5	Y34 Q80 I84 V85 L86 W162	Y34-C82 WeakPolarHBondContact OH-CB 3.01Å; Q80-C82 VanDerWaalsContact C-N 3.29Å; Q80-C82 PolarHBondContact O-N 3.31Å; C82-I84 VanDerWaalsContact C-N 3.32Å; C82-I84 PolarHBondContact O-N 3.3Å; C82-V85 PolarHBondContact O-N 2.97Å; C82-L86 WeakPolarHBondContact O-CB 3.47Å; C82-L86 WeakPolarHBondContact O-CG 3.45Å; C82-L86 PolarHBondContact O-N 3.49Å; C82-W162 VanDerWaalsContact CA-CH2 3.48Å; C82-W162 HydrophobicContact CB-CH2 3.27Å; C82-W162 HydrophobicContact CB-CZ2 3.47Å; C82-W162 VanDerWaalsContact CB-CZ2 3.47Å; C82-W162 HydrophobicContact CB-CZ3 4.14Å; C82-W162 VanDerWaalsContact SG-CH2 3.52Å
83	G	88.4	Confident	85.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-37.2	179.5	0	0	0	0	0	112.1	Q80 P81 S87	Q80-G83 PolarHBondContact O-N 2.94Å; P81-G83 PolarHBondContact O-N 3.05Å; G83-S87 WeakPolarHBondContact O-CB 3.29Å; G83-S87 PolarHBondContact O-N 3.49Å; G83-S87 PolarHBondContact O-OG 2.85Å
84	I	88.4	Confident	85.8	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-49.7	172.5	-66.1	173.1	0	0	0	110.1	Q80 P81 C82 L86 S87 T88 L169 H173 V174 F177	Q80-I84 PolarHBondContact O-N 3Å; P81-I84 WeakPolarHBondContact O-CB 3.4Å; P81-I84 PolarHBondContact O-N 2.71Å; C82-I84 VanDerWaalsContact C-N 3.32Å; C82-I84 PolarHBondContact O-N 3.3Å; I84-L86 PolarHBondContact O-N 3.2Å; I84-S87 PolarHBondContact O-OG 3.35Å; I84-T88 WeakPolarHBondContact O-CB 3.17Å; I84-T88 WeakPolarHBondContact O-CG2 3.45Å; I84-T88 PolarHBondContact O-N 2.87Å; I84-T88 VanDerWaalsContact O-N 3.09Å; I84-T88 PolarHBondContact O-OG1 2.78Å; I84-L169 HydrophobicContact CG2-CD1 3.88Å; I84-H173 HydrophobicContact CG2-CB 4.38Å; I84-V174 HydrophobicContact CG2-CG2 4.39Å; I84-F177 HydrophobicContact CB-CG 4.45Å; I84-F177 HydrophobicContact CD1-CD1 4.4Å; I84-F177 HydrophobicContact CG1-CB 4.3Å; I84-F177 HydrophobicContact CG1-CD1 3.89Å; I84-F177 HydrophobicContact CG1-CD2 4.18Å; I84-F177 HydrophobicContact CG1-CE1 4.25Å; I84-F177 HydrophobicContact CG1-CG 3.85Å; I84-F177 HydrophobicContact CG2-CB 4.03Å; I84-F177 HydrophobicContact CG2-CG 4.44Å
85	V	85.9	Confident	85.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-47	179.1	178.1	0	0	0	0	111.4	Y62 P81 C82 T88 N89 W162 L169	Y62-V85 HydrophobicContact CD2-CB 4.47Å; Y62-V85 HydrophobicContact CD2-CG1 3.68Å; Y62-V85 HydrophobicContact CE2-CG1 3.53Å; P81-V85 WeakPolarHBondContact O-CG2 3.31Å; P81-V85 PolarHBondContact O-N 3.2Å; C82-V85 PolarHBondContact O-N 2.97Å; V85-T88 PolarHBondContact O-N 2.62Å; V85-N89 VanDerWaalsContact CG1-ND2 3.31Å; V85-N89 WeakPolarHBondContact CG1-ND2 3.46Å; V85-N89 VanDerWaalsContact O-CB 3.28Å; V85-N89 WeakPolarHBondContact O-CB 3.24Å; V85-N89 PolarHBondContact O-N 3.45Å; V85-N89 PolarHBondContact O-ND2 3.47Å; V85-W162 HydrophobicContact CG2-CE3 3.95Å; V85-W162 HydrophobicContact CG2-CZ3 4.42Å; V85-L169 HydrophobicContact CG2-CB 3.68Å; V85-L169 HydrophobicContact CG2-CD1 3.61Å; V85-L169 HydrophobicContact CG2-CD2 3.82Å; V85-L169 HydrophobicContact CG2-CG 3.89Å
86	L	87.1	Confident	85.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-44.3	-178	-76.4	167.4	0	0	0	112.3	I3 Y62 L65 W70 L73 C82 I84 T90	I3-L86 HydrophobicContact CD1-CD1 3.91Å; Y62-L86 HydrophobicContact CD2-CD2 3.67Å; Y62-L86 HydrophobicContact CD2-CG 4.03Å; Y62-L86 HydrophobicContact CE2-CD2 3.6Å; Y62-L86 HydrophobicContact CE2-CG 4.13Å; L65-L86 HydrophobicContact CB-CD1 3.84Å; L65-L86 HydrophobicContact CB-CD2 4.19Å; L65-L86 HydrophobicContact CD1-CD1 3.92Å; W70-L86 HydrophobicContact CH2-CD2 4.09Å; L73-L86 HydrophobicContact CD1-CB 4.13Å; C82-L86 WeakPolarHBondContact O-CB 3.47Å; C82-L86 WeakPolarHBondContact O-CG 3.45Å; C82-L86 PolarHBondContact O-N 3.49Å; I84-L86 PolarHBondContact O-N 3.2Å; L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 WeakPolarHBondContact O-CG2 3.39Å; L86-T90 PolarHBondContact O-N 2.86Å; L86-T90 PolarHBondContact O-OG1 2.7Å
87	S	90.1	Very high	85.8	Confident	1 Å²	1	31 Å²	31	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-66.9	-41.2	-179.8	50.9	0	0	0	0	112.4	G83 I84 T90 W95 F177	G83-S87 WeakPolarHBondContact O-CB 3.29Å; G83-S87 PolarHBondContact O-N 3.49Å; G83-S87 PolarHBondContact O-OG 2.85Å; I84-S87 PolarHBondContact O-OG 3.35Å; S87-T90 PolarHBondContact O-OG1 3.18Å; S87-W95 WeakPolarHBondContact O-CZ3 3.27Å; S87-F177 VanDerWaalsContact OG-CD2 3.23Å; S87-F177 WeakPolarHBondContact OG-CD2 3.3Å
88	T	87.1	Confident	86	Confident	26 Å²	26	30.3 Å²	30.3	16%	0.16	17%	0.167	C	C	.	.	H	α-helix	trans	-86.1	-23	-174.1	53.9	0	0	0	0	114.3	I84 V85 W95 H173 D176 F177	I84-T88 WeakPolarHBondContact O-CB 3.17Å; I84-T88 WeakPolarHBondContact O-CG2 3.45Å; I84-T88 PolarHBondContact O-N 2.87Å; I84-T88 VanDerWaalsContact O-N 3.09Å; I84-T88 PolarHBondContact O-OG1 2.78Å; V85-T88 PolarHBondContact O-N 2.62Å; T88-W95 HydrophobicContact CG2-CZ2 4.35Å; T88-H173 HydrophobicContact CG2-CB 4.44Å; T88-H173 WeakPolarHBondContact CG2-O 3.24Å; T88-H173 PolarHBondContact OG1-CD2 3.42Å; T88-D176 HydrophobicContact CG2-CB 4.13Å; T88-F177 HydrophobicContact CG2-CB 4.02Å
89	N	83.3	Confident	86.4	Confident	40 Å²	40	28.6 Å²	28.6	21%	0.214	16%	0.158	C	C	.	.	H	α-helix	trans	-87.7	-16.4	175.1	-74.9	-67.3	0	0	0	114.1	V85 K91 M168 H173	V85-N89 VanDerWaalsContact CG1-ND2 3.31Å; V85-N89 WeakPolarHBondContact CG1-ND2 3.46Å; V85-N89 VanDerWaalsContact O-CB 3.28Å; V85-N89 WeakPolarHBondContact O-CB 3.24Å; V85-N89 PolarHBondContact O-N 3.45Å; V85-N89 PolarHBondContact O-ND2 3.47Å; N89-K91 PolarHBondContact O-N 3.26Å; N89-M168 PolarHBondContact ND2-O 3.24Å; N89-M168 VanDerWaalsContact ND2-O 3.13Å; N89-H173 PolarHBondContact OD1-NE2 3.36Å
90	T	76	Confident	86.9	Confident	26 Å²	26	26 Å²	26	16%	0.16	14%	0.144	C	C	.	.	S	Bend	trans	-84.3	81.1	177.1	48.7	0	0	0	0	111.2	W70 L86 S87 G92 R93	W70-T90 HydrophobicContact CH2-CG2 4.48Å; W70-T90 HydrophobicContact CZ2-CG2 3.85Å; L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 WeakPolarHBondContact O-CG2 3.39Å; L86-T90 PolarHBondContact O-N 2.86Å; L86-T90 PolarHBondContact O-OG1 2.7Å; S87-T90 PolarHBondContact O-OG1 3.18Å; T90-G92 PolarHBondContact O-N 3.21Å; T90-R93 PolarHBondContact O-N 2.95Å
91	K	68.3	Low	86.9	Confident	208 Å²	208	26.6 Å²	26.6	90%	0.904	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	107.3	-178.6	-70.6	-172.4	178.8	-178.1	0	111.7	N89	N89-K91 PolarHBondContact O-N 3.26Å
92	G	77.6	Confident	86.9	Confident	83 Å²	83	26.5 Å²	26.5	86%	0.856	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.5	-9.5	173.9	0	0	0	0	0	116.1	T90	T90-G92 PolarHBondContact O-N 3.21Å
93	R	88.6	Confident	87.1	Confident	81 Å²	81	27.6 Å²	27.6	31%	0.306	15%	0.154	S	C	.	.			trans	-82.9	134.7	175.1	-67.7	-171.3	-179.5	178.3	-2.6	110.2	N69 T90	N69-R93 PolarHBondContact OD1-NH2 3.36Å; T90-R93 PolarHBondContact O-N 2.95Å
94	P	93.2	Very high	86.9	Confident	23 Å²	23	29 Å²	29	15%	0.149	16%	0.161	C	C	.	.			trans	-78.1	153.5	-179.3	31.6	-34.8	0	0	0	112.2	D71 L72 L73 V182 Y398	D71-P94 VanDerWaalsContact O-CD 3.23Å; D71-P94 WeakPolarHBondContact O-CD 3.36Å; D71-P94 WeakPolarHBondContact O-CG 3.42Å; L72-P94 HydrophobicContact CD1-CB 3.82Å; L72-P94 HydrophobicContact CD1-CG 3.83Å; L73-P94 PolarHBondContact N-O 3.42Å; L73-P94 VanDerWaalsContact N-O 3.13Å; P94-V182 HydrophobicContact CB-CG2 3.74Å; P94-Y398 HydrophobicContact CB-CE1 3.52Å; P94-Y398 WeakPolarHBondContact CB-OH 3.28Å; P94-Y398 HydrophobicContact CG-CE1 3.73Å
95	W	95.1	Very high	86.8	Confident	28 Å²	28	29.2 Å²	29.2	11%	0.106	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.3	168.7	69	97	0	0	0	111.8	L73 S87 T88 D176 F177 N180 V182	L73-W95 HydrophobicContact CB-CB 3.85Å; L73-W95 CarbonylContact O-C 3.5Å; L73-W95 WeakPolarHBondContact O-CA 3.33Å; S87-W95 WeakPolarHBondContact O-CZ3 3.27Å; T88-W95 HydrophobicContact CG2-CZ2 4.35Å; W95-D176 WeakPolarHBondContact CZ2-O 2.97Å; W95-F177 AromaticContact CD1-CD2 3.66Å; W95-F177 AromaticContact CD1-CE2 3.57Å; W95-F177 AromaticContact NE1-CD2 3.47Å; W95-F177 AromaticContact NE1-CE2 3.87Å; W95-F177 PolarHBondContact NE1-O 2.85Å; W95-N180 HydrophobicContact CH2-CB 3.57Å; W95-N180 HydrophobicContact CZ2-CB 3.53Å; W95-V182 WeakPolarHBondContact O-CB 3.03Å; W95-V182 PolarHBondContact O-N 3.27Å
96	I	95.6	Very high	86.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.9	171	-71	173.4	0	0	0	108	L72 L73 I74 V75 V182 Y183 L185 I395	L72-I96 HydrophobicContact CD1-CD1 4.48Å; L72-I96 HydrophobicContact CD1-CG1 4.29Å; L72-I96 HydrophobicContact CD2-CD1 3.97Å; L73-I96 PolarHBondContact O-N 3.25Å; I74-I96 HydrophobicContact CG1-CB 4.24Å; I74-I96 HydrophobicContact CG1-CD1 4.35Å; I74-I96 HydrophobicContact CG2-CB 4.33Å; I74-I96 HydrophobicContact CG2-CG2 4.2Å; V75-I96 PolarHBondContact N-O 3.39Å; I96-V182 HydrophobicContact CG1-CB 4.23Å; I96-Y183 HydrophobicContact CD1-CD2 4Å; I96-Y183 HydrophobicContact CG1-CD2 4.32Å; I96-L185 HydrophobicContact CD1-CD1 4.46Å; I96-L185 HydrophobicContact CG2-CB 4.45Å; I96-L185 HydrophobicContact CG2-CD1 3.52Å; I96-L185 HydrophobicContact CG2-CG 3.69Å; I96-I395 HydrophobicContact CD1-CD1 4.02Å; I96-I395 HydrophobicContact CD1-CG1 3.6Å
97	D	94.5	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.6	172.4	170.7	7.7	0	0	0	107.9	N77 I107 F177 H178 A181 Y183 S184 L185	N77-D97 WeakPolarHBondContact CB-OD1 3.43Å; N77-D97 PolarHBondContact ND2-OD1 3.05Å; D97-I107 WeakPolarHBondContact OD2-CG2 3.36Å; D97-F177 HydrophobicContact CB-CE1 4.24Å; D97-F177 HydrophobicContact CB-CZ 4.19Å; D97-H178 IonicContact OD1-ND1 2.76Å; D97-H178 IonicContact OD2-CE1 3.73Å; D97-H178 IonicContact OD2-CG 3.97Å; D97-H178 IonicContact OD2-ND1 2.62Å; D97-H178 PolarHBondContact OD2-ND1 2.78Å; D97-A181 HydrophobicContact CB-CB 3.57Å; D97-Y183 PolarHBondContact N-O 3.08Å; D97-S184 CarbonylContact O-C 3.44Å; D97-S184 WeakPolarHBondContact O-CA 3.3Å; D97-S184 PolarHBondContact OD2-OG 3.43Å; D97-L185 PolarHBondContact O-N 2.61Å
98	Y	94.7	Very high	86.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.6	-170.5	-173	-176.9	0	0	0	112.4	F2 S14 M15 L18 I74 V75 D76 N77 T100 L185 Y207	F2-Y98 HydrophobicContact CE1-CE1 4.42Å; S14-Y98 PolarHBondContact O-OH 2.89Å; M15-Y98 HydrophobicContact CB-CE1 4.18Å; M15-Y98 HydrophobicContact CE-CD1 3.67Å; M15-Y98 HydrophobicContact CE-CE1 4.15Å; M15-Y98 HydrophobicContact CE-CG 4.05Å; M15-Y98 HydrophobicContact CG-CD1 4.12Å; M15-Y98 HydrophobicContact CG-CE1 3.64Å; M15-Y98 HydrophobicContact SD-CD1 4.2Å; M15-Y98 HydrophobicContact SD-CE1 4.29Å; L18-Y98 HydrophobicContact CD2-CD1 4.47Å; L18-Y98 HydrophobicContact CD2-CE1 3.93Å; I74-Y98 HydrophobicContact CG2-CD1 3.52Å; I74-Y98 HydrophobicContact CG2-CE1 4.45Å; I74-Y98 HydrophobicContact CG2-CG 4.25Å; V75-Y98 PolarHBondContact O-N 2.97Å; D76-Y98 VanDerWaalsContact CA-O 3.23Å; D76-Y98 WeakPolarHBondContact CA-O 3.34Å; N77-Y98 PolarHBondContact N-O 3.38Å; N77-Y98 VanDerWaalsContact N-O 3.11Å; N77-Y98 PolarHBondContact ND2-O 3.39Å; Y98-T100 PolarHBondContact O-N 2.79Å; Y98-L185 CarbonylContact C-O 3.51Å; Y98-L185 WeakPolarHBondContact CA-O 3.46Å; Y98-L185 HydrophobicContact CD2-CB 4.01Å; Y98-L185 WeakPolarHBondContact CD2-O 3.32Å; Y98-L185 HydrophobicContact CG-CB 4.34Å; Y98-Y207 VanDerWaalsContact OH-CZ 3.25Å; Y98-Y207 PolarHBondContact OH-OH 2.69Å
99	S	92.1	Very high	86.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.7	171.2	-63	0	0	0	0	111.1	N77 T101 I107 L185 G186 S187	N77-S99 WeakPolarHBondContact ND2-CA 3.4Å; N77-S99 PolarHBondContact ND2-N 2.92Å; N77-S99 PolarHBondContact ND2-OG 2.92Å; N77-S99 WeakPolarHBondContact OD1-CA 3.22Å; N77-S99 PolarHBondContact OD1-OG 2.81Å; S99-T101 PolarHBondContact O-N 3.3Å; S99-I107 WeakPolarHBondContact OG-CD1 3.49Å; S99-L185 PolarHBondContact N-O 2.59Å; S99-G186 CarbonylContact O-C 3Å; S99-S187 VanDerWaalsContact O-CB 3.28Å; S99-S187 WeakPolarHBondContact O-CB 3.45Å; S99-S187 PolarHBondContact O-N 3.31Å; S99-S187 PolarHBondContact O-OG 3.44Å
100	T	87.9	Confident	87.3	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.018	19%	0.192	C	C	.	.	S	Bend	trans	-78.6	-2.8	167.8	53.1	0	0	0	0	113.3	H11 M15 D76 Y98 S187	H11-T100 PolarHBondContact CE1-OG1 3.46Å; H11-T100 PolarHBondContact ND1-OG1 2.88Å; M15-T100 HydrophobicContact CE-CG2 3.54Å; M15-T100 HydrophobicContact CG-CG2 3.68Å; M15-T100 HydrophobicContact SD-CG2 4.42Å; D76-T100 PolarHBondContact OD1-OG1 3.02Å; D76-T100 WeakPolarHBondContact OD2-CB 3.03Å; D76-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D76-T100 PolarHBondContact OD2-OG1 2.78Å; Y98-T100 PolarHBondContact O-N 2.79Å; T100-S187 VanDerWaalsContact CA-OG 3.24Å; T100-S187 WeakPolarHBondContact CA-OG 3.45Å; T100-S187 PolarHBondContact O-OG 2.04Å; T100-S187 VanDerWaalsContact O-OG 3.06Å
101	T	83.8	Confident	88.1	Confident	14 Å²	14	37 Å²	37	9%	0.086	18%	0.184	C	C	.	.	S	Bend	trans	-114	-163.6	167.5	61.2	0	0	0	0	110.2	L78 S99 S187	L78-T101 HydrophobicContact CD2-CG2 3.64Å; S99-T101 PolarHBondContact O-N 3.3Å; T101-S187 PolarHBondContact N-OG 3.44Å; T101-S187 PolarHBondContact O-OG 3.45Å
102	A	83.6	Confident	89.3	Confident	9 Å²	9	27.3 Å²	27.3	7%	0.074	14%	0.142	C	C	.	.	S	Bend	trans	-61.6	142.5	168	0	0	0	0	0	110.7	L104 L188	A102-L104 PolarHBondContact O-N 2.95Å; A102-L188 HydrophobicContact CB-CD2 4.16Å
103	M	87.6	Confident	90	Very high	23 Å²	23	23.7 Å²	23.7	11%	0.113	10%	0.104	C	C	.	.			trans	-64.4	113.6	179.8	-170.9	177.4	-62.9	0	0	110.7	I107 R108 T202	M103-I107 HydrophobicContact CG-CB 4.37Å; M103-I107 HydrophobicContact CG-CD1 4.44Å; M103-I107 HydrophobicContact CG-CG2 4.38Å; M103-R108 HydrophobicContact CG-CG 4.49Å; M103-R108 HydrophobicContact SD-CG 4.04Å; M103-T202 HydrophobicContact CE-CG2 4.15Å; M103-T202 HydrophobicContact SD-CG2 3.51Å; M103-T202 VanDerWaalsContact SD-CG2 3.51Å
104	L	84.6	Confident	90	Very high	28 Å²	28	23.6 Å²	23.6	15%	0.147	11%	0.109	C	C	.	.			trans	-63.2	144.8	-174.4	-56.9	175.7	0	0	0	111.2	L78 A102 H106 I107	L78-L104 HydrophobicContact CD1-CD1 4.27Å; A102-L104 PolarHBondContact O-N 2.95Å; L104-H106 VanDerWaalsContact C-N 3.29Å; L104-H106 VanDerWaalsContact CB-CE1 3.42Å; L104-H106 WeakPolarHBondContact CB-CE1 3.28Å; L104-H106 VanDerWaalsContact CD1-CE1 3.44Å; L104-H106 WeakPolarHBondContact CD1-CE1 3.02Å; L104-H106 PolarHBondContact O-N 2.91Å; L104-I107 HydrophobicContact CB-CD1 3.88Å; L104-I107 HydrophobicContact CB-CG1 4.14Å; L104-I107 HydrophobicContact CG-CD1 4.33Å; L104-I107 WeakPolarHBondContact O-CB 3.43Å; L104-I107 PolarHBondContact O-N 3.37Å; L104-I107 VanDerWaalsContact O-N 3.08Å
105	K	87	Confident	89.8	Confident	19 Å²	19	23.3 Å²	23.3	8%	0.083	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-38.1	-172.8	-57.4	-171.8	-175.8	148.3	0	112.9	I107 R108 R109 D120 S122 E147	K105-I107 VanDerWaalsContact C-N 3.27Å; K105-I107 PolarHBondContact O-N 2.8Å; K105-R108 PolarHBondContact O-N 3.3Å; K105-R109 PolarHBondContact O-N 2.68Å; K105-R109 VanDerWaalsContact O-N 3.1Å; K105-D120 WeakPolarHBondContact CD-OD2 3.21Å; K105-D120 WeakPolarHBondContact CE-OD2 3.42Å; K105-D120 WeakPolarHBondContact CG-OD2 3.34Å; K105-S122 PolarHBondContact NZ-OG 3.27Å; K105-S122 VanDerWaalsContact NZ-OG 3.15Å; K105-E147 WeakPolarHBondContact CD-OE2 3.45Å; K105-E147 WeakPolarHBondContact CE-OE2 3.47Å; K105-E147 IonicContact NZ-OE2 3.82Å; K105-E147 PolarHBondContact NZ-OE2 3.34Å
106	H	84.1	Confident	89.5	Confident	39 Å²	39	24.8 Å²	24.8	18%	0.181	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-31.6	179.4	67	-92.4	0	0	0	112.3	L104 R109 Y110 L151 H178	L104-H106 VanDerWaalsContact C-N 3.29Å; L104-H106 VanDerWaalsContact CB-CE1 3.42Å; L104-H106 WeakPolarHBondContact CB-CE1 3.28Å; L104-H106 VanDerWaalsContact CD1-CE1 3.44Å; L104-H106 WeakPolarHBondContact CD1-CE1 3.02Å; L104-H106 PolarHBondContact O-N 2.91Å; H106-R109 WeakPolarHBondContact O-CB 3.38Å; H106-R109 PolarHBondContact O-N 2.85Å; H106-Y110 HydrophobicContact CB-CD2 4.39Å; H106-Y110 HydrophobicContact CB-CE2 4.13Å; H106-Y110 AromaticContact CD2-CE2 3.92Å; H106-Y110 WeakPolarHBondContact O-CD2 3.28Å; H106-Y110 PolarHBondContact O-N 3.47Å; H106-L151 WeakPolarHBondContact ND1-CD1 3.35Å; H106-H178 AromaticContact CD2-NE2 3.91Å; H106-H178 AromaticContact NE2-CE1 3.93Å; H106-H178 AromaticContact NE2-NE2 3.7Å
107	I	89.1	Confident	89	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-51.2	176.2	-57.7	170.6	0	0	0	108.7	N77 D97 S99 M103 L104 K105 R109 Y110 R111	N77-I107 HydrophobicContact CB-CD1 3.93Å; N77-I107 WeakPolarHBondContact ND2-CD1 3.36Å; D97-I107 WeakPolarHBondContact OD2-CG2 3.36Å; S99-I107 WeakPolarHBondContact OG-CD1 3.49Å; M103-I107 HydrophobicContact CG-CB 4.37Å; M103-I107 HydrophobicContact CG-CD1 4.44Å; M103-I107 HydrophobicContact CG-CG2 4.38Å; L104-I107 HydrophobicContact CB-CD1 3.88Å; L104-I107 HydrophobicContact CB-CG1 4.14Å; L104-I107 HydrophobicContact CG-CD1 4.33Å; L104-I107 WeakPolarHBondContact O-CB 3.43Å; L104-I107 PolarHBondContact O-N 3.37Å; L104-I107 VanDerWaalsContact O-N 3.08Å; K105-I107 VanDerWaalsContact C-N 3.27Å; K105-I107 PolarHBondContact O-N 2.8Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 2.93Å; I107-Y110 PolarHBondContact O-N 3.13Å; I107-Y110 VanDerWaalsContact O-N 3.09Å; I107-R111 HydrophobicContact CG2-CG 4.14Å; I107-R111 WeakPolarHBondContact O-CB 3.32Å; I107-R111 WeakPolarHBondContact O-CG 3.46Å; I107-R111 PolarHBondContact O-N 2.89Å
108	R	90.2	Very high	88.6	Confident	17 Å²	17	29 Å²	29	6%	0.064	15%	0.148	C	C	.	.	H	α-helix	trans	-53.9	-43.6	175	-78.7	179.7	-81.3	148.5	-6.7	111.8	M103 K105 R111 A112 V113 D120	M103-R108 HydrophobicContact CG-CG 4.49Å; M103-R108 HydrophobicContact SD-CG 4.04Å; K105-R108 PolarHBondContact O-N 3.3Å; R108-R111 CarbonylContact O-C 3.58Å; R108-R111 PolarHBondContact O-N 3.45Å; R108-A112 PolarHBondContact O-N 3.13Å; R108-V113 CarbonylContact C-O 3.57Å; R108-V113 HydrophobicContact CB-CB 4.01Å; R108-V113 HydrophobicContact CG-CB 4.17Å; R108-V113 HydrophobicContact CG-CG1 4.33Å; R108-V113 PolarHBondContact O-N 2.83Å; R108-D120 IonicContact CZ-OD2 2.96Å; R108-D120 IonicContact NH1-OD1 3.77Å; R108-D120 IonicContact NH1-OD2 3.82Å; R108-D120 PolarHBondContact NH1-OD2 3.14Å; R108-D120 IonicContact NH2-OD1 2.83Å; R108-D120 IonicContact NH2-OD2 3.34Å; R108-D120 PolarHBondContact NH2-OD2 3.04Å
109	R	88.8	Confident	88.3	Confident	132 Å²	132	31.3 Å²	31.3	50%	0.498	16%	0.163	S	C	.	.	H	α-helix	trans	-59.6	-50	174.4	-176.9	-178	174.7	-171.9	-3	112.7	K105 H106 I107 R111 A112 T417	K105-R109 PolarHBondContact O-N 2.68Å; K105-R109 VanDerWaalsContact O-N 3.1Å; H106-R109 WeakPolarHBondContact O-CB 3.38Å; H106-R109 PolarHBondContact O-N 2.85Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 2.93Å; R109-R111 PolarHBondContact O-N 3.17Å; R109-A112 WeakPolarHBondContact O-CA 3.43Å; R109-A112 PolarHBondContact O-N 3.48Å; R109-T417 PolarHBondContact NH2-OG1 2.63Å
110	Y	90.3	Very high	88.1	Confident	70 Å²	70	31.5 Å²	31.5	28%	0.275	16%	0.163	S	C	.	.	H	α-helix	trans	-65.8	-23.8	177.8	-70.9	-54.2	0	0	0	113.2	H106 I107 A112 N175 H178 T179	H106-Y110 HydrophobicContact CB-CD2 4.39Å; H106-Y110 HydrophobicContact CB-CE2 4.13Å; H106-Y110 AromaticContact CD2-CE2 3.92Å; H106-Y110 WeakPolarHBondContact O-CD2 3.28Å; H106-Y110 PolarHBondContact O-N 3.47Å; I107-Y110 PolarHBondContact O-N 3.13Å; I107-Y110 VanDerWaalsContact O-N 3.09Å; Y110-A112 VanDerWaalsContact C-N 3.31Å; Y110-N175 HydrophobicContact CE1-CB 4.28Å; Y110-N175 WeakPolarHBondContact CE1-OD1 3.29Å; Y110-N175 PolarHBondContact OH-OD1 3.4Å; Y110-H178 HydrophobicContact CD2-CB 3.96Å; Y110-H178 AromaticContact CD2-CD2 3.77Å; Y110-H178 HydrophobicContact CG-CB 4.05Å; Y110-T179 HydrophobicContact CD1-CG2 4.12Å; Y110-T179 HydrophobicContact CG-CG2 4.42Å
111	R	93.1	Very high	88	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.4	173.1	-58.1	-59.6	-70.7	-175.1	-15.5	113.3	I107 R108 R109 V113 H178 T179 A181 V182 S184 N201 T202 I413	I107-R111 HydrophobicContact CG2-CG 4.14Å; I107-R111 WeakPolarHBondContact O-CB 3.32Å; I107-R111 WeakPolarHBondContact O-CG 3.46Å; I107-R111 PolarHBondContact O-N 2.89Å; R108-R111 CarbonylContact O-C 3.58Å; R108-R111 PolarHBondContact O-N 3.45Å; R109-R111 PolarHBondContact O-N 3.17Å; R111-V113 HydrophobicContact CB-CG2 4.1Å; R111-V113 PolarHBondContact O-N 2.82Å; R111-H178 WeakPolarHBondContact CD-O 3.3Å; R111-H178 PolarHBondContact NH1-O 3.49Å; R111-T179 PolarHBondContact NH1-O 3.33Å; R111-A181 PolarHBondContact NH1-O 3.09Å; R111-A181 PolarHBondContact NH2-O 3.45Å; R111-V182 PolarHBondContact NH2-O 2.88Å; R111-S184 VanDerWaalsContact CD-OG 3.27Å; R111-S184 WeakPolarHBondContact CD-OG 3.48Å; R111-S184 WeakPolarHBondContact CG-OG 3.47Å; R111-S184 PolarHBondContact NE-OG 3.08Å; R111-N201 PolarHBondContact NH2-ND2 3.05Å; R111-N201 PolarHBondContact NH2-O 2.74Å; R111-T202 HydrophobicContact CB-CG2 4.23Å; R111-T202 WeakPolarHBondContact CB-OG1 3.2Å; R111-T202 HydrophobicContact CG-CG2 4.27Å; R111-T202 WeakPolarHBondContact CG-OG1 3.45Å; R111-T202 PolarHBondContact NE-OG1 3.45Å; R111-I413 VanDerWaalsContact C-CG1 3.48Å
112	A	93.2	Very high	87.9	Confident	3 Å²	3	30.7 Å²	30.7	3%	0.025	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	31.2	-176	0	0	0	0	0	114.3	R108 R109 Y110 N114 L410 I413 Y420	R108-A112 PolarHBondContact O-N 3.13Å; R109-A112 WeakPolarHBondContact O-CA 3.43Å; R109-A112 PolarHBondContact O-N 3.48Å; Y110-A112 VanDerWaalsContact C-N 3.31Å; A112-N114 PolarHBondContact O-N 2.57Å; A112-L410 HydrophobicContact CB-CB 4.09Å; A112-L410 HydrophobicContact CB-CD1 4.28Å; A112-L410 WeakPolarHBondContact O-CD1 3.32Å; A112-I413 HydrophobicContact CB-CG1 3.75Å; A112-Y420 HydrophobicContact CB-CE2 3.95Å; A112-Y420 PolarHBondContact O-OH 2.99Å
113	V	93	Very high	87.4	Confident	8 Å²	8	31.6 Å²	31.6	5%	0.048	16%	0.163	C	C	.	.			trans	-88.6	97.2	168.2	-173.4	0	0	0	0	107.5	R108 R111 V115 P197 T199 T202 L410	R108-V113 CarbonylContact C-O 3.57Å; R108-V113 HydrophobicContact CB-CB 4.01Å; R108-V113 HydrophobicContact CG-CB 4.17Å; R108-V113 HydrophobicContact CG-CG1 4.33Å; R108-V113 PolarHBondContact O-N 2.83Å; R111-V113 HydrophobicContact CB-CG2 4.1Å; R111-V113 PolarHBondContact O-N 2.82Å; V113-V115 HydrophobicContact CG1-CG2 4.47Å; V113-V115 PolarHBondContact O-N 3.49Å; V113-P197 HydrophobicContact CG1-CB 4.31Å; V113-P197 WeakPolarHBondContact CG1-O 3.35Å; V113-T199 HydrophobicContact CG2-CG2 3.61Å; V113-T202 HydrophobicContact CG2-CG2 4.02Å; V113-L410 HydrophobicContact CG2-CD1 4.38Å
114	N	88.4	Confident	86.8	Confident	78 Å²	78	33.9 Å²	33.9	42%	0.417	18%	0.176	S	C	.	.			trans	-73.8	125.7	-180	-171	27.5	0	0	0	111.2	A112 Y420 H421	A112-N114 PolarHBondContact O-N 2.57Å; N114-Y420 HydrophobicContact CB-CE1 4.02Å; N114-Y420 WeakPolarHBondContact CB-OH 3.36Å; N114-H421 PolarHBondContact OD1-CE1 3.04Å
115	V	89.5	Confident	86.4	Confident	18 Å²	18	37.4 Å²	37.4	11%	0.109	19%	0.194	C	C	.	.			trans	-132.2	116.8	170	-178.3	0	0	0	0	108	V113 V119 D120 L196 P197	V113-V115 HydrophobicContact CG1-CG2 4.47Å; V113-V115 PolarHBondContact O-N 3.49Å; V115-V119 HydrophobicContact CG1-CG2 3.83Å; V115-D120 HydrophobicContact CG1-CB 4.1Å; V115-L196 HydrophobicContact CG1-CD1 4.31Å; V115-L196 HydrophobicContact CG1-CD2 3.69Å; V115-L196 HydrophobicContact CG1-CG 4.41Å; V115-L196 HydrophobicContact CG2-CB 4.46Å; V115-P197 HydrophobicContact CG2-CG 4.41Å
116	P	87.8	Confident	86.1	Confident	59 Å²	59	36.8 Å²	36.8	38%	0.383	19%	0.191	S	C	.	.			trans	-58.6	135.2	177.3	-24.5	33.7	0	0	0	111.2	S118 V119	P116-S118 PolarHBondContact O-N 2.91Å; P116-V119 HydrophobicContact CB-CG2 4.3Å; P116-V119 HydrophobicContact CG-CG2 4.46Å; P116-V119 VanDerWaalsContact O-CG2 3.28Å; P116-V119 WeakPolarHBondContact O-CG2 3.37Å; P116-V119 PolarHBondContact O-N 2.94Å
117	P	85.2	Confident	86.1	Confident	47 Å²	47	39.9 Å²	39.9	31%	0.305	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-55.3	-24.5	176.4	-27.8	35.2	0	0	0	113.7	V119 D120 S140 H144	P117-V119 PolarHBondContact O-N 3.29Å; P117-D120 PolarHBondContact O-N 2.99Å; P117-S140 WeakPolarHBondContact O-CB 3.42Å; P117-H144 HydrophobicContact CB-CB 4.23Å
118	S	86.9	Confident	86.1	Confident	40 Å²	40	43.9 Å²	43.9	28%	0.28	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-67.3	-17.5	178.5	57.2	0	0	0	0	115.1	P116	P116-S118 PolarHBondContact O-N 2.91Å
119	V	88.9	Confident	86.1	Confident	50 Å²	50	43.2 Å²	43.2	30%	0.303	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-115	-0.9	-179.1	-59	0	0	0	0	113	V115 P116 P117 P131 L196	V115-V119 HydrophobicContact CG1-CG2 3.83Å; P116-V119 HydrophobicContact CB-CG2 4.3Å; P116-V119 HydrophobicContact CG-CG2 4.46Å; P116-V119 VanDerWaalsContact O-CG2 3.28Å; P116-V119 WeakPolarHBondContact O-CG2 3.37Å; P116-V119 PolarHBondContact O-N 2.94Å; P117-V119 PolarHBondContact O-N 3.29Å; V119-P131 HydrophobicContact CG1-CB 4.39Å; V119-L196 HydrophobicContact CG2-CD2 4.24Å
120	D	86.9	Confident	86.2	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-104.6	131.5	-176.5	-159.8	-9.6	0	0	0	111.2	K105 R108 V115 P117 S122	K105-D120 WeakPolarHBondContact CD-OD2 3.21Å; K105-D120 WeakPolarHBondContact CE-OD2 3.42Å; K105-D120 WeakPolarHBondContact CG-OD2 3.34Å; R108-D120 IonicContact CZ-OD2 2.96Å; R108-D120 IonicContact NH1-OD1 3.77Å; R108-D120 IonicContact NH1-OD2 3.82Å; R108-D120 PolarHBondContact NH1-OD2 3.14Å; R108-D120 IonicContact NH2-OD1 2.83Å; R108-D120 IonicContact NH2-OD2 3.34Å; R108-D120 PolarHBondContact NH2-OD2 3.04Å; V115-D120 HydrophobicContact CG1-CB 4.1Å; P117-D120 PolarHBondContact O-N 2.99Å; D120-S122 PolarHBondContact O-N 3.37Å
121	V	86.7	Confident	86.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	22%	0.215	C	C	.	.			trans	-72	126.3	-179.6	-177.3	0	0	0	0	109.2	F129 V194 R332 I335 L336	V121-F129 HydrophobicContact CG2-CB 4.34Å; V121-F129 HydrophobicContact CG2-CD1 3.63Å; V121-F129 HydrophobicContact CG2-CD2 4.46Å; V121-F129 HydrophobicContact CG2-CE1 3.97Å; V121-F129 HydrophobicContact CG2-CG 3.9Å; V121-V194 HydrophobicContact CG2-CB 4.44Å; V121-V194 HydrophobicContact CG2-CG2 3.47Å; V121-V194 VanDerWaalsContact CG2-CG2 3.47Å; V121-R332 HydrophobicContact CG1-CG 3.98Å; V121-I335 HydrophobicContact CG1-CB 4.05Å; V121-I335 HydrophobicContact CG1-CD1 4.14Å; V121-I335 HydrophobicContact CG1-CG2 3.66Å; V121-L336 HydrophobicContact CG2-CD2 4.01Å
122	S	80.2	Confident	86	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.			trans	-114.1	137.2	173.8	-162.5	0	0	0	0	110.7	K105 D120 E143	K105-S122 PolarHBondContact NZ-OG 3.27Å; K105-S122 VanDerWaalsContact NZ-OG 3.15Å; D120-S122 PolarHBondContact O-N 3.37Å; S122-E143 WeakPolarHBondContact CA-OE2 3.5Å; S122-E143 WeakPolarHBondContact CB-OE2 3.48Å; S122-E143 VanDerWaalsContact O-OE2 3.1Å; S122-E143 WeakPolarHBondContact OG-CB 3.49Å; S122-E143 PolarHBondContact OG-OE2 3.45Å
123	P	74.2	Confident	86	Confident	27 Å²	27	48 Å²	48	18%	0.175	27%	0.266	C	S	.	.			trans	-107.6	20.1	-166.6	41.7	-37.8	0	0	0	115.4	V331 R332	P123-V331 HydrophobicContact CB-CB 4.08Å; P123-V331 HydrophobicContact CB-CG1 4.26Å; P123-V331 VanDerWaalsContact O-CB 3.28Å; P123-V331 WeakPolarHBondContact O-CB 3.17Å; P123-V331 WeakPolarHBondContact O-CG1 3.43Å; P123-R332 HydrophobicContact CB-CB 3.54Å; P123-R332 HydrophobicContact CB-CG 4.17Å; P123-R332 HydrophobicContact CG-CB 4.19Å
124	L	74.8	Confident	86	Confident	72 Å²	72	54.3 Å²	54.3	38%	0.377	29%	0.293	S	S	.	.	S	Bend	trans	-86.1	-48.2	-171.6	-72.3	166.7	0	0	0	112.7	E143 L146 E147 L150	L124-E143 HydrophobicContact CB-CB 4.49Å; L124-E143 HydrophobicContact CB-CG 4Å; L124-E143 HydrophobicContact CD1-CB 4.24Å; L124-E143 PolarHBondContact N-OE2 2.85Å; L124-L146 HydrophobicContact CD1-CB 3.56Å; L124-L146 HydrophobicContact CD1-CD1 4.48Å; L124-E147 HydrophobicContact CD1-CB 4.29Å; L124-L150 HydrophobicContact CD2-CD2 4.16Å
125	I	75.3	Confident	86.1	Confident	102 Å²	102	57.5 Å²	57.5	52%	0.523	30%	0.303	S	S	.	.	S	Bend	trans	-126.6	-33.9	-169	-50.2	174.1	0	0	0	110.4	E143 L146	I125-E143 VanDerWaalsContact CA-OE1 3.28Å; I125-E143 WeakPolarHBondContact CA-OE1 3.45Å; I125-E143 VanDerWaalsContact CB-OE1 3.26Å; I125-E143 WeakPolarHBondContact CB-OE1 3.43Å; I125-E143 HydrophobicContact CD1-CG 4.35Å; I125-E143 HydrophobicContact CG1-CG 4.31Å; I125-E143 PolarHBondContact N-OE1 2.84Å; I125-L146 HydrophobicContact CD1-CD1 4.14Å
126	M	82.1	Confident	86.2	Confident	5 Å²	5	57 Å²	57	3%	0.025	30%	0.3	C	S	.	.			trans	-66	137.1	-173.6	-71.1	176.4	64.2	0	0	113.5	E128 F129 N136 L139 E143 I335 R345	M126-E128 WeakPolarHBondContact CE-O 3.36Å; M126-F129 HydrophobicContact CE-CB 4.21Å; M126-F129 HydrophobicContact CE-CD2 3.76Å; M126-F129 HydrophobicContact CE-CG 4.48Å; M126-N136 HydrophobicContact CE-CB 3.6Å; M126-L139 HydrophobicContact CG-CB 3.76Å; M126-L139 HydrophobicContact CG-CD1 3.85Å; M126-L139 HydrophobicContact CG-CG 4.44Å; M126-L139 HydrophobicContact SD-CB 3.54Å; M126-L139 VanDerWaalsContact SD-CB 3.54Å; M126-L139 HydrophobicContact SD-CD1 4.48Å; M126-E143 WeakPolarHBondContact CG-OE1 3.36Å; M126-E143 PolarHBondContact N-OE1 3.18Å; M126-I335 HydrophobicContact CB-CD1 4.28Å; M126-I335 WeakPolarHBondContact O-CD1 3.44Å; M126-R345 PolarHBondContact O-NH1 3.09Å
127	E	84.6	Confident	86.3	Confident	104 Å²	104	59.1 Å²	59.1	49%	0.486	30%	0.3	S	S	.	.	S	Bend	trans	-90.7	-27.8	172	-68.5	-177.1	-173	0	0	112.5
128	E	88.4	Confident	86.6	Confident	85 Å²	85	59.8 Å²	59.8	40%	0.397	30%	0.303	S	S	.	.			trans	-146.7	154.7	-178.9	66.1	-178.4	-158	0	0	110.4	M126 K338	M126-E128 WeakPolarHBondContact CE-O 3.36Å; E128-K338 HydrophobicContact CB-CD 3.91Å; E128-K338 IonicContact OE2-NZ 3.88Å; E128-K338 PolarHBondContact OE2-NZ 2.86Å
129	F	89.8	Confident	86.7	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.013	30%	0.3	C	S	.	.			trans	-129	131.2	178.8	178	-98.9	0	0	0	110	V121 M126 P131 V194 I335 F339	V121-F129 HydrophobicContact CG2-CB 4.34Å; V121-F129 HydrophobicContact CG2-CD1 3.63Å; V121-F129 HydrophobicContact CG2-CD2 4.46Å; V121-F129 HydrophobicContact CG2-CE1 3.97Å; V121-F129 HydrophobicContact CG2-CG 3.9Å; M126-F129 HydrophobicContact CE-CB 4.21Å; M126-F129 HydrophobicContact CE-CD2 3.76Å; M126-F129 HydrophobicContact CE-CG 4.48Å; F129-P131 HydrophobicContact CE1-CB 4.18Å; F129-P131 HydrophobicContact CE1-CG 4.22Å; F129-P131 HydrophobicContact CZ-CB 3.98Å; F129-V194 HydrophobicContact CD1-CG2 4.21Å; F129-V194 HydrophobicContact CE1-CG2 4.06Å; F129-I335 HydrophobicContact CB-CG2 3.41Å; F129-I335 VanDerWaalsContact CB-CG2 3.41Å; F129-F339 HydrophobicContact CD1-CD2 4.37Å; F129-F339 HydrophobicContact CD1-CE2 4.5Å; F129-F339 WeakPolarHBondContact O-CD2 3.3Å
130	Q	90.8	Very high	86.7	Confident	81 Å²	81	57.5 Å²	57.5	38%	0.379	29%	0.286	S	S	.	.			trans	-147.6	111.5	173	-73.5	-60.7	-29.3	0	0	106.8	T132 N133 N136	Q130-T132 PolarHBondContact O-N 3.5Å; Q130-N133 HydrophobicContact CB-CB 4.11Å; Q130-N133 WeakPolarHBondContact O-CB 3.29Å; Q130-N133 PolarHBondContact O-N 3.39Å; Q130-N136 PolarHBondContact N-ND2 3.31Å; Q130-N136 WeakPolarHBondContact O-CB 3.31Å; Q130-N136 PolarHBondContact O-ND2 2.9Å
131	P	88.9	Confident	86.8	Confident	37 Å²	37	59.5 Å²	59.5	24%	0.24	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.3	-171.8	25.5	-33.5	0	0	0	113	V119 F129 N133 R137	V119-P131 HydrophobicContact CG1-CB 4.39Å; F129-P131 HydrophobicContact CE1-CB 4.18Å; F129-P131 HydrophobicContact CE1-CG 4.22Å; F129-P131 HydrophobicContact CZ-CB 3.98Å; P131-N133 VanDerWaalsContact C-N 3.29Å; P131-R137 WeakPolarHBondContact O-CD 3.3Å; P131-R137 VanDerWaalsContact O-CG 3.29Å; P131-R137 WeakPolarHBondContact O-CG 3.4Å
132	T	91.5	Very high	86.9	Confident	120 Å²	120	63.4 Å²	63.4	74%	0.736	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	174.2	52.9	0	0	0	0	112.5	Q130 F134	Q130-T132 PolarHBondContact O-N 3.5Å; T132-F134 PolarHBondContact O-N 3.11Å
133	N	91.8	Very high	87.3	Confident	66 Å²	66	63.4 Å²	63.4	35%	0.353	32%	0.323	S	S	.	.			trans	-78.5	123	-179.9	-175.6	-51.8	0	0	0	110.5	Q130 P131 K135 N136 R137	Q130-N133 HydrophobicContact CB-CB 4.11Å; Q130-N133 WeakPolarHBondContact O-CB 3.29Å; Q130-N133 PolarHBondContact O-N 3.39Å; P131-N133 VanDerWaalsContact C-N 3.29Å; N133-K135 PolarHBondContact O-N 2.97Å; N133-K135 WeakPolarHBondContact OD1-CA 3.31Å; N133-K135 VanDerWaalsContact OD1-CB 3.3Å; N133-K135 WeakPolarHBondContact OD1-CB 3.48Å; N133-K135 PolarHBondContact OD1-N 3.13Å; N133-N136 HydrophobicContact CB-CB 4.06Å; N133-N136 PolarHBondContact O-N 2.92Å; N133-N136 PolarHBondContact OD1-N 3.37Å; N133-R137 PolarHBondContact O-N 3.31Å; N133-R137 VanDerWaalsContact O-N 3.12Å
134	F	92.8	Very high	87.9	Confident	142 Å²	142	64.8 Å²	64.8	62%	0.623	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-42.5	-178.8	-179.8	-103.2	0	0	0	113.4	T132 N136 R137 V138	T132-F134 PolarHBondContact O-N 3.11Å; F134-N136 VanDerWaalsContact C-N 3.28Å; F134-N136 PolarHBondContact O-N 3.23Å; F134-R137 PolarHBondContact O-N 2.88Å; F134-R137 VanDerWaalsContact O-N 3.13Å; F134-V138 HydrophobicContact CD1-CG2 4.17Å; F134-V138 HydrophobicContact CE1-CG2 3.68Å; F134-V138 HydrophobicContact CE2-CG2 4.15Å; F134-V138 HydrophobicContact CZ-CG2 3.67Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 3.33Å
135	K	90.9	Very high	88.5	Confident	144 Å²	144	65.4 Å²	65.4	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-58.6	-43.4	177.2	-178.1	-175.5	175.7	-175	0	110.6	N133 R137 V138 L139	N133-K135 PolarHBondContact O-N 2.97Å; N133-K135 WeakPolarHBondContact OD1-CA 3.31Å; N133-K135 VanDerWaalsContact OD1-CB 3.3Å; N133-K135 WeakPolarHBondContact OD1-CB 3.48Å; N133-K135 PolarHBondContact OD1-N 3.13Å; K135-R137 VanDerWaalsContact C-N 3.33Å; K135-R137 PolarHBondContact O-N 3.31Å; K135-V138 PolarHBondContact O-N 3.32Å; K135-L139 HydrophobicContact CG-CD1 4.16Å; K135-L139 WeakPolarHBondContact O-CG 3.37Å; K135-L139 PolarHBondContact O-N 3.04Å
136	N	91.1	Very high	89.2	Confident	8 Å²	8	64 Å²	64	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-39.3	177.7	-71.6	-7	0	0	0	111.9	M126 Q130 N133 F134 L139 S140	M126-N136 HydrophobicContact CE-CB 3.6Å; Q130-N136 PolarHBondContact N-ND2 3.31Å; Q130-N136 WeakPolarHBondContact O-CB 3.31Å; Q130-N136 PolarHBondContact O-ND2 2.9Å; N133-N136 HydrophobicContact CB-CB 4.06Å; N133-N136 PolarHBondContact O-N 2.92Å; N133-N136 PolarHBondContact OD1-N 3.37Å; F134-N136 VanDerWaalsContact C-N 3.28Å; F134-N136 PolarHBondContact O-N 3.23Å; N136-L139 PolarHBondContact O-N 3.42Å; N136-S140 WeakPolarHBondContact O-CB 3.26Å; N136-S140 PolarHBondContact O-N 3.17Å; N136-S140 PolarHBondContact O-OG 3.45Å
137	R	91.1	Very high	89.3	Confident	104 Å²	104	64.9 Å²	64.9	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175	-68.6	-172.1	-75.2	153.2	-3.7	112.8	P131 N133 F134 K135 S140 A141	P131-R137 WeakPolarHBondContact O-CD 3.3Å; P131-R137 VanDerWaalsContact O-CG 3.29Å; P131-R137 WeakPolarHBondContact O-CG 3.4Å; N133-R137 PolarHBondContact O-N 3.31Å; N133-R137 VanDerWaalsContact O-N 3.12Å; F134-R137 PolarHBondContact O-N 2.88Å; F134-R137 VanDerWaalsContact O-N 3.13Å; K135-R137 VanDerWaalsContact C-N 3.33Å; K135-R137 PolarHBondContact O-N 3.31Å; R137-S140 PolarHBondContact O-N 2.95Å; R137-A141 PolarHBondContact O-N 2.75Å
138	V	90.1	Very high	89.2	Confident	60 Å²	60	62.3 Å²	62.3	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-47.5	176	173.2	0	0	0	0	110.6	F134 K135 S140 A141 I142	F134-V138 HydrophobicContact CD1-CG2 4.17Å; F134-V138 HydrophobicContact CE1-CG2 3.68Å; F134-V138 HydrophobicContact CE2-CG2 4.15Å; F134-V138 HydrophobicContact CZ-CG2 3.67Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 3.33Å; K135-V138 PolarHBondContact O-N 3.32Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.49Å; V138-A141 PolarHBondContact O-N 2.69Å; V138-I142 HydrophobicContact CG1-CD1 4.02Å; V138-I142 WeakPolarHBondContact O-CG1 3.37Å; V138-I142 PolarHBondContact O-N 3.08Å
139	L	89.6	Confident	89.2	Confident	42 Å²	42	62.9 Å²	62.9	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-42	177.1	-70	175.8	0	0	0	111.7	M126 K135 N136 A141 I142 E143	M126-L139 HydrophobicContact CG-CB 3.76Å; M126-L139 HydrophobicContact CG-CD1 3.85Å; M126-L139 HydrophobicContact CG-CG 4.44Å; M126-L139 HydrophobicContact SD-CB 3.54Å; M126-L139 VanDerWaalsContact SD-CB 3.54Å; M126-L139 HydrophobicContact SD-CD1 4.48Å; K135-L139 HydrophobicContact CG-CD1 4.16Å; K135-L139 WeakPolarHBondContact O-CG 3.37Å; K135-L139 PolarHBondContact O-N 3.04Å; N136-L139 PolarHBondContact O-N 3.42Å; L139-A141 VanDerWaalsContact C-N 3.27Å; L139-A141 PolarHBondContact O-N 3.03Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-E143 WeakPolarHBondContact O-CB 3.39Å; L139-E143 VanDerWaalsContact O-CG 3.31Å; L139-E143 WeakPolarHBondContact O-CG 3.39Å; L139-E143 PolarHBondContact O-N 3.26Å
140	S	89.6	Confident	89	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-36.7	177	-55.5	0	0	0	0	112.2	P117 N136 R137 V138 H144	P117-S140 WeakPolarHBondContact O-CB 3.42Å; N136-S140 WeakPolarHBondContact O-CB 3.26Å; N136-S140 PolarHBondContact O-N 3.17Å; N136-S140 PolarHBondContact O-OG 3.45Å; R137-S140 PolarHBondContact O-N 2.95Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.49Å; S140-H144 VanDerWaalsContact O-CB 3.28Å; S140-H144 WeakPolarHBondContact O-CB 3.41Å; S140-H144 PolarHBondContact O-N 3.09Å
141	A	88.2	Confident	88.6	Confident	46 Å²	46	64.1 Å²	64.1	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-43.7	175.4	0	0	0	0	0	112.4	R137 V138 L139 H144 V145	R137-A141 PolarHBondContact O-N 2.75Å; V138-A141 PolarHBondContact O-N 2.69Å; L139-A141 VanDerWaalsContact C-N 3.27Å; L139-A141 PolarHBondContact O-N 3.03Å; A141-H144 WeakPolarHBondContact O-CB 3.28Å; A141-H144 PolarHBondContact O-N 3.3Å; A141-V145 PolarHBondContact O-N 3.35Å
142	I	89.7	Confident	88.3	Confident	83 Å²	83	68.2 Å²	68.2	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-50	175.2	-67.5	168.2	0	0	0	110	V138 L139 H144 V145 L146	V138-I142 HydrophobicContact CG1-CD1 4.02Å; V138-I142 WeakPolarHBondContact O-CG1 3.37Å; V138-I142 PolarHBondContact O-N 3.08Å; L139-I142 PolarHBondContact O-N 3.31Å; I142-H144 VanDerWaalsContact C-N 3.26Å; I142-H144 PolarHBondContact O-N 3.33Å; I142-V145 WeakPolarHBondContact O-CB 3.44Å; I142-V145 PolarHBondContact O-N 3.32Å; I142-V145 VanDerWaalsContact O-N 3.11Å; I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 PolarHBondContact O-N 3.1Å
143	E	87.9	Confident	88	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-29.9	-179.2	-68.9	-167.5	-167.4	0	0	112.6	S122 L124 I125 M126 L139 V145 L146 E147	S122-E143 WeakPolarHBondContact CA-OE2 3.5Å; S122-E143 WeakPolarHBondContact CB-OE2 3.48Å; S122-E143 VanDerWaalsContact O-OE2 3.1Å; S122-E143 WeakPolarHBondContact OG-CB 3.49Å; S122-E143 PolarHBondContact OG-OE2 3.45Å; L124-E143 HydrophobicContact CB-CB 4.49Å; L124-E143 HydrophobicContact CB-CG 4Å; L124-E143 HydrophobicContact CD1-CB 4.24Å; L124-E143 PolarHBondContact N-OE2 2.85Å; I125-E143 VanDerWaalsContact CA-OE1 3.28Å; I125-E143 WeakPolarHBondContact CA-OE1 3.45Å; I125-E143 VanDerWaalsContact CB-OE1 3.26Å; I125-E143 WeakPolarHBondContact CB-OE1 3.43Å; I125-E143 HydrophobicContact CD1-CG 4.35Å; I125-E143 HydrophobicContact CG1-CG 4.31Å; I125-E143 PolarHBondContact N-OE1 2.84Å; M126-E143 WeakPolarHBondContact CG-OE1 3.36Å; M126-E143 PolarHBondContact N-OE1 3.18Å; L139-E143 WeakPolarHBondContact O-CB 3.39Å; L139-E143 VanDerWaalsContact O-CG 3.31Å; L139-E143 WeakPolarHBondContact O-CG 3.39Å; L139-E143 PolarHBondContact O-N 3.26Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.19Å; E143-L146 PolarHBondContact O-N 2.85Å; E143-E147 VanDerWaalsContact O-CB 3.23Å; E143-E147 WeakPolarHBondContact O-CB 3.2Å; E143-E147 PolarHBondContact O-N 3.38Å
144	H	87.1	Confident	87.6	Confident	55 Å²	55	65.7 Å²	65.7	26%	0.255	34%	0.338	S	S	.	.	H	α-helix	trans	-58.6	-44.1	171.9	177.1	62.8	0	0	0	111.6	P117 S140 A141 I142 E147 C148	P117-H144 HydrophobicContact CB-CB 4.23Å; S140-H144 VanDerWaalsContact O-CB 3.28Å; S140-H144 WeakPolarHBondContact O-CB 3.41Å; S140-H144 PolarHBondContact O-N 3.09Å; A141-H144 WeakPolarHBondContact O-CB 3.28Å; A141-H144 PolarHBondContact O-N 3.3Å; I142-H144 VanDerWaalsContact C-N 3.26Å; I142-H144 PolarHBondContact O-N 3.33Å; H144-E147 PolarHBondContact O-N 2.9Å; H144-C148 PolarHBondContact O-N 2.87Å; H144-C148 PolarHBondContact O-SG 3.21Å; H144-C148 VanDerWaalsContact O-SG 3.41Å
145	V	87.8	Confident	86.9	Confident	86 Å²	86	60.9 Å²	60.9	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176	178	0	0	0	0	110.7	A141 I142 E143 E147 C148 I149	A141-V145 PolarHBondContact O-N 3.35Å; I142-V145 WeakPolarHBondContact O-CB 3.44Å; I142-V145 PolarHBondContact O-N 3.32Å; I142-V145 VanDerWaalsContact O-N 3.11Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.19Å; V145-E147 PolarHBondContact O-N 2.96Å; V145-C148 WeakPolarHBondContact O-CB 3.24Å; V145-C148 PolarHBondContact O-N 3.36Å; V145-I149 HydrophobicContact CG1-CD1 4.05Å; V145-I149 WeakPolarHBondContact O-CG1 3.2Å; V145-I149 PolarHBondContact O-N 3.41Å
146	L	88.6	Confident	86.5	Confident	73 Å²	73	56.4 Å²	56.4	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-41.1	178.4	-65.7	176.1	0	0	0	112.4	L124 I125 I142 E143 I149 L150	L124-L146 HydrophobicContact CD1-CB 3.56Å; L124-L146 HydrophobicContact CD1-CD1 4.48Å; I125-L146 HydrophobicContact CD1-CD1 4.14Å; I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 PolarHBondContact O-N 3.1Å; E143-L146 PolarHBondContact O-N 2.85Å; L146-I149 PolarHBondContact O-N 3.47Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.45Å
147	E	84.8	Confident	86.1	Confident	23 Å²	23	59.1 Å²	59.1	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-42.9	175.7	-175.2	-175.5	170.1	0	0	110.8	K105 L124 E143 H144 V145 I149 L150 L151	K105-E147 WeakPolarHBondContact CD-OE2 3.45Å; K105-E147 WeakPolarHBondContact CE-OE2 3.47Å; K105-E147 IonicContact NZ-OE2 3.82Å; K105-E147 PolarHBondContact NZ-OE2 3.34Å; L124-E147 HydrophobicContact CD1-CB 4.29Å; E143-E147 VanDerWaalsContact O-CB 3.23Å; E143-E147 WeakPolarHBondContact O-CB 3.2Å; E143-E147 PolarHBondContact O-N 3.38Å; H144-E147 PolarHBondContact O-N 2.9Å; V145-E147 PolarHBondContact O-N 2.96Å; E147-I149 VanDerWaalsContact C-N 3.33Å; E147-I149 PolarHBondContact O-N 3.07Å; E147-L150 PolarHBondContact O-N 2.87Å; E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.22Å; E147-L151 WeakPolarHBondContact O-CB 3.28Å; E147-L151 VanDerWaalsContact O-CG 3.28Å; E147-L151 WeakPolarHBondContact O-CG 3.14Å; E147-L151 PolarHBondContact O-N 3.26Å
148	C	84	Confident	85.5	Confident	49 Å²	49	56.5 Å²	56.5	33%	0.331	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-44.2	173.7	-76.4	0	0	0	0	111.9	H144 V145 F152	H144-C148 PolarHBondContact O-N 2.87Å; H144-C148 PolarHBondContact O-SG 3.21Å; H144-C148 VanDerWaalsContact O-SG 3.41Å; V145-C148 WeakPolarHBondContact O-CB 3.24Å; V145-C148 PolarHBondContact O-N 3.36Å; C148-F152 WeakPolarHBondContact O-CB 3.33Å; C148-F152 PolarHBondContact O-N 3.12Å
149	I	87.7	Confident	84.9	Confident	97 Å²	97	54.5 Å²	54.5	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-45.6	177.5	-66.4	166	0	0	0	110.8	V145 L146 E147 F152 S153	V145-I149 HydrophobicContact CG1-CD1 4.05Å; V145-I149 WeakPolarHBondContact O-CG1 3.2Å; V145-I149 PolarHBondContact O-N 3.41Å; L146-I149 PolarHBondContact O-N 3.47Å; E147-I149 VanDerWaalsContact C-N 3.33Å; E147-I149 PolarHBondContact O-N 3.07Å; I149-F152 PolarHBondContact O-N 3.22Å; I149-S153 WeakPolarHBondContact O-CB 3.42Å; I149-S153 PolarHBondContact O-N 3.45Å; I149-S153 PolarHBondContact O-OG 3.31Å
150	L	86.2	Confident	84.5	Confident	81 Å²	81	57.1 Å²	57.1	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-49	179.6	175.6	62.1	0	0	0	111.3	L124 L146 E147 F152 S153 L154	L124-L150 HydrophobicContact CD2-CD2 4.16Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.45Å; E147-L150 PolarHBondContact O-N 2.87Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.17Å; L150-S153 PolarHBondContact O-N 2.95Å; L150-L154 HydrophobicContact CD1-CD1 4.08Å; L150-L154 HydrophobicContact CD1-CG 4.3Å; L150-L154 HydrophobicContact CG-CD1 3.98Å; L150-L154 WeakPolarHBondContact O-CB 3.49Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 2.8Å
151	L	81.6	Confident	83.9	Confident	29 Å²	29	59.5 Å²	59.5	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-36.8	179.7	-69	177.1	0	0	0	111.9	H106 E147 L154 S155	H106-L151 WeakPolarHBondContact ND1-CD1 3.35Å; E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.22Å; E147-L151 WeakPolarHBondContact O-CB 3.28Å; E147-L151 VanDerWaalsContact O-CG 3.28Å; E147-L151 WeakPolarHBondContact O-CG 3.14Å; E147-L151 PolarHBondContact O-N 3.26Å; L151-L154 HydrophobicContact CD2-CD1 4.37Å; L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.07Å; L151-S155 PolarHBondContact O-N 3.43Å; L151-S155 PolarHBondContact O-OG 2.78Å
152	F	82.4	Confident	83.2	Confident	124 Å²	124	58 Å²	58	54%	0.544	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-47	171	177.9	-101.8	0	0	0	110.7	C148 I149 L150 L154 S155 V156	C148-F152 WeakPolarHBondContact O-CB 3.33Å; C148-F152 PolarHBondContact O-N 3.12Å; I149-F152 PolarHBondContact O-N 3.22Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.17Å; F152-L154 PolarHBondContact O-N 2.91Å; F152-S155 WeakPolarHBondContact O-CB 3.24Å; F152-S155 PolarHBondContact O-N 3.12Å; F152-V156 HydrophobicContact CD1-CG2 4.26Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.86Å; F152-V156 HydrophobicContact CE2-CG2 4.05Å; F152-V156 HydrophobicContact CZ-CG2 3.74Å; F152-V156 WeakPolarHBondContact O-CG2 3.3Å; F152-V156 PolarHBondContact O-N 2.78Å
153	S	85.6	Confident	82.5	Confident	63 Å²	63	57.7 Å²	57.7	44%	0.441	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-42.4	-179.9	-56.6	0	0	0	0	112.2	I149 L150 V156 A157	I149-S153 WeakPolarHBondContact O-CB 3.42Å; I149-S153 PolarHBondContact O-N 3.45Å; I149-S153 PolarHBondContact O-OG 3.31Å; L150-S153 PolarHBondContact O-N 2.95Å; S153-V156 PolarHBondContact O-N 2.81Å; S153-A157 WeakPolarHBondContact O-CB 3.37Å; S153-A157 PolarHBondContact O-N 3.38Å
154	L	82.9	Confident	81.5	Confident	69 Å²	69	61.5 Å²	61.5	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-45.2	173.4	-78.1	166.5	0	0	0	111.4	L150 L151 F152 V156 A157 M158	L150-L154 HydrophobicContact CD1-CD1 4.08Å; L150-L154 HydrophobicContact CD1-CG 4.3Å; L150-L154 HydrophobicContact CG-CD1 3.98Å; L150-L154 WeakPolarHBondContact O-CB 3.49Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 2.8Å; L151-L154 HydrophobicContact CD2-CD1 4.37Å; F152-L154 PolarHBondContact O-N 2.91Å; L154-V156 PolarHBondContact O-N 2.99Å; L154-A157 PolarHBondContact O-N 2.88Å; L154-M158 WeakPolarHBondContact O-CB 3.37Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.36Å
155	S	79.3	Confident	80.5	Confident	41 Å²	41	62.6 Å²	62.6	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-47.9	177.4	-59.2	0	0	0	0	110.3	L151 F152 M158 T159	L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.07Å; L151-S155 PolarHBondContact O-N 3.43Å; L151-S155 PolarHBondContact O-OG 2.78Å; F152-S155 WeakPolarHBondContact O-CB 3.24Å; F152-S155 PolarHBondContact O-N 3.12Å; S155-M158 PolarHBondContact O-N 2.78Å; S155-T159 VanDerWaalsContact O-CB 3.29Å; S155-T159 WeakPolarHBondContact O-CB 3.35Å; S155-T159 WeakPolarHBondContact O-CG2 3.26Å; S155-T159 PolarHBondContact O-N 3.46Å; S155-T159 PolarHBondContact O-OG1 3.36Å
156	V	81.2	Confident	79.1	Confident	50 Å²	50	63.8 Å²	63.8	30%	0.303	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-54.4	174.8	172.2	0	0	0	0	110.2	F152 S153 L154 M158 T159 M160	F152-V156 HydrophobicContact CD1-CG2 4.26Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.86Å; F152-V156 HydrophobicContact CE2-CG2 4.05Å; F152-V156 HydrophobicContact CZ-CG2 3.74Å; F152-V156 WeakPolarHBondContact O-CG2 3.3Å; F152-V156 PolarHBondContact O-N 2.78Å; S153-V156 PolarHBondContact O-N 2.81Å; L154-V156 PolarHBondContact O-N 2.99Å; V156-M158 PolarHBondContact O-N 3.03Å; V156-M158 VanDerWaalsContact O-N 3.13Å; V156-T159 WeakPolarHBondContact CA-OG1 3.28Å; V156-T159 PolarHBondContact O-N 3.29Å; V156-T159 PolarHBondContact O-OG1 3.12Å; V156-M160 HydrophobicContact CG1-CG 3.65Å; V156-M160 HydrophobicContact CG1-SD 4.27Å; V156-M160 WeakPolarHBondContact O-CB 3.37Å; V156-M160 WeakPolarHBondContact O-CG 3.36Å; V156-M160 PolarHBondContact O-N 3.37Å
157	A	83.9	Confident	77.6	Confident	65 Å²	65	61 Å²	61	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-54.1	-39.1	-178.3	0	0	0	0	0	113.2	S153 L154 P161	S153-A157 WeakPolarHBondContact O-CB 3.37Å; S153-A157 PolarHBondContact O-N 3.38Å; L154-A157 PolarHBondContact O-N 2.88Å; A157-P161 VanDerWaalsContact O-CD 3.26Å; A157-P161 WeakPolarHBondContact O-CD 3.43Å
158	M	78.6	Confident	76.8	Confident	50 Å²	50	65.6 Å²	65.6	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-81.2	-28.9	179	-67.7	-169.8	-59.7	0	0	114.3	L79 P81 L154 S155 V156 W162	L79-M158 WeakPolarHBondContact CA-SD 3.44Å; L79-M158 HydrophobicContact CB-CE 4.29Å; L79-M158 HydrophobicContact CB-SD 3.66Å; L79-M158 HydrophobicContact CD2-CE 3.65Å; L79-M158 HydrophobicContact CD2-SD 3.25Å; L79-M158 WeakPolarHBondContact CD2-SD 3.46Å; L79-M158 HydrophobicContact CG-CE 4.46Å; L79-M158 HydrophobicContact CG-SD 4.01Å; P81-M158 HydrophobicContact CG-CB 4.41Å; L154-M158 WeakPolarHBondContact O-CB 3.37Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.36Å; S155-M158 PolarHBondContact O-N 2.78Å; V156-M158 PolarHBondContact O-N 3.03Å; V156-M158 VanDerWaalsContact O-N 3.13Å; M158-W162 VanDerWaalsContact O-CD1 3.26Å
159	T	77.2	Confident	76.3	Confident	17 Å²	17	63.6 Å²	63.6	10%	0.104	37%	0.367	C	S	.	.	H	α-helix	trans	-86.2	-23.7	179.2	56.7	0	0	0	0	112.6	P81 S155 V156 W162 L163 L169 V174	P81-T159 HydrophobicContact CB-CG2 4.38Å; S155-T159 VanDerWaalsContact O-CB 3.29Å; S155-T159 WeakPolarHBondContact O-CB 3.35Å; S155-T159 WeakPolarHBondContact O-CG2 3.26Å; S155-T159 PolarHBondContact O-N 3.46Å; S155-T159 PolarHBondContact O-OG1 3.36Å; V156-T159 WeakPolarHBondContact CA-OG1 3.28Å; V156-T159 PolarHBondContact O-N 3.29Å; V156-T159 PolarHBondContact O-OG1 3.12Å; T159-W162 WeakPolarHBondContact O-CA 3.35Å; T159-W162 VanDerWaalsContact O-CB 3.32Å; T159-W162 WeakPolarHBondContact O-CB 3.37Å; T159-W162 PolarHBondContact O-N 2.96Å; T159-L163 PolarHBondContact O-N 2.91Å; T159-L169 VanDerWaalsContact CB-CD2 3.45Å; T159-L169 HydrophobicContact CG2-CD1 4.42Å; T159-L169 HydrophobicContact CG2-CD2 3.3Å; T159-L169 HydrophobicContact CG2-CG 3.95Å; T159-V174 HydrophobicContact CG2-CG2 4.43Å
160	M	79.5	Confident	75.6	Confident	98 Å²	98	60.8 Å²	60.8	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-44.1	-178.9	-81	-59.2	-66.5	0	0	114.1	V156 W162 L163 A164	V156-M160 HydrophobicContact CG1-CG 3.65Å; V156-M160 HydrophobicContact CG1-SD 4.27Å; V156-M160 WeakPolarHBondContact O-CB 3.37Å; V156-M160 WeakPolarHBondContact O-CG 3.36Å; V156-M160 PolarHBondContact O-N 3.37Å; M160-W162 PolarHBondContact O-N 2.83Å; M160-L163 PolarHBondContact O-N 3.26Å; M160-L163 HydrophobicContact SD-CD1 4.04Å; M160-A164 WeakPolarHBondContact O-CB 3.48Å; M160-A164 PolarHBondContact O-N 3.08Å
161	P	77.2	Confident	75	Confident	51 Å²	51	62.6 Å²	62.6	33%	0.331	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-33.5	174.3	-25.6	35.2	0	0	0	113.4	A157 Q165	A157-P161 VanDerWaalsContact O-CD 3.26Å; A157-P161 WeakPolarHBondContact O-CD 3.43Å; P161-Q165 WeakPolarHBondContact O-CG 3.49Å; P161-Q165 PolarHBondContact O-N 3.24Å
162	W	75.1	Confident	74.9	Confident	13 Å²	13	67.9 Å²	67.9	5%	0.049	39%	0.389	C	S	.	.	H	α-helix	trans	-70.7	-47.4	177	-67.9	73.5	0	0	0	110.9	Q58 P81 C82 V85 M158 T159 M160 A164 Q165 A167 L169	Q58-W162 HydrophobicContact CB-CD2 3.81Å; Q58-W162 HydrophobicContact CB-CE3 4.09Å; Q58-W162 HydrophobicContact CB-CG 4.26Å; Q58-W162 HydrophobicContact CB-CH2 4.08Å; Q58-W162 HydrophobicContact CB-CZ2 3.85Å; Q58-W162 HydrophobicContact CB-CZ3 4.24Å; Q58-W162 HydrophobicContact CG-CD2 3.89Å; Q58-W162 VanDerWaalsContact CG-CE2 3.42Å; Q58-W162 HydrophobicContact CG-CG 4.07Å; Q58-W162 HydrophobicContact CG-CH2 4.46Å; Q58-W162 HydrophobicContact CG-CZ2 3.73Å; P81-W162 HydrophobicContact CB-CD2 4.34Å; P81-W162 HydrophobicContact CB-CG 4.24Å; P81-W162 HydrophobicContact CG-CZ2 4.47Å; C82-W162 VanDerWaalsContact CA-CH2 3.48Å; C82-W162 HydrophobicContact CB-CH2 3.27Å; C82-W162 HydrophobicContact CB-CZ2 3.47Å; C82-W162 VanDerWaalsContact CB-CZ2 3.47Å; C82-W162 HydrophobicContact CB-CZ3 4.14Å; C82-W162 VanDerWaalsContact SG-CH2 3.52Å; V85-W162 HydrophobicContact CG2-CE3 3.95Å; V85-W162 HydrophobicContact CG2-CZ3 4.42Å; M158-W162 VanDerWaalsContact O-CD1 3.26Å; T159-W162 WeakPolarHBondContact O-CA 3.35Å; T159-W162 VanDerWaalsContact O-CB 3.32Å; T159-W162 WeakPolarHBondContact O-CB 3.37Å; T159-W162 PolarHBondContact O-N 2.96Å; M160-W162 PolarHBondContact O-N 2.83Å; W162-A164 PolarHBondContact O-N 2.82Å; W162-Q165 PolarHBondContact O-N 2.85Å; W162-A167 HydrophobicContact CB-CB 4.14Å; W162-A167 HydrophobicContact CE3-CB 3.9Å; W162-A167 WeakPolarHBondContact O-CA 3.41Å; W162-A167 WeakPolarHBondContact O-CB 3.4Å; W162-A167 PolarHBondContact O-N 2.9Å; W162-L169 HydrophobicContact CB-CB 4.25Å; W162-L169 HydrophobicContact CB-CD2 3.73Å; W162-L169 HydrophobicContact CG-CD2 4.05Å
163	L	73.2	Confident	75	Confident	77 Å²	77	63.6 Å²	63.6	40%	0.403	37%	0.371	S	S	.	.	H	α-helix	trans	-57.2	-47.5	175	-78.6	163.5	0	0	0	112.1	T159 M160 Q165 S166 L169	T159-L163 PolarHBondContact O-N 2.91Å; M160-L163 PolarHBondContact O-N 3.26Å; M160-L163 HydrophobicContact SD-CD1 4.04Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 3.05Å; L163-S166 PolarHBondContact O-N 2.84Å; L163-S166 VanDerWaalsContact O-N 3.15Å; L163-L169 WeakPolarHBondContact CD2-O 3.29Å
164	A	67.7	Low	74.9	Confident	80 Å²	80	61.7 Å²	61.7	66%	0.661	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-26.5	-176.1	0	0	0	0	0	113.6	M160 W162 S166	M160-A164 WeakPolarHBondContact O-CB 3.48Å; M160-A164 PolarHBondContact O-N 3.08Å; W162-A164 PolarHBondContact O-N 2.82Å; A164-S166 VanDerWaalsContact C-N 3.29Å
165	Q	67.1	Low	74.9	Confident	78 Å²	78	60.9 Å²	60.9	36%	0.364	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	16	177.1	-67.9	179	19	0	0	113.3	Q58 P161 W162 L163 A167	Q58-Q165 VanDerWaalsContact OE1-CD 3.24Å; Q58-Q165 VanDerWaalsContact OE1-OE1 3.11Å; P161-Q165 WeakPolarHBondContact O-CG 3.49Å; P161-Q165 PolarHBondContact O-N 3.24Å; W162-Q165 PolarHBondContact O-N 2.85Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 3.05Å; Q165-A167 PolarHBondContact O-N 3.38Å
166	S	57.7	Low	75.4	Confident	111 Å²	111	62 Å²	62	78%	0.776	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	26.7	-176.7	-46.6	0	0	0	0	113.8	L163 A164	L163-S166 PolarHBondContact O-N 2.84Å; L163-S166 VanDerWaalsContact O-N 3.15Å; A164-S166 VanDerWaalsContact C-N 3.29Å
167	A	57.8	Low	75.9	Confident	14 Å²	14	59.6 Å²	59.6	12%	0.116	34%	0.341	C	S	.	.			trans	-76.9	141.7	168.8	0	0	0	0	0	109.4	W162 Q165 L169	W162-A167 HydrophobicContact CB-CB 4.14Å; W162-A167 HydrophobicContact CE3-CB 3.9Å; W162-A167 WeakPolarHBondContact O-CA 3.41Å; W162-A167 WeakPolarHBondContact O-CB 3.4Å; W162-A167 PolarHBondContact O-N 2.9Å; Q165-A167 PolarHBondContact O-N 3.38Å; A167-L169 PolarHBondContact O-N 3Å
168	M	66.3	Low	76.3	Confident	121 Å²	121	56.7 Å²	56.7	60%	0.596	32%	0.316	S	S	*	.	S	Bend	trans	-69.7	45.6	-171.4	-63.5	-170.8	159.5	0	0	114.2	N89 H173	N89-M168 PolarHBondContact ND2-O 3.24Å; N89-M168 VanDerWaalsContact ND2-O 3.13Å; M168-H173 PolarHBondContact O-CE1 3.45Å; M168-H173 PolarHBondContact O-ND1 2.88Å; M168-H173 PolarHBondContact O-NE2 3.46Å
169	L	73.5	Confident	76.8	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	31%	0.31	C	S	.	.			trans	-99.1	137.2	177.3	-167.3	46.5	0	0	0	108.4	P81 I84 V85 T159 W162 L163 A167 H173 V174	P81-L169 HydrophobicContact CB-CD2 4.02Å; I84-L169 HydrophobicContact CG2-CD1 3.88Å; V85-L169 HydrophobicContact CG2-CB 3.68Å; V85-L169 HydrophobicContact CG2-CD1 3.61Å; V85-L169 HydrophobicContact CG2-CD2 3.82Å; V85-L169 HydrophobicContact CG2-CG 3.89Å; T159-L169 VanDerWaalsContact CB-CD2 3.45Å; T159-L169 HydrophobicContact CG2-CD1 4.42Å; T159-L169 HydrophobicContact CG2-CD2 3.3Å; T159-L169 HydrophobicContact CG2-CG 3.95Å; W162-L169 HydrophobicContact CB-CB 4.25Å; W162-L169 HydrophobicContact CB-CD2 3.73Å; W162-L169 HydrophobicContact CG-CD2 4.05Å; L163-L169 WeakPolarHBondContact CD2-O 3.29Å; A167-L169 PolarHBondContact O-N 3Å; L169-H173 HydrophobicContact CD1-CB 3.98Å; L169-V174 HydrophobicContact CD1-CG2 4.43Å
170	S	74.3	Confident	77.5	Confident	38 Å²	38	57.1 Å²	57.1	27%	0.266	32%	0.319	S	S	.	.			trans	-145.1	169.8	171.9	77.3	0	0	0	0	108.2	E172 H173 V174	S170-E172 PolarHBondContact O-N 3.46Å; S170-E172 PolarHBondContact OG-N 2.91Å; S170-H173 WeakPolarHBondContact CB-ND1 3.33Å; S170-H173 PolarHBondContact N-ND1 3.3Å; S170-H173 WeakPolarHBondContact O-CB 3.17Å; S170-H173 PolarHBondContact O-N 2.97Å; S170-H173 VanDerWaalsContact O-N 3.13Å; S170-H173 PolarHBondContact OG-CE1 2.69Å; S170-H173 PolarHBondContact OG-N 2.95Å; S170-H173 PolarHBondContact OG-ND1 3.3Å; S170-V174 PolarHBondContact O-N 3.22Å
171	I	73.4	Confident	78.2	Confident	119 Å²	119	52.5 Å²	52.5	61%	0.61	30%	0.296	S	S	*	.	H	α-helix	trans	-59	-34.9	174.6	-67.1	169.5	0	0	0	110.9	H173 V174 N175	I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 3.43Å; I171-V174 PolarHBondContact O-N 3.02Å; I171-N175 PolarHBondContact O-N 3.22Å; I171-N175 VanDerWaalsContact O-N 3.14Å
172	E	80.1	Confident	79	Confident	139 Å²	139	50.3 Å²	50.3	65%	0.65	28%	0.282	S	S	*	.	H	α-helix	trans	-60.5	-43.5	176.1	-65.8	177.6	165.4	0	0	111.1	S170 V174 N175 D176	S170-E172 PolarHBondContact O-N 3.46Å; S170-E172 PolarHBondContact OG-N 2.91Å; E172-V174 VanDerWaalsContact C-N 3.28Å; E172-V174 PolarHBondContact O-N 3.38Å; E172-N175 PolarHBondContact O-N 3.05Å; E172-N175 VanDerWaalsContact O-N 3.17Å; E172-D176 VanDerWaalsContact O-CB 3.22Å; E172-D176 WeakPolarHBondContact O-CB 3.43Å; E172-D176 VanDerWaalsContact O-CG 3.25Å; E172-D176 PolarHBondContact O-N 2.8Å
173	H	84.1	Confident	80	Confident	35 Å²	35	49.7 Å²	49.7	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-36.5	176.5	-62.4	94	0	0	0	112.4	I84 T88 N89 M168 L169 S170 I171 F177	I84-H173 HydrophobicContact CG2-CB 4.38Å; T88-H173 HydrophobicContact CG2-CB 4.44Å; T88-H173 WeakPolarHBondContact CG2-O 3.24Å; T88-H173 PolarHBondContact OG1-CD2 3.42Å; N89-H173 PolarHBondContact OD1-NE2 3.36Å; M168-H173 PolarHBondContact O-CE1 3.45Å; M168-H173 PolarHBondContact O-ND1 2.88Å; M168-H173 PolarHBondContact O-NE2 3.46Å; L169-H173 HydrophobicContact CD1-CB 3.98Å; S170-H173 WeakPolarHBondContact CB-ND1 3.33Å; S170-H173 PolarHBondContact N-ND1 3.3Å; S170-H173 WeakPolarHBondContact O-CB 3.17Å; S170-H173 PolarHBondContact O-N 2.97Å; S170-H173 VanDerWaalsContact O-N 3.13Å; S170-H173 PolarHBondContact OG-CE1 2.69Å; S170-H173 PolarHBondContact OG-N 2.95Å; S170-H173 PolarHBondContact OG-ND1 3.3Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 3.43Å; H173-F177 VanDerWaalsContact O-CB 3.27Å; H173-F177 WeakPolarHBondContact O-CB 3.34Å; H173-F177 PolarHBondContact O-N 2.84Å
174	V	81.9	Confident	81	Confident	23 Å²	23	46 Å²	46	14%	0.139	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-44.8	176.8	-179.9	0	0	0	0	110.9	I84 T159 L169 S170 I171 E172 F177 H178	I84-V174 HydrophobicContact CG2-CG2 4.39Å; T159-V174 HydrophobicContact CG2-CG2 4.43Å; L169-V174 HydrophobicContact CD1-CG2 4.43Å; S170-V174 PolarHBondContact O-N 3.22Å; I171-V174 PolarHBondContact O-N 3.02Å; E172-V174 VanDerWaalsContact C-N 3.28Å; E172-V174 PolarHBondContact O-N 3.38Å; V174-F177 WeakPolarHBondContact O-CB 3Å; V174-F177 PolarHBondContact O-N 3.32Å; V174-H178 PolarHBondContact O-CD2 2.85Å
175	N	84.9	Confident	82.2	Confident	51 Å²	51	42.3 Å²	42.3	27%	0.273	23%	0.23	S	C	.	.	H	α-helix	trans	-67.8	-42.7	178	-67.1	-11.8	0	0	0	111.5	Y110 I171 E172 F177 H178 T179	Y110-N175 HydrophobicContact CE1-CB 4.28Å; Y110-N175 WeakPolarHBondContact CE1-OD1 3.29Å; Y110-N175 PolarHBondContact OH-OD1 3.4Å; I171-N175 PolarHBondContact O-N 3.22Å; I171-N175 VanDerWaalsContact O-N 3.14Å; E172-N175 PolarHBondContact O-N 3.05Å; E172-N175 VanDerWaalsContact O-N 3.17Å; N175-F177 VanDerWaalsContact C-N 3.29Å; N175-F177 PolarHBondContact O-N 3.46Å; N175-H178 PolarHBondContact O-N 2.73Å; N175-T179 WeakPolarHBondContact O-CB 3.47Å; N175-T179 VanDerWaalsContact O-CG2 3.26Å; N175-T179 WeakPolarHBondContact O-CG2 3.23Å; N175-T179 PolarHBondContact O-N 3.48Å; N175-T179 PolarHBondContact O-OG1 2.98Å
176	D	88.8	Confident	83.4	Confident	65 Å²	65	38.6 Å²	38.6	35%	0.348	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-39.4	178.5	-78.2	-11.5	0	0	0	111.1	T88 W95 E172 H178 T179 N180	T88-D176 HydrophobicContact CG2-CB 4.13Å; W95-D176 WeakPolarHBondContact CZ2-O 2.97Å; E172-D176 VanDerWaalsContact O-CB 3.22Å; E172-D176 WeakPolarHBondContact O-CB 3.43Å; E172-D176 VanDerWaalsContact O-CG 3.25Å; E172-D176 PolarHBondContact O-N 2.8Å; D176-H178 VanDerWaalsContact C-N 3.3Å; D176-H178 PolarHBondContact O-N 2.8Å; D176-T179 VanDerWaalsContact CA-OG1 3.3Å; D176-T179 WeakPolarHBondContact CA-OG1 3.44Å; D176-T179 PolarHBondContact O-N 3.5Å; D176-T179 PolarHBondContact O-OG1 3.31Å; D176-N180 WeakPolarHBondContact O-CA 3.43Å; D176-N180 VanDerWaalsContact O-CB 3.26Å; D176-N180 WeakPolarHBondContact O-CB 3.29Å; D176-N180 PolarHBondContact O-N 3.18Å
177	F	91.3	Very high	84.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-53.1	-48.3	176.1	173	-107	0	0	0	111.9	V75 N77 I84 S87 T88 W95 D97 H173 V174 N175 A181	V75-F177 HydrophobicContact CB-CE2 3.69Å; V75-F177 HydrophobicContact CB-CZ 3.74Å; V75-F177 HydrophobicContact CG1-CE2 3.8Å; V75-F177 HydrophobicContact CG1-CZ 3.73Å; V75-F177 HydrophobicContact CG2-CE2 4.2Å; N77-F177 HydrophobicContact CB-CE1 4.07Å; I84-F177 HydrophobicContact CB-CG 4.45Å; I84-F177 HydrophobicContact CD1-CD1 4.4Å; I84-F177 HydrophobicContact CG1-CB 4.3Å; I84-F177 HydrophobicContact CG1-CD1 3.89Å; I84-F177 HydrophobicContact CG1-CD2 4.18Å; I84-F177 HydrophobicContact CG1-CE1 4.25Å; I84-F177 HydrophobicContact CG1-CG 3.85Å; I84-F177 HydrophobicContact CG2-CB 4.03Å; I84-F177 HydrophobicContact CG2-CG 4.44Å; S87-F177 VanDerWaalsContact OG-CD2 3.23Å; S87-F177 WeakPolarHBondContact OG-CD2 3.3Å; T88-F177 HydrophobicContact CG2-CB 4.02Å; W95-F177 AromaticContact CD1-CD2 3.66Å; W95-F177 AromaticContact CD1-CE2 3.57Å; W95-F177 AromaticContact NE1-CD2 3.47Å; W95-F177 AromaticContact NE1-CE2 3.87Å; W95-F177 PolarHBondContact NE1-O 2.85Å; D97-F177 HydrophobicContact CB-CE1 4.24Å; D97-F177 HydrophobicContact CB-CZ 4.19Å; H173-F177 VanDerWaalsContact O-CB 3.27Å; H173-F177 WeakPolarHBondContact O-CB 3.34Å; H173-F177 PolarHBondContact O-N 2.84Å; V174-F177 WeakPolarHBondContact O-CB 3Å; V174-F177 PolarHBondContact O-N 3.32Å; N175-F177 VanDerWaalsContact C-N 3.29Å; N175-F177 PolarHBondContact O-N 3.46Å; F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 3.33Å
178	H	91.8	Very high	85.9	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-76.6	-47.9	178.6	-60.4	-65.3	0	0	0	112.3	D97 H106 Y110 R111 V174 N175 D176 N180	D97-H178 IonicContact OD1-ND1 2.76Å; D97-H178 IonicContact OD2-CE1 3.73Å; D97-H178 IonicContact OD2-CG 3.97Å; D97-H178 IonicContact OD2-ND1 2.62Å; D97-H178 PolarHBondContact OD2-ND1 2.78Å; H106-H178 AromaticContact CD2-NE2 3.91Å; H106-H178 AromaticContact NE2-CE1 3.93Å; H106-H178 AromaticContact NE2-NE2 3.7Å; Y110-H178 HydrophobicContact CD2-CB 3.96Å; Y110-H178 AromaticContact CD2-CD2 3.77Å; Y110-H178 HydrophobicContact CG-CB 4.05Å; R111-H178 WeakPolarHBondContact CD-O 3.3Å; R111-H178 PolarHBondContact NH1-O 3.49Å; V174-H178 PolarHBondContact O-CD2 2.85Å; N175-H178 PolarHBondContact O-N 2.73Å; D176-H178 VanDerWaalsContact C-N 3.3Å; D176-H178 PolarHBondContact O-N 2.8Å; H178-N180 PolarHBondContact O-N 2.89Å
179	T	91	Very high	86.8	Confident	20 Å²	20	27.6 Å²	27.6	12%	0.123	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-36.5	-173.8	55.9	0	0	0	0	112.5	Y110 R111 N175 D176 I413	Y110-T179 HydrophobicContact CD1-CG2 4.12Å; Y110-T179 HydrophobicContact CG-CG2 4.42Å; R111-T179 PolarHBondContact NH1-O 3.33Å; N175-T179 WeakPolarHBondContact O-CB 3.47Å; N175-T179 VanDerWaalsContact O-CG2 3.26Å; N175-T179 WeakPolarHBondContact O-CG2 3.23Å; N175-T179 PolarHBondContact O-N 3.48Å; N175-T179 PolarHBondContact O-OG1 2.98Å; D176-T179 VanDerWaalsContact CA-OG1 3.3Å; D176-T179 WeakPolarHBondContact CA-OG1 3.44Å; D176-T179 PolarHBondContact O-N 3.5Å; D176-T179 PolarHBondContact O-OG1 3.31Å; T179-I413 HydrophobicContact CG2-CG2 3.97Å
180	N	91.1	Very high	87.4	Confident	56 Å²	56	29.7 Å²	29.7	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-97.7	-3.7	-176.5	-68.6	-51.9	0	0	0	114.8	W95 D176 H178 V182 R409	W95-N180 HydrophobicContact CH2-CB 3.57Å; W95-N180 HydrophobicContact CZ2-CB 3.53Å; D176-N180 WeakPolarHBondContact O-CA 3.43Å; D176-N180 VanDerWaalsContact O-CB 3.26Å; D176-N180 WeakPolarHBondContact O-CB 3.29Å; D176-N180 PolarHBondContact O-N 3.18Å; H178-N180 PolarHBondContact O-N 2.89Å; N180-V182 PolarHBondContact O-N 3.36Å; N180-R409 PolarHBondContact O-NH2 3.49Å; N180-R409 PolarHBondContact OD1-NH1 3.09Å; N180-R409 VanDerWaalsContact OD1-NH1 3.13Å
181	A	94	Very high	88.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-53.4	143.3	171.2	0	0	0	0	0	111.8	D97 R111 F177	D97-A181 HydrophobicContact CB-CB 3.57Å; R111-A181 PolarHBondContact NH1-O 3.09Å; R111-A181 PolarHBondContact NH2-O 3.45Å; F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 3.33Å
182	V	94.6	Very high	88.9	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.03	13%	0.131	C	C	.	.	S	Bend	trans	-59	-55.6	173.7	170	0	0	0	0	109.1	P94 W95 I96 R111 N180 Y398 A405	P94-V182 HydrophobicContact CB-CG2 3.74Å; W95-V182 WeakPolarHBondContact O-CB 3.03Å; W95-V182 PolarHBondContact O-N 3.27Å; I96-V182 HydrophobicContact CG1-CB 4.23Å; R111-V182 PolarHBondContact NH2-O 2.88Å; N180-V182 PolarHBondContact O-N 3.36Å; V182-Y398 HydrophobicContact CB-CD2 4.38Å; V182-Y398 HydrophobicContact CB-CE2 4.33Å; V182-Y398 HydrophobicContact CG1-CD1 3.98Å; V182-Y398 HydrophobicContact CG1-CD2 3.32Å; V182-Y398 HydrophobicContact CG1-CE1 4.34Å; V182-Y398 HydrophobicContact CG1-CE2 3.71Å; V182-Y398 HydrophobicContact CG1-CG 3.47Å; V182-Y398 VanDerWaalsContact CG1-CG 3.47Å; V182-Y398 HydrophobicContact CG2-CD1 4.25Å; V182-Y398 HydrophobicContact CG2-CD2 4.12Å; V182-Y398 HydrophobicContact CG2-CE1 3.8Å; V182-Y398 HydrophobicContact CG2-CE2 3.62Å; V182-Y398 HydrophobicContact CG2-CG 4.4Å; V182-Y398 VanDerWaalsContact CG2-CZ 3.46Å; V182-A405 HydrophobicContact CB-CB 4.41Å; V182-A405 HydrophobicContact CG1-CB 4.06Å; V182-A405 HydrophobicContact CG2-CB 4.47Å
183	Y	94.9	Very high	89.3	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.			trans	-131.7	152.2	174.5	-55.9	-51.7	0	0	0	110.1	I96 D97 N201 F203 W394 M408	I96-Y183 HydrophobicContact CD1-CD2 4Å; I96-Y183 HydrophobicContact CG1-CD2 4.32Å; D97-Y183 PolarHBondContact N-O 3.08Å; Y183-N201 CarbonylContact C-O 3.55Å; Y183-N201 VanDerWaalsContact CA-O 3.29Å; Y183-N201 WeakPolarHBondContact CA-O 3.41Å; Y183-N201 HydrophobicContact CD1-CB 4.04Å; Y183-F203 HydrophobicContact CD1-CE1 4.29Å; Y183-F203 HydrophobicContact CG-CE1 4.35Å; Y183-W394 HydrophobicContact CE2-CB 4.08Å; Y183-W394 VanDerWaalsContact CE2-O 3.24Å; Y183-W394 WeakPolarHBondContact CE2-O 3.21Å; Y183-W394 PolarHBondContact OH-O 2.91Å; Y183-M408 HydrophobicContact CE1-SD 3.89Å
184	S	94.8	Very high	89.5	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.1	162.4	-65.6	0	0	0	0	108.3	D97 R111 N201 T202 F203	D97-S184 CarbonylContact O-C 3.44Å; D97-S184 WeakPolarHBondContact O-CA 3.3Å; D97-S184 PolarHBondContact OD2-OG 3.43Å; R111-S184 VanDerWaalsContact CD-OG 3.27Å; R111-S184 WeakPolarHBondContact CD-OG 3.48Å; R111-S184 WeakPolarHBondContact CG-OG 3.47Å; R111-S184 PolarHBondContact NE-OG 3.08Å; S184-N201 PolarHBondContact N-O 2.84Å; S184-T202 VanDerWaalsContact O-CA 3.3Å; S184-T202 WeakPolarHBondContact O-CA 3.43Å; S184-F203 PolarHBondContact O-N 3.35Å
185	L	93.3	Very high	89.8	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.2	-175.5	-56.6	180	0	0	0	110.4	L18 I96 D97 Y98 S99 F203 I205	L18-L185 HydrophobicContact CD2-CD1 4.32Å; I96-L185 HydrophobicContact CD1-CD1 4.46Å; I96-L185 HydrophobicContact CG2-CB 4.45Å; I96-L185 HydrophobicContact CG2-CD1 3.52Å; I96-L185 HydrophobicContact CG2-CG 3.69Å; D97-L185 PolarHBondContact O-N 2.61Å; Y98-L185 CarbonylContact C-O 3.51Å; Y98-L185 WeakPolarHBondContact CA-O 3.46Å; Y98-L185 HydrophobicContact CD2-CB 4.01Å; Y98-L185 WeakPolarHBondContact CD2-O 3.32Å; Y98-L185 HydrophobicContact CG-CB 4.34Å; S99-L185 PolarHBondContact N-O 2.59Å; L185-F203 CarbonylContact C-O 3.55Å; L185-F203 VanDerWaalsContact CA-O 3.24Å; L185-F203 WeakPolarHBondContact CA-O 3.17Å; L185-F203 HydrophobicContact CD2-CD1 4.29Å; L185-F203 HydrophobicContact CD2-CD2 4Å; L185-F203 HydrophobicContact CD2-CE1 3.71Å; L185-F203 HydrophobicContact CD2-CE2 3.39Å; L185-F203 HydrophobicContact CD2-CG 4.42Å; L185-F203 HydrophobicContact CD2-CZ 3.22Å; L185-I205 HydrophobicContact CB-CD1 4.25Å; L185-I205 HydrophobicContact CD1-CD1 3.71Å; L185-I205 HydrophobicContact CD2-CD1 4.05Å; L185-I205 HydrophobicContact CG-CD1 4.22Å
186	G	91.1	Very high	89.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	154.8	167.2	0	0	0	0	0	111.8	S99 F203 S204 I205	S99-G186 CarbonylContact O-C 3Å; G186-F203 PolarHBondContact N-O 3.5Å; G186-S204 CarbonylContact O-C 3.51Å; G186-S204 WeakPolarHBondContact O-CA 3.27Å; G186-I205 PolarHBondContact O-N 2.88Å
187	S	85.7	Confident	90	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.042	13%	0.134	C	C	.	.	S	Bend	trans	-99.7	-11.6	175.9	53.4	0	0	0	0	114.3	S99 T100 T101 I205 R312	S99-S187 VanDerWaalsContact O-CB 3.28Å; S99-S187 WeakPolarHBondContact O-CB 3.45Å; S99-S187 PolarHBondContact O-N 3.31Å; S99-S187 PolarHBondContact O-OG 3.44Å; T100-S187 VanDerWaalsContact CA-OG 3.24Å; T100-S187 WeakPolarHBondContact CA-OG 3.45Å; T100-S187 PolarHBondContact O-OG 2.04Å; T100-S187 VanDerWaalsContact O-OG 3.06Å; T101-S187 PolarHBondContact N-OG 3.44Å; T101-S187 PolarHBondContact O-OG 3.45Å; S187-I205 CarbonylContact C-O 3.57Å; S187-R312 PolarHBondContact O-NH1 2.59Å
188	L	82.7	Confident	89.9	Confident	5 Å²	5	27.3 Å²	27.3	3%	0.026	15%	0.153	C	C	.	.	S	Bend	trans	-93.2	126.7	179.8	-172.9	64.9	0	0	0	110.2	A102 T190 L192 S204 I308	A102-L188 HydrophobicContact CB-CD2 4.16Å; L188-T190 PolarHBondContact O-N 3.04Å; L188-L192 HydrophobicContact CD1-CB 4.02Å; L188-L192 HydrophobicContact CD1-CD1 3.8Å; L188-L192 HydrophobicContact CG-CB 4.38Å; L188-S204 WeakPolarHBondContact O-CB 3.42Å; L188-S204 PolarHBondContact O-OG 2.61Å; L188-I308 HydrophobicContact CB-CD1 4.22Å; L188-I308 HydrophobicContact CD1-CD1 4.12Å; L188-I308 HydrophobicContact CD1-CG1 4.05Å; L188-I308 HydrophobicContact CD2-CD1 4.49Å
189	S	84.8	Confident	89.9	Confident	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.161	C	C	.	.			trans	-52.7	136.2	172.2	-166.6	0	0	0	0	111	K191 L192 D206 L380	S189-K191 PolarHBondContact O-N 3.26Å; S189-K191 WeakPolarHBondContact OG-CB 3.49Å; S189-K191 PolarHBondContact OG-N 3.3Å; S189-L192 PolarHBondContact O-N 3.27Å; S189-D206 VanDerWaalsContact CB-OD1 3.24Å; S189-D206 WeakPolarHBondContact CB-OD1 3.45Å; S189-D206 WeakPolarHBondContact CB-OD2 3.24Å; S189-D206 VanDerWaalsContact OG-CG 3.24Å; S189-D206 PolarHBondContact OG-OD2 3.01Å; S189-L380 WeakPolarHBondContact OG-CD1 3.31Å
190	T	86.6	Confident	89.8	Confident	52 Å²	52	32.7 Å²	32.7	32%	0.319	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.4	170.8	50.6	0	0	0	0	112.7	L188 L192 D193 Q198	L188-T190 PolarHBondContact O-N 3.04Å; T190-L192 VanDerWaalsContact C-N 3.26Å; T190-L192 PolarHBondContact O-N 3.5Å; T190-D193 PolarHBondContact O-N 2.96Å; T190-Q198 VanDerWaalsContact CG2-CD 3.44Å; T190-Q198 HydrophobicContact CG2-CG 4.42Å
191	K	88.9	Confident	89.9	Confident	64 Å²	64	30 Å²	30	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.1	176	-62.3	169.3	178.3	168.6	0	112.4	S189 M379 L380 D382 N383	S189-K191 PolarHBondContact O-N 3.26Å; S189-K191 WeakPolarHBondContact OG-CB 3.49Å; S189-K191 PolarHBondContact OG-N 3.3Å; K191-M379 WeakPolarHBondContact CD-O 3.29Å; K191-M379 WeakPolarHBondContact CE-O 3.17Å; K191-M379 PolarHBondContact NZ-O 2.87Å; K191-L380 HydrophobicContact CB-CD1 4.43Å; K191-D382 PolarHBondContact NZ-O 3.49Å; K191-N383 PolarHBondContact NZ-OD1 3.3Å
192	L	90.2	Very high	89.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.2	179.3	-63.7	180	0	0	0	112.8	L188 S189 T190 F311 R312 V315 H340 L376 L380	L188-L192 HydrophobicContact CD1-CB 4.02Å; L188-L192 HydrophobicContact CD1-CD1 3.8Å; L188-L192 HydrophobicContact CG-CB 4.38Å; S189-L192 PolarHBondContact O-N 3.27Å; T190-L192 VanDerWaalsContact C-N 3.26Å; T190-L192 PolarHBondContact O-N 3.5Å; L192-F311 HydrophobicContact CB-CE1 4.06Å; L192-F311 HydrophobicContact CD1-CE1 4.48Å; L192-R312 HydrophobicContact CD1-CB 4.45Å; L192-R312 HydrophobicContact CD1-CG 4.19Å; L192-V315 HydrophobicContact CD2-CB 3.95Å; L192-V315 HydrophobicContact CD2-CG1 3.64Å; L192-V315 HydrophobicContact CD2-CG2 3.93Å; L192-H340 PolarHBondContact O-NE2 2.73Å; L192-L376 HydrophobicContact CD2-CD2 4.08Å; L192-L376 HydrophobicContact CD2-CG 4.39Å; L192-L380 HydrophobicContact CD1-CD1 4.31Å; L192-L380 HydrophobicContact CD1-CD2 4.5Å; L192-L380 HydrophobicContact CD2-CD1 4.27Å; L192-L380 HydrophobicContact CD2-CD2 4.41Å; L192-L380 HydrophobicContact CG-CD1 4.05Å
193	D	89.1	Confident	89.7	Confident	21 Å²	21	30.3 Å²	30.3	11%	0.112	17%	0.167	C	C	.	.	S	Bend	trans	-96.9	177	179.6	-144.3	-38.4	0	0	0	111.2	T190 R332 H340	T190-D193 PolarHBondContact O-N 2.96Å; D193-R332 IonicContact OD1-CZ 3.24Å; D193-R332 IonicContact OD1-NH1 2.84Å; D193-R332 IonicContact OD1-NH2 2.74Å; D193-R332 PolarHBondContact OD1-NH2 3.43Å; D193-R332 IonicContact OD2-CZ 2.75Å; D193-R332 VanDerWaalsContact OD2-CZ 3.24Å; D193-R332 IonicContact OD2-NH1 3.5Å; D193-R332 PolarHBondContact OD2-NH1 3.03Å; D193-R332 IonicContact OD2-NH2 2.75Å; D193-R332 PolarHBondContact OD2-NH2 2.81Å; D193-H340 PolarHBondContact O-CE1 2.82Å; D193-H340 PolarHBondContact O-NE2 2.99Å
194	V	88.3	Confident	89.4	Confident	19 Å²	19	31.1 Å²	31.1	12%	0.115	17%	0.172	C	C	.	.			trans	-64.9	136.9	155.7	179.5	0	0	0	0	106.8	V121 F129 L196 L336 F339	V121-V194 HydrophobicContact CG2-CB 4.44Å; V121-V194 HydrophobicContact CG2-CG2 3.47Å; V121-V194 VanDerWaalsContact CG2-CG2 3.47Å; F129-V194 HydrophobicContact CD1-CG2 4.21Å; F129-V194 HydrophobicContact CE1-CG2 4.06Å; V194-L196 HydrophobicContact CG1-CD2 4.29Å; V194-L196 WeakPolarHBondContact O-CG 3.42Å; V194-L196 PolarHBondContact O-N 3.39Å; V194-L196 VanDerWaalsContact O-N 3.12Å; V194-L336 HydrophobicContact CG2-CD2 4.09Å; V194-F339 HydrophobicContact CG2-CD1 4.21Å; V194-F339 HydrophobicContact CG2-CE1 3.99Å; V194-F339 HydrophobicContact CG2-CZ 4.14Å
195	T	87.7	Confident	89.1	Confident	129 Å²	129	31 Å²	31	79%	0.791	17%	0.172	S	C	*	.			trans	-67.3	115.8	-179.6	-52.3	0	0	0	0	109.9
196	L	88.4	Confident	88.3	Confident	28 Å²	28	31.3 Å²	31.3	15%	0.147	17%	0.173	C	C	.	.			trans	-120.6	153.6	-178.9	-59.8	176.4	0	0	0	110.6	V115 V119 V194	V115-L196 HydrophobicContact CG1-CD1 4.31Å; V115-L196 HydrophobicContact CG1-CD2 3.69Å; V115-L196 HydrophobicContact CG1-CG 4.41Å; V115-L196 HydrophobicContact CG2-CB 4.46Å; V119-L196 HydrophobicContact CG2-CD2 4.24Å; V194-L196 HydrophobicContact CG1-CD2 4.29Å; V194-L196 WeakPolarHBondContact O-CG 3.42Å; V194-L196 PolarHBondContact O-N 3.39Å; V194-L196 VanDerWaalsContact O-N 3.12Å
197	P	89.5	Confident	87.7	Confident	74 Å²	74	32.3 Å²	32.3	48%	0.481	18%	0.177	S	C	.	.			trans	-53.3	140.1	173.8	-25.5	32.8	0	0	0	112.7	V113 V115	V113-P197 HydrophobicContact CG1-CB 4.31Å; V113-P197 WeakPolarHBondContact CG1-O 3.35Å; V115-P197 HydrophobicContact CG2-CG 4.41Å
198	Q	90.2	Very high	87.5	Confident	85 Å²	85	35.1 Å²	35.1	40%	0.397	20%	0.201	S	C	.	.			trans	-127.1	164.7	171.2	-68.3	-169.8	-38.8	0	0	109.9	T190	T190-Q198 VanDerWaalsContact CG2-CD 3.44Å; T190-Q198 HydrophobicContact CG2-CG 4.42Å
199	T	91.3	Very high	87.6	Confident	28 Å²	28	36.8 Å²	36.8	17%	0.172	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-128.2	166.9	175.5	65.5	0	0	0	0	110.2	V113 N201 T202 L410	V113-T199 HydrophobicContact CG2-CG2 3.61Å; T199-N201 PolarHBondContact O-N 3.48Å; T199-N201 VanDerWaalsContact O-N 3.1Å; T199-N201 PolarHBondContact OG1-OD1 2.97Å; T199-T202 PolarHBondContact N-O 3.22Å; T199-T202 CarbonylContact O-C 3.6Å; T199-T202 PolarHBondContact O-N 3.23Å; T199-T202 VanDerWaalsContact O-N 3.15Å; T199-T202 VanDerWaalsContact O-O 3.08Å; T199-T202 VanDerWaalsContact OG1-CB 3.25Å; T199-T202 WeakPolarHBondContact OG1-CB 3.4Å; T199-T202 PolarHBondContact OG1-N 2.84Å; T199-T202 VanDerWaalsContact OG1-N 3.1Å; T199-L410 HydrophobicContact CG2-CD1 3.5Å; T199-L410 VanDerWaalsContact CG2-CD1 3.5Å; T199-L410 HydrophobicContact CG2-CD2 4.14Å; T199-L410 HydrophobicContact CG2-CG 3.94Å
200	M	88.7	Confident	87.6	Confident	108 Å²	108	38.7 Å²	38.7	53%	0.532	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.7	176.6	-67.3	-58.7	-59.8	0	0	113.5	F203 W394 M408	M200-F203 WeakPolarHBondContact O-CD1 3.4Å; M200-F203 WeakPolarHBondContact O-CE1 3.24Å; M200-W394 HydrophobicContact CE-CH2 3.23Å; M200-W394 HydrophobicContact CE-CZ2 3.6Å; M200-W394 HydrophobicContact CE-CZ3 4.14Å; M200-M408 HydrophobicContact CB-CB 4.26Å; M200-M408 HydrophobicContact CB-CG 4.41Å; M200-M408 HydrophobicContact CB-SD 4.28Å
201	N	92.2	Very high	87.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	1.6	-178.4	75.4	-15.7	0	0	0	114.5	R111 Y183 S184 T199 M408	R111-N201 PolarHBondContact NH2-ND2 3.05Å; R111-N201 PolarHBondContact NH2-O 2.74Å; Y183-N201 CarbonylContact C-O 3.55Å; Y183-N201 VanDerWaalsContact CA-O 3.29Å; Y183-N201 WeakPolarHBondContact CA-O 3.41Å; Y183-N201 HydrophobicContact CD1-CB 4.04Å; S184-N201 PolarHBondContact N-O 2.84Å; T199-N201 PolarHBondContact O-N 3.48Å; T199-N201 VanDerWaalsContact O-N 3.1Å; T199-N201 PolarHBondContact OG1-OD1 2.97Å; N201-M408 HydrophobicContact CB-CB 3.99Å; N201-M408 PolarHBondContact ND2-O 2.72Å
202	T	93.3	Very high	87.3	Confident	2 Å²	2	44 Å²	44	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	95.8	-178.2	-54.4	0	0	0	0	108.4	M103 R111 V113 S184 T199	M103-T202 HydrophobicContact CE-CG2 4.15Å; M103-T202 HydrophobicContact SD-CG2 3.51Å; M103-T202 VanDerWaalsContact SD-CG2 3.51Å; R111-T202 HydrophobicContact CB-CG2 4.23Å; R111-T202 WeakPolarHBondContact CB-OG1 3.2Å; R111-T202 HydrophobicContact CG-CG2 4.27Å; R111-T202 WeakPolarHBondContact CG-OG1 3.45Å; R111-T202 PolarHBondContact NE-OG1 3.45Å; V113-T202 HydrophobicContact CG2-CG2 4.02Å; S184-T202 VanDerWaalsContact O-CA 3.3Å; S184-T202 WeakPolarHBondContact O-CA 3.43Å; T199-T202 PolarHBondContact N-O 3.22Å; T199-T202 CarbonylContact O-C 3.6Å; T199-T202 PolarHBondContact O-N 3.23Å; T199-T202 VanDerWaalsContact O-N 3.15Å; T199-T202 VanDerWaalsContact O-O 3.08Å; T199-T202 VanDerWaalsContact OG1-CB 3.25Å; T199-T202 WeakPolarHBondContact OG1-CB 3.4Å; T199-T202 PolarHBondContact OG1-N 2.84Å; T199-T202 VanDerWaalsContact OG1-N 3.1Å
203	F	91.3	Very high	87.3	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.3	-170.4	61.2	-90.9	0	0	0	111.4	Y183 S184 L185 G186 M200 I205 W394	Y183-F203 HydrophobicContact CD1-CE1 4.29Å; Y183-F203 HydrophobicContact CG-CE1 4.35Å; S184-F203 PolarHBondContact O-N 3.35Å; L185-F203 CarbonylContact C-O 3.55Å; L185-F203 VanDerWaalsContact CA-O 3.24Å; L185-F203 WeakPolarHBondContact CA-O 3.17Å; L185-F203 HydrophobicContact CD2-CD1 4.29Å; L185-F203 HydrophobicContact CD2-CD2 4Å; L185-F203 HydrophobicContact CD2-CE1 3.71Å; L185-F203 HydrophobicContact CD2-CE2 3.39Å; L185-F203 HydrophobicContact CD2-CG 4.42Å; L185-F203 HydrophobicContact CD2-CZ 3.22Å; G186-F203 PolarHBondContact N-O 3.5Å; M200-F203 WeakPolarHBondContact O-CD1 3.4Å; M200-F203 WeakPolarHBondContact O-CE1 3.24Å; F203-I205 HydrophobicContact CD2-CG1 4.35Å; F203-I205 HydrophobicContact CE2-CD1 4.43Å; F203-I205 HydrophobicContact CE2-CG1 3.95Å; F203-W394 HydrophobicContact CE1-CG 4.24Å; F203-W394 AromaticContact CE2-CD1 3.78Å; F203-W394 HydrophobicContact CE2-CG 4.43Å; F203-W394 HydrophobicContact CZ-CB 3.85Å; F203-W394 AromaticContact CZ-CD1 3.41Å; F203-W394 VanDerWaalsContact CZ-CD1 3.41Å; F203-W394 AromaticContact CZ-CG 3.65Å; F203-W394 HydrophobicContact CZ-CG 3.65Å
204	S	90	Very high	87.5	Confident	16 Å²	16	55.9 Å²	55.9	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.5	173.2	-63.3	0	0	0	0	111.3	G186 L188	G186-S204 CarbonylContact O-C 3.51Å; G186-S204 WeakPolarHBondContact O-CA 3.27Å; L188-S204 WeakPolarHBondContact O-CB 3.42Å; L188-S204 PolarHBondContact O-OG 2.61Å
205	I	87.1	Confident	87.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-101.8	121.8	168.2	-66.5	162.5	0	0	0	107.9	L18 L185 G186 S187 F203 Y207 E387 G391	L18-I205 HydrophobicContact CD1-CD1 4.5Å; L18-I205 HydrophobicContact CD2-CD1 4.15Å; L185-I205 HydrophobicContact CB-CD1 4.25Å; L185-I205 HydrophobicContact CD1-CD1 3.71Å; L185-I205 HydrophobicContact CD2-CD1 4.05Å; L185-I205 HydrophobicContact CG-CD1 4.22Å; G186-I205 PolarHBondContact O-N 2.88Å; S187-I205 CarbonylContact C-O 3.57Å; F203-I205 HydrophobicContact CD2-CG1 4.35Å; F203-I205 HydrophobicContact CE2-CD1 4.43Å; F203-I205 HydrophobicContact CE2-CG1 3.95Å; I205-Y207 HydrophobicContact CG2-CE1 3.98Å; I205-E387 WeakPolarHBondContact CG2-O 3.24Å; I205-G391 VanDerWaalsContact CD1-CA 3.43Å
206	D	77.9	Confident	88.3	Confident	6 Å²	6	54 Å²	54	3%	0.032	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-80.9	123.6	170	-146.1	-6.7	0	0	0	110	S189 R312 L380 E387 T388	S189-D206 VanDerWaalsContact CB-OD1 3.24Å; S189-D206 WeakPolarHBondContact CB-OD1 3.45Å; S189-D206 WeakPolarHBondContact CB-OD2 3.24Å; S189-D206 VanDerWaalsContact OG-CG 3.24Å; S189-D206 PolarHBondContact OG-OD2 3.01Å; D206-R312 IonicContact OD1-CZ 2.74Å; D206-R312 IonicContact OD1-NH1 2.69Å; D206-R312 IonicContact OD1-NH2 3.17Å; D206-R312 PolarHBondContact OD1-NH2 2.96Å; D206-L380 WeakPolarHBondContact OD2-CD1 3.45Å; D206-E387 HydrophobicContact CB-CB 3.5Å; D206-E387 VanDerWaalsContact CB-CB 3.5Å; D206-E387 HydrophobicContact CB-CG 3.63Å; D206-E387 CarbonylContact O-C 3.45Å; D206-E387 WeakPolarHBondContact O-CB 3.12Å; D206-T388 PolarHBondContact O-N 2.8Å
207	Y	78.2	Confident	88.7	Confident	21 Å²	21	60.5 Å²	60.5	8%	0.082	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-77.7	149.4	168.8	-61	-69	0	0	0	111.5	P17 L18 Y98 I205 C209 R312 T388	P17-Y207 HydrophobicContact CB-CD1 3.59Å; P17-Y207 HydrophobicContact CB-CE1 4Å; P17-Y207 HydrophobicContact CG-CD1 3.98Å; P17-Y207 HydrophobicContact CG-CE1 4.47Å; L18-Y207 HydrophobicContact CB-CE1 4.37Å; Y98-Y207 VanDerWaalsContact OH-CZ 3.25Å; Y98-Y207 PolarHBondContact OH-OH 2.69Å; I205-Y207 HydrophobicContact CG2-CE1 3.98Å; Y207-C209 PolarHBondContact O-N 2.55Å; Y207-R312 VanDerWaalsContact C-NH2 3.28Å; Y207-R312 VanDerWaalsContact CA-NH2 3.31Å; Y207-R312 PolarHBondContact O-NH2 3.2Å; Y207-T388 HydrophobicContact CD1-CG2 4.08Å; Y207-T388 WeakPolarHBondContact CD1-OG1 3.36Å; Y207-T388 HydrophobicContact CE1-CG2 4.07Å
208	A	80.8	Confident	89	Confident	65 Å²	65	61.7 Å²	61.7	54%	0.537	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.6	144.6	168.9	0	0	0	0	0	110.2
209	C	86	Confident	89.4	Confident	41 Å²	41	58 Å²	58	28%	0.277	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.4	141	170.4	-74.4	0	0	0	0	110.2	Y207 K211 C316	Y207-C209 PolarHBondContact O-N 2.55Å; C209-K211 PolarHBondContact O-N 2.74Å; C209-C316 WeakPolarHBondContact CA-SG 3.44Å; C209-C316 HydrophobicContact CB-CB 3.58Å; C209-C316 WeakPolarHBondContact CB-SG 3.37Å; C209-C316 WeakPolarHBondContact SG-CA 3.2Å; C209-C316 WeakPolarHBondContact SG-CB 3.08Å; C209-C316 CovalentContact SG-SG 2.04Å; C209-C316 PolarHBondContact SG-SG 3.25Å
210	P	83.1	Confident	89.7	Confident	43 Å²	43	60.3 Å²	60.3	28%	0.279	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-62.6	137.8	-175.3	20.6	-27	0	0	0	110.9	A212 E313 F317	P210-A212 PolarHBondContact O-N 3.16Å; P210-E313 HydrophobicContact CG-CG 3.91Å; P210-F317 HydrophobicContact CB-CZ 4.44Å; P210-F317 HydrophobicContact CG-CE2 3.97Å; P210-F317 HydrophobicContact CG-CZ 3.8Å; P210-F317 WeakPolarHBondContact O-CE1 3.21Å; P210-F317 VanDerWaalsContact O-CZ 3.3Å; P210-F317 WeakPolarHBondContact O-CZ 3.45Å
211	K	84.5	Confident	90.1	Very high	207 Å²	207	61.5 Å²	61.5	90%	0.9	31%	0.312	S	S	*	.			trans	-85.8	104.7	167.8	-66.5	-176.5	-178.7	179.9	0	107.6	C209	C209-K211 PolarHBondContact O-N 2.74Å
212	A	86.1	Confident	90.3	Very high	20 Å²	20	62.8 Å²	62.8	17%	0.165	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-78.9	147.2	178	0	0	0	0	0	111.4	P210 P291 Q295 F317	P210-A212 PolarHBondContact O-N 3.16Å; A212-P291 HydrophobicContact CB-CB 3.71Å; A212-P291 WeakPolarHBondContact CB-O 3.32Å; A212-Q295 HydrophobicContact CB-CB 4.24Å; A212-F317 HydrophobicContact CB-CZ 4.31Å
213	A	90.2	Very high	90.5	Very high	72 Å²	72	62.7 Å²	62.7	60%	0.595	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-69.3	160.9	170.2	0	0	0	0	0	110.2	S292	A213-S292 VanDerWaalsContact O-CB 3.23Å; A213-S292 WeakPolarHBondContact O-CB 3.36Å; A213-S292 PolarHBondContact O-OG 3.45Å
214	K	92.7	Very high	90.8	Very high	200 Å²	200	66.1 Å²	66.1	87%	0.87	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-62.7	146.6	170	-68.3	-173.4	177.8	-177	0	110.2
215	L	96	Very high	91.1	Very high	19 Å²	19	68.1 Å²	68.1	10%	0.099	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-60.5	146.3	170.6	-69.5	172.9	0	0	0	109.7	Y219 Q220 V223 P289 S292 L293 H296	L215-Y219 HydrophobicContact CD2-CG 4.46Å; L215-Q220 HydrophobicContact CB-CB 4.19Å; L215-V223 HydrophobicContact CD1-CB 4.44Å; L215-V223 HydrophobicContact CD1-CG2 4.25Å; L215-P289 HydrophobicContact CD2-CB 4.5Å; L215-P289 HydrophobicContact CD2-CG 3.88Å; L215-S292 VanDerWaalsContact CD2-CB 3.45Å; L215-L293 HydrophobicContact CD1-CD2 4.33Å; L215-L293 HydrophobicContact CD2-CD2 3.92Å; L215-L293 HydrophobicContact CD2-CG 4.03Å; L215-H296 HydrophobicContact CD1-CB 4.37Å
216	N	96.3	Very high	91.5	Very high	90 Å²	90	74 Å²	74	48%	0.481	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-69.8	167.1	168.1	72	24.5	0	0	0	110	E218 Y219 Q220	N216-E218 VanDerWaalsContact C-N 3.31Å; N216-E218 PolarHBondContact O-N 3.42Å; N216-E218 PolarHBondContact OD1-N 2.75Å; N216-Y219 PolarHBondContact O-N 2.75Å; N216-Y219 VanDerWaalsContact OD1-CD2 3.29Å; N216-Y219 WeakPolarHBondContact OD1-CD2 3.4Å; N216-Y219 PolarHBondContact OD1-N 3.37Å; N216-Q220 VanDerWaalsContact O-CB 3.29Å; N216-Q220 WeakPolarHBondContact O-CB 3.37Å; N216-Q220 PolarHBondContact O-N 2.92Å
217	Y	96.9	Very high	92.4	Very high	163 Å²	163	77.6 Å²	77.6	64%	0.639	41%	0.412	S	S	*	.	H	α-helix	trans	-54.6	-43.4	-176	175.6	-103.1	0	0	0	113.6	Q220 K221	Y217-Q220 PolarHBondContact O-N 3.17Å; Y217-K221 HydrophobicContact CE1-CD 4.42Å; Y217-K221 VanDerWaalsContact O-CB 3.31Å; Y217-K221 WeakPolarHBondContact O-CB 3.31Å; Y217-K221 PolarHBondContact O-N 3.38Å
218	E	96.4	Very high	93.3	Very high	99 Å²	99	77 Å²	77	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-47.9	-178.5	-69.9	-62.8	126.9	0	0	112.2	N216 F222	N216-E218 VanDerWaalsContact C-N 3.31Å; N216-E218 PolarHBondContact O-N 3.42Å; N216-E218 PolarHBondContact OD1-N 2.75Å; E218-F222 WeakPolarHBondContact O-CB 3.48Å; E218-F222 PolarHBondContact O-N 3.21Å; E218-F222 VanDerWaalsContact O-N 3.12Å
219	Y	97.7	Very high	94.1	Very high	8 Å²	8	82.1 Å²	82.1	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-67.9	-39.5	176.2	-82.3	-74.1	0	0	0	112	L215 N216 F222 V223 V266 E285 P289 L293	L215-Y219 HydrophobicContact CD2-CG 4.46Å; N216-Y219 PolarHBondContact O-N 2.75Å; N216-Y219 VanDerWaalsContact OD1-CD2 3.29Å; N216-Y219 WeakPolarHBondContact OD1-CD2 3.4Å; N216-Y219 PolarHBondContact OD1-N 3.37Å; Y219-F222 PolarHBondContact O-N 2.97Å; Y219-V223 WeakPolarHBondContact O-CB 3.13Å; Y219-V223 VanDerWaalsContact O-CG2 3.26Å; Y219-V223 WeakPolarHBondContact O-CG2 3.21Å; Y219-V223 PolarHBondContact O-N 3.4Å; Y219-V266 HydrophobicContact CE1-CG1 4.03Å; Y219-E285 PolarHBondContact OH-OE2 2.87Å; Y219-P289 HydrophobicContact CD1-CG 4.38Å; Y219-P289 HydrophobicContact CD2-CG 3.78Å; Y219-P289 HydrophobicContact CE1-CG 4.32Å; Y219-P289 VanDerWaalsContact CE2-CD 3.45Å; Y219-P289 HydrophobicContact CE2-CG 3.78Å; Y219-P289 HydrophobicContact CG-CG 4.1Å; Y219-P289 WeakPolarHBondContact OH-CD 3.19Å; Y219-L293 HydrophobicContact CD1-CD2 3.98Å; Y219-L293 HydrophobicContact CE1-CD1 4.34Å
220	Q	97.2	Very high	94.6	Very high	77 Å²	77	80.3 Å²	80.3	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-49.9	179	-173.9	171.4	7.1	0	0	110.8	L215 N216 Y217 F222 V223 E224	L215-Q220 HydrophobicContact CB-CB 4.19Å; N216-Q220 VanDerWaalsContact O-CB 3.29Å; N216-Q220 WeakPolarHBondContact O-CB 3.37Å; N216-Q220 PolarHBondContact O-N 2.92Å; Y217-Q220 PolarHBondContact O-N 3.17Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.04Å; Q220-V223 PolarHBondContact O-N 3.43Å; Q220-E224 HydrophobicContact CG-CG 4.13Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.49Å; Q220-E224 WeakPolarHBondContact CG-OE2 3.28Å; Q220-E224 PolarHBondContact NE2-OE1 3.43Å; Q220-E224 PolarHBondContact NE2-OE2 3.47Å; Q220-E224 VanDerWaalsContact O-CB 3.26Å; Q220-E224 WeakPolarHBondContact O-CB 3.06Å; Q220-E224 WeakPolarHBondContact O-CG 2.93Å; Q220-E224 PolarHBondContact O-N 3.05Å
221	K	97.3	Very high	95.4	Very high	133 Å²	133	78.2 Å²	78.2	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-57	-43.4	176.3	-178	-177.2	176.3	-172.6	0	111.9	Y217 D225	Y217-K221 HydrophobicContact CE1-CD 4.42Å; Y217-K221 VanDerWaalsContact O-CB 3.31Å; Y217-K221 WeakPolarHBondContact O-CB 3.31Å; Y217-K221 PolarHBondContact O-N 3.38Å; K221-D225 PolarHBondContact O-N 3.3Å
222	F	97.7	Very high	96.1	Very high	26 Å²	26	68.4 Å²	68.4	11%	0.114	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-48.5	178.1	-176	-97.3	0	0	0	111.7	E218 Y219 Q220 H264 V266 A280 H281 R283	E218-F222 WeakPolarHBondContact O-CB 3.48Å; E218-F222 PolarHBondContact O-N 3.21Å; E218-F222 VanDerWaalsContact O-N 3.12Å; Y219-F222 PolarHBondContact O-N 2.97Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.04Å; F222-H264 HydrophobicContact CD1-CB 4.31Å; F222-H264 HydrophobicContact CE1-CB 3.68Å; F222-H264 HydrophobicContact CZ-CB 3.91Å; F222-H264 PolarHBondContact O-CE1 3.03Å; F222-H264 PolarHBondContact O-ND1 3.04Å; F222-V266 HydrophobicContact CD1-CG2 3.96Å; F222-V266 HydrophobicContact CE1-CG2 3.66Å; F222-A280 WeakPolarHBondContact CE2-O 3.47Å; F222-H281 WeakPolarHBondContact CZ-O 3.38Å; F222-R283 HydrophobicContact CD1-CB 4.26Å; F222-R283 HydrophobicContact CD2-CB 4.4Å; F222-R283 HydrophobicContact CE1-CB 3.78Å; F222-R283 HydrophobicContact CE2-CB 3.93Å; F222-R283 HydrophobicContact CZ-CB 3.59Å
223	V	97.8	Very high	96.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.5	-34.3	-176.8	170.7	0	0	0	0	112.2	L215 Y219 Q220 D225 T231 L293 H296 K298	L215-V223 HydrophobicContact CD1-CB 4.44Å; L215-V223 HydrophobicContact CD1-CG2 4.25Å; Y219-V223 WeakPolarHBondContact O-CB 3.13Å; Y219-V223 VanDerWaalsContact O-CG2 3.26Å; Y219-V223 WeakPolarHBondContact O-CG2 3.21Å; Y219-V223 PolarHBondContact O-N 3.4Å; Q220-V223 PolarHBondContact O-N 3.43Å; V223-D225 VanDerWaalsContact C-N 3.34Å; V223-D225 PolarHBondContact O-N 3.46Å; V223-T231 HydrophobicContact CG2-CG2 4.22Å; V223-L293 HydrophobicContact CG2-CD2 3.83Å; V223-H296 HydrophobicContact CG1-CB 4.3Å; V223-H296 VanDerWaalsContact CG1-CE1 3.46Å; V223-H296 WeakPolarHBondContact CG1-CE1 3.49Å; V223-H296 WeakPolarHBondContact CG1-ND1 3.43Å; V223-K298 HydrophobicContact CG1-CB 4.13Å; V223-K298 WeakPolarHBondContact O-CD 3.36Å
224	E	97	Very high	97.1	Very high	83 Å²	83	64 Å²	64	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-82.4	-7.2	-174.9	-71.1	-179.8	173.1	0	0	114.4	Q220 P226 H296 K298	Q220-E224 HydrophobicContact CG-CG 4.13Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.49Å; Q220-E224 WeakPolarHBondContact CG-OE2 3.28Å; Q220-E224 PolarHBondContact NE2-OE1 3.43Å; Q220-E224 PolarHBondContact NE2-OE2 3.47Å; Q220-E224 VanDerWaalsContact O-CB 3.26Å; Q220-E224 WeakPolarHBondContact O-CB 3.06Å; Q220-E224 WeakPolarHBondContact O-CG 2.93Å; Q220-E224 PolarHBondContact O-N 3.05Å; E224-P226 WeakPolarHBondContact O-CD 3.25Å; E224-P226 VanDerWaalsContact O-N 3.13Å; E224-H296 IonicContact OE1-NE2 2.59Å; E224-K298 PolarHBondContact O-NZ 3.32Å
225	D	96.5	Very high	97.3	Very high	57 Å²	57	54.5 Å²	54.5	31%	0.305	27%	0.271	S	S	.	.			trans	-43.5	118.4	-179.5	-167.5	-27.4	0	0	0	112	K221 V223 A227 S228 H264 K298	K221-D225 PolarHBondContact O-N 3.3Å; V223-D225 VanDerWaalsContact C-N 3.34Å; V223-D225 PolarHBondContact O-N 3.46Å; D225-A227 PolarHBondContact O-N 2.95Å; D225-A227 VanDerWaalsContact OD1-CB 3.32Å; D225-A227 WeakPolarHBondContact OD1-CB 3.22Å; D225-A227 PolarHBondContact OD1-N 2.6Å; D225-S228 PolarHBondContact O-N 2.83Å; D225-H264 WeakPolarHBondContact CB-CE1 3.24Å; D225-H264 IonicContact OD2-CE1 2.68Å; D225-H264 PolarHBondContact OD2-CE1 2.87Å; D225-H264 VanDerWaalsContact OD2-CE1 3.24Å; D225-H264 IonicContact OD2-NE2 3.56Å; D225-K298 PolarHBondContact O-NZ 2.83Å
226	P	95.6	Very high	97.2	Very high	123 Å²	123	54.2 Å²	54.2	80%	0.799	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	178.6	-23.4	34	0	0	0	114.3	E224 S228	E224-P226 WeakPolarHBondContact O-CD 3.25Å; E224-P226 VanDerWaalsContact O-N 3.13Å; P226-S228 PolarHBondContact O-N 3.11Å
227	A	95.3	Very high	96.8	Very high	83 Å²	83	50.8 Å²	50.8	69%	0.686	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.6	178.4	0	0	0	0	0	112.5	D225	D225-A227 PolarHBondContact O-N 2.95Å; D225-A227 VanDerWaalsContact OD1-CB 3.32Å; D225-A227 WeakPolarHBondContact OD1-CB 3.22Å; D225-A227 PolarHBondContact OD1-N 2.6Å
228	S	97.5	Very high	95.9	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.063	25%	0.248	C	C	.	.			trans	-84	134.4	-179.1	-180	0	0	0	0	112.2	D225 P226 G230 H264	D225-S228 PolarHBondContact O-N 2.83Å; P226-S228 PolarHBondContact O-N 3.11Å; S228-G230 PolarHBondContact O-N 3.04Å; S228-G230 PolarHBondContact OG-N 3.28Å; S228-G230 PolarHBondContact OG-O 2.83Å; S228-H264 PolarHBondContact OG-N 3.28Å; S228-H264 VanDerWaalsContact OG-N 3.1Å
229	R	97.4	Very high	95	Very high	172 Å²	172	46.9 Å²	46.9	65%	0.649	25%	0.247	S	C	*	.	S	Bend	trans	-71.5	-9.5	171.5	-65.7	-176.9	70	178.9	-0.9	113.2	Q262 Y263	R229-Q262 WeakPolarHBondContact CB-O 3.45Å; R229-Q262 HydrophobicContact CG-CB 4.33Å; R229-Q262 PolarHBondContact N-O 3.27Å; R229-Y263 HydrophobicContact CB-CD1 3.93Å; R229-Y263 HydrophobicContact CB-CE1 3.62Å
230	G	98.2	Very high	94.4	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.021	25%	0.252	C	S	.	.			trans	150.1	172.4	-179	0	0	0	0	0	111.9	S228 H264 K298	S228-G230 PolarHBondContact O-N 3.04Å; S228-G230 PolarHBondContact OG-N 3.28Å; S228-G230 PolarHBondContact OG-O 2.83Å; G230-H264 PolarHBondContact O-N 2.99Å; G230-K298 CarbonylContact C-O 3.44Å; G230-K298 VanDerWaalsContact CA-O 3.3Å; G230-K298 WeakPolarHBondContact CA-O 3.45Å
231	T	98.7	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.1	-179.9	-55.2	0	0	0	0	111.4	V223 V233 H264 V266 K298 T299 V300	V223-T231 HydrophobicContact CG2-CG2 4.22Å; T231-V233 HydrophobicContact CG2-CG2 4.18Å; T231-H264 CarbonylContact C-O 3.47Å; T231-H264 WeakPolarHBondContact CA-O 3.3Å; T231-V266 HydrophobicContact CG2-CG2 4.04Å; T231-K298 PolarHBondContact N-O 2.84Å; T231-T299 WeakPolarHBondContact O-CA 3.3Å; T231-V300 WeakPolarHBondContact O-CG2 3.22Å; T231-V300 PolarHBondContact O-N 3.17Å
232	I	98.9	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.6	167	-56.4	175.2	0	0	0	107.1	L260 Y263 H264 I265 V266 V300 L301 I303 I360 L364	I232-L260 HydrophobicContact CD1-CD1 4.35Å; I232-Y263 HydrophobicContact CD1-CD2 4.24Å; I232-Y263 HydrophobicContact CD1-CG 4.03Å; I232-Y263 HydrophobicContact CG1-CG 4.37Å; I232-H264 PolarHBondContact N-O 3.1Å; I232-I265 HydrophobicContact CB-CG1 4.09Å; I232-I265 HydrophobicContact CD1-CG1 4.25Å; I232-I265 CarbonylContact O-C 3.59Å; I232-I265 VanDerWaalsContact O-CA 3.31Å; I232-I265 WeakPolarHBondContact O-CA 3.28Å; I232-V266 PolarHBondContact O-N 3.46Å; I232-V300 HydrophobicContact CG1-CG2 4.35Å; I232-L301 WeakPolarHBondContact CA-O 3.38Å; I232-L301 HydrophobicContact CD1-CD2 4.48Å; I232-L301 HydrophobicContact CG1-CB 4.24Å; I232-L301 HydrophobicContact CG1-CD2 4.5Å; I232-L301 HydrophobicContact CG2-CB 4.22Å; I232-L301 HydrophobicContact CG2-CD2 4.01Å; I232-L301 HydrophobicContact CG2-CG 4.19Å; I232-I303 HydrophobicContact CG2-CD1 3.73Å; I232-I303 HydrophobicContact CG2-CG1 3.9Å; I232-I360 HydrophobicContact CD1-CG2 4Å; I232-L364 HydrophobicContact CD1-CD1 4.06Å
233	V	98.8	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.6	176	-178.6	0	0	0	0	108.2	T231 V266 I288 L290 L293 L294 T299 L301 F302 I303	T231-V233 HydrophobicContact CG2-CG2 4.18Å; V233-V266 CarbonylContact C-O 3.4Å; V233-I288 HydrophobicContact CG1-CD1 3.83Å; V233-L290 HydrophobicContact CG1-CD1 3.68Å; V233-L293 HydrophobicContact CG1-CD1 4.46Å; V233-L293 HydrophobicContact CG2-CB 3.94Å; V233-L294 HydrophobicContact CB-CD2 4.34Å; V233-T299 HydrophobicContact CG2-CG2 3.82Å; V233-L301 PolarHBondContact N-O 3.03Å; V233-F302 HydrophobicContact CB-CD2 4.24Å; V233-F302 HydrophobicContact CG1-CD2 4.22Å; V233-F302 HydrophobicContact CG1-CE2 4.39Å; V233-F302 CarbonylContact O-C 3.41Å; V233-F302 WeakPolarHBondContact O-CA 3.5Å; V233-F302 WeakPolarHBondContact O-CD2 3.45Å; V233-I303 PolarHBondContact O-N 3.23Å
234	F	98.5	Very high	93.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.9	176.4	-174.7	-165.4	0	0	0	110.8	F236 W242 I253 F257 V266 W267 Q268 I303 F356	F234-F236 HydrophobicContact CD2-CD1 4.44Å; F234-F236 HydrophobicContact CD2-CE1 4.42Å; F234-F236 AromaticContact CE2-CD1 3.65Å; F234-F236 HydrophobicContact CE2-CD1 3.65Å; F234-F236 HydrophobicContact CE2-CD2 4.21Å; F234-F236 AromaticContact CE2-CE1 3.37Å; F234-F236 HydrophobicContact CE2-CE1 3.37Å; F234-F236 AromaticContact CE2-CE2 3.89Å; F234-F236 HydrophobicContact CE2-CE2 3.89Å; F234-F236 HydrophobicContact CE2-CG 4.12Å; F234-F236 AromaticContact CE2-CZ 3.48Å; F234-F236 HydrophobicContact CE2-CZ 3.48Å; F234-F236 VanDerWaalsContact CE2-CZ 3.48Å; F234-F236 HydrophobicContact CZ-CD1 4.47Å; F234-F236 HydrophobicContact CZ-CD2 4.31Å; F234-F236 HydrophobicContact CZ-CE1 4.02Å; F234-F236 AromaticContact CZ-CE2 3.75Å; F234-F236 HydrophobicContact CZ-CE2 3.75Å; F234-F236 AromaticContact CZ-CZ 3.61Å; F234-F236 HydrophobicContact CZ-CZ 3.61Å; F234-W242 AromaticContact CE1-CH2 3.65Å; F234-W242 HydrophobicContact CE1-CH2 3.65Å; F234-W242 AromaticContact CE1-CZ2 3.84Å; F234-W242 HydrophobicContact CE1-CZ2 3.84Å; F234-W242 HydrophobicContact CE2-CH2 4.45Å; F234-W242 HydrophobicContact CE2-CZ2 4.24Å; F234-W242 AromaticContact CZ-CH2 3.5Å; F234-W242 HydrophobicContact CZ-CH2 3.5Å; F234-W242 VanDerWaalsContact CZ-CH2 3.5Å; F234-W242 AromaticContact CZ-CZ2 3.66Å; F234-W242 HydrophobicContact CZ-CZ2 3.66Å; F234-I253 HydrophobicContact CD1-CG2 4.36Å; F234-I253 HydrophobicContact CE1-CD1 4.15Å; F234-I253 HydrophobicContact CE1-CG2 3.75Å; F234-I253 HydrophobicContact CZ-CD1 4.29Å; F234-F257 HydrophobicContact CB-CZ 4.23Å; F234-F257 AromaticContact CD1-CE2 3.72Å; F234-F257 HydrophobicContact CD1-CE2 3.72Å; F234-F257 AromaticContact CD1-CZ 3.48Å; F234-F257 HydrophobicContact CD1-CZ 3.48Å; F234-F257 VanDerWaalsContact CD1-CZ 3.48Å; F234-F257 HydrophobicContact CE1-CE2 4.34Å; F234-F257 HydrophobicContact CE1-CZ 4.15Å; F234-F257 HydrophobicContact CG-CZ 4.19Å; F234-V266 PolarHBondContact N-O 3.27Å; F234-W267 HydrophobicContact CB-CB 4.35Å; F234-W267 HydrophobicContact CB-CG 4.3Å; F234-W267 AromaticContact CD1-CD1 3.29Å; F234-W267 AromaticContact CD1-CD2 3.95Å; F234-W267 HydrophobicContact CD1-CD2 3.95Å; F234-W267 AromaticContact CD1-CE2 3.73Å; F234-W267 AromaticContact CD1-CG 3.72Å; F234-W267 HydrophobicContact CD1-CG 3.72Å; F234-W267 HydrophobicContact CD1-CZ2 4.5Å; F234-W267 AromaticContact CD1-NE1 3.32Å; F234-W267 VanDerWaalsContact CD1-NE1 3.32Å; F234-W267 AromaticContact CE1-CD1 3.96Å; F234-W267 HydrophobicContact CE1-CD2 4.41Å; F234-W267 AromaticContact CE1-CE2 3.77Å; F234-W267 HydrophobicContact CE1-CZ2 4.14Å; F234-W267 AromaticContact CE1-NE1 3.48Å; F234-W267 AromaticContact CG-CD1 3.73Å; F234-W267 HydrophobicContact CG-CG 4.32Å; F234-Q268 PolarHBondContact O-N 3.12Å; F234-I303 WeakPolarHBondContact CA-O 3.48Å; F234-I303 HydrophobicContact CB-CB 4.11Å; F234-I303 HydrophobicContact CD2-CB 3.55Å; F234-I303 HydrophobicContact CD2-CG2 3.44Å; F234-I303 VanDerWaalsContact CD2-CG2 3.44Å; F234-I303 WeakPolarHBondContact CD2-O 3.07Å; F234-I303 HydrophobicContact CE2-CB 4.11Å; F234-I303 HydrophobicContact CE2-CG2 3.46Å; F234-I303 VanDerWaalsContact CE2-CG2 3.46Å; F234-I303 HydrophobicContact CG-CB 3.97Å; F234-I303 HydrophobicContact CG-CG2 4.1Å; F234-I303 HydrophobicContact CZ-CG2 4.12Å; F234-F356 HydrophobicContact CE1-CZ 4.21Å; F234-F356 HydrophobicContact CZ-CZ 4.5Å
235	S	97.6	Very high	93.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	130.8	174.6	171	0	0	0	0	112.8	G237 Q268 I303 T304	S235-G237 PolarHBondContact OG-N 3.4Å; S235-G237 VanDerWaalsContact OG-N 3.11Å; S235-Q268 PolarHBondContact OG-OE1 3.46Å; S235-I303 PolarHBondContact N-O 3.29Å; S235-T304 WeakPolarHBondContact O-CA 3.27Å
236	F	94.8	Very high	93.4	Very high	13 Å²	13	52.4 Å²	52.4	6%	0.057	29%	0.286	C	S	.	.			trans	-99.9	19	170.3	-71.7	-21.1	0	0	0	113.3	F234 A240 W242 H305 I324 L326	F234-F236 HydrophobicContact CD2-CD1 4.44Å; F234-F236 HydrophobicContact CD2-CE1 4.42Å; F234-F236 AromaticContact CE2-CD1 3.65Å; F234-F236 HydrophobicContact CE2-CD1 3.65Å; F234-F236 HydrophobicContact CE2-CD2 4.21Å; F234-F236 AromaticContact CE2-CE1 3.37Å; F234-F236 HydrophobicContact CE2-CE1 3.37Å; F234-F236 AromaticContact CE2-CE2 3.89Å; F234-F236 HydrophobicContact CE2-CE2 3.89Å; F234-F236 HydrophobicContact CE2-CG 4.12Å; F234-F236 AromaticContact CE2-CZ 3.48Å; F234-F236 HydrophobicContact CE2-CZ 3.48Å; F234-F236 VanDerWaalsContact CE2-CZ 3.48Å; F234-F236 HydrophobicContact CZ-CD1 4.47Å; F234-F236 HydrophobicContact CZ-CD2 4.31Å; F234-F236 HydrophobicContact CZ-CE1 4.02Å; F234-F236 AromaticContact CZ-CE2 3.75Å; F234-F236 HydrophobicContact CZ-CE2 3.75Å; F234-F236 AromaticContact CZ-CZ 3.61Å; F234-F236 HydrophobicContact CZ-CZ 3.61Å; F236-A240 HydrophobicContact CB-CB 3.38Å; F236-A240 HydrophobicContact CD2-CB 4.36Å; F236-A240 HydrophobicContact CG-CB 4.35Å; F236-W242 AromaticContact CD2-CH2 3.77Å; F236-W242 HydrophobicContact CD2-CH2 3.77Å; F236-W242 AromaticContact CD2-CZ2 3.41Å; F236-W242 HydrophobicContact CD2-CZ2 3.41Å; F236-W242 VanDerWaalsContact CD2-CZ2 3.41Å; F236-W242 AromaticContact CE2-CH2 3.6Å; F236-W242 HydrophobicContact CE2-CH2 3.6Å; F236-W242 AromaticContact CE2-CZ2 3.74Å; F236-W242 HydrophobicContact CE2-CZ2 3.74Å; F236-W242 HydrophobicContact CG-CZ2 4.2Å; F236-H305 WeakPolarHBondContact CA-ND1 3.4Å; F236-H305 HydrophobicContact CB-CB 4.28Å; F236-H305 HydrophobicContact CD1-CB 3.6Å; F236-H305 HydrophobicContact CE1-CB 4.09Å; F236-H305 HydrophobicContact CG-CB 4.15Å; F236-H305 PolarHBondContact O-CD2 3.41Å; F236-H305 PolarHBondContact O-CE1 3.16Å; F236-H305 VanDerWaalsContact O-CE1 3.3Å; F236-H305 PolarHBondContact O-ND1 2.79Å; F236-H305 PolarHBondContact O-NE2 3.31Å; F236-I324 HydrophobicContact CE1-CB 3.92Å; F236-I324 HydrophobicContact CE1-CD1 4.47Å; F236-I324 HydrophobicContact CZ-CB 3.82Å; F236-I324 HydrophobicContact CZ-CD1 4.07Å; F236-I324 HydrophobicContact CZ-CG1 4.46Å; F236-I324 HydrophobicContact CZ-CG2 4.02Å; F236-L326 HydrophobicContact CB-CD1 4.29Å; F236-L326 HydrophobicContact CD2-CD1 4.21Å; F236-L326 HydrophobicContact CE2-CD2 4.29Å; F236-L326 HydrophobicContact CG-CD1 4.31Å
237	G	86.2	Confident	93.5	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	-158.6	180	0	0	0	0	0	113	S235	S235-G237 PolarHBondContact OG-N 3.4Å; S235-G237 VanDerWaalsContact OG-N 3.11Å
238	H	79	Confident	93.5	Very high	110 Å²	110	52 Å²	52	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-14.8	-171.6	62.1	-77.6	0	0	0	113.8	W287	H238-W287 HydrophobicContact CB-CZ3 4.35Å
239	T	77.5	Confident	93.4	Very high	70 Å²	70	53.4 Å²	53.4	43%	0.429	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.6	-177.4	51.8	0	0	0	0	113.2	D241	T239-D241 PolarHBondContact O-N 2.9Å
240	A	85.6	Confident	93.4	Very high	18 Å²	18	45.4 Å²	45.4	15%	0.149	24%	0.241	C	C	.	.			trans	-84.5	109.2	176.4	0	0	0	0	0	109.5	F236 L326	F236-A240 HydrophobicContact CB-CB 3.38Å; F236-A240 HydrophobicContact CD2-CB 4.36Å; F236-A240 HydrophobicContact CG-CB 4.35Å; A240-L326 HydrophobicContact CB-CD1 3.65Å
241	D	91.1	Very high	93.3	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	26%	0.263	S	S	.	.			trans	-92.7	109.7	171.8	-163.6	-14.8	0	0	0	109.8	T239 K243 E244 N270	T239-D241 PolarHBondContact O-N 2.9Å; D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact OD1-CB 3.31Å; D241-K243 WeakPolarHBondContact OD1-CB 3.47Å; D241-K243 VanDerWaalsContact OD1-CG 3.28Å; D241-K243 WeakPolarHBondContact OD1-CG 3.12Å; D241-K243 PolarHBondContact OD1-N 2.93Å; D241-E244 HydrophobicContact CB-CG 4.28Å; D241-E244 PolarHBondContact O-N 2.96Å; D241-E244 VanDerWaalsContact O-N 3.17Å; D241-N270 PolarHBondContact OD1-ND2 3.43Å; D241-N270 PolarHBondContact OD1-OD1 2.78Å
242	W	95	Very high	93.2	Very high	13 Å²	13	51.5 Å²	51.5	5%	0.049	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.1	-13.3	179	-70.8	97.2	0	0	0	113.3	F234 F236 E244 A245 I250 I253 W267 Q268 F269 N270	F234-W242 AromaticContact CE1-CH2 3.65Å; F234-W242 HydrophobicContact CE1-CH2 3.65Å; F234-W242 AromaticContact CE1-CZ2 3.84Å; F234-W242 HydrophobicContact CE1-CZ2 3.84Å; F234-W242 HydrophobicContact CE2-CH2 4.45Å; F234-W242 HydrophobicContact CE2-CZ2 4.24Å; F234-W242 AromaticContact CZ-CH2 3.5Å; F234-W242 HydrophobicContact CZ-CH2 3.5Å; F234-W242 VanDerWaalsContact CZ-CH2 3.5Å; F234-W242 AromaticContact CZ-CZ2 3.66Å; F234-W242 HydrophobicContact CZ-CZ2 3.66Å; F236-W242 AromaticContact CD2-CH2 3.77Å; F236-W242 HydrophobicContact CD2-CH2 3.77Å; F236-W242 AromaticContact CD2-CZ2 3.41Å; F236-W242 HydrophobicContact CD2-CZ2 3.41Å; F236-W242 VanDerWaalsContact CD2-CZ2 3.41Å; F236-W242 AromaticContact CE2-CH2 3.6Å; F236-W242 HydrophobicContact CE2-CH2 3.6Å; F236-W242 AromaticContact CE2-CZ2 3.74Å; F236-W242 HydrophobicContact CE2-CZ2 3.74Å; F236-W242 HydrophobicContact CG-CZ2 4.2Å; W242-E244 PolarHBondContact O-N 3.44Å; W242-A245 HydrophobicContact CE3-CB 4.07Å; W242-A245 PolarHBondContact O-N 3.24Å; W242-I250 HydrophobicContact CE3-CG1 4.14Å; W242-I250 HydrophobicContact CZ3-CG1 4.45Å; W242-I253 HydrophobicContact CH2-CD1 3.89Å; W242-I253 HydrophobicContact CZ3-CD1 3.95Å; W242-W267 HydrophobicContact CD2-CZ2 4.47Å; W242-W267 AromaticContact CE2-NE1 3.57Å; W242-W267 HydrophobicContact CE3-CZ2 4.16Å; W242-W267 AromaticContact CH2-CZ2 3.77Å; W242-W267 HydrophobicContact CH2-CZ2 3.77Å; W242-W267 AromaticContact CH2-NE1 3.79Å; W242-W267 AromaticContact CZ2-CE2 3.98Å; W242-W267 HydrophobicContact CZ2-CZ2 4.08Å; W242-W267 AromaticContact CZ2-NE1 3.24Å; W242-W267 AromaticContact CZ3-CZ2 3.81Å; W242-W267 HydrophobicContact CZ3-CZ2 3.81Å; W242-W267 AromaticContact NE1-NE1 3.98Å; W242-Q268 PolarHBondContact NE1-O 2.9Å; W242-F269 HydrophobicContact CB-CD2 3.61Å; W242-F269 HydrophobicContact CB-CE2 3.59Å; W242-F269 HydrophobicContact CB-CG 4.47Å; W242-F269 HydrophobicContact CB-CZ 4.44Å; W242-F269 AromaticContact CD1-CD2 3.94Å; W242-F269 AromaticContact CD2-CD2 3.54Å; W242-F269 HydrophobicContact CD2-CD2 3.54Å; W242-F269 AromaticContact CD2-CE2 3.95Å; W242-F269 HydrophobicContact CD2-CE2 3.95Å; W242-F269 AromaticContact CE3-CD2 3.93Å; W242-F269 HydrophobicContact CE3-CD2 3.93Å; W242-F269 AromaticContact CE3-CE2 3.94Å; W242-F269 HydrophobicContact CE3-CE2 3.94Å; W242-F269 AromaticContact CG-CD2 3.42Å; W242-F269 HydrophobicContact CG-CD2 3.42Å; W242-F269 VanDerWaalsContact CG-CD2 3.42Å; W242-F269 AromaticContact CG-CE2 3.85Å; W242-F269 HydrophobicContact CG-CE2 3.85Å; W242-F269 HydrophobicContact CG-CG 4.31Å; W242-N270 VanDerWaalsContact CB-OD1 3.3Å; W242-N270 WeakPolarHBondContact CB-OD1 3.42Å; W242-N270 PolarHBondContact N-OD1 2.95Å
243	K	94.4	Very high	93.2	Very high	140 Å²	140	51.7 Å²	51.7	61%	0.609	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.2	-28.1	172.9	-61.9	171.8	-174.8	175.7	0	112.4	D241 N270	D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact OD1-CB 3.31Å; D241-K243 WeakPolarHBondContact OD1-CB 3.47Å; D241-K243 VanDerWaalsContact OD1-CG 3.28Å; D241-K243 WeakPolarHBondContact OD1-CG 3.12Å; D241-K243 PolarHBondContact OD1-N 2.93Å; K243-N270 WeakPolarHBondContact CE-O 3.42Å
244	E	93.6	Very high	93.2	Very high	161 Å²	161	52 Å²	52	75%	0.752	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-94.1	-2.6	-179.9	-56.6	-57.6	140	0	0	112.4	D241 W242	D241-E244 HydrophobicContact CB-CG 4.28Å; D241-E244 PolarHBondContact O-N 2.96Å; D241-E244 VanDerWaalsContact O-N 3.17Å; W242-E244 PolarHBondContact O-N 3.44Å
245	A	93.8	Very high	93.1	Very high	24 Å²	24	53.7 Å²	53.7	20%	0.198	29%	0.285	C	S	.	.	S	Bend	trans	-78.1	145	-179.7	0	0	0	0	0	111.3	W242 T247 I250	W242-A245 HydrophobicContact CE3-CB 4.07Å; W242-A245 PolarHBondContact O-N 3.24Å; A245-T247 PolarHBondContact O-N 2.71Å; A245-I250 HydrophobicContact CB-CD1 4.14Å; A245-I250 HydrophobicContact CB-CG1 4.22Å
246	P	94.8	Very high	93.2	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	29%	0.285	S	S	.	.			trans	-55.8	133.2	175.4	-24.9	33.8	0	0	0	111.6	E248 L249 I250	P246-E248 PolarHBondContact O-N 3.15Å; P246-L249 HydrophobicContact CB-CB 4.17Å; P246-L249 WeakPolarHBondContact O-CB 3.31Å; P246-L249 PolarHBondContact O-N 2.75Å; P246-L249 VanDerWaalsContact O-N 3.09Å; P246-I250 PolarHBondContact O-N 3.24Å
247	T	95.9	Very high	93.3	Very high	61 Å²	61	53 Å²	53	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-36	-177.8	-69.6	0	0	0	0	111.4	A245 L249 I250 K251 I275	A245-T247 PolarHBondContact O-N 2.71Å; T247-L249 VanDerWaalsContact C-N 3.31Å; T247-L249 PolarHBondContact O-N 3.21Å; T247-I250 PolarHBondContact O-N 3.39Å; T247-K251 HydrophobicContact CG2-CD 4.15Å; T247-K251 HydrophobicContact CG2-CG 4.47Å; T247-K251 WeakPolarHBondContact O-CG 3.21Å; T247-K251 PolarHBondContact O-N 2.95Å; T247-I275 HydrophobicContact CG2-CD1 4Å
248	E	95.3	Very high	93.9	Very high	137 Å²	137	56.5 Å²	56.5	64%	0.64	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-39.3	177.7	-62.5	67.3	-145.7	0	0	111.2	P246 K251 A252	P246-E248 PolarHBondContact O-N 3.15Å; E248-K251 PolarHBondContact O-N 3.26Å; E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.18Å; E248-A252 PolarHBondContact O-N 2.98Å
249	L	95.7	Very high	94.7	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-44.4	176.8	176.6	63.1	0	0	0	111.2	P246 T247 K251 A252 I253 L351	P246-L249 HydrophobicContact CB-CB 4.17Å; P246-L249 WeakPolarHBondContact O-CB 3.31Å; P246-L249 PolarHBondContact O-N 2.75Å; P246-L249 VanDerWaalsContact O-N 3.09Å; T247-L249 VanDerWaalsContact C-N 3.31Å; T247-L249 PolarHBondContact O-N 3.21Å; L249-K251 VanDerWaalsContact C-N 3.34Å; L249-K251 PolarHBondContact O-N 3.37Å; L249-A252 PolarHBondContact O-N 3.44Å; L249-I253 HydrophobicContact CD1-CD1 4.05Å; L249-I253 HydrophobicContact CD1-CG1 4.34Å; L249-I253 HydrophobicContact CG-CD1 4.03Å; L249-I253 WeakPolarHBondContact O-CG1 2.89Å; L249-I253 PolarHBondContact O-N 3.11Å; L249-L351 HydrophobicContact CD1-CB 3.58Å; L249-L351 HydrophobicContact CD1-CD1 3.91Å; L249-L351 HydrophobicContact CD1-CG 4.37Å
250	I	97.3	Very high	95.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-45.9	177.8	-62.9	169	0	0	0	110.2	W242 A245 P246 T247 I253 S254 W267 F269 I275 V276	W242-I250 HydrophobicContact CE3-CG1 4.14Å; W242-I250 HydrophobicContact CZ3-CG1 4.45Å; A245-I250 HydrophobicContact CB-CD1 4.14Å; A245-I250 HydrophobicContact CB-CG1 4.22Å; P246-I250 PolarHBondContact O-N 3.24Å; T247-I250 PolarHBondContact O-N 3.39Å; I250-I253 PolarHBondContact O-N 3.38Å; I250-S254 WeakPolarHBondContact O-CB 3.42Å; I250-S254 PolarHBondContact O-N 2.76Å; I250-W267 HydrophobicContact CG2-CH2 4.14Å; I250-F269 HydrophobicContact CD1-CE2 4.1Å; I250-F269 HydrophobicContact CD1-CZ 4.33Å; I250-F269 HydrophobicContact CG1-CE2 4.26Å; I250-F269 HydrophobicContact CG2-CE2 3.89Å; I250-F269 HydrophobicContact CG2-CZ 3.98Å; I250-I275 HydrophobicContact CB-CD1 3.94Å; I250-I275 HydrophobicContact CD1-CD1 3.85Å; I250-I275 HydrophobicContact CG2-CD1 3.64Å; I250-I275 HydrophobicContact CG2-CG1 4.01Å; I250-V276 HydrophobicContact CG2-CG1 3.5Å; I250-V276 VanDerWaalsContact CG2-CG1 3.5Å
251	K	97.3	Very high	96.3	Very high	113 Å²	113	54.8 Å²	54.8	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.7	-73.8	177.4	177.9	177.6	0	112.1	T247 E248 L249 I253 S254 S255	T247-K251 HydrophobicContact CG2-CD 4.15Å; T247-K251 HydrophobicContact CG2-CG 4.47Å; T247-K251 WeakPolarHBondContact O-CG 3.21Å; T247-K251 PolarHBondContact O-N 2.95Å; E248-K251 PolarHBondContact O-N 3.26Å; L249-K251 VanDerWaalsContact C-N 3.34Å; L249-K251 PolarHBondContact O-N 3.37Å; K251-I253 PolarHBondContact O-N 3.34Å; K251-S254 PolarHBondContact O-N 3.06Å; K251-S255 VanDerWaalsContact O-CB 3.32Å; K251-S255 WeakPolarHBondContact O-CB 3.3Å; K251-S255 PolarHBondContact O-N 2.9Å
252	A	97.1	Very high	96.6	Very high	18 Å²	18	54.6 Å²	54.6	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-44.2	177.4	0	0	0	0	0	112.4	E248 L249 A256 E353	E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.18Å; E248-A252 PolarHBondContact O-N 2.98Å; L249-A252 PolarHBondContact O-N 3.44Å; A252-A256 WeakPolarHBondContact O-CB 3.07Å; A252-A256 PolarHBondContact O-N 2.79Å; A252-A256 VanDerWaalsContact O-N 3.09Å; A252-E353 HydrophobicContact CB-CB 4.28Å
253	I	98	Very high	96.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-47.7	174.9	-72.1	169.7	0	0	0	110.5	F234 W242 L249 I250 K251 S255 A256 F257 W267 F356	F234-I253 HydrophobicContact CD1-CG2 4.36Å; F234-I253 HydrophobicContact CE1-CD1 4.15Å; F234-I253 HydrophobicContact CE1-CG2 3.75Å; F234-I253 HydrophobicContact CZ-CD1 4.29Å; W242-I253 HydrophobicContact CH2-CD1 3.89Å; W242-I253 HydrophobicContact CZ3-CD1 3.95Å; L249-I253 HydrophobicContact CD1-CD1 4.05Å; L249-I253 HydrophobicContact CD1-CG1 4.34Å; L249-I253 HydrophobicContact CG-CD1 4.03Å; L249-I253 WeakPolarHBondContact O-CG1 2.89Å; L249-I253 PolarHBondContact O-N 3.11Å; I250-I253 PolarHBondContact O-N 3.38Å; K251-I253 PolarHBondContact O-N 3.34Å; I253-S255 PolarHBondContact O-N 3.4Å; I253-A256 PolarHBondContact O-N 3.28Å; I253-F257 HydrophobicContact CG2-CD2 3.98Å; I253-F257 HydrophobicContact CG2-CE2 3.53Å; I253-F257 HydrophobicContact CG2-CZ 3.99Å; I253-F257 WeakPolarHBondContact O-CG 3.39Å; I253-F257 PolarHBondContact O-N 3.41Å; I253-F257 VanDerWaalsContact O-N 3.08Å; I253-W267 HydrophobicContact CB-CH2 4.18Å; I253-W267 HydrophobicContact CG2-CE3 4.5Å; I253-W267 HydrophobicContact CG2-CH2 3.51Å; I253-W267 HydrophobicContact CG2-CZ2 3.77Å; I253-W267 HydrophobicContact CG2-CZ3 3.91Å; I253-F356 HydrophobicContact CB-CE1 4.29Å; I253-F356 HydrophobicContact CG1-CD1 4.34Å; I253-F356 HydrophobicContact CG1-CE1 4.22Å; I253-F356 HydrophobicContact CG1-CE2 4.47Å; I253-F356 HydrophobicContact CG1-CG 4.48Å; I253-F356 HydrophobicContact CG1-CZ 4.29Å; I253-F356 HydrophobicContact CG2-CE1 3.88Å; I253-F356 HydrophobicContact CG2-CZ 4.08Å
254	S	98.1	Very high	96.9	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-46.4	179.9	-176.8	0	0	0	0	111.9	I250 K251 A256 F257 E258 V276 S277	I250-S254 WeakPolarHBondContact O-CB 3.42Å; I250-S254 PolarHBondContact O-N 2.76Å; K251-S254 PolarHBondContact O-N 3.06Å; S254-A256 PolarHBondContact O-N 2.72Å; S254-F257 WeakPolarHBondContact O-CB 3.25Å; S254-F257 PolarHBondContact O-N 3.04Å; S254-F257 VanDerWaalsContact O-N 3.17Å; S254-E258 PolarHBondContact O-N 2.88Å; S254-E258 VanDerWaalsContact O-N 3.12Å; S254-V276 WeakPolarHBondContact OG-CA 3.39Å; S254-S277 PolarHBondContact OG-N 3.32Å
255	S	97.8	Very high	97.2	Very high	36 Å²	36	41.1 Å²	41.1	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-44.1	178.2	-170.5	0	0	0	0	111.6	K251 I253 F257 E258 N259 E353	K251-S255 VanDerWaalsContact O-CB 3.32Å; K251-S255 WeakPolarHBondContact O-CB 3.3Å; K251-S255 PolarHBondContact O-N 2.9Å; I253-S255 PolarHBondContact O-N 3.4Å; S255-F257 VanDerWaalsContact C-N 3.26Å; S255-F257 PolarHBondContact O-N 3.04Å; S255-E258 WeakPolarHBondContact O-CB 3.4Å; S255-E258 PolarHBondContact O-N 3Å; S255-E258 VanDerWaalsContact O-N 3.14Å; S255-N259 PolarHBondContact O-N 3.36Å; S255-E353 VanDerWaalsContact CB-OE2 3.23Å; S255-E353 WeakPolarHBondContact CB-OE2 3.03Å; S255-E353 PolarHBondContact OG-OE1 2.74Å; S255-E353 PolarHBondContact OG-OE2 3.23Å
256	A	98.3	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-34	176.1	0	0	0	0	0	112.8	A252 I253 S254 N259 E353 F356	A252-A256 WeakPolarHBondContact O-CB 3.07Å; A252-A256 PolarHBondContact O-N 2.79Å; A252-A256 VanDerWaalsContact O-N 3.09Å; I253-A256 PolarHBondContact O-N 3.28Å; S254-A256 PolarHBondContact O-N 2.72Å; A256-N259 PolarHBondContact O-N 3.34Å; A256-E353 HydrophobicContact CB-CG 3.92Å; A256-F356 HydrophobicContact CB-CD1 3.67Å; A256-F356 HydrophobicContact CB-CE1 4.4Å
257	F	98.5	Very high	97.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.8	-31.9	175.3	-72	-24.6	0	0	0	113.8	F234 I253 S254 S255 N259 L260 I265 W267 H281 L282 I303 F356 I360	F234-F257 HydrophobicContact CB-CZ 4.23Å; F234-F257 AromaticContact CD1-CE2 3.72Å; F234-F257 HydrophobicContact CD1-CE2 3.72Å; F234-F257 AromaticContact CD1-CZ 3.48Å; F234-F257 HydrophobicContact CD1-CZ 3.48Å; F234-F257 VanDerWaalsContact CD1-CZ 3.48Å; F234-F257 HydrophobicContact CE1-CE2 4.34Å; F234-F257 HydrophobicContact CE1-CZ 4.15Å; F234-F257 HydrophobicContact CG-CZ 4.19Å; I253-F257 HydrophobicContact CG2-CD2 3.98Å; I253-F257 HydrophobicContact CG2-CE2 3.53Å; I253-F257 HydrophobicContact CG2-CZ 3.99Å; I253-F257 WeakPolarHBondContact O-CG 3.39Å; I253-F257 PolarHBondContact O-N 3.41Å; I253-F257 VanDerWaalsContact O-N 3.08Å; S254-F257 WeakPolarHBondContact O-CB 3.25Å; S254-F257 PolarHBondContact O-N 3.04Å; S254-F257 VanDerWaalsContact O-N 3.17Å; S255-F257 VanDerWaalsContact C-N 3.26Å; S255-F257 PolarHBondContact O-N 3.04Å; F257-N259 PolarHBondContact O-N 3.27Å; F257-L260 HydrophobicContact CD1-CD1 4.31Å; F257-L260 PolarHBondContact O-N 3.04Å; F257-L260 VanDerWaalsContact O-N 3.12Å; F257-I265 HydrophobicContact CB-CD1 3.77Å; F257-I265 HydrophobicContact CD1-CD1 3.64Å; F257-I265 HydrophobicContact CD1-CG2 4.22Å; F257-I265 HydrophobicContact CD2-CG2 4.11Å; F257-I265 HydrophobicContact CE1-CD1 4.37Å; F257-I265 HydrophobicContact CE1-CG2 4.11Å; F257-I265 HydrophobicContact CE2-CG2 4.01Å; F257-I265 HydrophobicContact CG-CD1 3.83Å; F257-I265 HydrophobicContact CG-CG2 4.22Å; F257-I265 HydrophobicContact CZ-CG2 4.01Å; F257-W267 AromaticContact CD2-CE3 3.86Å; F257-W267 HydrophobicContact CD2-CE3 3.86Å; F257-W267 HydrophobicContact CD2-CZ3 4.14Å; F257-W267 AromaticContact CE2-CD2 3.89Å; F257-W267 HydrophobicContact CE2-CD2 3.89Å; F257-W267 AromaticContact CE2-CE3 3.64Å; F257-W267 HydrophobicContact CE2-CE3 3.64Å; F257-W267 HydrophobicContact CE2-CG 4.28Å; F257-W267 HydrophobicContact CE2-CZ3 4.12Å; F257-H281 PolarHBondContact O-NE2 2.98Å; F257-L282 HydrophobicContact CB-CD1 4.22Å; F257-L282 HydrophobicContact CB-CD2 3.67Å; F257-L282 HydrophobicContact CD2-CD2 3.98Å; F257-L282 HydrophobicContact CG-CD2 4.05Å; F257-I303 HydrophobicContact CE1-CD1 3.82Å; F257-I303 HydrophobicContact CZ-CD1 4.04Å; F257-F356 AromaticContact CD1-CE1 3.97Å; F257-F356 HydrophobicContact CD1-CE1 3.97Å; F257-F356 AromaticContact CE1-CE1 3.43Å; F257-F356 HydrophobicContact CE1-CE1 3.43Å; F257-F356 VanDerWaalsContact CE1-CE1 3.43Å; F257-F356 AromaticContact CE1-CZ 3.78Å; F257-F356 HydrophobicContact CE1-CZ 3.78Å; F257-F356 AromaticContact CZ-CE1 3.75Å; F257-F356 HydrophobicContact CZ-CE1 3.75Å; F257-F356 AromaticContact CZ-CZ 3.78Å; F257-F356 HydrophobicContact CZ-CZ 3.78Å; F257-I360 HydrophobicContact CD1-CD1 4.19Å; F257-I360 HydrophobicContact CE1-CD1 3.83Å
258	E	97.5	Very high	97.7	Very high	90 Å²	90	34.3 Å²	34.3	42%	0.421	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-36.5	172.6	-68.7	-171.6	159.2	0	0	111.5	S254 S255 L260 S277	S254-E258 PolarHBondContact O-N 2.88Å; S254-E258 VanDerWaalsContact O-N 3.12Å; S255-E258 WeakPolarHBondContact O-CB 3.4Å; S255-E258 PolarHBondContact O-N 3Å; S255-E258 VanDerWaalsContact O-N 3.14Å; E258-L260 PolarHBondContact O-N 2.84Å; E258-L260 VanDerWaalsContact O-N 3.11Å; E258-S277 WeakPolarHBondContact CG-OG 3.3Å; E258-S277 WeakPolarHBondContact OE1-CB 3.23Å; E258-S277 PolarHBondContact OE1-OG 3.31Å
259	N	97.3	Very high	97.7	Very high	83 Å²	83	28.1 Å²	28.1	44%	0.444	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	5.4	176.8	-67.3	-34.7	0	0	0	114.5	S255 A256 F257 E353 Y357	S255-N259 PolarHBondContact O-N 3.36Å; A256-N259 PolarHBondContact O-N 3.34Å; F257-N259 PolarHBondContact O-N 3.27Å; N259-E353 PolarHBondContact ND2-OE1 2.96Å; N259-E353 VanDerWaalsContact ND2-OE1 3.13Å; N259-Y357 HydrophobicContact CB-CD2 4.04Å; N259-Y357 HydrophobicContact CB-CE2 3.66Å; N259-Y357 WeakPolarHBondContact O-CE2 3.25Å
260	L	97.9	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	32.3	-179.5	-68.3	167.9	0	0	0	112.1	I232 F257 E258 Q262 Y263 I265 Y357 I360 L361	I232-L260 HydrophobicContact CD1-CD1 4.35Å; F257-L260 HydrophobicContact CD1-CD1 4.31Å; F257-L260 PolarHBondContact O-N 3.04Å; F257-L260 VanDerWaalsContact O-N 3.12Å; E258-L260 PolarHBondContact O-N 2.84Å; E258-L260 VanDerWaalsContact O-N 3.11Å; L260-Q262 PolarHBondContact O-N 3.1Å; L260-Y263 HydrophobicContact CB-CD2 4.45Å; L260-Y263 HydrophobicContact CD2-CD2 4.23Å; L260-Y263 HydrophobicContact CD2-CE2 4.46Å; L260-Y263 PolarHBondContact O-N 3.15Å; L260-I265 HydrophobicContact CB-CD1 4.04Å; L260-Y357 HydrophobicContact CD1-CD2 4.36Å; L260-Y357 HydrophobicContact CD2-CD2 4.22Å; L260-Y357 HydrophobicContact CD2-CE2 3.67Å; L260-Y357 HydrophobicContact CG-CD2 4.06Å; L260-Y357 HydrophobicContact CG-CE2 3.8Å; L260-I360 HydrophobicContact CD1-CB 4.35Å; L260-I360 HydrophobicContact CD1-CD1 3.63Å; L260-I360 HydrophobicContact CD1-CG2 3.76Å; L260-I360 HydrophobicContact CD2-CG2 4.35Å; L260-L361 HydrophobicContact CD2-CD2 3.95Å
261	S	97.1	Very high	97.6	Very high	80 Å²	80	29.6 Å²	29.6	56%	0.559	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.4	-177.1	58.8	0	0	0	0	115.5	Y263	S261-Y263 PolarHBondContact O-N 2.75Å
262	Q	97.8	Very high	97.6	Very high	64 Å²	64	28.4 Å²	28.4	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.8	171.8	69.4	-82.4	13.4	0	0	114.5	R229 L260	R229-Q262 WeakPolarHBondContact CB-O 3.45Å; R229-Q262 HydrophobicContact CG-CB 4.33Å; R229-Q262 PolarHBondContact N-O 3.27Å; L260-Q262 PolarHBondContact O-N 3.1Å
263	Y	98.5	Very high	97.5	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.047	18%	0.179	C	C	.	.	S	Bend	trans	-118.7	150.7	175.7	-64.5	-78.4	0	0	0	110.3	R229 I232 L260 S261 H281 V300 L364	R229-Y263 HydrophobicContact CB-CD1 3.93Å; R229-Y263 HydrophobicContact CB-CE1 3.62Å; I232-Y263 HydrophobicContact CD1-CD2 4.24Å; I232-Y263 HydrophobicContact CD1-CG 4.03Å; I232-Y263 HydrophobicContact CG1-CG 4.37Å; L260-Y263 HydrophobicContact CB-CD2 4.45Å; L260-Y263 HydrophobicContact CD2-CD2 4.23Å; L260-Y263 HydrophobicContact CD2-CE2 4.46Å; L260-Y263 PolarHBondContact O-N 3.15Å; S261-Y263 PolarHBondContact O-N 2.75Å; Y263-H281 PolarHBondContact O-CD2 2.72Å; Y263-V300 HydrophobicContact CD1-CG2 4.2Å; Y263-V300 HydrophobicContact CE1-CG2 4.22Å; Y263-L364 HydrophobicContact CD2-CD1 4.27Å; Y263-L364 HydrophobicContact CE1-CD1 4.27Å; Y263-L364 HydrophobicContact CE1-CD2 4.49Å; Y263-L364 HydrophobicContact CE2-CD1 3.7Å
264	H	98.6	Very high	97.4	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.3	166.7	-80.5	-168.7	0	0	0	109.7	F222 D225 S228 G230 T231 I232 H281	F222-H264 HydrophobicContact CD1-CB 4.31Å; F222-H264 HydrophobicContact CE1-CB 3.68Å; F222-H264 HydrophobicContact CZ-CB 3.91Å; F222-H264 PolarHBondContact O-CE1 3.03Å; F222-H264 PolarHBondContact O-ND1 3.04Å; D225-H264 WeakPolarHBondContact CB-CE1 3.24Å; D225-H264 IonicContact OD2-CE1 2.68Å; D225-H264 PolarHBondContact OD2-CE1 2.87Å; D225-H264 VanDerWaalsContact OD2-CE1 3.24Å; D225-H264 IonicContact OD2-NE2 3.56Å; S228-H264 PolarHBondContact OG-N 3.28Å; S228-H264 VanDerWaalsContact OG-N 3.1Å; G230-H264 PolarHBondContact O-N 2.99Å; T231-H264 CarbonylContact C-O 3.47Å; T231-H264 WeakPolarHBondContact CA-O 3.3Å; I232-H264 PolarHBondContact N-O 3.1Å; H264-H281 CarbonylContact C-O 3.57Å; H264-H281 WeakPolarHBondContact CA-O 3.24Å
265	I	98.8	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.9	-172.6	-61.4	165.7	0	0	0	108.2	I232 F257 L260 H281 L282 R283	I232-I265 HydrophobicContact CB-CG1 4.09Å; I232-I265 HydrophobicContact CD1-CG1 4.25Å; I232-I265 CarbonylContact O-C 3.59Å; I232-I265 VanDerWaalsContact O-CA 3.31Å; I232-I265 WeakPolarHBondContact O-CA 3.28Å; F257-I265 HydrophobicContact CB-CD1 3.77Å; F257-I265 HydrophobicContact CD1-CD1 3.64Å; F257-I265 HydrophobicContact CD1-CG2 4.22Å; F257-I265 HydrophobicContact CD2-CG2 4.11Å; F257-I265 HydrophobicContact CE1-CD1 4.37Å; F257-I265 HydrophobicContact CE1-CG2 4.11Å; F257-I265 HydrophobicContact CE2-CG2 4.01Å; F257-I265 HydrophobicContact CG-CD1 3.83Å; F257-I265 HydrophobicContact CG-CG2 4.22Å; F257-I265 HydrophobicContact CZ-CG2 4.01Å; L260-I265 HydrophobicContact CB-CD1 4.04Å; I265-H281 PolarHBondContact N-O 3.5Å; I265-L282 HydrophobicContact CB-CD2 3.47Å; I265-L282 VanDerWaalsContact CB-CD2 3.47Å; I265-L282 HydrophobicContact CD1-CD2 3.81Å; I265-L282 HydrophobicContact CG1-CD2 4.19Å; I265-L282 HydrophobicContact CG2-CD2 3.62Å; I265-R283 PolarHBondContact O-N 2.81Å
266	V	98.6	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.7	172.6	-178.7	0	0	0	0	108.3	Y219 F222 T231 I232 V233 F234 R283 I288 L293	Y219-V266 HydrophobicContact CE1-CG1 4.03Å; F222-V266 HydrophobicContact CD1-CG2 3.96Å; F222-V266 HydrophobicContact CE1-CG2 3.66Å; T231-V266 HydrophobicContact CG2-CG2 4.04Å; I232-V266 PolarHBondContact O-N 3.46Å; V233-V266 CarbonylContact C-O 3.4Å; F234-V266 PolarHBondContact N-O 3.27Å; V266-R283 CarbonylContact C-O 3.54Å; V266-R283 WeakPolarHBondContact CA-O 3.5Å; V266-R283 HydrophobicContact CG2-CB 4.43Å; V266-I288 HydrophobicContact CG1-CB 4.28Å; V266-I288 HydrophobicContact CG1-CD1 4.19Å; V266-I288 HydrophobicContact CG1-CG2 3.82Å; V266-L293 HydrophobicContact CB-CD1 4.36Å; V266-L293 HydrophobicContact CG1-CD1 3.75Å; V266-L293 HydrophobicContact CG2-CD2 4.25Å
267	W	98.1	Very high	97	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.7	-177.1	-177.2	9.2	0	0	0	111.3	F234 W242 I250 I253 F257 F269 V276 R283 I284 E285	F234-W267 HydrophobicContact CB-CB 4.35Å; F234-W267 HydrophobicContact CB-CG 4.3Å; F234-W267 AromaticContact CD1-CD1 3.29Å; F234-W267 AromaticContact CD1-CD2 3.95Å; F234-W267 HydrophobicContact CD1-CD2 3.95Å; F234-W267 AromaticContact CD1-CE2 3.73Å; F234-W267 AromaticContact CD1-CG 3.72Å; F234-W267 HydrophobicContact CD1-CG 3.72Å; F234-W267 HydrophobicContact CD1-CZ2 4.5Å; F234-W267 AromaticContact CD1-NE1 3.32Å; F234-W267 VanDerWaalsContact CD1-NE1 3.32Å; F234-W267 AromaticContact CE1-CD1 3.96Å; F234-W267 HydrophobicContact CE1-CD2 4.41Å; F234-W267 AromaticContact CE1-CE2 3.77Å; F234-W267 HydrophobicContact CE1-CZ2 4.14Å; F234-W267 AromaticContact CE1-NE1 3.48Å; F234-W267 AromaticContact CG-CD1 3.73Å; F234-W267 HydrophobicContact CG-CG 4.32Å; W242-W267 HydrophobicContact CD2-CZ2 4.47Å; W242-W267 AromaticContact CE2-NE1 3.57Å; W242-W267 HydrophobicContact CE3-CZ2 4.16Å; W242-W267 AromaticContact CH2-CZ2 3.77Å; W242-W267 HydrophobicContact CH2-CZ2 3.77Å; W242-W267 AromaticContact CH2-NE1 3.79Å; W242-W267 AromaticContact CZ2-CE2 3.98Å; W242-W267 HydrophobicContact CZ2-CZ2 4.08Å; W242-W267 AromaticContact CZ2-NE1 3.24Å; W242-W267 AromaticContact CZ3-CZ2 3.81Å; W242-W267 HydrophobicContact CZ3-CZ2 3.81Å; W242-W267 AromaticContact NE1-NE1 3.98Å; I250-W267 HydrophobicContact CG2-CH2 4.14Å; I253-W267 HydrophobicContact CB-CH2 4.18Å; I253-W267 HydrophobicContact CG2-CE3 4.5Å; I253-W267 HydrophobicContact CG2-CH2 3.51Å; I253-W267 HydrophobicContact CG2-CZ2 3.77Å; I253-W267 HydrophobicContact CG2-CZ3 3.91Å; F257-W267 AromaticContact CD2-CE3 3.86Å; F257-W267 HydrophobicContact CD2-CE3 3.86Å; F257-W267 HydrophobicContact CD2-CZ3 4.14Å; F257-W267 AromaticContact CE2-CD2 3.89Å; F257-W267 HydrophobicContact CE2-CD2 3.89Å; F257-W267 AromaticContact CE2-CE3 3.64Å; F257-W267 HydrophobicContact CE2-CE3 3.64Å; F257-W267 HydrophobicContact CE2-CG 4.28Å; F257-W267 HydrophobicContact CE2-CZ3 4.12Å; W267-F269 HydrophobicContact CD2-CB 4.15Å; W267-F269 AromaticContact CE2-CD2 3.77Å; W267-F269 HydrophobicContact CG-CB 4.16Å; W267-F269 HydrophobicContact CH2-CD2 4.17Å; W267-F269 HydrophobicContact CH2-CE2 4.34Å; W267-F269 AromaticContact CZ2-CD2 3.55Å; W267-F269 HydrophobicContact CZ2-CD2 3.55Å; W267-F269 HydrophobicContact CZ2-CE2 4.02Å; W267-F269 HydrophobicContact CZ2-CG 4.32Å; W267-F269 PolarHBondContact O-N 3.47Å; W267-V276 HydrophobicContact CH2-CG1 3.88Å; W267-V276 HydrophobicContact CZ3-CB 4.28Å; W267-V276 HydrophobicContact CZ3-CG1 3.74Å; W267-R283 PolarHBondContact N-O 3.06Å; W267-I284 HydrophobicContact CB-CG1 4.37Å; W267-I284 HydrophobicContact CE3-CD1 4Å; W267-I284 HydrophobicContact CE3-CG1 4.36Å; W267-I284 HydrophobicContact CZ3-CD1 4.48Å; W267-I284 WeakPolarHBondContact O-CA 3.48Å; W267-E285 PolarHBondContact O-N 2.91Å
268	Q	97.6	Very high	96.8	Very high	16 Å²	16	44 Å²	44	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.6	167.9	-171.6	175.4	11.2	0	0	110.7	F234 S235 W242 E285 P286 I288	F234-Q268 PolarHBondContact O-N 3.12Å; S235-Q268 PolarHBondContact OG-OE1 3.46Å; W242-Q268 PolarHBondContact NE1-O 2.9Å; Q268-E285 CarbonylContact C-O 3.56Å; Q268-E285 VanDerWaalsContact CA-O 3.24Å; Q268-E285 WeakPolarHBondContact CA-O 3.31Å; Q268-P286 WeakPolarHBondContact CG-O 3.28Å; Q268-P286 PolarHBondContact NE2-O 2.68Å; Q268-I288 HydrophobicContact CB-CD1 3.95Å; Q268-I288 HydrophobicContact CB-CG1 4.05Å; Q268-I288 HydrophobicContact CB-CG2 4.18Å; Q268-I288 HydrophobicContact CG-CG1 4.49Å
269	F	97.1	Very high	96.8	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.031	25%	0.249	C	C	.	.			trans	-146.8	123.9	-172.4	179.1	-98.8	0	0	0	111.3	W242 I250 W267 G271 N272 I273 V276 I284 E285 P286	W242-F269 HydrophobicContact CB-CD2 3.61Å; W242-F269 HydrophobicContact CB-CE2 3.59Å; W242-F269 HydrophobicContact CB-CG 4.47Å; W242-F269 HydrophobicContact CB-CZ 4.44Å; W242-F269 AromaticContact CD1-CD2 3.94Å; W242-F269 AromaticContact CD2-CD2 3.54Å; W242-F269 HydrophobicContact CD2-CD2 3.54Å; W242-F269 AromaticContact CD2-CE2 3.95Å; W242-F269 HydrophobicContact CD2-CE2 3.95Å; W242-F269 AromaticContact CE3-CD2 3.93Å; W242-F269 HydrophobicContact CE3-CD2 3.93Å; W242-F269 AromaticContact CE3-CE2 3.94Å; W242-F269 HydrophobicContact CE3-CE2 3.94Å; W242-F269 AromaticContact CG-CD2 3.42Å; W242-F269 HydrophobicContact CG-CD2 3.42Å; W242-F269 VanDerWaalsContact CG-CD2 3.42Å; W242-F269 AromaticContact CG-CE2 3.85Å; W242-F269 HydrophobicContact CG-CE2 3.85Å; W242-F269 HydrophobicContact CG-CG 4.31Å; I250-F269 HydrophobicContact CD1-CE2 4.1Å; I250-F269 HydrophobicContact CD1-CZ 4.33Å; I250-F269 HydrophobicContact CG1-CE2 4.26Å; I250-F269 HydrophobicContact CG2-CE2 3.89Å; I250-F269 HydrophobicContact CG2-CZ 3.98Å; W267-F269 HydrophobicContact CD2-CB 4.15Å; W267-F269 AromaticContact CE2-CD2 3.77Å; W267-F269 HydrophobicContact CG-CB 4.16Å; W267-F269 HydrophobicContact CH2-CD2 4.17Å; W267-F269 HydrophobicContact CH2-CE2 4.34Å; W267-F269 AromaticContact CZ2-CD2 3.55Å; W267-F269 HydrophobicContact CZ2-CD2 3.55Å; W267-F269 HydrophobicContact CZ2-CE2 4.02Å; W267-F269 HydrophobicContact CZ2-CG 4.32Å; W267-F269 PolarHBondContact O-N 3.47Å; F269-G271 WeakPolarHBondContact CE1-O 3.25Å; F269-G271 VanDerWaalsContact CZ-CA 3.44Å; F269-N272 WeakPolarHBondContact CE1-O 3.41Å; F269-I273 HydrophobicContact CD1-CD1 4.38Å; F269-V276 HydrophobicContact CE1-CG1 4.16Å; F269-V276 HydrophobicContact CE1-CG2 4.48Å; F269-V276 HydrophobicContact CE2-CG1 4.44Å; F269-V276 HydrophobicContact CZ-CG1 3.99Å; F269-I284 HydrophobicContact CB-CG2 3.55Å; F269-I284 HydrophobicContact CD1-CG2 3.79Å; F269-I284 HydrophobicContact CG-CG2 4.01Å; F269-E285 PolarHBondContact N-O 3.08Å; F269-E285 CarbonylContact O-C 3.56Å; F269-P286 VanDerWaalsContact O-CA 3.31Å; F269-P286 WeakPolarHBondContact O-CA 3.48Å
270	N	95.5	Very high	96.7	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.294	27%	0.265	S	S	.	.			trans	-113.2	11	179.3	72.6	-37.3	0	0	0	112.9	D241 W242 K243 P286	D241-N270 PolarHBondContact OD1-ND2 3.43Å; D241-N270 PolarHBondContact OD1-OD1 2.78Å; W242-N270 VanDerWaalsContact CB-OD1 3.3Å; W242-N270 WeakPolarHBondContact CB-OD1 3.42Å; W242-N270 PolarHBondContact N-OD1 2.95Å; K243-N270 WeakPolarHBondContact CE-O 3.42Å; N270-P286 HydrophobicContact CB-CB 4.24Å
271	G	95.5	Very high	96.7	Very high	18 Å²	18	43.1 Å²	43.1	19%	0.186	27%	0.269	C	S	.	.	S	Bend	trans	-84.6	-160.8	-179.3	0	0	0	0	0	112.8	F269 I273	F269-G271 WeakPolarHBondContact CE1-O 3.25Å; F269-G271 VanDerWaalsContact CZ-CA 3.44Å; G271-I273 PolarHBondContact O-N 3.21Å
272	N	95.4	Very high	96.8	Very high	88 Å²	88	40.1 Å²	40.1	47%	0.471	25%	0.247	S	C	.	.			trans	-73.7	112.3	179.1	-177.6	6.7	0	0	0	111.4	F269 S274 I275	F269-N272 WeakPolarHBondContact CE1-O 3.41Å; N272-S274 VanDerWaalsContact CG-OG 3.32Å; N272-S274 PolarHBondContact ND2-OG 3.33Å; N272-S274 PolarHBondContact O-N 3.07Å; N272-S274 PolarHBondContact OD1-N 3Å; N272-S274 PolarHBondContact OD1-OG 3.4Å; N272-I275 HydrophobicContact CB-CD1 4.43Å; N272-I275 HydrophobicContact CB-CG1 4.17Å; N272-I275 WeakPolarHBondContact O-CG1 3.31Å
273	I	95.8	Very high	96.7	Very high	103 Å²	103	39.8 Å²	39.8	53%	0.528	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-69	-20	-179.6	-157.8	73	0	0	0	113.1	F269 G271 I275 V276 I284	F269-I273 HydrophobicContact CD1-CD1 4.38Å; G271-I273 PolarHBondContact O-N 3.21Å; I273-I275 PolarHBondContact O-N 3.23Å; I273-V276 HydrophobicContact CD1-CG2 3.59Å; I273-V276 HydrophobicContact CG1-CG2 4.05Å; I273-V276 VanDerWaalsContact O-CG2 3.24Å; I273-V276 WeakPolarHBondContact O-CG2 3.38Å; I273-V276 PolarHBondContact O-N 3.29Å; I273-I284 HydrophobicContact CD1-CB 3.94Å; I273-I284 HydrophobicContact CD1-CD1 4.49Å; I273-I284 HydrophobicContact CD1-CG2 3.6Å
274	S	95	Very high	96.7	Very high	94 Å²	94	40.8 Å²	40.8	66%	0.657	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-73.8	-9.8	-177.1	72.3	0	0	0	0	114.4	N272	N272-S274 VanDerWaalsContact CG-OG 3.32Å; N272-S274 PolarHBondContact ND2-OG 3.33Å; N272-S274 PolarHBondContact O-N 3.07Å; N272-S274 PolarHBondContact OD1-N 3Å; N272-S274 PolarHBondContact OD1-OG 3.4Å
275	I	95.3	Very high	96.5	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.205	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-106.9	4.4	179.5	61.9	163.1	0	0	0	113.3	T247 I250 N272 I273	T247-I275 HydrophobicContact CG2-CD1 4Å; I250-I275 HydrophobicContact CB-CD1 3.94Å; I250-I275 HydrophobicContact CD1-CD1 3.85Å; I250-I275 HydrophobicContact CG2-CD1 3.64Å; I250-I275 HydrophobicContact CG2-CG1 4.01Å; N272-I275 HydrophobicContact CB-CD1 4.43Å; N272-I275 HydrophobicContact CB-CG1 4.17Å; N272-I275 WeakPolarHBondContact O-CG1 3.31Å; I273-I275 PolarHBondContact O-N 3.23Å
276	V	97.1	Very high	96.3	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.109	28%	0.283	C	S	.	.	S	Bend	trans	-114	158.1	175.3	-60.3	0	0	0	0	110.5	I250 S254 W267 F269 I273 I284	I250-V276 HydrophobicContact CG2-CG1 3.5Å; I250-V276 VanDerWaalsContact CG2-CG1 3.5Å; S254-V276 WeakPolarHBondContact OG-CA 3.39Å; W267-V276 HydrophobicContact CH2-CG1 3.88Å; W267-V276 HydrophobicContact CZ3-CB 4.28Å; W267-V276 HydrophobicContact CZ3-CG1 3.74Å; F269-V276 HydrophobicContact CE1-CG1 4.16Å; F269-V276 HydrophobicContact CE1-CG2 4.48Å; F269-V276 HydrophobicContact CE2-CG1 4.44Å; F269-V276 HydrophobicContact CZ-CG1 3.99Å; I273-V276 HydrophobicContact CD1-CG2 3.59Å; I273-V276 HydrophobicContact CG1-CG2 4.05Å; I273-V276 VanDerWaalsContact O-CG2 3.24Å; I273-V276 WeakPolarHBondContact O-CG2 3.38Å; I273-V276 PolarHBondContact O-N 3.29Å; V276-I284 HydrophobicContact CB-CD1 3.94Å; V276-I284 HydrophobicContact CG2-CD1 3.53Å
277	S	94.5	Very high	96.1	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.084	31%	0.314	C	S	.	.			trans	-64.3	144	179.6	-171.7	0	0	0	0	111.7	S254 E258 S279	S254-S277 PolarHBondContact OG-N 3.32Å; E258-S277 WeakPolarHBondContact CG-OG 3.3Å; E258-S277 WeakPolarHBondContact OE1-CB 3.23Å; E258-S277 PolarHBondContact OE1-OG 3.31Å; S277-S279 PolarHBondContact OG-N 3.21Å; S277-S279 PolarHBondContact OG-OG 2.88Å
278	S	94.1	Very high	96	Very high	125 Å²	125	54.7 Å²	54.7	87%	0.874	32%	0.315	S	S	*	.			trans	-103	17.5	173.3	57.5	0	0	0	0	112.9
279	S	96.7	Very high	95.9	Very high	40 Å²	40	55.8 Å²	55.8	28%	0.28	32%	0.323	S	S	.	.			trans	-59.1	143.1	-179.5	-60.5	0	0	0	0	112	S277 H281 L282	S277-S279 PolarHBondContact OG-N 3.21Å; S277-S279 PolarHBondContact OG-OG 2.88Å; S279-H281 WeakPolarHBondContact CB-CE1 3.28Å; S279-H281 VanDerWaalsContact CB-ND1 3.27Å; S279-H281 WeakPolarHBondContact CB-ND1 3.35Å; S279-H281 PolarHBondContact O-N 3.28Å; S279-H281 VanDerWaalsContact O-N 3.13Å; S279-L282 WeakPolarHBondContact O-CB 3.15Å; S279-L282 PolarHBondContact O-N 3.37Å
280	A	96.1	Very high	95.8	Very high	95 Å²	95	56.3 Å²	56.3	79%	0.785	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.3	-173.1	0	0	0	0	0	114.4	F222 L282	F222-A280 WeakPolarHBondContact CE2-O 3.47Å; A280-L282 PolarHBondContact O-N 3.1Å
281	H	97.8	Very high	95.8	Very high	19 Å²	19	55.7 Å²	55.7	9%	0.088	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.8	175.5	71.4	-70.2	0	0	0	113.2	F222 F257 Y263 H264 I265 S279	F222-H281 WeakPolarHBondContact CZ-O 3.38Å; F257-H281 PolarHBondContact O-NE2 2.98Å; Y263-H281 PolarHBondContact O-CD2 2.72Å; H264-H281 CarbonylContact C-O 3.57Å; H264-H281 WeakPolarHBondContact CA-O 3.24Å; I265-H281 PolarHBondContact N-O 3.5Å; S279-H281 WeakPolarHBondContact CB-CE1 3.28Å; S279-H281 VanDerWaalsContact CB-ND1 3.27Å; S279-H281 WeakPolarHBondContact CB-ND1 3.35Å; S279-H281 PolarHBondContact O-N 3.28Å; S279-H281 VanDerWaalsContact O-N 3.13Å
282	L	98.1	Very high	95.8	Very high	17 Å²	17	55.5 Å²	55.5	9%	0.089	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.6	177.4	-69.7	167.4	0	0	0	110.4	F257 I265 S279 A280 I284	F257-L282 HydrophobicContact CB-CD1 4.22Å; F257-L282 HydrophobicContact CB-CD2 3.67Å; F257-L282 HydrophobicContact CD2-CD2 3.98Å; F257-L282 HydrophobicContact CG-CD2 4.05Å; I265-L282 HydrophobicContact CB-CD2 3.47Å; I265-L282 VanDerWaalsContact CB-CD2 3.47Å; I265-L282 HydrophobicContact CD1-CD2 3.81Å; I265-L282 HydrophobicContact CG1-CD2 4.19Å; I265-L282 HydrophobicContact CG2-CD2 3.62Å; S279-L282 WeakPolarHBondContact O-CB 3.15Å; S279-L282 PolarHBondContact O-N 3.37Å; A280-L282 PolarHBondContact O-N 3.1Å; L282-I284 HydrophobicContact CB-CD1 4.49Å; L282-I284 HydrophobicContact CB-CG1 4.34Å
283	R	97.3	Very high	96	Very high	58 Å²	58	51.3 Å²	51.3	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.4	169.2	-172.8	171	-169.3	101.7	7	109.2	F222 I265 V266 W267 E285	F222-R283 HydrophobicContact CD1-CB 4.26Å; F222-R283 HydrophobicContact CD2-CB 4.4Å; F222-R283 HydrophobicContact CE1-CB 3.78Å; F222-R283 HydrophobicContact CE2-CB 3.93Å; F222-R283 HydrophobicContact CZ-CB 3.59Å; I265-R283 PolarHBondContact O-N 2.81Å; V266-R283 CarbonylContact C-O 3.54Å; V266-R283 WeakPolarHBondContact CA-O 3.5Å; V266-R283 HydrophobicContact CG2-CB 4.43Å; W267-R283 PolarHBondContact N-O 3.06Å; R283-E285 HydrophobicContact CG-CG 4.44Å; R283-E285 IonicContact CZ-OE1 3.95Å; R283-E285 IonicContact NE-OE1 2.79Å; R283-E285 PolarHBondContact NE-OE1 3.35Å; R283-E285 IonicContact NH2-OE1 2.71Å; R283-E285 PolarHBondContact NH2-OE1 3.25Å
284	I	97.4	Very high	96.1	Very high	32 Å²	32	46.4 Å²	46.4	16%	0.164	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.6	-174.6	-52.3	-177.9	0	0	0	108.8	W267 F269 I273 V276 L282	W267-I284 HydrophobicContact CB-CG1 4.37Å; W267-I284 HydrophobicContact CE3-CD1 4Å; W267-I284 HydrophobicContact CE3-CG1 4.36Å; W267-I284 HydrophobicContact CZ3-CD1 4.48Å; W267-I284 WeakPolarHBondContact O-CA 3.48Å; F269-I284 HydrophobicContact CB-CG2 3.55Å; F269-I284 HydrophobicContact CD1-CG2 3.79Å; F269-I284 HydrophobicContact CG-CG2 4.01Å; I273-I284 HydrophobicContact CD1-CB 3.94Å; I273-I284 HydrophobicContact CD1-CD1 4.49Å; I273-I284 HydrophobicContact CD1-CG2 3.6Å; V276-I284 HydrophobicContact CB-CD1 3.94Å; V276-I284 HydrophobicContact CG2-CD1 3.53Å; L282-I284 HydrophobicContact CB-CD1 4.49Å; L282-I284 HydrophobicContact CB-CG1 4.34Å
285	E	95.6	Very high	96.1	Very high	48 Å²	48	46.5 Å²	46.5	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.9	-176.7	-70.6	-171.5	-164.3	0	0	111.6	Y219 W267 Q268 F269 R283 W287 I288	Y219-E285 PolarHBondContact OH-OE2 2.87Å; W267-E285 PolarHBondContact O-N 2.91Å; Q268-E285 CarbonylContact C-O 3.56Å; Q268-E285 VanDerWaalsContact CA-O 3.24Å; Q268-E285 WeakPolarHBondContact CA-O 3.31Å; F269-E285 PolarHBondContact N-O 3.08Å; F269-E285 CarbonylContact O-C 3.56Å; R283-E285 HydrophobicContact CG-CG 4.44Å; R283-E285 IonicContact CZ-OE1 3.95Å; R283-E285 IonicContact NE-OE1 2.79Å; R283-E285 PolarHBondContact NE-OE1 3.35Å; R283-E285 IonicContact NH2-OE1 2.71Å; R283-E285 PolarHBondContact NH2-OE1 3.25Å; E285-W287 PolarHBondContact O-N 3.06Å; E285-I288 HydrophobicContact CB-CG2 4.2Å
286	P	94.4	Very high	96.2	Very high	90 Å²	90	46.3 Å²	46.3	58%	0.584	26%	0.262	S	S	*	.	S	Bend	trans	-65.6	-25.7	176.9	26.7	-34.9	0	0	0	113	Q268 F269 N270	Q268-P286 WeakPolarHBondContact CG-O 3.28Å; Q268-P286 PolarHBondContact NE2-O 2.68Å; F269-P286 VanDerWaalsContact O-CA 3.31Å; F269-P286 WeakPolarHBondContact O-CA 3.48Å; N270-P286 HydrophobicContact CB-CB 4.24Å
287	W	93.6	Very high	96.1	Very high	170 Å²	170	50.8 Å²	50.8	64%	0.644	29%	0.294	S	S	*	.	S	Bend	trans	-142.1	138.9	178.5	-164.6	-97.4	0	0	0	110.7	H238 E285	H238-W287 HydrophobicContact CB-CZ3 4.35Å; E285-W287 PolarHBondContact O-N 3.06Å
288	I	95.8	Very high	96.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	30%	0.302	C	S	.	.			trans	-130.3	151	-177.2	67.6	173	0	0	0	110.5	V233 V266 Q268 E285 L290 L293	V233-I288 HydrophobicContact CG1-CD1 3.83Å; V266-I288 HydrophobicContact CG1-CB 4.28Å; V266-I288 HydrophobicContact CG1-CD1 4.19Å; V266-I288 HydrophobicContact CG1-CG2 3.82Å; Q268-I288 HydrophobicContact CB-CD1 3.95Å; Q268-I288 HydrophobicContact CB-CG1 4.05Å; Q268-I288 HydrophobicContact CB-CG2 4.18Å; Q268-I288 HydrophobicContact CG-CG1 4.49Å; E285-I288 HydrophobicContact CB-CG2 4.2Å; I288-L290 HydrophobicContact CD1-CB 4.5Å; I288-L290 HydrophobicContact CD1-CD1 4.25Å; I288-L290 HydrophobicContact CG1-CB 4.22Å; I288-L290 PolarHBondContact O-N 3.24Å; I288-L293 HydrophobicContact CB-CD1 3.93Å; I288-L293 HydrophobicContact CD1-CD1 3.9Å; I288-L293 HydrophobicContact CG1-CD1 4.17Å
289	P	95.7	Very high	96.5	Very high	40 Å²	40	47.3 Å²	47.3	26%	0.26	26%	0.261	S	S	.	.			trans	-76.7	66.8	174.5	32.7	-34.6	0	0	0	110.5	L215 Y219 S292 L293	L215-P289 HydrophobicContact CD2-CB 4.5Å; L215-P289 HydrophobicContact CD2-CG 3.88Å; Y219-P289 HydrophobicContact CD1-CG 4.38Å; Y219-P289 HydrophobicContact CD2-CG 3.78Å; Y219-P289 HydrophobicContact CE1-CG 4.32Å; Y219-P289 VanDerWaalsContact CE2-CD 3.45Å; Y219-P289 HydrophobicContact CE2-CG 3.78Å; Y219-P289 HydrophobicContact CG-CG 4.1Å; Y219-P289 WeakPolarHBondContact OH-CD 3.19Å; P289-S292 WeakPolarHBondContact O-CB 3.15Å; P289-S292 PolarHBondContact O-N 3.41Å; P289-L293 HydrophobicContact CG-CD1 4.25Å; P289-L293 HydrophobicContact CG-CG 4.22Å; P289-L293 PolarHBondContact O-N 2.94Å
290	L	95.6	Very high	96.6	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-51.8	-50.4	-168.7	177.2	67.5	0	0	0	113.6	V233 I288 S292 L293 L294 F302	V233-L290 HydrophobicContact CG1-CD1 3.68Å; I288-L290 HydrophobicContact CD1-CB 4.5Å; I288-L290 HydrophobicContact CD1-CD1 4.25Å; I288-L290 HydrophobicContact CG1-CB 4.22Å; I288-L290 PolarHBondContact O-N 3.24Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.19Å; L290-L293 PolarHBondContact O-N 3.45Å; L290-L294 HydrophobicContact CD1-CD1 3.86Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CG-CD1 3.98Å; L290-L294 HydrophobicContact CG-CG 4.28Å; L290-L294 WeakPolarHBondContact O-CG 3.3Å; L290-L294 PolarHBondContact O-N 2.79Å; L290-F302 HydrophobicContact CD1-CD2 4.45Å; L290-F302 HydrophobicContact CD1-CE2 3.72Å; L290-F302 HydrophobicContact CD1-CZ 3.91Å; L290-F302 HydrophobicContact CD2-CZ 4.06Å
291	P	94.8	Very high	96.7	Very high	41 Å²	41	43 Å²	43	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-39	179.1	-25.4	36.1	0	0	0	113	A212 L294 Q295 F317	A212-P291 HydrophobicContact CB-CB 3.71Å; A212-P291 WeakPolarHBondContact CB-O 3.32Å; P291-L294 PolarHBondContact O-N 3.21Å; P291-Q295 VanDerWaalsContact O-CB 3.3Å; P291-Q295 WeakPolarHBondContact O-CB 3.46Å; P291-Q295 PolarHBondContact O-N 3.03Å; P291-F317 HydrophobicContact CB-CE2 4.25Å
292	S	96.8	Very high	96.8	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-38.3	179.8	-56.6	0	0	0	0	112	A213 L215 P289 L290 H296	A213-S292 VanDerWaalsContact O-CB 3.23Å; A213-S292 WeakPolarHBondContact O-CB 3.36Å; A213-S292 PolarHBondContact O-OG 3.45Å; L215-S292 VanDerWaalsContact CD2-CB 3.45Å; P289-S292 WeakPolarHBondContact O-CB 3.15Å; P289-S292 PolarHBondContact O-N 3.41Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.19Å; S292-H296 PolarHBondContact O-N 3.27Å
293	L	98	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-47	174.7	-71.8	166.1	0	0	0	110.9	L215 Y219 V223 V233 V266 I288 P289 L290 Q295 H296 T299	L215-L293 HydrophobicContact CD1-CD2 4.33Å; L215-L293 HydrophobicContact CD2-CD2 3.92Å; L215-L293 HydrophobicContact CD2-CG 4.03Å; Y219-L293 HydrophobicContact CD1-CD2 3.98Å; Y219-L293 HydrophobicContact CE1-CD1 4.34Å; V223-L293 HydrophobicContact CG2-CD2 3.83Å; V233-L293 HydrophobicContact CG1-CD1 4.46Å; V233-L293 HydrophobicContact CG2-CB 3.94Å; V266-L293 HydrophobicContact CB-CD1 4.36Å; V266-L293 HydrophobicContact CG1-CD1 3.75Å; V266-L293 HydrophobicContact CG2-CD2 4.25Å; I288-L293 HydrophobicContact CB-CD1 3.93Å; I288-L293 HydrophobicContact CD1-CD1 3.9Å; I288-L293 HydrophobicContact CG1-CD1 4.17Å; P289-L293 HydrophobicContact CG-CD1 4.25Å; P289-L293 HydrophobicContact CG-CG 4.22Å; P289-L293 PolarHBondContact O-N 2.94Å; L290-L293 PolarHBondContact O-N 3.45Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.43Å; L293-H296 WeakPolarHBondContact O-CB 3.45Å; L293-H296 PolarHBondContact O-N 3.26Å; L293-T299 WeakPolarHBondContact O-CB 3.29Å; L293-T299 PolarHBondContact O-OG1 3.37Å
294	L	97.9	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-35.9	179.2	-66.4	-178.9	0	0	0	112.5	V233 L290 P291 H296 T299 F302 E313 F317 V319	V233-L294 HydrophobicContact CB-CD2 4.34Å; L290-L294 HydrophobicContact CD1-CD1 3.86Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CG-CD1 3.98Å; L290-L294 HydrophobicContact CG-CG 4.28Å; L290-L294 WeakPolarHBondContact O-CG 3.3Å; L290-L294 PolarHBondContact O-N 2.79Å; P291-L294 PolarHBondContact O-N 3.21Å; L294-H296 PolarHBondContact O-N 3.26Å; L294-T299 HydrophobicContact CD2-CG2 4.34Å; L294-F302 HydrophobicContact CD1-CD1 4.1Å; L294-F302 HydrophobicContact CD1-CE1 3.97Å; L294-F302 HydrophobicContact CD1-CZ 4.33Å; L294-F302 HydrophobicContact CD2-CB 3.8Å; L294-F302 HydrophobicContact CD2-CD1 4.01Å; L294-F302 HydrophobicContact CD2-CD2 3.92Å; L294-F302 HydrophobicContact CD2-CE2 4.49Å; L294-F302 HydrophobicContact CD2-CG 3.66Å; L294-E313 HydrophobicContact CD1-CB 3.89Å; L294-F317 HydrophobicContact CB-CB 4.19Å; L294-F317 HydrophobicContact CB-CD2 3.52Å; L294-F317 HydrophobicContact CB-CE2 4.27Å; L294-F317 HydrophobicContact CB-CG 4.19Å; L294-F317 HydrophobicContact CD1-CD2 4.46Å; L294-F317 WeakPolarHBondContact O-CB 3.28Å; L294-V319 HydrophobicContact CB-CG2 4.49Å; L294-V319 HydrophobicContact CD2-CB 4.47Å; L294-V319 HydrophobicContact CD2-CG1 4.39Å; L294-V319 HydrophobicContact CD2-CG2 4.39Å; L294-V319 VanDerWaalsContact O-CG2 3.31Å; L294-V319 WeakPolarHBondContact O-CG2 3.33Å
295	Q	96.2	Very high	96.8	Very high	96 Å²	96	37.6 Å²	37.6	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-67.1	-22.8	176.3	-172.6	176.2	58.2	0	0	113.1	A212 P291 L293 F317	A212-Q295 HydrophobicContact CB-CB 4.24Å; P291-Q295 VanDerWaalsContact O-CB 3.3Å; P291-Q295 WeakPolarHBondContact O-CB 3.46Å; P291-Q295 PolarHBondContact O-N 3.03Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.43Å; Q295-F317 HydrophobicContact CB-CD1 3.74Å; Q295-F317 HydrophobicContact CB-CE1 3.73Å; Q295-F317 HydrophobicContact CB-CG 4.19Å; Q295-F317 HydrophobicContact CB-CZ 4.15Å; Q295-F317 HydrophobicContact CG-CD1 3.93Å; Q295-F317 HydrophobicContact CG-CE1 3.87Å
296	H	97.1	Very high	96.7	Very high	36 Å²	36	35.3 Å²	35.3	17%	0.167	19%	0.189	C	C	.	.	S	Bend	trans	-68.2	135.7	-174.7	-163.6	-83.7	0	0	0	112.2	L215 V223 E224 S292 L293 L294 K298 T299	L215-H296 HydrophobicContact CD1-CB 4.37Å; V223-H296 HydrophobicContact CG1-CB 4.3Å; V223-H296 VanDerWaalsContact CG1-CE1 3.46Å; V223-H296 WeakPolarHBondContact CG1-CE1 3.49Å; V223-H296 WeakPolarHBondContact CG1-ND1 3.43Å; E224-H296 IonicContact OE1-NE2 2.59Å; S292-H296 PolarHBondContact O-N 3.27Å; L293-H296 WeakPolarHBondContact O-CB 3.45Å; L293-H296 PolarHBondContact O-N 3.26Å; L294-H296 PolarHBondContact O-N 3.26Å; H296-K298 VanDerWaalsContact C-N 3.26Å; H296-K298 PolarHBondContact ND1-N 3.49Å; H296-K298 VanDerWaalsContact ND1-N 3.2Å; H296-K298 PolarHBondContact O-N 3.47Å; H296-T299 WeakPolarHBondContact O-CB 3.33Å; H296-T299 PolarHBondContact O-N 3.02Å
297	S	95.8	Very high	96.5	Very high	111 Å²	111	31.4 Å²	31.4	78%	0.776	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.7	-173.8	58.8	0	0	0	0	114.4	T299	S297-T299 VanDerWaalsContact C-N 3.3Å
298	K	97.5	Very high	96.2	Very high	62 Å²	62	24.5 Å²	24.5	27%	0.27	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.1	174.7	-75.7	-155.7	173.3	-177.6	0	114.4	V223 E224 D225 G230 T231 H296 V300	V223-K298 HydrophobicContact CG1-CB 4.13Å; V223-K298 WeakPolarHBondContact O-CD 3.36Å; E224-K298 PolarHBondContact O-NZ 3.32Å; D225-K298 PolarHBondContact O-NZ 2.83Å; G230-K298 CarbonylContact C-O 3.44Å; G230-K298 VanDerWaalsContact CA-O 3.3Å; G230-K298 WeakPolarHBondContact CA-O 3.45Å; T231-K298 PolarHBondContact N-O 2.84Å; H296-K298 VanDerWaalsContact C-N 3.26Å; H296-K298 PolarHBondContact ND1-N 3.49Å; H296-K298 VanDerWaalsContact ND1-N 3.2Å; H296-K298 PolarHBondContact O-N 3.47Å; K298-V300 PolarHBondContact O-N 3.46Å
299	T	98.5	Very high	95.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.4	177.2	-62.5	0	0	0	0	110.5	T231 V233 L293 L294 H296 S297 V319	T231-T299 WeakPolarHBondContact O-CA 3.3Å; V233-T299 HydrophobicContact CG2-CG2 3.82Å; L293-T299 WeakPolarHBondContact O-CB 3.29Å; L293-T299 PolarHBondContact O-OG1 3.37Å; L294-T299 HydrophobicContact CD2-CG2 4.34Å; H296-T299 WeakPolarHBondContact O-CB 3.33Å; H296-T299 PolarHBondContact O-N 3.02Å; S297-T299 VanDerWaalsContact C-N 3.3Å; T299-V319 HydrophobicContact CG2-CG1 3.84Å; T299-V319 HydrophobicContact CG2-CG2 4.06Å
300	V	98.4	Very high	95.6	Very high	46 Å²	46	26 Å²	26	28%	0.279	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-24.6	-171	-67.9	0	0	0	0	113.5	T231 I232 Y263 K298 L364	T231-V300 WeakPolarHBondContact O-CG2 3.22Å; T231-V300 PolarHBondContact O-N 3.17Å; I232-V300 HydrophobicContact CG1-CG2 4.35Å; Y263-V300 HydrophobicContact CD1-CG2 4.2Å; Y263-V300 HydrophobicContact CE1-CG2 4.22Å; K298-V300 PolarHBondContact O-N 3.46Å; V300-L364 HydrophobicContact CB-CD2 4.04Å; V300-L364 HydrophobicContact CG2-CD2 3.67Å
301	L	98.9	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139	-177.8	176.2	64	0	0	0	110.7	I232 V233 I303 L322 I360 V363 L364	I232-L301 WeakPolarHBondContact CA-O 3.38Å; I232-L301 HydrophobicContact CD1-CD2 4.48Å; I232-L301 HydrophobicContact CG1-CB 4.24Å; I232-L301 HydrophobicContact CG1-CD2 4.5Å; I232-L301 HydrophobicContact CG2-CB 4.22Å; I232-L301 HydrophobicContact CG2-CD2 4.01Å; I232-L301 HydrophobicContact CG2-CG 4.19Å; V233-L301 PolarHBondContact N-O 3.03Å; L301-I303 HydrophobicContact CD2-CD1 4.47Å; L301-I303 HydrophobicContact CD2-CG1 4.08Å; L301-I303 HydrophobicContact CG-CG1 4.19Å; L301-L322 HydrophobicContact CD1-CB 4.16Å; L301-I360 HydrophobicContact CD2-CB 4.21Å; L301-I360 HydrophobicContact CD2-CG1 4.14Å; L301-I360 HydrophobicContact CD2-CG2 3.75Å; L301-V363 HydrophobicContact CD1-CB 3.94Å; L301-V363 HydrophobicContact CD1-CG1 3.63Å; L301-V363 HydrophobicContact CD1-CG2 4.42Å; L301-L364 HydrophobicContact CB-CD2 3.87Å; L301-L364 HydrophobicContact CD2-CD2 4.43Å; L301-L364 HydrophobicContact CD2-CG 4.28Å
302	F	98.8	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.8	169.2	-178.7	-149.8	0	0	0	110.9	V233 L290 L294 T304 A314 V319 P320 M321 L322	V233-F302 HydrophobicContact CB-CD2 4.24Å; V233-F302 HydrophobicContact CG1-CD2 4.22Å; V233-F302 HydrophobicContact CG1-CE2 4.39Å; V233-F302 CarbonylContact O-C 3.41Å; V233-F302 WeakPolarHBondContact O-CA 3.5Å; V233-F302 WeakPolarHBondContact O-CD2 3.45Å; L290-F302 HydrophobicContact CD1-CD2 4.45Å; L290-F302 HydrophobicContact CD1-CE2 3.72Å; L290-F302 HydrophobicContact CD1-CZ 3.91Å; L290-F302 HydrophobicContact CD2-CZ 4.06Å; L294-F302 HydrophobicContact CD1-CD1 4.1Å; L294-F302 HydrophobicContact CD1-CE1 3.97Å; L294-F302 HydrophobicContact CD1-CZ 4.33Å; L294-F302 HydrophobicContact CD2-CB 3.8Å; L294-F302 HydrophobicContact CD2-CD1 4.01Å; L294-F302 HydrophobicContact CD2-CD2 3.92Å; L294-F302 HydrophobicContact CD2-CE2 4.49Å; L294-F302 HydrophobicContact CD2-CG 3.66Å; F302-T304 HydrophobicContact CD1-CG2 3.85Å; F302-T304 HydrophobicContact CE1-CG2 3.86Å; F302-T304 HydrophobicContact CG-CG2 4.34Å; F302-T304 VanDerWaalsContact CZ-CB 3.47Å; F302-T304 HydrophobicContact CZ-CG2 4.32Å; F302-T304 WeakPolarHBondContact CZ-OG1 3.41Å; F302-A314 HydrophobicContact CD1-CB 3.81Å; F302-A314 HydrophobicContact CE1-CB 4.4Å; F302-V319 HydrophobicContact CB-CB 4.49Å; F302-V319 HydrophobicContact CB-CG1 3.75Å; F302-P320 PolarHBondContact N-O 3.09Å; F302-M321 HydrophobicContact CD1-CG 4.35Å; F302-M321 CarbonylContact O-C 3.52Å; F302-M321 VanDerWaalsContact O-CA 3.24Å; F302-M321 WeakPolarHBondContact O-CA 3.35Å; F302-L322 PolarHBondContact O-N 3.22Å
303	I	98.8	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.1	171.1	-49	-180	0	0	0	107.4	I232 V233 F234 S235 F257 L301 L322 I324 F356 I360	I232-I303 HydrophobicContact CG2-CD1 3.73Å; I232-I303 HydrophobicContact CG2-CG1 3.9Å; V233-I303 PolarHBondContact O-N 3.23Å; F234-I303 WeakPolarHBondContact CA-O 3.48Å; F234-I303 HydrophobicContact CB-CB 4.11Å; F234-I303 HydrophobicContact CD2-CB 3.55Å; F234-I303 HydrophobicContact CD2-CG2 3.44Å; F234-I303 VanDerWaalsContact CD2-CG2 3.44Å; F234-I303 WeakPolarHBondContact CD2-O 3.07Å; F234-I303 HydrophobicContact CE2-CB 4.11Å; F234-I303 HydrophobicContact CE2-CG2 3.46Å; F234-I303 VanDerWaalsContact CE2-CG2 3.46Å; F234-I303 HydrophobicContact CG-CB 3.97Å; F234-I303 HydrophobicContact CG-CG2 4.1Å; F234-I303 HydrophobicContact CZ-CG2 4.12Å; S235-I303 PolarHBondContact N-O 3.29Å; F257-I303 HydrophobicContact CE1-CD1 3.82Å; F257-I303 HydrophobicContact CZ-CD1 4.04Å; L301-I303 HydrophobicContact CD2-CD1 4.47Å; L301-I303 HydrophobicContact CD2-CG1 4.08Å; L301-I303 HydrophobicContact CG-CG1 4.19Å; I303-L322 WeakPolarHBondContact CA-O 3.17Å; I303-L322 HydrophobicContact CD1-CD2 4.4Å; I303-L322 HydrophobicContact CG1-CB 4.18Å; I303-L322 HydrophobicContact CG1-CD2 4.32Å; I303-L322 HydrophobicContact CG2-CB 4.37Å; I303-L322 HydrophobicContact CG2-CD2 4.3Å; I303-I324 HydrophobicContact CG2-CD1 4.12Å; I303-F356 HydrophobicContact CD1-CE1 4.44Å; I303-F356 HydrophobicContact CD1-CE2 4.25Å; I303-F356 HydrophobicContact CD1-CZ 3.68Å; I303-F356 HydrophobicContact CG2-CE2 3.96Å; I303-F356 HydrophobicContact CG2-CZ 4.21Å; I303-I360 HydrophobicContact CD1-CD1 3.75Å; I303-I360 HydrophobicContact CD1-CG1 3.89Å
304	T	98.1	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148	-168.4	-174.3	0	0	0	0	113.7	S235 F302 S306 M321 L322 S323 I324	S235-T304 WeakPolarHBondContact O-CA 3.27Å; F302-T304 HydrophobicContact CD1-CG2 3.85Å; F302-T304 HydrophobicContact CE1-CG2 3.86Å; F302-T304 HydrophobicContact CG-CG2 4.34Å; F302-T304 VanDerWaalsContact CZ-CB 3.47Å; F302-T304 HydrophobicContact CZ-CG2 4.32Å; F302-T304 WeakPolarHBondContact CZ-OG1 3.41Å; T304-S306 PolarHBondContact O-N 3.03Å; T304-S306 PolarHBondContact OG1-N 3.25Å; T304-M321 HydrophobicContact CG2-CB 4.32Å; T304-M321 HydrophobicContact CG2-CG 4.04Å; T304-M321 HydrophobicContact CG2-SD 4.09Å; T304-L322 PolarHBondContact N-O 2.98Å; T304-S323 CarbonylContact O-C 3.58Å; T304-S323 VanDerWaalsContact O-CA 3.24Å; T304-S323 WeakPolarHBondContact O-CA 3.3Å; T304-I324 PolarHBondContact O-N 3.46Å
305	H	95.7	Very high	95.1	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.051	14%	0.135	C	C	.	.			trans	-69.5	-7.3	167.2	69.5	-45.1	0	0	0	113	F236 G307 I324 L326 Q330	F236-H305 WeakPolarHBondContact CA-ND1 3.4Å; F236-H305 HydrophobicContact CB-CB 4.28Å; F236-H305 HydrophobicContact CD1-CB 3.6Å; F236-H305 HydrophobicContact CE1-CB 4.09Å; F236-H305 HydrophobicContact CG-CB 4.15Å; F236-H305 PolarHBondContact O-CD2 3.41Å; F236-H305 PolarHBondContact O-CE1 3.16Å; F236-H305 VanDerWaalsContact O-CE1 3.3Å; F236-H305 PolarHBondContact O-ND1 2.79Å; F236-H305 PolarHBondContact O-NE2 3.31Å; H305-G307 VanDerWaalsContact C-N 3.31Å; H305-G307 PolarHBondContact O-N 3.44Å; H305-I324 VanDerWaalsContact CA-O 3.27Å; H305-I324 WeakPolarHBondContact CA-O 3.42Å; H305-L326 HydrophobicContact CB-CD1 4.21Å; H305-L326 HydrophobicContact CB-CG 4.04Å; H305-Q330 VanDerWaalsContact CD2-CD 3.43Å; H305-Q330 PolarHBondContact CD2-NE2 3.38Å; H305-Q330 VanDerWaalsContact O-CB 3.24Å; H305-Q330 WeakPolarHBondContact O-CB 3.2Å; H305-Q330 WeakPolarHBondContact O-CG 3.42Å
306	S	94.4	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.			trans	60.3	35.5	179.8	-49	0	0	0	0	113.9	T304 S323 N333	T304-S306 PolarHBondContact O-N 3.03Å; T304-S306 PolarHBondContact OG1-N 3.25Å; S306-S323 WeakPolarHBondContact OG-CB 3.46Å; S306-S323 PolarHBondContact OG-OG 3.3Å; S306-N333 WeakPolarHBondContact O-CB 3.24Å; S306-N333 PolarHBondContact O-ND2 3.38Å
307	G	91	Very high	95	Very high	9 Å²	9	21 Å²	21	9%	0.093	12%	0.115	C	C	.	.			trans	-54.7	145.9	161.6	0	0	0	0	0	110.1	H305 K309 S310 F311	H305-G307 VanDerWaalsContact C-N 3.31Å; H305-G307 PolarHBondContact O-N 3.44Å; G307-K309 PolarHBondContact O-N 3.05Å; G307-S310 PolarHBondContact O-N 2.57Å; G307-F311 PolarHBondContact O-N 3.27Å
308	I	87.1	Confident	95.1	Very high	24 Å²	24	16.2 Å²	16.2	12%	0.123	8%	0.082	C	C	.	.	H	α-helix	trans	-52.1	-36.7	-167.1	-162.4	167.7	0	0	0	114.5	L188 R312 D329 N333	L188-I308 HydrophobicContact CB-CD1 4.22Å; L188-I308 HydrophobicContact CD1-CD1 4.12Å; L188-I308 HydrophobicContact CD1-CG1 4.05Å; L188-I308 HydrophobicContact CD2-CD1 4.49Å; I308-R312 VanDerWaalsContact O-CB 3.3Å; I308-R312 WeakPolarHBondContact O-CB 3.38Å; I308-R312 PolarHBondContact O-N 3.17Å; I308-D329 WeakPolarHBondContact CB-OD2 3.43Å; I308-D329 PolarHBondContact N-OD2 3.37Å; I308-N333 WeakPolarHBondContact CA-ND2 3.37Å; I308-N333 PolarHBondContact N-ND2 3.5Å
309	K	87.3	Confident	95.1	Very high	65 Å²	65	13.3 Å²	13.3	28%	0.283	7%	0.07	S	C	.	.	H	α-helix	trans	-68.6	-49.1	177.1	-62	-166.3	-177.7	-161	0	112	S10 K13 S14 G307 F311 R312 E313	S10-K309 WeakPolarHBondContact O-CE 3.25Å; S10-K309 PolarHBondContact O-NZ 3.41Å; K13-K309 VanDerWaalsContact CB-NZ 3.27Å; S14-K309 WeakPolarHBondContact OG-CE 3.26Å; S14-K309 PolarHBondContact OG-NZ 3.05Å; G307-K309 PolarHBondContact O-N 3.05Å; K309-F311 VanDerWaalsContact C-N 3.34Å; K309-F311 PolarHBondContact O-N 3.02Å; K309-R312 WeakPolarHBondContact O-CB 3.4Å; K309-R312 PolarHBondContact O-N 3.44Å; K309-E313 WeakPolarHBondContact O-CB 3.13Å; K309-E313 VanDerWaalsContact O-CG 3.32Å; K309-E313 WeakPolarHBondContact O-CG 3.43Å; K309-E313 PolarHBondContact O-N 3.27Å
310	S	91.5	Very high	95.2	Very high	11 Å²	11	13.4 Å²	13.4	8%	0.077	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.4	-60.6	0	0	0	0	111.7	G307 R312 E313 A314	G307-S310 PolarHBondContact O-N 2.57Å; S310-R312 VanDerWaalsContact C-N 3.35Å; S310-R312 PolarHBondContact O-N 3.23Å; S310-E313 PolarHBondContact O-N 3.3Å; S310-A314 WeakPolarHBondContact O-CB 3.08Å; S310-A314 PolarHBondContact O-N 2.94Å
311	F	93.8	Very high	95.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-48.4	173.1	171.8	-116.7	0	0	0	111.2	L192 G307 K309 A314 V315 M321 N333 L336 A337 L342	L192-F311 HydrophobicContact CB-CE1 4.06Å; L192-F311 HydrophobicContact CD1-CE1 4.48Å; G307-F311 PolarHBondContact O-N 3.27Å; K309-F311 VanDerWaalsContact C-N 3.34Å; K309-F311 PolarHBondContact O-N 3.02Å; F311-A314 WeakPolarHBondContact O-CB 3.22Å; F311-A314 PolarHBondContact O-N 3.38Å; F311-V315 HydrophobicContact CE2-CG2 4.31Å; F311-V315 HydrophobicContact CZ-CG2 4.49Å; F311-V315 WeakPolarHBondContact O-CG2 3.34Å; F311-V315 PolarHBondContact O-N 3.39Å; F311-M321 HydrophobicContact CD2-CE 3.66Å; F311-M321 HydrophobicContact CD2-SD 3.88Å; F311-M321 HydrophobicContact CE2-CE 3.78Å; F311-N333 HydrophobicContact CB-CB 4.29Å; F311-N333 HydrophobicContact CD1-CB 4.31Å; F311-N333 HydrophobicContact CG-CB 4.16Å; F311-L336 HydrophobicContact CZ-CB 4.11Å; F311-A337 HydrophobicContact CD2-CB 4.3Å; F311-A337 HydrophobicContact CE2-CB 3.82Å; F311-L342 HydrophobicContact CE2-CD1 4.19Å
312	R	92.2	Very high	95.2	Very high	26 Å²	26	11.2 Å²	11.2	10%	0.098	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-45	177.3	-175.1	-166.4	-174.2	104.1	22.8	112.6	S187 L192 D206 Y207 I308 K309 S310 A314 V315 C316	S187-R312 PolarHBondContact O-NH1 2.59Å; L192-R312 HydrophobicContact CD1-CB 4.45Å; L192-R312 HydrophobicContact CD1-CG 4.19Å; D206-R312 IonicContact OD1-CZ 2.74Å; D206-R312 IonicContact OD1-NH1 2.69Å; D206-R312 IonicContact OD1-NH2 3.17Å; D206-R312 PolarHBondContact OD1-NH2 2.96Å; Y207-R312 VanDerWaalsContact C-NH2 3.28Å; Y207-R312 VanDerWaalsContact CA-NH2 3.31Å; Y207-R312 PolarHBondContact O-NH2 3.2Å; I308-R312 VanDerWaalsContact O-CB 3.3Å; I308-R312 WeakPolarHBondContact O-CB 3.38Å; I308-R312 PolarHBondContact O-N 3.17Å; K309-R312 WeakPolarHBondContact O-CB 3.4Å; K309-R312 PolarHBondContact O-N 3.44Å; S310-R312 VanDerWaalsContact C-N 3.35Å; S310-R312 PolarHBondContact O-N 3.23Å; R312-A314 VanDerWaalsContact C-N 3.31Å; R312-A314 PolarHBondContact O-N 2.86Å; R312-V315 PolarHBondContact O-N 2.74Å; R312-C316 WeakPolarHBondContact O-CB 3.44Å; R312-C316 PolarHBondContact O-N 3.15Å; R312-C316 PolarHBondContact O-SG 3.22Å
313	E	93.3	Very high	95.1	Very high	34 Å²	34	11.2 Å²	11.2	16%	0.159	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-42.6	177.1	-77	167.2	173.9	0	0	111.5	P210 L294 K309 S310 V315 C316 F317	P210-E313 HydrophobicContact CG-CG 3.91Å; L294-E313 HydrophobicContact CD1-CB 3.89Å; K309-E313 WeakPolarHBondContact O-CB 3.13Å; K309-E313 VanDerWaalsContact O-CG 3.32Å; K309-E313 WeakPolarHBondContact O-CG 3.43Å; K309-E313 PolarHBondContact O-N 3.27Å; S310-E313 PolarHBondContact O-N 3.3Å; E313-V315 VanDerWaalsContact C-N 3.33Å; E313-V315 PolarHBondContact O-N 2.76Å; E313-C316 PolarHBondContact O-N 2.74Å; E313-F317 HydrophobicContact CB-CD2 4.38Å; E313-F317 HydrophobicContact CB-CE2 4.38Å; E313-F317 WeakPolarHBondContact O-CD2 3.33Å; E313-F317 PolarHBondContact O-N 3.02Å
314	A	96.9	Very high	95	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.3	-45.6	175.6	0	0	0	0	0	111.7	F302 S310 F311 R312 A318 V319 M321 I373	F302-A314 HydrophobicContact CD1-CB 3.81Å; F302-A314 HydrophobicContact CE1-CB 4.4Å; S310-A314 WeakPolarHBondContact O-CB 3.08Å; S310-A314 PolarHBondContact O-N 2.94Å; F311-A314 WeakPolarHBondContact O-CB 3.22Å; F311-A314 PolarHBondContact O-N 3.38Å; R312-A314 VanDerWaalsContact C-N 3.31Å; R312-A314 PolarHBondContact O-N 2.86Å; A314-A318 CarbonylContact O-C 3.49Å; A314-A318 WeakPolarHBondContact O-CA 3.42Å; A314-A318 PolarHBondContact O-N 3.33Å; A314-V319 PolarHBondContact O-N 3.29Å; A314-M321 HydrophobicContact CB-CE 4.02Å; A314-M321 HydrophobicContact CB-CG 3.65Å; A314-M321 HydrophobicContact CB-SD 3.39Å; A314-M321 WeakPolarHBondContact CB-SD 3.35Å; A314-I373 WeakPolarHBondContact O-CD1 3.22Å
315	V	96.3	Very high	94.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.2	-45.6	176.9	-178	0	0	0	0	111.3	L192 F311 R312 E313 F317 A318 M321 L342 I373 L376 S377 L380	L192-V315 HydrophobicContact CD2-CB 3.95Å; L192-V315 HydrophobicContact CD2-CG1 3.64Å; L192-V315 HydrophobicContact CD2-CG2 3.93Å; F311-V315 HydrophobicContact CE2-CG2 4.31Å; F311-V315 HydrophobicContact CZ-CG2 4.49Å; F311-V315 WeakPolarHBondContact O-CG2 3.34Å; F311-V315 PolarHBondContact O-N 3.39Å; R312-V315 PolarHBondContact O-N 2.74Å; E313-V315 VanDerWaalsContact C-N 3.33Å; E313-V315 PolarHBondContact O-N 2.76Å; V315-F317 VanDerWaalsContact C-N 3.31Å; V315-F317 PolarHBondContact O-N 3.06Å; V315-A318 PolarHBondContact O-N 3.15Å; V315-M321 HydrophobicContact CG2-CE 4.45Å; V315-L342 HydrophobicContact CG2-CD1 3.79Å; V315-I373 HydrophobicContact CG1-CG1 4.48Å; V315-I373 HydrophobicContact CG2-CD1 4.29Å; V315-I373 HydrophobicContact CG2-CG1 4.35Å; V315-L376 HydrophobicContact CG1-CB 4.21Å; V315-L376 HydrophobicContact CG1-CD2 3.78Å; V315-L376 HydrophobicContact CG1-CG 3.68Å; V315-L376 HydrophobicContact CG2-CD2 4.35Å; V315-S377 WeakPolarHBondContact O-CB 3.29Å; V315-S377 PolarHBondContact O-OG 3.49Å; V315-L380 HydrophobicContact CG1-CD2 4.19Å
316	C	94.6	Very high	94.6	Very high	11 Å²	11	12.9 Å²	12.9	7%	0.074	7%	0.067	C	C	.	.	H	α-helix	trans	-53.7	-47.1	177.1	-84.6	0	0	0	0	112.3	C209 R312 E313 A318 S377	C209-C316 WeakPolarHBondContact CA-SG 3.44Å; C209-C316 HydrophobicContact CB-CB 3.58Å; C209-C316 WeakPolarHBondContact CB-SG 3.37Å; C209-C316 WeakPolarHBondContact SG-CA 3.2Å; C209-C316 WeakPolarHBondContact SG-CB 3.08Å; C209-C316 CovalentContact SG-SG 2.04Å; C209-C316 PolarHBondContact SG-SG 3.25Å; R312-C316 WeakPolarHBondContact O-CB 3.44Å; R312-C316 PolarHBondContact O-N 3.15Å; R312-C316 PolarHBondContact O-SG 3.22Å; E313-C316 PolarHBondContact O-N 2.74Å; C316-A318 VanDerWaalsContact C-N 3.31Å; C316-S377 PolarHBondContact O-OG 3.22Å
317	F	96.4	Very high	94.3	Very high	29 Å²	29	18.5 Å²	18.5	13%	0.127	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	8.8	180	-56.8	-54	0	0	0	113.9	P210 A212 P291 L294 Q295 E313 V315 V319	P210-F317 HydrophobicContact CB-CZ 4.44Å; P210-F317 HydrophobicContact CG-CE2 3.97Å; P210-F317 HydrophobicContact CG-CZ 3.8Å; P210-F317 WeakPolarHBondContact O-CE1 3.21Å; P210-F317 VanDerWaalsContact O-CZ 3.3Å; P210-F317 WeakPolarHBondContact O-CZ 3.45Å; A212-F317 HydrophobicContact CB-CZ 4.31Å; P291-F317 HydrophobicContact CB-CE2 4.25Å; L294-F317 HydrophobicContact CB-CB 4.19Å; L294-F317 HydrophobicContact CB-CD2 3.52Å; L294-F317 HydrophobicContact CB-CE2 4.27Å; L294-F317 HydrophobicContact CB-CG 4.19Å; L294-F317 HydrophobicContact CD1-CD2 4.46Å; L294-F317 WeakPolarHBondContact O-CB 3.28Å; Q295-F317 HydrophobicContact CB-CD1 3.74Å; Q295-F317 HydrophobicContact CB-CE1 3.73Å; Q295-F317 HydrophobicContact CB-CG 4.19Å; Q295-F317 HydrophobicContact CB-CZ 4.15Å; Q295-F317 HydrophobicContact CG-CD1 3.93Å; Q295-F317 HydrophobicContact CG-CE1 3.87Å; E313-F317 HydrophobicContact CB-CD2 4.38Å; E313-F317 HydrophobicContact CB-CE2 4.38Å; E313-F317 WeakPolarHBondContact O-CD2 3.33Å; E313-F317 PolarHBondContact O-N 3.02Å; V315-F317 VanDerWaalsContact C-N 3.31Å; V315-F317 PolarHBondContact O-N 3.06Å; F317-V319 VanDerWaalsContact C-N 3.3Å; F317-V319 HydrophobicContact CB-CG2 4.25Å; F317-V319 PolarHBondContact O-N 3.09Å
318	A	97.7	Very high	94	Very high	10 Å²	10	20.7 Å²	20.7	8%	0.083	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.7	178.4	0	0	0	0	0	114.1	A314 V315 C316 K370 I373	A314-A318 CarbonylContact O-C 3.49Å; A314-A318 WeakPolarHBondContact O-CA 3.42Å; A314-A318 PolarHBondContact O-N 3.33Å; V315-A318 PolarHBondContact O-N 3.15Å; C316-A318 VanDerWaalsContact C-N 3.31Å; A318-K370 WeakPolarHBondContact O-CD 3.26Å; A318-K370 WeakPolarHBondContact O-CE 3.47Å; A318-K370 PolarHBondContact O-NZ 2.77Å; A318-I373 HydrophobicContact CB-CG2 4.32Å; A318-I373 WeakPolarHBondContact O-CG2 3.41Å
319	V	98.5	Very high	93.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.121	C	C	.	.			trans	-101.7	114.6	178.6	-175.9	0	0	0	0	110.5	L294 T299 F302 A314 F317 I373	L294-V319 HydrophobicContact CB-CG2 4.49Å; L294-V319 HydrophobicContact CD2-CB 4.47Å; L294-V319 HydrophobicContact CD2-CG1 4.39Å; L294-V319 HydrophobicContact CD2-CG2 4.39Å; L294-V319 VanDerWaalsContact O-CG2 3.31Å; L294-V319 WeakPolarHBondContact O-CG2 3.33Å; T299-V319 HydrophobicContact CG2-CG1 3.84Å; T299-V319 HydrophobicContact CG2-CG2 4.06Å; F302-V319 HydrophobicContact CB-CB 4.49Å; F302-V319 HydrophobicContact CB-CG1 3.75Å; A314-V319 PolarHBondContact O-N 3.29Å; F317-V319 VanDerWaalsContact C-N 3.3Å; F317-V319 HydrophobicContact CB-CG2 4.25Å; F317-V319 PolarHBondContact O-N 3.09Å; V319-I373 WeakPolarHBondContact O-CD1 3.27Å
320	P	98.7	Very high	94.1	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.026	11%	0.109	C	C	.	.			trans	-53.5	152.2	174.9	-28.4	37.3	0	0	0	113.1	F302 L342 V363 K370 I373	F302-P320 PolarHBondContact N-O 3.09Å; P320-L342 WeakPolarHBondContact CA-O 3.41Å; P320-V363 HydrophobicContact CB-CG1 3.52Å; P320-K370 HydrophobicContact CG-CB 4.02Å; P320-K370 HydrophobicContact CG-CD 4.11Å; P320-I373 HydrophobicContact CG-CG2 4.08Å
321	M	98.7	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	-172.5	-69.6	172.3	-77.6	0	0	113.9	F302 T304 F311 A314 V315 A337 L342 G343 V344 I373	F302-M321 HydrophobicContact CD1-CG 4.35Å; F302-M321 CarbonylContact O-C 3.52Å; F302-M321 VanDerWaalsContact O-CA 3.24Å; F302-M321 WeakPolarHBondContact O-CA 3.35Å; T304-M321 HydrophobicContact CG2-CB 4.32Å; T304-M321 HydrophobicContact CG2-CG 4.04Å; T304-M321 HydrophobicContact CG2-SD 4.09Å; F311-M321 HydrophobicContact CD2-CE 3.66Å; F311-M321 HydrophobicContact CD2-SD 3.88Å; F311-M321 HydrophobicContact CE2-CE 3.78Å; A314-M321 HydrophobicContact CB-CE 4.02Å; A314-M321 HydrophobicContact CB-CG 3.65Å; A314-M321 HydrophobicContact CB-SD 3.39Å; A314-M321 WeakPolarHBondContact CB-SD 3.35Å; V315-M321 HydrophobicContact CG2-CE 4.45Å; M321-A337 HydrophobicContact CE-CB 3.94Å; M321-L342 HydrophobicContact CE-CB 3.89Å; M321-L342 HydrophobicContact CE-CD1 4.21Å; M321-L342 PolarHBondContact N-O 2.8Å; M321-G343 CarbonylContact O-C 3.55Å; M321-G343 WeakPolarHBondContact O-CA 3.15Å; M321-V344 PolarHBondContact O-N 2.93Å; M321-V344 VanDerWaalsContact O-N 3.12Å; M321-I373 HydrophobicContact CE-CD1 4.36Å
322	L	98.6	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.5	155.2	-177.3	65.6	0	0	0	107.6	L301 F302 I303 T304 V344 L346 F356 I360	L301-L322 HydrophobicContact CD1-CB 4.16Å; F302-L322 PolarHBondContact O-N 3.22Å; I303-L322 WeakPolarHBondContact CA-O 3.17Å; I303-L322 HydrophobicContact CD1-CD2 4.4Å; I303-L322 HydrophobicContact CG1-CB 4.18Å; I303-L322 HydrophobicContact CG1-CD2 4.32Å; I303-L322 HydrophobicContact CG2-CB 4.37Å; I303-L322 HydrophobicContact CG2-CD2 4.3Å; T304-L322 PolarHBondContact N-O 2.98Å; L322-V344 HydrophobicContact CD1-CB 4.1Å; L322-V344 HydrophobicContact CD1-CG1 4.31Å; L322-L346 HydrophobicContact CD1-CD1 3.87Å; L322-L346 HydrophobicContact CD1-CD2 4.46Å; L322-L346 HydrophobicContact CD1-CG 3.8Å; L322-L346 HydrophobicContact CD2-CD1 4.01Å; L322-L346 HydrophobicContact CG-CD1 4.16Å; L322-L346 HydrophobicContact CG-CG 4.45Å; L322-F356 HydrophobicContact CD2-CD2 4.32Å; L322-F356 HydrophobicContact CD2-CE2 4.19Å; L322-I360 HydrophobicContact CD2-CG1 3.61Å
323	S	97.8	Very high	94	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.2	-167.8	-67	0	0	0	0	112.2	T304 S306 T334 V344 R345 L346	T304-S323 CarbonylContact O-C 3.58Å; T304-S323 VanDerWaalsContact O-CA 3.24Å; T304-S323 WeakPolarHBondContact O-CA 3.3Å; S306-S323 WeakPolarHBondContact OG-CB 3.46Å; S306-S323 PolarHBondContact OG-OG 3.3Å; S323-T334 VanDerWaalsContact CB-CG2 3.49Å; S323-V344 PolarHBondContact N-O 3.24Å; S323-R345 CarbonylContact O-C 3.56Å; S323-R345 VanDerWaalsContact O-CA 3.28Å; S323-R345 WeakPolarHBondContact O-CA 3.26Å; S323-L346 PolarHBondContact O-N 3.45Å
324	I	96.4	Very high	94.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.103	C	C	.	.			trans	-129.1	85.8	-178.9	-52	176.3	0	0	0	108.9	F236 I303 T304 H305 L326 L346 K348 L351 F356	F236-I324 HydrophobicContact CE1-CB 3.92Å; F236-I324 HydrophobicContact CE1-CD1 4.47Å; F236-I324 HydrophobicContact CZ-CB 3.82Å; F236-I324 HydrophobicContact CZ-CD1 4.07Å; F236-I324 HydrophobicContact CZ-CG1 4.46Å; F236-I324 HydrophobicContact CZ-CG2 4.02Å; I303-I324 HydrophobicContact CG2-CD1 4.12Å; T304-I324 PolarHBondContact O-N 3.46Å; H305-I324 VanDerWaalsContact CA-O 3.27Å; H305-I324 WeakPolarHBondContact CA-O 3.42Å; I324-L326 PolarHBondContact O-N 2.85Å; I324-L346 HydrophobicContact CG1-CB 4.24Å; I324-K348 HydrophobicContact CG2-CB 3.95Å; I324-L351 HydrophobicContact CD1-CD1 4.05Å; I324-L351 HydrophobicContact CD1-CD2 4.36Å; I324-L351 HydrophobicContact CG2-CD1 3.73Å; I324-F356 HydrophobicContact CD1-CD2 3.97Å; I324-F356 HydrophobicContact CD1-CE2 3.69Å
325	P	94.1	Very high	93.9	Very high	10 Å²	10	17.9 Å²	17.9	7%	0.065	10%	0.103	C	C	.	.			trans	-68.4	134.9	-173.8	25.8	-26.4	0	0	0	111.1	Q330 V331 T334	P325-Q330 HydrophobicContact CB-CB 3.93Å; P325-V331 HydrophobicContact CB-CB 4.43Å; P325-V331 HydrophobicContact CB-CG2 3.84Å; P325-V331 HydrophobicContact CG-CG2 4.27Å; P325-T334 HydrophobicContact CB-CG2 3.82Å; P325-T334 HydrophobicContact CG-CG2 3.8Å
326	L	92	Very high	93.8	Very high	34 Å²	34	17.9 Å²	17.9	18%	0.178	10%	0.103	C	C	.	.			trans	-93.3	-50.8	175.9	-53.4	178.7	0	0	0	111.2	F236 A240 H305 I324 Q330 K348	F236-L326 HydrophobicContact CB-CD1 4.29Å; F236-L326 HydrophobicContact CD2-CD1 4.21Å; F236-L326 HydrophobicContact CE2-CD2 4.29Å; F236-L326 HydrophobicContact CG-CD1 4.31Å; A240-L326 HydrophobicContact CB-CD1 3.65Å; H305-L326 HydrophobicContact CB-CD1 4.21Å; H305-L326 HydrophobicContact CB-CG 4.04Å; I324-L326 PolarHBondContact O-N 2.85Å; L326-Q330 VanDerWaalsContact CA-OE1 3.31Å; L326-Q330 VanDerWaalsContact CB-OE1 3.24Å; L326-K348 HydrophobicContact CD2-CD 4.25Å; L326-K348 PolarHBondContact O-NZ 3.33Å
327	F	87.6	Confident	93.9	Very high	119 Å²	119	17.4 Å²	17.4	52%	0.522	10%	0.1	S	C	.	.	S	Bend	trans	-168	169.9	-179.3	56.7	-90.8	0	0	0	112.1	Q330	F327-Q330 VanDerWaalsContact N-OE1 3.08Å; F327-Q330 VanDerWaalsContact O-CB 3.25Å; F327-Q330 WeakPolarHBondContact O-CB 3.12Å; F327-Q330 WeakPolarHBondContact O-CG 3.47Å; F327-Q330 PolarHBondContact O-NE2 3.04Å; F327-Q330 PolarHBondContact O-OE1 2.98Å
328	G	85.1	Confident	93.8	Very high	54 Å²	54	19.8 Å²	19.8	56%	0.557	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-139.9	170.8	0	0	0	0	0	114.3	Q330	G328-Q330 PolarHBondContact O-N 2.84Å
329	D	85	Confident	93.6	Very high	50 Å²	50	22.4 Å²	22.4	27%	0.267	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.6	-177.5	70.4	-52.5	0	0	0	113.4	I308 V331 R332 N333	I308-D329 WeakPolarHBondContact CB-OD2 3.43Å; I308-D329 PolarHBondContact N-OD2 3.37Å; D329-V331 PolarHBondContact O-N 3.09Å; D329-R332 WeakPolarHBondContact O-CA 3.29Å; D329-R332 WeakPolarHBondContact O-CB 3.42Å; D329-R332 PolarHBondContact O-N 3.26Å; D329-N333 PolarHBondContact O-N 3.44Å; D329-N333 PolarHBondContact O-ND2 2.76Å; D329-N333 PolarHBondContact OD2-ND2 3.49Å
330	Q	91.3	Very high	93.4	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-51.3	-44	179.7	-66.1	165.3	31.3	0	0	111.9	H305 P325 L326 F327 G328 R332 N333 T334	H305-Q330 VanDerWaalsContact CD2-CD 3.43Å; H305-Q330 PolarHBondContact CD2-NE2 3.38Å; H305-Q330 VanDerWaalsContact O-CB 3.24Å; H305-Q330 WeakPolarHBondContact O-CB 3.2Å; H305-Q330 WeakPolarHBondContact O-CG 3.42Å; P325-Q330 HydrophobicContact CB-CB 3.93Å; L326-Q330 VanDerWaalsContact CA-OE1 3.31Å; L326-Q330 VanDerWaalsContact CB-OE1 3.24Å; F327-Q330 VanDerWaalsContact N-OE1 3.08Å; F327-Q330 VanDerWaalsContact O-CB 3.25Å; F327-Q330 WeakPolarHBondContact O-CB 3.12Å; F327-Q330 WeakPolarHBondContact O-CG 3.47Å; F327-Q330 PolarHBondContact O-NE2 3.04Å; F327-Q330 PolarHBondContact O-OE1 2.98Å; G328-Q330 PolarHBondContact O-N 2.84Å; Q330-R332 VanDerWaalsContact C-N 3.31Å; Q330-R332 PolarHBondContact O-N 2.75Å; Q330-N333 PolarHBondContact O-N 2.6Å; Q330-T334 WeakPolarHBondContact O-CG2 3.46Å; Q330-T334 PolarHBondContact O-N 3.06Å
331	V	91.9	Very high	93.3	Very high	22 Å²	22	25 Å²	25	13%	0.133	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-45	178.9	-177.1	0	0	0	0	110.3	P123 P325 D329 N333 T334 I335	P123-V331 HydrophobicContact CB-CB 4.08Å; P123-V331 HydrophobicContact CB-CG1 4.26Å; P123-V331 VanDerWaalsContact O-CB 3.28Å; P123-V331 WeakPolarHBondContact O-CB 3.17Å; P123-V331 WeakPolarHBondContact O-CG1 3.43Å; P325-V331 HydrophobicContact CB-CB 4.43Å; P325-V331 HydrophobicContact CB-CG2 3.84Å; P325-V331 HydrophobicContact CG-CG2 4.27Å; D329-V331 PolarHBondContact O-N 3.09Å; V331-N333 PolarHBondContact O-N 3.44Å; V331-T334 PolarHBondContact O-N 2.96Å; V331-T334 PolarHBondContact O-OG1 3.11Å; V331-I335 HydrophobicContact CG1-CD1 4.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 3.15Å; V331-I335 VanDerWaalsContact O-N 3.08Å
332	R	91.4	Very high	93.3	Very high	21 Å²	21	25 Å²	25	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-49.2	175.8	-160.2	178.6	176.2	-92	-2.3	111.5	V121 P123 D193 D329 Q330 T334 I335 L336	V121-R332 HydrophobicContact CG1-CG 3.98Å; P123-R332 HydrophobicContact CB-CB 3.54Å; P123-R332 HydrophobicContact CB-CG 4.17Å; P123-R332 HydrophobicContact CG-CB 4.19Å; D193-R332 IonicContact OD1-CZ 3.24Å; D193-R332 IonicContact OD1-NH1 2.84Å; D193-R332 IonicContact OD1-NH2 2.74Å; D193-R332 PolarHBondContact OD1-NH2 3.43Å; D193-R332 IonicContact OD2-CZ 2.75Å; D193-R332 VanDerWaalsContact OD2-CZ 3.24Å; D193-R332 IonicContact OD2-NH1 3.5Å; D193-R332 PolarHBondContact OD2-NH1 3.03Å; D193-R332 IonicContact OD2-NH2 2.75Å; D193-R332 PolarHBondContact OD2-NH2 2.81Å; D329-R332 WeakPolarHBondContact O-CA 3.29Å; D329-R332 WeakPolarHBondContact O-CB 3.42Å; D329-R332 PolarHBondContact O-N 3.26Å; Q330-R332 VanDerWaalsContact C-N 3.31Å; Q330-R332 PolarHBondContact O-N 2.75Å; R332-T334 VanDerWaalsContact C-N 3.28Å; R332-T334 PolarHBondContact O-N 2.66Å; R332-I335 WeakPolarHBondContact O-CB 3.37Å; R332-I335 PolarHBondContact O-N 3.39Å; R332-I335 VanDerWaalsContact O-N 3.12Å; R332-L336 PolarHBondContact O-N 3.42Å
333	N	92.6	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-34.5	-176.8	-58.9	-26.8	0	0	0	111.1	S306 I308 F311 D329 Q330 V331 L336 A337	S306-N333 WeakPolarHBondContact O-CB 3.24Å; S306-N333 PolarHBondContact O-ND2 3.38Å; I308-N333 WeakPolarHBondContact CA-ND2 3.37Å; I308-N333 PolarHBondContact N-ND2 3.5Å; F311-N333 HydrophobicContact CB-CB 4.29Å; F311-N333 HydrophobicContact CD1-CB 4.31Å; F311-N333 HydrophobicContact CG-CB 4.16Å; D329-N333 PolarHBondContact O-N 3.44Å; D329-N333 PolarHBondContact O-ND2 2.76Å; D329-N333 PolarHBondContact OD2-ND2 3.49Å; Q330-N333 PolarHBondContact O-N 2.6Å; V331-N333 PolarHBondContact O-N 3.44Å; N333-L336 PolarHBondContact O-N 3.3Å; N333-A337 WeakPolarHBondContact O-CB 3.4Å; N333-A337 PolarHBondContact O-N 2.89Å
334	T	94.7	Very high	93.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-37.8	172.9	67.9	0	0	0	0	113	S323 P325 Q330 V331 R332 L336 A337 K338 R345	S323-T334 VanDerWaalsContact CB-CG2 3.49Å; P325-T334 HydrophobicContact CB-CG2 3.82Å; P325-T334 HydrophobicContact CG-CG2 3.8Å; Q330-T334 WeakPolarHBondContact O-CG2 3.46Å; Q330-T334 PolarHBondContact O-N 3.06Å; V331-T334 PolarHBondContact O-N 2.96Å; V331-T334 PolarHBondContact O-OG1 3.11Å; R332-T334 VanDerWaalsContact C-N 3.28Å; R332-T334 PolarHBondContact O-N 2.66Å; T334-L336 VanDerWaalsContact C-N 3.33Å; T334-A337 PolarHBondContact O-N 3.47Å; T334-K338 PolarHBondContact O-N 2.93Å; T334-R345 WeakPolarHBondContact OG1-CD 3.43Å; T334-R345 PolarHBondContact OG1-NH1 3.37Å
335	I	93.6	Very high	93.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-43	175	-64.9	165.7	0	0	0	109.4	V121 M126 F129 V331 R332 K338 F339	V121-I335 HydrophobicContact CG1-CB 4.05Å; V121-I335 HydrophobicContact CG1-CD1 4.14Å; V121-I335 HydrophobicContact CG1-CG2 3.66Å; M126-I335 HydrophobicContact CB-CD1 4.28Å; M126-I335 WeakPolarHBondContact O-CD1 3.44Å; F129-I335 HydrophobicContact CB-CG2 3.41Å; F129-I335 VanDerWaalsContact CB-CG2 3.41Å; V331-I335 HydrophobicContact CG1-CD1 4.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 3.15Å; V331-I335 VanDerWaalsContact O-N 3.08Å; R332-I335 WeakPolarHBondContact O-CB 3.37Å; R332-I335 PolarHBondContact O-N 3.39Å; R332-I335 VanDerWaalsContact O-N 3.12Å; I335-K338 PolarHBondContact O-N 2.67Å; I335-F339 VanDerWaalsContact O-CB 3.25Å; I335-F339 WeakPolarHBondContact O-CB 3.4Å; I335-F339 PolarHBondContact O-N 3.19Å
336	L	93.7	Very high	93.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-42.7	175.3	-69.2	175.7	0	0	0	112.2	V121 V194 F311 R332 N333 T334 K338 F339 H340	V121-L336 HydrophobicContact CG2-CD2 4.01Å; V194-L336 HydrophobicContact CG2-CD2 4.09Å; F311-L336 HydrophobicContact CZ-CB 4.11Å; R332-L336 PolarHBondContact O-N 3.42Å; N333-L336 PolarHBondContact O-N 3.3Å; T334-L336 VanDerWaalsContact C-N 3.33Å; L336-K338 VanDerWaalsContact C-N 3.29Å; L336-K338 PolarHBondContact O-N 3.2Å; L336-F339 PolarHBondContact O-N 2.86Å; L336-H340 PolarHBondContact O-CD2 2.86Å; L336-H340 PolarHBondContact O-N 3.49Å
337	A	95.3	Very high	93.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-44	174	0	0	0	0	0	111.3	F311 M321 N333 T334 G341 L342	F311-A337 HydrophobicContact CD2-CB 4.3Å; F311-A337 HydrophobicContact CE2-CB 3.82Å; M321-A337 HydrophobicContact CE-CB 3.94Å; N333-A337 WeakPolarHBondContact O-CB 3.4Å; N333-A337 PolarHBondContact O-N 2.89Å; T334-A337 PolarHBondContact O-N 3.47Å; A337-G341 PolarHBondContact O-N 2.69Å; A337-L342 WeakPolarHBondContact O-CB 3.23Å; A337-L342 PolarHBondContact O-N 2.77Å
338	K	94.8	Very high	93.5	Very high	80 Å²	80	29.6 Å²	29.6	35%	0.348	16%	0.158	S	C	.	.	H	α-helix	trans	-68.3	-43.4	175.9	-167.6	-178.4	-175.1	-173.4	0	112	E128 T334 I335 L336 H340 G341	E128-K338 HydrophobicContact CB-CD 3.91Å; E128-K338 IonicContact OE2-NZ 3.88Å; E128-K338 PolarHBondContact OE2-NZ 2.86Å; T334-K338 PolarHBondContact O-N 2.93Å; I335-K338 PolarHBondContact O-N 2.67Å; L336-K338 VanDerWaalsContact C-N 3.29Å; L336-K338 PolarHBondContact O-N 3.2Å; K338-H340 VanDerWaalsContact C-N 3.34Å; K338-H340 PolarHBondContact O-N 3.42Å; K338-G341 WeakPolarHBondContact O-CA 3.42Å; K338-G341 PolarHBondContact O-N 3.16Å
339	F	93.4	Very high	93.8	Very high	64 Å²	64	32.2 Å²	32.2	28%	0.281	16%	0.164	S	C	.	.	H	α-helix	trans	-57.9	-44.7	179.8	176.4	-98.5	0	0	0	112	F129 V194 I335 L336 G341	F129-F339 HydrophobicContact CD1-CD2 4.37Å; F129-F339 HydrophobicContact CD1-CE2 4.5Å; F129-F339 WeakPolarHBondContact O-CD2 3.3Å; V194-F339 HydrophobicContact CG2-CD1 4.21Å; V194-F339 HydrophobicContact CG2-CE1 3.99Å; V194-F339 HydrophobicContact CG2-CZ 4.14Å; I335-F339 VanDerWaalsContact O-CB 3.25Å; I335-F339 WeakPolarHBondContact O-CB 3.4Å; I335-F339 PolarHBondContact O-N 3.19Å; L336-F339 PolarHBondContact O-N 2.86Å; F339-G341 PolarHBondContact O-N 2.86Å
340	H	95.1	Very high	94.1	Very high	46 Å²	46	38.2 Å²	38.2	21%	0.213	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.2	176.2	-69.4	-62.8	0	0	0	113.3	L192 D193 L336 K338 L342 L376	L192-H340 PolarHBondContact O-NE2 2.73Å; D193-H340 PolarHBondContact O-CE1 2.82Å; D193-H340 PolarHBondContact O-NE2 2.99Å; L336-H340 PolarHBondContact O-CD2 2.86Å; L336-H340 PolarHBondContact O-N 3.49Å; K338-H340 VanDerWaalsContact C-N 3.34Å; K338-H340 PolarHBondContact O-N 3.42Å; H340-L342 HydrophobicContact CB-CD1 3.8Å; H340-L342 HydrophobicContact CB-CD2 3.87Å; H340-L342 HydrophobicContact CB-CG 3.57Å; H340-L342 WeakPolarHBondContact O-CD2 3.24Å; H340-L376 HydrophobicContact CB-CD2 4.4Å
341	G	96.6	Very high	94.4	Very high	13 Å²	13	39.1 Å²	39.1	13%	0.134	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	41.9	-178.5	0	0	0	0	0	112.7	A337 K338 F339 Y369 R372	A337-G341 PolarHBondContact O-N 2.69Å; K338-G341 WeakPolarHBondContact O-CA 3.42Å; K338-G341 PolarHBondContact O-N 3.16Å; F339-G341 PolarHBondContact O-N 2.86Å; G341-Y369 WeakPolarHBondContact O-CD1 3.16Å; G341-R372 PolarHBondContact O-NE 3.35Å; G341-R372 PolarHBondContact O-NH2 2.88Å
342	L	97.9	Very high	94.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-96.1	-6.3	-177.4	-47.5	-179.5	0	0	0	112.8	F311 V315 P320 M321 A337 H340 R372 I373 L376	F311-L342 HydrophobicContact CE2-CD1 4.19Å; V315-L342 HydrophobicContact CG2-CD1 3.79Å; P320-L342 WeakPolarHBondContact CA-O 3.41Å; M321-L342 HydrophobicContact CE-CB 3.89Å; M321-L342 HydrophobicContact CE-CD1 4.21Å; M321-L342 PolarHBondContact N-O 2.8Å; A337-L342 WeakPolarHBondContact O-CB 3.23Å; A337-L342 PolarHBondContact O-N 2.77Å; H340-L342 HydrophobicContact CB-CD1 3.8Å; H340-L342 HydrophobicContact CB-CD2 3.87Å; H340-L342 HydrophobicContact CB-CG 3.57Å; H340-L342 WeakPolarHBondContact O-CD2 3.24Å; L342-R372 HydrophobicContact CD2-CB 4.43Å; L342-I373 HydrophobicContact CB-CD1 4.33Å; L342-I373 HydrophobicContact CD2-CB 3.83Å; L342-I373 HydrophobicContact CD2-CG1 4Å; L342-L376 HydrophobicContact CD1-CD2 3.63Å; L342-L376 HydrophobicContact CD2-CD2 3.95Å; L342-L376 HydrophobicContact CG-CD2 4.39Å
343	G	97.5	Very high	94.9	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-168.4	-176.3	0	0	0	0	0	113.9	M321 Y369	M321-G343 CarbonylContact O-C 3.55Å; M321-G343 WeakPolarHBondContact O-CA 3.15Å; G343-Y369 VanDerWaalsContact O-CE1 3.32Å; G343-Y369 WeakPolarHBondContact O-CE1 3.18Å
344	V	97.1	Very high	95.2	Very high	32 Å²	32	49 Å²	49	19%	0.194	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.8	176.6	175.3	0	0	0	0	109.3	M321 L322 S323 L346 V363 Y369	M321-V344 PolarHBondContact O-N 2.93Å; M321-V344 VanDerWaalsContact O-N 3.12Å; L322-V344 HydrophobicContact CD1-CB 4.1Å; L322-V344 HydrophobicContact CD1-CG1 4.31Å; S323-V344 PolarHBondContact N-O 3.24Å; V344-L346 HydrophobicContact CG1-CD2 4.41Å; V344-V363 HydrophobicContact CB-CG2 3.96Å; V344-V363 HydrophobicContact CG2-CG2 3.84Å; V344-Y369 HydrophobicContact CG2-CE2 4.26Å; V344-Y369 WeakPolarHBondContact CG2-OH 3.42Å
345	R	95.6	Very high	95.4	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.7	172.1	175.7	-176.5	171.8	167.1	-11.9	109.6	M126 S323 T334	M126-R345 PolarHBondContact O-NH1 3.09Å; S323-R345 CarbonylContact O-C 3.56Å; S323-R345 VanDerWaalsContact O-CA 3.28Å; S323-R345 WeakPolarHBondContact O-CA 3.26Å; T334-R345 WeakPolarHBondContact OG1-CD 3.43Å; T334-R345 PolarHBondContact OG1-NH1 3.37Å
346	L	95.8	Very high	95.6	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.141	25%	0.253	C	S	.	.			trans	-112.7	150.8	165.7	-55.5	177.9	0	0	0	110.5	L322 S323 I324 V344 L351 F356	L322-L346 HydrophobicContact CD1-CD1 3.87Å; L322-L346 HydrophobicContact CD1-CD2 4.46Å; L322-L346 HydrophobicContact CD1-CG 3.8Å; L322-L346 HydrophobicContact CD2-CD1 4.01Å; L322-L346 HydrophobicContact CG-CD1 4.16Å; L322-L346 HydrophobicContact CG-CG 4.45Å; S323-L346 PolarHBondContact O-N 3.45Å; I324-L346 HydrophobicContact CG1-CB 4.24Å; V344-L346 HydrophobicContact CG1-CD2 4.41Å; L346-L351 HydrophobicContact CB-CD2 4.18Å; L346-L351 HydrophobicContact CD1-CD2 3.75Å; L346-F356 HydrophobicContact CD1-CD2 4.2Å
347	D	92.5	Very high	95.8	Very high	52 Å²	52	54.7 Å²	54.7	28%	0.278	27%	0.265	S	S	.	.			trans	-88.6	119.9	172.9	179.8	-7.9	0	0	0	109.9	T349 R350 L351	D347-T349 PolarHBondContact O-N 3.24Å; D347-T349 VanDerWaalsContact O-N 3.14Å; D347-T349 WeakPolarHBondContact OD1-CB 3.49Å; D347-T349 PolarHBondContact OD1-N 2.71Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.03Å; D347-T349 VanDerWaalsContact OD2-OG1 3.04Å; D347-R350 HydrophobicContact CB-CB 4.31Å; D347-R350 HydrophobicContact CB-CG 4.42Å; D347-R350 PolarHBondContact O-N 3.33Å; D347-R350 WeakPolarHBondContact OD2-CD 3.43Å; D347-L351 PolarHBondContact O-N 2.98Å
348	K	91.8	Very high	96	Very high	95 Å²	95	60.3 Å²	60.3	41%	0.413	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-57.1	-28.5	179.7	70.9	177.3	-177.6	175.4	0	113.6	I324 L326 R350 L351	I324-K348 HydrophobicContact CG2-CB 3.95Å; L326-K348 HydrophobicContact CD2-CD 4.25Å; L326-K348 PolarHBondContact O-NZ 3.33Å; K348-R350 VanDerWaalsContact C-N 3.28Å; K348-L351 HydrophobicContact CB-CD1 4.41Å
349	T	91.4	Very high	96.1	Very high	110 Å²	110	56.8 Å²	56.8	68%	0.675	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-80.4	-12.8	-178	68.9	0	0	0	0	112.9	D347	D347-T349 PolarHBondContact O-N 3.24Å; D347-T349 VanDerWaalsContact O-N 3.14Å; D347-T349 WeakPolarHBondContact OD1-CB 3.49Å; D347-T349 PolarHBondContact OD1-N 2.71Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.03Å; D347-T349 VanDerWaalsContact OD2-OG1 3.04Å
350	R	93.2	Very high	96.4	Very high	175 Å²	175	53.7 Å²	53.7	66%	0.66	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-119.1	12.8	-178.4	-59.1	176.1	63.6	-173.5	-0.1	112.1	D347 K348 T352 T355	D347-R350 HydrophobicContact CB-CB 4.31Å; D347-R350 HydrophobicContact CB-CG 4.42Å; D347-R350 PolarHBondContact O-N 3.33Å; D347-R350 WeakPolarHBondContact OD2-CD 3.43Å; K348-R350 VanDerWaalsContact C-N 3.28Å; R350-T352 PolarHBondContact O-N 3.35Å; R350-T355 PolarHBondContact O-OG1 3.3Å
351	L	95.9	Very high	96.6	Very high	26 Å²	26	53 Å²	53	14%	0.136	26%	0.26	C	S	.	.			trans	-69.7	128.1	178.6	-86.4	169.7	0	0	0	110.8	L249 I324 L346 D347 K348 F356	L249-L351 HydrophobicContact CD1-CB 3.58Å; L249-L351 HydrophobicContact CD1-CD1 3.91Å; L249-L351 HydrophobicContact CD1-CG 4.37Å; I324-L351 HydrophobicContact CD1-CD1 4.05Å; I324-L351 HydrophobicContact CD1-CD2 4.36Å; I324-L351 HydrophobicContact CG2-CD1 3.73Å; L346-L351 HydrophobicContact CB-CD2 4.18Å; L346-L351 HydrophobicContact CD1-CD2 3.75Å; D347-L351 PolarHBondContact O-N 2.98Å; K348-L351 HydrophobicContact CB-CD1 4.41Å; L351-F356 HydrophobicContact CD2-CB 4Å; L351-F356 HydrophobicContact CD2-CD2 3.9Å; L351-F356 HydrophobicContact CD2-CG 4.41Å
352	T	97.2	Very high	96.6	Very high	66 Å²	66	54.6 Å²	54.6	41%	0.405	27%	0.269	S	S	.	.			trans	-134.5	166.7	172.5	63.8	0	0	0	0	107.6	R350 E354 T355 F356	R350-T352 PolarHBondContact O-N 3.35Å; T352-E354 PolarHBondContact O-N 3.32Å; T352-T355 PolarHBondContact N-OG1 3.05Å; T352-T355 PolarHBondContact O-N 2.82Å; T352-T355 PolarHBondContact O-OG1 3.32Å; T352-T355 VanDerWaalsContact O-OG1 3.13Å; T352-T355 WeakPolarHBondContact OG1-CG2 2.86Å; T352-T355 PolarHBondContact OG1-N 3.48Å; T352-T355 VanDerWaalsContact OG1-N 3.12Å; T352-T355 PolarHBondContact OG1-OG1 3.36Å; T352-F356 VanDerWaalsContact O-CB 3.28Å; T352-F356 WeakPolarHBondContact O-CB 3.5Å; T352-F356 PolarHBondContact O-N 3.47Å
353	E	97.9	Very high	96.7	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-53	-48.2	174	-179.1	-172.4	148.3	0	0	110.5	A252 S255 A256 N259 F356 Y357	A252-E353 HydrophobicContact CB-CB 4.28Å; S255-E353 VanDerWaalsContact CB-OE2 3.23Å; S255-E353 WeakPolarHBondContact CB-OE2 3.03Å; S255-E353 PolarHBondContact OG-OE1 2.74Å; S255-E353 PolarHBondContact OG-OE2 3.23Å; A256-E353 HydrophobicContact CB-CG 3.92Å; N259-E353 PolarHBondContact ND2-OE1 2.96Å; N259-E353 VanDerWaalsContact ND2-OE1 3.13Å; E353-F356 PolarHBondContact O-N 3.39Å; E353-Y357 WeakPolarHBondContact O-CB 3.26Å; E353-Y357 PolarHBondContact O-N 2.82Å
354	E	98.2	Very high	96.7	Very high	114 Å²	114	56.3 Å²	56.3	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-47.9	-178.1	-173.2	-171	170	0	0	112.5	T352 F356 Y357 K358	T352-E354 PolarHBondContact O-N 3.32Å; E354-F356 VanDerWaalsContact C-N 3.35Å; E354-Y357 PolarHBondContact O-N 2.97Å; E354-K358 HydrophobicContact CG-CD 4.03Å; E354-K358 VanDerWaalsContact O-CB 3.29Å; E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 VanDerWaalsContact O-CG 3.29Å; E354-K358 WeakPolarHBondContact O-CG 3.33Å; E354-K358 PolarHBondContact O-N 3.27Å; E354-K358 VanDerWaalsContact OE1-CE 3.32Å; E354-K358 WeakPolarHBondContact OE1-CE 3.32Å; E354-K358 IonicContact OE1-NZ 2.6Å; E354-K358 PolarHBondContact OE1-NZ 3.18Å
355	T	97.9	Very high	96.7	Very high	53 Å²	53	60.9 Å²	60.9	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-37.1	-178	52.4	0	0	0	0	111.5	R350 T352 G359	R350-T355 PolarHBondContact O-OG1 3.3Å; T352-T355 PolarHBondContact N-OG1 3.05Å; T352-T355 PolarHBondContact O-N 2.82Å; T352-T355 PolarHBondContact O-OG1 3.32Å; T352-T355 VanDerWaalsContact O-OG1 3.13Å; T352-T355 WeakPolarHBondContact OG1-CG2 2.86Å; T352-T355 PolarHBondContact OG1-N 3.48Å; T352-T355 VanDerWaalsContact OG1-N 3.12Å; T352-T355 PolarHBondContact OG1-OG1 3.36Å; T355-G359 PolarHBondContact O-N 3.01Å
356	F	98.5	Very high	96.8	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-48.9	175.6	-172.9	-109.6	0	0	0	111.6	F234 I253 A256 F257 I303 L322 I324 L346 L351 T352 E353 E354 K358 G359 I360	F234-F356 HydrophobicContact CE1-CZ 4.21Å; F234-F356 HydrophobicContact CZ-CZ 4.5Å; I253-F356 HydrophobicContact CB-CE1 4.29Å; I253-F356 HydrophobicContact CG1-CD1 4.34Å; I253-F356 HydrophobicContact CG1-CE1 4.22Å; I253-F356 HydrophobicContact CG1-CE2 4.47Å; I253-F356 HydrophobicContact CG1-CG 4.48Å; I253-F356 HydrophobicContact CG1-CZ 4.29Å; I253-F356 HydrophobicContact CG2-CE1 3.88Å; I253-F356 HydrophobicContact CG2-CZ 4.08Å; A256-F356 HydrophobicContact CB-CD1 3.67Å; A256-F356 HydrophobicContact CB-CE1 4.4Å; F257-F356 AromaticContact CD1-CE1 3.97Å; F257-F356 HydrophobicContact CD1-CE1 3.97Å; F257-F356 AromaticContact CE1-CE1 3.43Å; F257-F356 HydrophobicContact CE1-CE1 3.43Å; F257-F356 VanDerWaalsContact CE1-CE1 3.43Å; F257-F356 AromaticContact CE1-CZ 3.78Å; F257-F356 HydrophobicContact CE1-CZ 3.78Å; F257-F356 AromaticContact CZ-CE1 3.75Å; F257-F356 HydrophobicContact CZ-CE1 3.75Å; F257-F356 AromaticContact CZ-CZ 3.78Å; F257-F356 HydrophobicContact CZ-CZ 3.78Å; I303-F356 HydrophobicContact CD1-CE1 4.44Å; I303-F356 HydrophobicContact CD1-CE2 4.25Å; I303-F356 HydrophobicContact CD1-CZ 3.68Å; I303-F356 HydrophobicContact CG2-CE2 3.96Å; I303-F356 HydrophobicContact CG2-CZ 4.21Å; L322-F356 HydrophobicContact CD2-CD2 4.32Å; L322-F356 HydrophobicContact CD2-CE2 4.19Å; I324-F356 HydrophobicContact CD1-CD2 3.97Å; I324-F356 HydrophobicContact CD1-CE2 3.69Å; L346-F356 HydrophobicContact CD1-CD2 4.2Å; L351-F356 HydrophobicContact CD2-CB 4Å; L351-F356 HydrophobicContact CD2-CD2 3.9Å; L351-F356 HydrophobicContact CD2-CG 4.41Å; T352-F356 VanDerWaalsContact O-CB 3.28Å; T352-F356 WeakPolarHBondContact O-CB 3.5Å; T352-F356 PolarHBondContact O-N 3.47Å; E353-F356 PolarHBondContact O-N 3.39Å; E354-F356 VanDerWaalsContact C-N 3.35Å; F356-K358 PolarHBondContact O-N 3.03Å; F356-G359 PolarHBondContact O-N 3.07Å; F356-I360 HydrophobicContact CD1-CD1 3.88Å; F356-I360 HydrophobicContact CE1-CD1 3.58Å; F356-I360 HydrophobicContact CZ-CD1 4.02Å; F356-I360 WeakPolarHBondContact O-CG1 3.33Å; F356-I360 PolarHBondContact O-N 3.09Å
357	Y	98.6	Very high	96.9	Very high	67 Å²	67	63.8 Å²	63.8	26%	0.263	32%	0.322	S	S	.	.	H	α-helix	trans	-58.1	-48.9	176.5	-179.8	-98.9	0	0	0	112.1	N259 L260 E353 E354 G359 I360 L361	N259-Y357 HydrophobicContact CB-CD2 4.04Å; N259-Y357 HydrophobicContact CB-CE2 3.66Å; N259-Y357 WeakPolarHBondContact O-CE2 3.25Å; L260-Y357 HydrophobicContact CD1-CD2 4.36Å; L260-Y357 HydrophobicContact CD2-CD2 4.22Å; L260-Y357 HydrophobicContact CD2-CE2 3.67Å; L260-Y357 HydrophobicContact CG-CD2 4.06Å; L260-Y357 HydrophobicContact CG-CE2 3.8Å; E353-Y357 WeakPolarHBondContact O-CB 3.26Å; E353-Y357 PolarHBondContact O-N 2.82Å; E354-Y357 PolarHBondContact O-N 2.97Å; Y357-G359 VanDerWaalsContact C-N 3.31Å; Y357-G359 PolarHBondContact O-N 3.1Å; Y357-I360 PolarHBondContact O-N 3.35Å; Y357-L361 HydrophobicContact CD1-CD1 3.97Å; Y357-L361 HydrophobicContact CD1-CG 4.4Å; Y357-L361 HydrophobicContact CE1-CD1 3.27Å; Y357-L361 HydrophobicContact CE1-CG 4.02Å; Y357-L361 HydrophobicContact CE2-CD1 4.5Å; Y357-L361 PolarHBondContact O-N 3.34Å
358	K	98.4	Very high	97.2	Very high	120 Å²	120	61.7 Å²	61.7	52%	0.522	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-39.3	175.9	-75.3	179.4	174.9	177.5	0	112	E354 F356 L361 S362	E354-K358 HydrophobicContact CG-CD 4.03Å; E354-K358 VanDerWaalsContact O-CB 3.29Å; E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 VanDerWaalsContact O-CG 3.29Å; E354-K358 WeakPolarHBondContact O-CG 3.33Å; E354-K358 PolarHBondContact O-N 3.27Å; E354-K358 VanDerWaalsContact OE1-CE 3.32Å; E354-K358 WeakPolarHBondContact OE1-CE 3.32Å; E354-K358 IonicContact OE1-NZ 2.6Å; E354-K358 PolarHBondContact OE1-NZ 3.18Å; F356-K358 PolarHBondContact O-N 3.03Å; K358-L361 PolarHBondContact O-N 3.23Å; K358-S362 WeakPolarHBondContact O-CB 3.43Å; K358-S362 PolarHBondContact O-N 2.8Å
359	G	98.3	Very high	97.5	Very high	5 Å²	5	59.1 Å²	59.1	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-48.1	174.2	0	0	0	0	0	112	T355 F356 Y357 S362 V363	T355-G359 PolarHBondContact O-N 3.01Å; F356-G359 PolarHBondContact O-N 3.07Å; Y357-G359 VanDerWaalsContact C-N 3.31Å; Y357-G359 PolarHBondContact O-N 3.1Å; G359-S362 PolarHBondContact O-N 3.03Å; G359-S362 PolarHBondContact O-OG 2.96Å; G359-V363 PolarHBondContact O-N 2.86Å
360	I	98.8	Very high	97.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-52.6	176.1	-69.2	170	0	0	0	110.9	I232 F257 L260 L301 I303 L322 F356 Y357 S362 V363 L364	I232-I360 HydrophobicContact CD1-CG2 4Å; F257-I360 HydrophobicContact CD1-CD1 4.19Å; F257-I360 HydrophobicContact CE1-CD1 3.83Å; L260-I360 HydrophobicContact CD1-CB 4.35Å; L260-I360 HydrophobicContact CD1-CD1 3.63Å; L260-I360 HydrophobicContact CD1-CG2 3.76Å; L260-I360 HydrophobicContact CD2-CG2 4.35Å; L301-I360 HydrophobicContact CD2-CB 4.21Å; L301-I360 HydrophobicContact CD2-CG1 4.14Å; L301-I360 HydrophobicContact CD2-CG2 3.75Å; I303-I360 HydrophobicContact CD1-CD1 3.75Å; I303-I360 HydrophobicContact CD1-CG1 3.89Å; L322-I360 HydrophobicContact CD2-CG1 3.61Å; F356-I360 HydrophobicContact CD1-CD1 3.88Å; F356-I360 HydrophobicContact CE1-CD1 3.58Å; F356-I360 HydrophobicContact CZ-CD1 4.02Å; F356-I360 WeakPolarHBondContact O-CG1 3.33Å; F356-I360 PolarHBondContact O-N 3.09Å; Y357-I360 PolarHBondContact O-N 3.35Å; I360-S362 VanDerWaalsContact C-N 3.29Å; I360-S362 PolarHBondContact O-N 2.94Å; I360-V363 PolarHBondContact O-N 3.49Å; I360-L364 HydrophobicContact CG2-CD1 3.49Å; I360-L364 VanDerWaalsContact CG2-CD1 3.49Å; I360-L364 HydrophobicContact CG2-CG 4.25Å; I360-L364 WeakPolarHBondContact O-CG 3.41Å; I360-L364 PolarHBondContact O-N 2.89Å; I360-L364 VanDerWaalsContact O-N 3.08Å
361	L	98.5	Very high	98.1	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-36.7	-178.4	-69.3	-171.1	0	0	0	112.8	L260 Y357 K358 V363 L364 H365	L260-L361 HydrophobicContact CD2-CD2 3.95Å; Y357-L361 HydrophobicContact CD1-CD1 3.97Å; Y357-L361 HydrophobicContact CD1-CG 4.4Å; Y357-L361 HydrophobicContact CE1-CD1 3.27Å; Y357-L361 HydrophobicContact CE1-CG 4.02Å; Y357-L361 HydrophobicContact CE2-CD1 4.5Å; Y357-L361 PolarHBondContact O-N 3.34Å; K358-L361 PolarHBondContact O-N 3.23Å; L361-V363 VanDerWaalsContact C-N 3.28Å; L361-V363 PolarHBondContact O-N 3Å; L361-L364 PolarHBondContact O-N 3.29Å; L361-H365 VanDerWaalsContact O-CB 3.26Å; L361-H365 WeakPolarHBondContact O-CB 3.36Å; L361-H365 PolarHBondContact O-N 3.13Å; L361-H365 PolarHBondContact O-ND1 3.39Å
362	S	98.1	Very high	98.2	Very high	46 Å²	46	59.2 Å²	59.2	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-39.1	179.4	71.9	0	0	0	0	112.5	K358 G359 I360 D366	K358-S362 WeakPolarHBondContact O-CB 3.43Å; K358-S362 PolarHBondContact O-N 2.8Å; G359-S362 PolarHBondContact O-N 3.03Å; G359-S362 PolarHBondContact O-OG 2.96Å; I360-S362 VanDerWaalsContact C-N 3.29Å; I360-S362 PolarHBondContact O-N 2.94Å; S362-D366 PolarHBondContact O-N 3.41Å
363	V	98.6	Very high	98.2	Very high	5 Å²	5	56 Å²	56	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-76.9	-41.3	178	-175.7	0	0	0	0	110.9	L301 P320 V344 G359 I360 L361 H365 Y369	L301-V363 HydrophobicContact CD1-CB 3.94Å; L301-V363 HydrophobicContact CD1-CG1 3.63Å; L301-V363 HydrophobicContact CD1-CG2 4.42Å; P320-V363 HydrophobicContact CB-CG1 3.52Å; V344-V363 HydrophobicContact CB-CG2 3.96Å; V344-V363 HydrophobicContact CG2-CG2 3.84Å; G359-V363 PolarHBondContact O-N 2.86Å; I360-V363 PolarHBondContact O-N 3.49Å; L361-V363 VanDerWaalsContact C-N 3.28Å; L361-V363 PolarHBondContact O-N 3Å; V363-H365 VanDerWaalsContact C-N 3.33Å; V363-H365 PolarHBondContact O-N 3.12Å; V363-Y369 HydrophobicContact CB-CD2 4.44Å; V363-Y369 HydrophobicContact CG1-CD2 4.16Å; V363-Y369 HydrophobicContact CG1-CG 4.38Å
364	L	98.3	Very high	98.3	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-29.7	-179.2	-68.4	174.7	0	0	0	113.3	I232 Y263 V300 L301 I360 L361	I232-L364 HydrophobicContact CD1-CD1 4.06Å; Y263-L364 HydrophobicContact CD2-CD1 4.27Å; Y263-L364 HydrophobicContact CE1-CD1 4.27Å; Y263-L364 HydrophobicContact CE1-CD2 4.49Å; Y263-L364 HydrophobicContact CE2-CD1 3.7Å; V300-L364 HydrophobicContact CB-CD2 4.04Å; V300-L364 HydrophobicContact CG2-CD2 3.67Å; L301-L364 HydrophobicContact CB-CD2 3.87Å; L301-L364 HydrophobicContact CD2-CD2 4.43Å; L301-L364 HydrophobicContact CD2-CG 4.28Å; I360-L364 HydrophobicContact CG2-CD1 3.49Å; I360-L364 VanDerWaalsContact CG2-CD1 3.49Å; I360-L364 HydrophobicContact CG2-CG 4.25Å; I360-L364 WeakPolarHBondContact O-CG 3.41Å; I360-L364 PolarHBondContact O-N 2.89Å; I360-L364 VanDerWaalsContact O-N 3.08Å; L361-L364 PolarHBondContact O-N 3.29Å
365	H	97.7	Very high	98.2	Very high	128 Å²	128	57.3 Å²	57.3	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-88.3	-25.4	-178.7	-66.2	166.8	0	0	0	113.8	L361 V363 S367	L361-H365 VanDerWaalsContact O-CB 3.26Å; L361-H365 WeakPolarHBondContact O-CB 3.36Å; L361-H365 PolarHBondContact O-N 3.13Å; L361-H365 PolarHBondContact O-ND1 3.39Å; V363-H365 VanDerWaalsContact C-N 3.33Å; V363-H365 PolarHBondContact O-N 3.12Å; H365-S367 PolarHBondContact O-N 3.37Å
366	D	97.9	Very high	98.1	Very high	65 Å²	65	55.2 Å²	55.2	35%	0.348	27%	0.27	S	S	.	.			trans	-92	95.6	174.2	177.5	18.5	0	0	0	111.3	S362 G368 Y369 R372	S362-D366 PolarHBondContact O-N 3.41Å; D366-G368 PolarHBondContact O-N 2.85Å; D366-G368 VanDerWaalsContact OD1-CA 3.29Å; D366-G368 WeakPolarHBondContact OD1-CA 3.33Å; D366-G368 PolarHBondContact OD1-N 3.41Å; D366-Y369 HydrophobicContact CB-CD2 3.63Å; D366-Y369 HydrophobicContact CB-CE2 3.71Å; D366-Y369 WeakPolarHBondContact O-CD2 3.29Å; D366-Y369 PolarHBondContact O-N 3.28Å; D366-Y369 VanDerWaalsContact O-N 3.11Å; D366-Y369 WeakPolarHBondContact OD2-CE2 3.45Å; D366-R372 IonicContact OD2-NH2 3.25Å; D366-R372 PolarHBondContact OD2-NH2 3.46Å
367	S	97.1	Very high	98	Very high	76 Å²	76	56.2 Å²	56.2	53%	0.531	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-19.1	173.7	69.9	0	0	0	0	113.9	H365 Y369 K370 Q371	H365-S367 PolarHBondContact O-N 3.37Å; S367-Y369 PolarHBondContact O-N 3.41Å; S367-K370 PolarHBondContact O-N 2.82Å; S367-K370 VanDerWaalsContact O-N 3.14Å; S367-Q371 WeakPolarHBondContact O-CG 3.47Å; S367-Q371 PolarHBondContact O-N 3.41Å
368	G	98.4	Very high	97.8	Very high	8 Å²	8	55.7 Å²	55.7	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-33.7	174.7	0	0	0	0	0	112.8	D366 Q371 R372	D366-G368 PolarHBondContact O-N 2.85Å; D366-G368 VanDerWaalsContact OD1-CA 3.29Å; D366-G368 WeakPolarHBondContact OD1-CA 3.33Å; D366-G368 PolarHBondContact OD1-N 3.41Å; G368-Q371 PolarHBondContact O-N 2.91Å; G368-R372 VanDerWaalsContact C-NH2 3.31Å; G368-R372 WeakPolarHBondContact O-CB 3.23Å; G368-R372 WeakPolarHBondContact O-CG 3.08Å; G368-R372 VanDerWaalsContact O-CZ 3.24Å; G368-R372 PolarHBondContact O-N 3.39Å; G368-R372 PolarHBondContact O-NE 3.32Å
369	Y	98.6	Very high	97.5	Very high	40 Å²	40	54.1 Å²	54.1	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-47	174.7	-69.5	-65	0	0	0	111.3	G341 G343 V344 V363 D366 S367 Q371 R372 I373	G341-Y369 WeakPolarHBondContact O-CD1 3.16Å; G343-Y369 VanDerWaalsContact O-CE1 3.32Å; G343-Y369 WeakPolarHBondContact O-CE1 3.18Å; V344-Y369 HydrophobicContact CG2-CE2 4.26Å; V344-Y369 WeakPolarHBondContact CG2-OH 3.42Å; V363-Y369 HydrophobicContact CB-CD2 4.44Å; V363-Y369 HydrophobicContact CG1-CD2 4.16Å; V363-Y369 HydrophobicContact CG1-CG 4.38Å; D366-Y369 HydrophobicContact CB-CD2 3.63Å; D366-Y369 HydrophobicContact CB-CE2 3.71Å; D366-Y369 WeakPolarHBondContact O-CD2 3.29Å; D366-Y369 PolarHBondContact O-N 3.28Å; D366-Y369 VanDerWaalsContact O-N 3.11Å; D366-Y369 WeakPolarHBondContact OD2-CE2 3.45Å; S367-Y369 PolarHBondContact O-N 3.41Å; Y369-Q371 VanDerWaalsContact C-N 3.35Å; Y369-Q371 PolarHBondContact O-N 2.83Å; Y369-R372 PolarHBondContact O-N 3.11Å; Y369-I373 WeakPolarHBondContact O-CG2 3.37Å; Y369-I373 PolarHBondContact O-N 2.83Å
370	K	98.2	Very high	97.1	Very high	84 Å²	84	54.1 Å²	54.1	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-41	177.4	-176.1	64.5	179.2	-170.7	0	111.6	A318 P320 S367 I373 T374	A318-K370 WeakPolarHBondContact O-CD 3.26Å; A318-K370 WeakPolarHBondContact O-CE 3.47Å; A318-K370 PolarHBondContact O-NZ 2.77Å; P320-K370 HydrophobicContact CG-CB 4.02Å; P320-K370 HydrophobicContact CG-CD 4.11Å; S367-K370 PolarHBondContact O-N 2.82Å; S367-K370 VanDerWaalsContact O-N 3.14Å; K370-I373 HydrophobicContact CD-CG2 4.48Å; K370-I373 WeakPolarHBondContact O-CG2 3.3Å; K370-T374 VanDerWaalsContact O-CB 3.26Å; K370-T374 WeakPolarHBondContact O-CB 3.37Å; K370-T374 PolarHBondContact O-N 3.43Å; K370-T374 PolarHBondContact O-OG1 3.19Å
371	Q	98.5	Very high	96.5	Very high	129 Å²	129	58.1 Å²	58.1	60%	0.603	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-48.8	177.5	-68.2	172.1	18.1	0	0	111.8	S367 G368 Y369 T374 K375	S367-Q371 WeakPolarHBondContact O-CG 3.47Å; S367-Q371 PolarHBondContact O-N 3.41Å; G368-Q371 PolarHBondContact O-N 2.91Å; Y369-Q371 VanDerWaalsContact C-N 3.35Å; Y369-Q371 PolarHBondContact O-N 2.83Å; Q371-T374 PolarHBondContact O-N 2.84Å; Q371-K375 PolarHBondContact O-N 3.49Å
372	R	98.4	Very high	96.1	Very high	100 Å²	100	62.7 Å²	62.7	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-45.3	-179.7	-72.5	179.9	-65.1	-97.9	4.2	112	G341 L342 D366 G368 Y369 K375 L376	G341-R372 PolarHBondContact O-NE 3.35Å; G341-R372 PolarHBondContact O-NH2 2.88Å; L342-R372 HydrophobicContact CD2-CB 4.43Å; D366-R372 IonicContact OD2-NH2 3.25Å; D366-R372 PolarHBondContact OD2-NH2 3.46Å; G368-R372 VanDerWaalsContact C-NH2 3.31Å; G368-R372 WeakPolarHBondContact O-CB 3.23Å; G368-R372 WeakPolarHBondContact O-CG 3.08Å; G368-R372 VanDerWaalsContact O-CZ 3.24Å; G368-R372 PolarHBondContact O-N 3.39Å; G368-R372 PolarHBondContact O-NE 3.32Å; Y369-R372 PolarHBondContact O-N 3.11Å; R372-K375 PolarHBondContact O-N 3.34Å; R372-L376 PolarHBondContact O-N 3.25Å
373	I	98.2	Very high	95.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.7	-33.2	179.2	-157.8	173.9	0	0	0	112.9	A314 V315 A318 V319 P320 M321 L342 Y369 K370 L376 S377	A314-I373 WeakPolarHBondContact O-CD1 3.22Å; V315-I373 HydrophobicContact CG1-CG1 4.48Å; V315-I373 HydrophobicContact CG2-CD1 4.29Å; V315-I373 HydrophobicContact CG2-CG1 4.35Å; A318-I373 HydrophobicContact CB-CG2 4.32Å; A318-I373 WeakPolarHBondContact O-CG2 3.41Å; V319-I373 WeakPolarHBondContact O-CD1 3.27Å; P320-I373 HydrophobicContact CG-CG2 4.08Å; M321-I373 HydrophobicContact CE-CD1 4.36Å; L342-I373 HydrophobicContact CB-CD1 4.33Å; L342-I373 HydrophobicContact CD2-CB 3.83Å; L342-I373 HydrophobicContact CD2-CG1 4Å; Y369-I373 WeakPolarHBondContact O-CG2 3.37Å; Y369-I373 PolarHBondContact O-N 2.83Å; K370-I373 HydrophobicContact CD-CG2 4.48Å; K370-I373 WeakPolarHBondContact O-CG2 3.3Å; I373-L376 PolarHBondContact O-N 2.89Å; I373-S377 WeakPolarHBondContact O-CB 3.45Å; I373-S377 PolarHBondContact O-N 3.47Å
374	T	98.1	Very high	94.9	Very high	65 Å²	65	71 Å²	71	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-43.5	173.6	-57.4	0	0	0	0	110.8	K370 Q371 L376 S377 A378	K370-T374 VanDerWaalsContact O-CB 3.26Å; K370-T374 WeakPolarHBondContact O-CB 3.37Å; K370-T374 PolarHBondContact O-N 3.43Å; K370-T374 PolarHBondContact O-OG1 3.19Å; Q371-T374 PolarHBondContact O-N 2.84Å; T374-L376 PolarHBondContact O-N 2.68Å; T374-S377 WeakPolarHBondContact O-CB 3.49Å; T374-S377 PolarHBondContact O-N 2.83Å; T374-A378 PolarHBondContact O-N 3.47Å
375	K	97.6	Very high	94.4	Very high	146 Å²	146	73.2 Å²	73.2	64%	0.635	39%	0.385	S	S	*	.	H	α-helix	trans	-60.8	-44.8	173.8	-174.1	-178.3	177.6	179.8	0	111.4	Q371 R372 A378 M379	Q371-K375 PolarHBondContact O-N 3.49Å; R372-K375 PolarHBondContact O-N 3.34Å; K375-A378 PolarHBondContact O-N 2.86Å; K375-M379 HydrophobicContact CG-CE 4.18Å; K375-M379 WeakPolarHBondContact O-CG 3.49Å; K375-M379 PolarHBondContact O-N 3.33Å
376	L	95.8	Very high	93.8	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-39.8	178.8	-173.6	59.4	0	0	0	112.6	L192 V315 H340 L342 R372 I373 T374 M379 L380	L192-L376 HydrophobicContact CD2-CD2 4.08Å; L192-L376 HydrophobicContact CD2-CG 4.39Å; V315-L376 HydrophobicContact CG1-CB 4.21Å; V315-L376 HydrophobicContact CG1-CD2 3.78Å; V315-L376 HydrophobicContact CG1-CG 3.68Å; V315-L376 HydrophobicContact CG2-CD2 4.35Å; H340-L376 HydrophobicContact CB-CD2 4.4Å; L342-L376 HydrophobicContact CD1-CD2 3.63Å; L342-L376 HydrophobicContact CD2-CD2 3.95Å; L342-L376 HydrophobicContact CG-CD2 4.39Å; R372-L376 PolarHBondContact O-N 3.25Å; I373-L376 PolarHBondContact O-N 2.89Å; T374-L376 PolarHBondContact O-N 2.68Å; L376-M379 HydrophobicContact CB-CE 4.29Å; L376-M379 HydrophobicContact CD1-CE 3.74Å; L376-M379 PolarHBondContact O-N 3.15Å; L376-L380 WeakPolarHBondContact O-CB 3.49Å; L376-L380 PolarHBondContact O-N 2.62Å
377	S	95.2	Very high	93.2	Very high	21 Å²	21	68.5 Å²	68.5	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-57.1	-47.4	172.8	179.7	0	0	0	0	112	V315 C316 I373 T374 M379 L380 S381	V315-S377 WeakPolarHBondContact O-CB 3.29Å; V315-S377 PolarHBondContact O-OG 3.49Å; C316-S377 PolarHBondContact O-OG 3.22Å; I373-S377 WeakPolarHBondContact O-CB 3.45Å; I373-S377 PolarHBondContact O-N 3.47Å; T374-S377 WeakPolarHBondContact O-CB 3.49Å; T374-S377 PolarHBondContact O-N 2.83Å; S377-M379 PolarHBondContact O-N 3.02Å; S377-L380 WeakPolarHBondContact O-CB 3.09Å; S377-L380 PolarHBondContact O-N 3.42Å; S377-S381 PolarHBondContact O-N 3.31Å; S377-S381 VanDerWaalsContact O-N 3.1Å; S377-S381 PolarHBondContact O-OG 3.37Å; S377-S381 VanDerWaalsContact O-OG 3.08Å
378	A	94.5	Very high	92.8	Very high	57 Å²	57	65.1 Å²	65.1	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-45.3	176.6	0	0	0	0	0	111.3	T374 K375 L380 S381 D382	T374-A378 PolarHBondContact O-N 3.47Å; K375-A378 PolarHBondContact O-N 2.86Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 2.98Å; A378-S381 PolarHBondContact O-N 3.1Å; A378-S381 PolarHBondContact O-OG 3.01Å; A378-D382 WeakPolarHBondContact O-CB 3.29Å; A378-D382 PolarHBondContact O-N 3.23Å; A378-D382 VanDerWaalsContact O-N 3.09Å
379	M	92.3	Very high	92.4	Very high	87 Å²	87	71.1 Å²	71.1	43%	0.429	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-34.9	175.8	-68	-175.6	-61.1	0	0	112.7	K191 K375 L376 S377 S381 D382	K191-M379 WeakPolarHBondContact CD-O 3.29Å; K191-M379 WeakPolarHBondContact CE-O 3.17Å; K191-M379 PolarHBondContact NZ-O 2.87Å; K375-M379 HydrophobicContact CG-CE 4.18Å; K375-M379 WeakPolarHBondContact O-CG 3.49Å; K375-M379 PolarHBondContact O-N 3.33Å; L376-M379 HydrophobicContact CB-CE 4.29Å; L376-M379 HydrophobicContact CD1-CE 3.74Å; L376-M379 PolarHBondContact O-N 3.15Å; S377-M379 PolarHBondContact O-N 3.02Å; M379-S381 VanDerWaalsContact C-N 3.33Å; M379-D382 PolarHBondContact O-N 3.07Å
380	L	90.2	Very high	92.1	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-67.2	-35.6	179.4	-169.5	68.8	0	0	0	111.9	S189 K191 L192 D206 V315 L376 S377 A378 N383	S189-L380 WeakPolarHBondContact OG-CD1 3.31Å; K191-L380 HydrophobicContact CB-CD1 4.43Å; L192-L380 HydrophobicContact CD1-CD1 4.31Å; L192-L380 HydrophobicContact CD1-CD2 4.5Å; L192-L380 HydrophobicContact CD2-CD1 4.27Å; L192-L380 HydrophobicContact CD2-CD2 4.41Å; L192-L380 HydrophobicContact CG-CD1 4.05Å; D206-L380 WeakPolarHBondContact OD2-CD1 3.45Å; V315-L380 HydrophobicContact CG1-CD2 4.19Å; L376-L380 WeakPolarHBondContact O-CB 3.49Å; L376-L380 PolarHBondContact O-N 2.62Å; S377-L380 WeakPolarHBondContact O-CB 3.09Å; S377-L380 PolarHBondContact O-N 3.42Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 2.98Å; L380-N383 PolarHBondContact O-ND2 3.5Å
381	S	86.4	Confident	91.8	Very high	85 Å²	85	67.6 Å²	67.6	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-83.3	-20.7	178.9	50.4	0	0	0	0	114	S377 A378 M379 N383	S377-S381 PolarHBondContact O-N 3.31Å; S377-S381 VanDerWaalsContact O-N 3.1Å; S377-S381 PolarHBondContact O-OG 3.37Å; S377-S381 VanDerWaalsContact O-OG 3.08Å; A378-S381 PolarHBondContact O-N 3.1Å; A378-S381 PolarHBondContact O-OG 3.01Å; M379-S381 VanDerWaalsContact C-N 3.33Å; S381-N383 PolarHBondContact O-N 3.28Å
382	D	89.6	Confident	91.6	Very high	127 Å²	127	61.6 Å²	61.6	68%	0.679	32%	0.321	S	S	*	.			trans	-85.3	91.7	178.3	-164	5.4	0	0	0	111.4	K191 A378 M379	K191-D382 PolarHBondContact NZ-O 3.49Å; A378-D382 WeakPolarHBondContact O-CB 3.29Å; A378-D382 PolarHBondContact O-N 3.23Å; A378-D382 VanDerWaalsContact O-N 3.09Å; M379-D382 PolarHBondContact O-N 3.07Å
383	N	85.9	Confident	91.4	Very high	51 Å²	51	61.6 Å²	61.6	27%	0.273	32%	0.324	S	S	.	.			trans	-125.7	146	179	-60.5	-69.3	0	0	0	110.6	K191 L380 S381 I385 E387	K191-N383 PolarHBondContact NZ-OD1 3.3Å; L380-N383 PolarHBondContact O-ND2 3.5Å; S381-N383 PolarHBondContact O-N 3.28Å; N383-I385 VanDerWaalsContact C-N 3.28Å; N383-I385 WeakPolarHBondContact CB-O 3.15Å; N383-I385 PolarHBondContact O-N 3.37Å; N383-E387 HydrophobicContact CB-CG 4.22Å
384	L	86.2	Confident	91.1	Very high	174 Å²	174	63.8 Å²	63.8	91%	0.911	33%	0.332	S	S	*	.	S	Bend	trans	-58.8	-41.3	177.3	-179.3	66.5	0	0	0	112.2
385	I	86.9	Confident	91	Very high	81 Å²	81	60.8 Å²	60.8	42%	0.415	31%	0.314	S	S	.	.	S	Bend	trans	-135.4	156.1	173.9	55.6	175.9	0	0	0	108.7	N383 E387 K390	N383-I385 VanDerWaalsContact C-N 3.28Å; N383-I385 WeakPolarHBondContact CB-O 3.15Å; N383-I385 PolarHBondContact O-N 3.37Å; I385-E387 PolarHBondContact O-N 3.42Å; I385-E387 VanDerWaalsContact O-N 3.08Å; I385-K390 HydrophobicContact CD1-CB 3.51Å; I385-K390 HydrophobicContact CD1-CD 4.37Å; I385-K390 HydrophobicContact CD1-CG 3.87Å; I385-K390 HydrophobicContact CG1-CB 4.04Å
386	D	85.8	Confident	90.9	Very high	66 Å²	66	54.7 Å²	54.7	35%	0.353	29%	0.288	S	S	.	.			trans	-53.7	120	166.2	178.7	-84.1	0	0	0	108.7	T388 K389 K390	D386-T388 PolarHBondContact O-N 2.9Å; D386-T388 WeakPolarHBondContact OD1-CA 3.26Å; D386-T388 VanDerWaalsContact OD1-CB 3.3Å; D386-T388 WeakPolarHBondContact OD1-CB 3.23Å; D386-T388 PolarHBondContact OD1-N 2.79Å; D386-K389 HydrophobicContact CB-CB 4.09Å; D386-K389 HydrophobicContact CB-CD 4.05Å; D386-K389 HydrophobicContact CB-CG 3.93Å; D386-K389 CarbonylContact O-C 3.48Å; D386-K389 WeakPolarHBondContact O-CA 3.37Å; D386-K389 WeakPolarHBondContact O-CB 3.36Å; D386-K389 PolarHBondContact O-N 3.17Å; D386-K389 PolarHBondContact OD1-N 2.74Å; D386-K390 PolarHBondContact O-N 3.44Å
387	E	86.2	Confident	90.9	Very high	28 Å²	28	56.8 Å²	56.8	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-72.2	-23	-170.2	-78.1	-80	141.2	0	0	111.2	I205 D206 N383 I385 K390 G391	I205-E387 WeakPolarHBondContact CG2-O 3.24Å; D206-E387 HydrophobicContact CB-CB 3.5Å; D206-E387 VanDerWaalsContact CB-CB 3.5Å; D206-E387 HydrophobicContact CB-CG 3.63Å; D206-E387 CarbonylContact O-C 3.45Å; D206-E387 WeakPolarHBondContact O-CB 3.12Å; N383-E387 HydrophobicContact CB-CG 4.22Å; I385-E387 PolarHBondContact O-N 3.42Å; I385-E387 VanDerWaalsContact O-N 3.08Å; E387-K390 VanDerWaalsContact CD-CD 3.47Å; E387-K390 VanDerWaalsContact CD-NZ 3.25Å; E387-K390 VanDerWaalsContact O-CB 3.31Å; E387-K390 WeakPolarHBondContact O-CB 3.44Å; E387-K390 PolarHBondContact O-N 2.83Å; E387-K390 VanDerWaalsContact OE1-CD 3.29Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 IonicContact OE1-NZ 3.09Å; E387-K390 PolarHBondContact OE1-NZ 2.73Å; E387-K390 WeakPolarHBondContact OE2-CD 3.43Å; E387-K390 IonicContact OE2-NZ 3.24Å; E387-K390 PolarHBondContact OE2-NZ 2.92Å; E387-G391 PolarHBondContact O-N 3.13Å
388	T	87.5	Confident	90.9	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-70.5	-36.7	169.5	-46.1	0	0	0	0	110.9	P17 N21 D206 Y207 D386 K390 G391 S392	P17-T388 HydrophobicContact CB-CG2 4.03Å; P17-T388 WeakPolarHBondContact O-CG2 3.4Å; N21-T388 HydrophobicContact CB-CG2 4.34Å; N21-T388 VanDerWaalsContact ND2-C 3.29Å; N21-T388 VanDerWaalsContact ND2-CB 3.3Å; N21-T388 WeakPolarHBondContact ND2-CB 3.29Å; N21-T388 WeakPolarHBondContact ND2-CG2 3.32Å; N21-T388 PolarHBondContact ND2-O 2.88Å; D206-T388 PolarHBondContact O-N 2.8Å; Y207-T388 HydrophobicContact CD1-CG2 4.08Å; Y207-T388 WeakPolarHBondContact CD1-OG1 3.36Å; Y207-T388 HydrophobicContact CE1-CG2 4.07Å; D386-T388 PolarHBondContact O-N 2.9Å; D386-T388 WeakPolarHBondContact OD1-CA 3.26Å; D386-T388 VanDerWaalsContact OD1-CB 3.3Å; D386-T388 WeakPolarHBondContact OD1-CB 3.23Å; D386-T388 PolarHBondContact OD1-N 2.79Å; T388-K390 VanDerWaalsContact C-N 3.35Å; T388-G391 PolarHBondContact O-N 3.1Å; T388-S392 PolarHBondContact O-N 3.03Å
389	K	90.2	Very high	90.9	Very high	133 Å²	133	57 Å²	57	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-66.6	-33.5	169.3	-67.8	-173.1	-179.7	-177.1	0	112.4	N21 D386 G391 S392 F393	N21-K389 PolarHBondContact ND2-N 3.16Å; D386-K389 HydrophobicContact CB-CB 4.09Å; D386-K389 HydrophobicContact CB-CD 4.05Å; D386-K389 HydrophobicContact CB-CG 3.93Å; D386-K389 CarbonylContact O-C 3.48Å; D386-K389 WeakPolarHBondContact O-CA 3.37Å; D386-K389 WeakPolarHBondContact O-CB 3.36Å; D386-K389 PolarHBondContact O-N 3.17Å; D386-K389 PolarHBondContact OD1-N 2.74Å; K389-G391 VanDerWaalsContact C-N 3.32Å; K389-S392 PolarHBondContact O-N 3.23Å; K389-S392 PolarHBondContact O-OG 2.69Å; K389-F393 WeakPolarHBondContact O-CB 3.41Å; K389-F393 PolarHBondContact O-N 2.88Å
390	K	91.3	Very high	91	Very high	49 Å²	49	59.4 Å²	59.4	21%	0.213	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-43.2	171.2	-178.3	-174.3	174.1	-172.6	0	111.2	I385 D386 E387 T388 F393 W394	I385-K390 HydrophobicContact CD1-CB 3.51Å; I385-K390 HydrophobicContact CD1-CD 4.37Å; I385-K390 HydrophobicContact CD1-CG 3.87Å; I385-K390 HydrophobicContact CG1-CB 4.04Å; D386-K390 PolarHBondContact O-N 3.44Å; E387-K390 VanDerWaalsContact CD-CD 3.47Å; E387-K390 VanDerWaalsContact CD-NZ 3.25Å; E387-K390 VanDerWaalsContact O-CB 3.31Å; E387-K390 WeakPolarHBondContact O-CB 3.44Å; E387-K390 PolarHBondContact O-N 2.83Å; E387-K390 VanDerWaalsContact OE1-CD 3.29Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 IonicContact OE1-NZ 3.09Å; E387-K390 PolarHBondContact OE1-NZ 2.73Å; E387-K390 WeakPolarHBondContact OE2-CD 3.43Å; E387-K390 IonicContact OE2-NZ 3.24Å; E387-K390 PolarHBondContact OE2-NZ 2.92Å; T388-K390 VanDerWaalsContact C-N 3.35Å; K390-F393 WeakPolarHBondContact O-CB 3.45Å; K390-F393 PolarHBondContact O-N 3.03Å; K390-W394 PolarHBondContact O-N 3.17Å
391	G	92.3	Very high	91.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-53.7	173.8	0	0	0	0	0	112.2	I205 E387 T388 K389 F393 W394 I395	I205-G391 VanDerWaalsContact CD1-CA 3.43Å; E387-G391 PolarHBondContact O-N 3.13Å; T388-G391 PolarHBondContact O-N 3.1Å; K389-G391 VanDerWaalsContact C-N 3.32Å; G391-F393 VanDerWaalsContact C-N 3.3Å; G391-F393 PolarHBondContact O-N 2.75Å; G391-W394 PolarHBondContact O-N 3.14Å; G391-I395 WeakPolarHBondContact O-CG1 3.44Å; G391-I395 PolarHBondContact O-N 3.3Å; G391-I395 VanDerWaalsContact O-N 3.16Å
392	S	94.1	Very high	91.3	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-36	178.8	80.2	0	0	0	0	112	D25 T388 K389 W394 I395 N396	D25-S392 WeakPolarHBondContact OD2-CB 3.29Å; D25-S392 PolarHBondContact OD2-OG 3.21Å; T388-S392 PolarHBondContact O-N 3.03Å; K389-S392 PolarHBondContact O-N 3.23Å; K389-S392 PolarHBondContact O-OG 2.69Å; S392-W394 PolarHBondContact O-N 3.28Å; S392-I395 PolarHBondContact O-N 3.37Å; S392-N396 WeakPolarHBondContact O-CB 3.45Å; S392-N396 PolarHBondContact O-N 3.28Å; S392-N396 PolarHBondContact O-ND2 3.26Å; S392-N396 VanDerWaalsContact O-ND2 3.16Å
393	F	94.1	Very high	91.1	Very high	99 Å²	99	64.2 Å²	64.2	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-57.2	-49.2	173.8	173.8	-90.1	0	0	0	112.3	K389 K390 G391 I395 N396 F397	K389-F393 WeakPolarHBondContact O-CB 3.41Å; K389-F393 PolarHBondContact O-N 2.88Å; K390-F393 WeakPolarHBondContact O-CB 3.45Å; K390-F393 PolarHBondContact O-N 3.03Å; G391-F393 VanDerWaalsContact C-N 3.3Å; G391-F393 PolarHBondContact O-N 2.75Å; F393-I395 VanDerWaalsContact C-N 3.33Å; F393-I395 PolarHBondContact O-N 3.18Å; F393-N396 PolarHBondContact O-N 3.23Å; F393-F397 HydrophobicContact CE1-CB 4.47Å; F393-F397 VanDerWaalsContact O-CB 3.29Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.27Å
394	W	93.7	Very high	91.3	Very high	46 Å²	46	62.4 Å²	62.4	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-38	179.8	-80.1	116.5	0	0	0	112.3	Y183 M200 F203 K390 G391 S392 F397 Y398 M408	Y183-W394 HydrophobicContact CE2-CB 4.08Å; Y183-W394 VanDerWaalsContact CE2-O 3.24Å; Y183-W394 WeakPolarHBondContact CE2-O 3.21Å; Y183-W394 PolarHBondContact OH-O 2.91Å; M200-W394 HydrophobicContact CE-CH2 3.23Å; M200-W394 HydrophobicContact CE-CZ2 3.6Å; M200-W394 HydrophobicContact CE-CZ3 4.14Å; F203-W394 HydrophobicContact CE1-CG 4.24Å; F203-W394 AromaticContact CE2-CD1 3.78Å; F203-W394 HydrophobicContact CE2-CG 4.43Å; F203-W394 HydrophobicContact CZ-CB 3.85Å; F203-W394 AromaticContact CZ-CD1 3.41Å; F203-W394 VanDerWaalsContact CZ-CD1 3.41Å; F203-W394 AromaticContact CZ-CG 3.65Å; F203-W394 HydrophobicContact CZ-CG 3.65Å; K390-W394 PolarHBondContact O-N 3.17Å; G391-W394 PolarHBondContact O-N 3.14Å; S392-W394 PolarHBondContact O-N 3.28Å; W394-F397 HydrophobicContact CE3-CB 4.38Å; W394-F397 HydrophobicContact CE3-CD1 4.29Å; W394-F397 HydrophobicContact CE3-CG 4.35Å; W394-F397 HydrophobicContact CZ3-CD1 4.25Å; W394-F397 HydrophobicContact CZ3-CG 4.38Å; W394-F397 WeakPolarHBondContact O-CB 3.34Å; W394-F397 PolarHBondContact O-N 3.06Å; W394-Y398 PolarHBondContact O-N 3.14Å; W394-M408 HydrophobicContact CZ3-CE 3.98Å; W394-M408 HydrophobicContact CZ3-SD 4.23Å
395	I	95.1	Very high	91.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-50.8	173.8	-66.3	174.8	0	0	0	110.1	L18 L22 L72 I74 I96 G391 S392 F393 F397 Y398 L399	L18-I395 HydrophobicContact CD1-CD1 4.13Å; L18-I395 HydrophobicContact CD2-CD1 3.98Å; L18-I395 HydrophobicContact CG-CD1 4.24Å; L22-I395 HydrophobicContact CD1-CD1 3.93Å; L22-I395 HydrophobicContact CD1-CG2 4.31Å; L22-I395 HydrophobicContact CD2-CB 4Å; L22-I395 HydrophobicContact CD2-CD1 4.31Å; L22-I395 HydrophobicContact CD2-CG2 3.68Å; L72-I395 HydrophobicContact CD2-CG2 3.63Å; I74-I395 HydrophobicContact CD1-CD1 3.89Å; I96-I395 HydrophobicContact CD1-CD1 4.02Å; I96-I395 HydrophobicContact CD1-CG1 3.6Å; G391-I395 WeakPolarHBondContact O-CG1 3.44Å; G391-I395 PolarHBondContact O-N 3.3Å; G391-I395 VanDerWaalsContact O-N 3.16Å; S392-I395 PolarHBondContact O-N 3.37Å; F393-I395 VanDerWaalsContact C-N 3.33Å; F393-I395 PolarHBondContact O-N 3.18Å; I395-F397 VanDerWaalsContact C-N 3.26Å; I395-F397 PolarHBondContact O-N 2.95Å; I395-Y398 WeakPolarHBondContact O-CB 3.31Å; I395-Y398 PolarHBondContact O-N 3.46Å; I395-Y398 VanDerWaalsContact O-N 3.12Å; I395-L399 HydrophobicContact CG2-CD1 4.11Å; I395-L399 WeakPolarHBondContact O-CG 3.32Å; I395-L399 PolarHBondContact O-N 3.47Å
396	N	95.8	Very high	91.2	Very high	18 Å²	18	53.6 Å²	53.6	10%	0.096	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-35.6	177.1	-65.2	-26	0	0	0	111.9	D25 H27 S392 F393 Y398 L399 R400	D25-N396 PolarHBondContact OD2-ND2 3.2Å; H27-N396 PolarHBondContact NE2-OD1 2.77Å; S392-N396 WeakPolarHBondContact O-CB 3.45Å; S392-N396 PolarHBondContact O-N 3.28Å; S392-N396 PolarHBondContact O-ND2 3.26Å; S392-N396 VanDerWaalsContact O-ND2 3.16Å; F393-N396 PolarHBondContact O-N 3.23Å; N396-Y398 VanDerWaalsContact C-N 3.32Å; N396-L399 PolarHBondContact O-N 3.01Å; N396-R400 VanDerWaalsContact CB-NH1 3.28Å; N396-R400 WeakPolarHBondContact O-CB 3.22Å; N396-R400 WeakPolarHBondContact O-CG 3.28Å; N396-R400 PolarHBondContact O-N 3.47Å
397	F	95.4	Very high	91.4	Very high	53 Å²	53	58.5 Å²	58.5	23%	0.232	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-44.9	175.1	177.9	-84.3	0	0	0	110.9	F393 W394 I395 R400 H401 M408	F393-F397 HydrophobicContact CE1-CB 4.47Å; F393-F397 VanDerWaalsContact O-CB 3.29Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.27Å; W394-F397 HydrophobicContact CE3-CB 4.38Å; W394-F397 HydrophobicContact CE3-CD1 4.29Å; W394-F397 HydrophobicContact CE3-CG 4.35Å; W394-F397 HydrophobicContact CZ3-CD1 4.25Å; W394-F397 HydrophobicContact CZ3-CG 4.38Å; W394-F397 WeakPolarHBondContact O-CB 3.34Å; W394-F397 PolarHBondContact O-N 3.06Å; I395-F397 VanDerWaalsContact C-N 3.26Å; I395-F397 PolarHBondContact O-N 2.95Å; F397-R400 PolarHBondContact O-N 3.13Å; F397-H401 AromaticContact CD2-ND1 3.74Å; F397-H401 AromaticContact CE2-CE1 3.81Å; F397-H401 AromaticContact CE2-ND1 3.61Å; F397-H401 AromaticContact CZ-ND1 3.79Å; F397-H401 PolarHBondContact O-N 3.3Å; F397-H401 PolarHBondContact O-ND1 2.8Å; F397-M408 HydrophobicContact CD1-CE 3.79Å; F397-M408 HydrophobicContact CE1-CE 3.28Å; F397-M408 HydrophobicContact CZ-CE 4.17Å
398	Y	95	Very high	91.5	Very high	28 Å²	28	58.7 Å²	58.7	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-43.9	175.3	176.4	-98	0	0	0	111.8	P94 V182 W394 I395 N396 R400 H401 A405	P94-Y398 HydrophobicContact CB-CE1 3.52Å; P94-Y398 WeakPolarHBondContact CB-OH 3.28Å; P94-Y398 HydrophobicContact CG-CE1 3.73Å; V182-Y398 HydrophobicContact CB-CD2 4.38Å; V182-Y398 HydrophobicContact CB-CE2 4.33Å; V182-Y398 HydrophobicContact CG1-CD1 3.98Å; V182-Y398 HydrophobicContact CG1-CD2 3.32Å; V182-Y398 HydrophobicContact CG1-CE1 4.34Å; V182-Y398 HydrophobicContact CG1-CE2 3.71Å; V182-Y398 HydrophobicContact CG1-CG 3.47Å; V182-Y398 VanDerWaalsContact CG1-CG 3.47Å; V182-Y398 HydrophobicContact CG2-CD1 4.25Å; V182-Y398 HydrophobicContact CG2-CD2 4.12Å; V182-Y398 HydrophobicContact CG2-CE1 3.8Å; V182-Y398 HydrophobicContact CG2-CE2 3.62Å; V182-Y398 HydrophobicContact CG2-CG 4.4Å; V182-Y398 VanDerWaalsContact CG2-CZ 3.46Å; W394-Y398 PolarHBondContact O-N 3.14Å; I395-Y398 WeakPolarHBondContact O-CB 3.31Å; I395-Y398 PolarHBondContact O-N 3.46Å; I395-Y398 VanDerWaalsContact O-N 3.12Å; N396-Y398 VanDerWaalsContact C-N 3.32Å; Y398-R400 VanDerWaalsContact C-N 3.33Å; Y398-R400 PolarHBondContact O-N 3.28Å; Y398-H401 CarbonylContact O-C 3.59Å; Y398-H401 PolarHBondContact O-N 2.53Å; Y398-H401 VanDerWaalsContact O-N 3.15Å; Y398-H401 VanDerWaalsContact O-O 3.09Å; Y398-A405 HydrophobicContact CD2-CB 4.15Å; Y398-A405 HydrophobicContact CE2-CB 3.88Å
399	L	94.5	Very high	91.6	Very high	56 Å²	56	62.5 Å²	62.5	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-36.1	179.2	-66.8	174.2	0	0	0	112.6	L72 I395 N396	L72-L399 HydrophobicContact CB-CD2 4.39Å; L72-L399 HydrophobicContact CD2-CD2 4.46Å; I395-L399 HydrophobicContact CG2-CD1 4.11Å; I395-L399 WeakPolarHBondContact O-CG 3.32Å; I395-L399 PolarHBondContact O-N 3.47Å; N396-L399 PolarHBondContact O-N 3.01Å
400	R	95.1	Very high	91.8	Very high	136 Å²	136	59.1 Å²	59.1	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-72.8	-28.5	173.5	-71.8	-171.4	-57	-90.8	-2.1	113.3	N396 F397 Y398 P402	N396-R400 VanDerWaalsContact CB-NH1 3.28Å; N396-R400 WeakPolarHBondContact O-CB 3.22Å; N396-R400 WeakPolarHBondContact O-CG 3.28Å; N396-R400 PolarHBondContact O-N 3.47Å; F397-R400 PolarHBondContact O-N 3.13Å; Y398-R400 VanDerWaalsContact C-N 3.33Å; Y398-R400 PolarHBondContact O-N 3.28Å; R400-P402 VanDerWaalsContact C-CD 3.5Å
401	H	94.6	Very high	91.7	Very high	91 Å²	91	65 Å²	65	42%	0.421	31%	0.307	S	S	.	.	S	Bend	trans	-127.5	74.5	-178.8	-47.5	102.6	0	0	0	110.2	F397 Y398 H403 S404	F397-H401 AromaticContact CD2-ND1 3.74Å; F397-H401 AromaticContact CE2-CE1 3.81Å; F397-H401 AromaticContact CE2-ND1 3.61Å; F397-H401 AromaticContact CZ-ND1 3.79Å; F397-H401 PolarHBondContact O-N 3.3Å; F397-H401 PolarHBondContact O-ND1 2.8Å; Y398-H401 CarbonylContact O-C 3.59Å; Y398-H401 PolarHBondContact O-N 2.53Å; Y398-H401 VanDerWaalsContact O-N 3.15Å; Y398-H401 VanDerWaalsContact O-O 3.09Å; H401-H403 PolarHBondContact O-N 3.17Å; H401-S404 WeakPolarHBondContact O-CB 3.23Å; H401-S404 PolarHBondContact O-N 2.7Å; H401-S404 VanDerWaalsContact O-N 3.07Å; H401-S404 PolarHBondContact O-OG 2.89Å
402	P	87.7	Confident	91.7	Very high	80 Å²	80	65.5 Å²	65.5	52%	0.519	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	144	174.2	-25.5	34.6	0	0	0	110.6	R400 S404	R400-P402 VanDerWaalsContact C-CD 3.5Å; P402-S404 PolarHBondContact O-N 3.05Å
403	H	86.4	Confident	91.6	Very high	146 Å²	146	66.7 Å²	66.7	68%	0.676	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-5.4	-175.1	-42.9	-70.3	0	0	0	116.9	H401 A405 S406	H401-H403 PolarHBondContact O-N 3.17Å; H403-A405 PolarHBondContact O-N 3.13Å; H403-S406 WeakPolarHBondContact O-CB 3.44Å; H403-S406 PolarHBondContact O-N 3.38Å; H403-S406 PolarHBondContact O-OG 2.89Å
404	S	89.3	Confident	91.4	Very high	14 Å²	14	68 Å²	68	10%	0.098	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.2	175.2	56.7	0	0	0	0	113.8	H401 P402 S406 H407	H401-S404 WeakPolarHBondContact O-CB 3.23Å; H401-S404 PolarHBondContact O-N 2.7Å; H401-S404 VanDerWaalsContact O-N 3.07Å; H401-S404 PolarHBondContact O-OG 2.89Å; P402-S404 PolarHBondContact O-N 3.05Å; S404-S406 PolarHBondContact O-N 2.83Å; S404-H407 WeakPolarHBondContact O-CB 2.9Å; S404-H407 PolarHBondContact O-N 3.13Å
405	A	84.7	Confident	91.3	Very high	4 Å²	4	70 Å²	70	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-54.2	-35.2	175.6	0	0	0	0	0	112.9	V182 Y398 H403 H407 M408 R409	V182-A405 HydrophobicContact CB-CB 4.41Å; V182-A405 HydrophobicContact CG1-CB 4.06Å; V182-A405 HydrophobicContact CG2-CB 4.47Å; Y398-A405 HydrophobicContact CD2-CB 4.15Å; Y398-A405 HydrophobicContact CE2-CB 3.88Å; H403-A405 PolarHBondContact O-N 3.13Å; A405-H407 PolarHBondContact O-N 3.02Å; A405-M408 PolarHBondContact O-N 3.44Å; A405-R409 WeakPolarHBondContact O-CG 3.3Å; A405-R409 PolarHBondContact O-N 2.99Å
406	S	86.6	Confident	91.1	Very high	66 Å²	66	74.1 Å²	74.1	46%	0.462	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-29.8	179.4	66	0	0	0	0	112.9	H403 S404	H403-S406 WeakPolarHBondContact O-CB 3.44Å; H403-S406 PolarHBondContact O-N 3.38Å; H403-S406 PolarHBondContact O-OG 2.89Å; S404-S406 PolarHBondContact O-N 2.83Å
407	H	88.9	Confident	90.7	Very high	168 Å²	168	76 Å²	76	78%	0.778	38%	0.384	S	S	*	.	H	α-helix	trans	-78.5	-19.9	176.1	-65.5	-81.6	0	0	0	113.3	S404 A405	S404-H407 WeakPolarHBondContact O-CB 2.9Å; S404-H407 PolarHBondContact O-N 3.13Å; A405-H407 PolarHBondContact O-N 3.02Å
408	M	89.6	Confident	90.5	Very high	32 Å²	32	78.8 Å²	78.8	16%	0.158	40%	0.396	C	S	.	.	H	α-helix	trans	-100.3	-8.9	179	-54.6	-173.9	-151.4	0	0	113	Y183 M200 N201 W394 F397 A405 L410	Y183-M408 HydrophobicContact CE1-SD 3.89Å; M200-M408 HydrophobicContact CB-CB 4.26Å; M200-M408 HydrophobicContact CB-CG 4.41Å; M200-M408 HydrophobicContact CB-SD 4.28Å; N201-M408 HydrophobicContact CB-CB 3.99Å; N201-M408 PolarHBondContact ND2-O 2.72Å; W394-M408 HydrophobicContact CZ3-CE 3.98Å; W394-M408 HydrophobicContact CZ3-SD 4.23Å; F397-M408 HydrophobicContact CD1-CE 3.79Å; F397-M408 HydrophobicContact CE1-CE 3.28Å; F397-M408 HydrophobicContact CZ-CE 4.17Å; A405-M408 PolarHBondContact O-N 3.44Å; M408-L410 PolarHBondContact O-N 2.87Å
409	R	90	Very high	90.5	Very high	87 Å²	87	79.2 Å²	79.2	33%	0.328	40%	0.404	S	S	.	.	S	Bend	trans	-68.8	126.1	177.1	-81.6	178.6	-173.7	-170.2	3.9	110.5	N180 A405 I413	N180-R409 PolarHBondContact O-NH2 3.49Å; N180-R409 PolarHBondContact OD1-NH1 3.09Å; N180-R409 VanDerWaalsContact OD1-NH1 3.13Å; A405-R409 WeakPolarHBondContact O-CG 3.3Å; A405-R409 PolarHBondContact O-N 2.99Å; R409-I413 HydrophobicContact CB-CD1 4.46Å; R409-I413 HydrophobicContact CG-CD1 4.47Å
410	L	92.7	Very high	90.5	Very high	62 Å²	62	79.9 Å²	79.9	33%	0.325	40%	0.403	S	S	.	.			trans	-63.8	136.6	170	-68.4	-166.9	0	0	0	110.5	A112 V113 T199 M408 G412 I413	A112-L410 HydrophobicContact CB-CB 4.09Å; A112-L410 HydrophobicContact CB-CD1 4.28Å; A112-L410 WeakPolarHBondContact O-CD1 3.32Å; V113-L410 HydrophobicContact CG2-CD1 4.38Å; T199-L410 HydrophobicContact CG2-CD1 3.5Å; T199-L410 VanDerWaalsContact CG2-CD1 3.5Å; T199-L410 HydrophobicContact CG2-CD2 4.14Å; T199-L410 HydrophobicContact CG2-CG 3.94Å; M408-L410 PolarHBondContact O-N 2.87Å; L410-G412 PolarHBondContact O-N 3Å; L410-I413 HydrophobicContact CB-CD1 4.45Å; L410-I413 HydrophobicContact CB-CG1 4.35Å; L410-I413 WeakPolarHBondContact O-CB 3.32Å; L410-I413 WeakPolarHBondContact O-CG1 3.49Å; L410-I413 PolarHBondContact O-N 3.36Å
411	K	90.8	Very high	90.3	Very high	172 Å²	172	76.1 Å²	76.1	75%	0.748	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.8	178.9	-65.8	-61.2	-174	-177.9	0	113.3	I413 T414	K411-I413 PolarHBondContact O-N 2.93Å; K411-I413 VanDerWaalsContact O-N 3.15Å; K411-T414 PolarHBondContact O-N 2.88Å; K411-T414 PolarHBondContact O-OG1 3.5Å; K411-T414 VanDerWaalsContact O-OG1 3.09Å
412	G	92.7	Very high	90.4	Very high	12 Å²	12	74.5 Å²	74.5	12%	0.124	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-62.3	-19	176.6	0	0	0	0	0	114.3	L410 T414 M415	L410-G412 PolarHBondContact O-N 3Å; G412-T414 PolarHBondContact O-N 2.76Å; G412-M415 WeakPolarHBondContact O-CB 3.47Å; G412-M415 PolarHBondContact O-N 2.72Å; G412-M415 VanDerWaalsContact O-N 3.09Å
413	I	91.6	Very high	90.7	Very high	29 Å²	29	76.2 Å²	76.2	15%	0.149	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.4	-32.9	-179.4	-64.5	176.6	0	0	0	111.1	R111 A112 T179 R409 L410 K411 M415	R111-I413 VanDerWaalsContact C-CG1 3.48Å; A112-I413 HydrophobicContact CB-CG1 3.75Å; T179-I413 HydrophobicContact CG2-CG2 3.97Å; R409-I413 HydrophobicContact CB-CD1 4.46Å; R409-I413 HydrophobicContact CG-CD1 4.47Å; L410-I413 HydrophobicContact CB-CD1 4.45Å; L410-I413 HydrophobicContact CB-CG1 4.35Å; L410-I413 WeakPolarHBondContact O-CB 3.32Å; L410-I413 WeakPolarHBondContact O-CG1 3.49Å; L410-I413 PolarHBondContact O-N 3.36Å; K411-I413 PolarHBondContact O-N 2.93Å; K411-I413 VanDerWaalsContact O-N 3.15Å; I413-M415 VanDerWaalsContact C-N 3.33Å
414	T	89.2	Confident	91.2	Very high	126 Å²	126	71.4 Å²	71.4	77%	0.773	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-90.9	4.5	-179.8	60.9	0	0	0	0	113	K411 G412	K411-T414 PolarHBondContact O-N 2.88Å; K411-T414 PolarHBondContact O-OG1 3.5Å; K411-T414 VanDerWaalsContact O-OG1 3.09Å; G412-T414 PolarHBondContact O-N 2.76Å
415	M	92.1	Very high	91.5	Very high	89 Å²	89	75.7 Å²	75.7	44%	0.438	39%	0.387	S	S	.	.	S	Bend	trans	-98.6	151.9	-178.6	-62.9	179.4	73.8	0	0	111	G412 I413 Y420	G412-M415 WeakPolarHBondContact O-CB 3.47Å; G412-M415 PolarHBondContact O-N 2.72Å; G412-M415 VanDerWaalsContact O-N 3.09Å; I413-M415 VanDerWaalsContact C-N 3.33Å; M415-Y420 HydrophobicContact SD-CD2 4.33Å
416	T	90.5	Very high	92.1	Very high	88 Å²	88	80.2 Å²	80.2	54%	0.54	41%	0.41	S	S	.	.			trans	-67.2	152.8	166.8	70	0	0	0	0	109.6	F418 S419 Y420	T416-F418 PolarHBondContact O-N 3.47Å; T416-S419 PolarHBondContact O-N 3.26Å; T416-S419 PolarHBondContact OG1-N 3.49Å; T416-S419 PolarHBondContact OG1-OG 3.27Å; T416-Y420 VanDerWaalsContact O-CB 3.25Å; T416-Y420 WeakPolarHBondContact O-CB 3.37Å; T416-Y420 PolarHBondContact O-N 3.43Å
417	T	87.6	Confident	92.6	Very high	57 Å²	57	79.2 Å²	79.2	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-32.5	175.2	-57.7	0	0	0	0	111.9	R109 H421	R109-T417 PolarHBondContact NH2-OG1 2.63Å; T417-H421 PolarHBondContact O-CD2 3.14Å; T417-H421 PolarHBondContact O-N 3.18Å
418	F	91.7	Very high	93	Very high	112 Å²	112	75.9 Å²	75.9	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-48.4	179.4	-166.7	-110	0	0	0	112.3	T416 S422 Y423 D424	T416-F418 PolarHBondContact O-N 3.47Å; F418-S422 PolarHBondContact O-N 3.48Å; F418-Y423 VanDerWaalsContact CD2-CB 3.49Å; F418-Y423 HydrophobicContact CD2-CD2 4.16Å; F418-Y423 HydrophobicContact CD2-CG 4.32Å; F418-Y423 VanDerWaalsContact CE2-CB 3.4Å; F418-Y423 HydrophobicContact CE2-CG 4.47Å; F418-Y423 PolarHBondContact O-N 2.98Å; F418-D424 HydrophobicContact CD1-CB 3.74Å; F418-D424 HydrophobicContact CE1-CB 3.49Å; F418-D424 VanDerWaalsContact CE1-CB 3.49Å; F418-D424 VanDerWaalsContact CE1-N 3.33Å; F418-D424 HydrophobicContact CZ-CB 4.46Å
419	S	94.3	Very high	93.3	Very high	37 Å²	37	78 Å²	78	26%	0.259	41%	0.407	S	S	.	.	H	α-helix	trans	-76.2	-34.6	178.4	-59.8	0	0	0	0	113.2	T416 H421 S422 D424	T416-S419 PolarHBondContact O-N 3.26Å; T416-S419 PolarHBondContact OG1-N 3.49Å; T416-S419 PolarHBondContact OG1-OG 3.27Å; S419-H421 VanDerWaalsContact C-N 3.27Å; S419-H421 PolarHBondContact O-N 2.89Å; S419-S422 PolarHBondContact O-N 2.97Å; S419-D424 VanDerWaalsContact CA-OD2 3.28Å; S419-D424 WeakPolarHBondContact CA-OD2 2.95Å; S419-D424 WeakPolarHBondContact CB-OD2 3.15Å; S419-D424 PolarHBondContact OG-OD2 2.97Å
420	Y	94	Very high	93.7	Very high	69 Å²	69	76.7 Å²	76.7	27%	0.271	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-35.9	178.3	177.7	-107.8	0	0	0	112.7	A112 N114 M415 T416	A112-Y420 HydrophobicContact CB-CE2 3.95Å; A112-Y420 PolarHBondContact O-OH 2.99Å; N114-Y420 HydrophobicContact CB-CE1 4.02Å; N114-Y420 WeakPolarHBondContact CB-OH 3.36Å; M415-Y420 HydrophobicContact SD-CD2 4.33Å; T416-Y420 VanDerWaalsContact O-CB 3.25Å; T416-Y420 WeakPolarHBondContact O-CB 3.37Å; T416-Y420 PolarHBondContact O-N 3.43Å
421	H	92.2	Very high	93.9	Very high	58 Å²	58	78.3 Å²	78.3	27%	0.269	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.7	174.3	-65.4	-61.9	0	0	0	113.8	N114 T417 S419 Y423	N114-H421 PolarHBondContact OD1-CE1 3.04Å; T417-H421 PolarHBondContact O-CD2 3.14Å; T417-H421 PolarHBondContact O-N 3.18Å; S419-H421 VanDerWaalsContact C-N 3.27Å; S419-H421 PolarHBondContact O-N 2.89Å; H421-Y423 HydrophobicContact CB-CD1 4.3Å; H421-Y423 HydrophobicContact CB-CD2 3.75Å; H421-Y423 HydrophobicContact CB-CE1 4.02Å; H421-Y423 HydrophobicContact CB-CE2 3.43Å; H421-Y423 VanDerWaalsContact CB-CE2 3.43Å; H421-Y423 HydrophobicContact CB-CG 4.16Å; H421-Y423 AromaticContact CD2-CE2 3.96Å; H421-Y423 AromaticContact CG-CE2 3.95Å; H421-Y423 PolarHBondContact O-N 3.24Å; H421-Y423 VanDerWaalsContact O-N 3.16Å
422	S	94.9	Very high	94.2	Very high	57 Å²	57	75.5 Å²	75.5	40%	0.399	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	28.9	-179.9	-53.5	0	0	0	0	114.1	F418 S419 D424 L425 L426	F418-S422 PolarHBondContact O-N 3.48Å; S419-S422 PolarHBondContact O-N 2.97Å; S422-D424 WeakPolarHBondContact CA-OD1 3.21Å; S422-D424 PolarHBondContact O-N 2.8Å; S422-L425 PolarHBondContact O-N 3.07Å; S422-L426 PolarHBondContact O-N 3.37Å
423	Y	95.3	Very high	94.4	Very high	116 Å²	116	80.3 Å²	80.3	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-68.8	-26.9	176.5	-64.1	-42.6	0	0	0	111.7	F418 H421 A427	F418-Y423 VanDerWaalsContact CD2-CB 3.49Å; F418-Y423 HydrophobicContact CD2-CD2 4.16Å; F418-Y423 HydrophobicContact CD2-CG 4.32Å; F418-Y423 VanDerWaalsContact CE2-CB 3.4Å; F418-Y423 HydrophobicContact CE2-CG 4.47Å; F418-Y423 PolarHBondContact O-N 2.98Å; H421-Y423 HydrophobicContact CB-CD1 4.3Å; H421-Y423 HydrophobicContact CB-CD2 3.75Å; H421-Y423 HydrophobicContact CB-CE1 4.02Å; H421-Y423 HydrophobicContact CB-CE2 3.43Å; H421-Y423 VanDerWaalsContact CB-CE2 3.43Å; H421-Y423 HydrophobicContact CB-CG 4.16Å; H421-Y423 AromaticContact CD2-CE2 3.96Å; H421-Y423 AromaticContact CG-CE2 3.95Å; H421-Y423 PolarHBondContact O-N 3.24Å; H421-Y423 VanDerWaalsContact O-N 3.16Å; Y423-A427 VanDerWaalsContact O-CB 3.31Å; Y423-A427 WeakPolarHBondContact O-CB 3.34Å; Y423-A427 PolarHBondContact O-N 2.94Å
424	D	95.7	Very high	94.6	Very high	45 Å²	45	84.2 Å²	84.2	24%	0.241	46%	0.459	C	S	.	.	H	α-helix	trans	-60.6	-48.1	168.4	44.7	8.6	0	0	0	111.9	F418 S419 S422 A427 I428	F418-D424 HydrophobicContact CD1-CB 3.74Å; F418-D424 HydrophobicContact CE1-CB 3.49Å; F418-D424 VanDerWaalsContact CE1-CB 3.49Å; F418-D424 VanDerWaalsContact CE1-N 3.33Å; F418-D424 HydrophobicContact CZ-CB 4.46Å; S419-D424 VanDerWaalsContact CA-OD2 3.28Å; S419-D424 WeakPolarHBondContact CA-OD2 2.95Å; S419-D424 WeakPolarHBondContact CB-OD2 3.15Å; S419-D424 PolarHBondContact OG-OD2 2.97Å; S422-D424 WeakPolarHBondContact CA-OD1 3.21Å; S422-D424 PolarHBondContact O-N 2.8Å; D424-A427 PolarHBondContact O-N 2.9Å; D424-I428 WeakPolarHBondContact O-CG1 3.5Å; D424-I428 PolarHBondContact O-N 3.04Å; D424-I428 VanDerWaalsContact O-N 3.12Å
425	L	96.9	Very high	94.9	Very high	103 Å²	103	81.1 Å²	81.1	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-41.9	176.6	-56.9	-179.9	0	0	0	111.6	S422 A427 I428 V429	S422-L425 PolarHBondContact O-N 3.07Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.32Å; L425-I428 PolarHBondContact O-N 2.91Å; L425-V429 WeakPolarHBondContact O-CG2 3.33Å; L425-V429 PolarHBondContact O-N 3.24Å
426	L	96.7	Very high	95.1	Very high	99 Å²	99	83.7 Å²	83.7	52%	0.518	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176.5	-176.9	62.1	0	0	0	111.5	S422 I428 V429 C430	S422-L426 PolarHBondContact O-N 3.37Å; L426-I428 VanDerWaalsContact C-N 3.33Å; L426-I428 PolarHBondContact O-N 3.05Å; L426-V429 PolarHBondContact O-N 2.77Å; L426-C430 PolarHBondContact O-N 2.74Å; L426-C430 PolarHBondContact O-SG 3.32Å
427	A	96.4	Very high	95.3	Very high	46 Å²	46	84.2 Å²	84.2	38%	0.38	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-43.1	175.7	0	0	0	0	0	111.6	Y423 D424 L425 C430 V431	Y423-A427 VanDerWaalsContact O-CB 3.31Å; Y423-A427 WeakPolarHBondContact O-CB 3.34Å; Y423-A427 PolarHBondContact O-N 2.94Å; D424-A427 PolarHBondContact O-N 2.9Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.32Å; A427-C430 PolarHBondContact O-N 3.39Å; A427-V431 VanDerWaalsContact O-CG2 3.3Å; A427-V431 WeakPolarHBondContact O-CG2 3.31Å; A427-V431 PolarHBondContact O-N 3.13Å
428	I	97.3	Very high	95.6	Very high	98 Å²	98	84.9 Å²	84.9	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-61	-46.5	175.8	-67.6	166.7	0	0	0	110.9	D424 L425 L426 C430 V431 L432	D424-I428 WeakPolarHBondContact O-CG1 3.5Å; D424-I428 PolarHBondContact O-N 3.04Å; D424-I428 VanDerWaalsContact O-N 3.12Å; L425-I428 PolarHBondContact O-N 2.91Å; L426-I428 VanDerWaalsContact C-N 3.33Å; L426-I428 PolarHBondContact O-N 3.05Å; I428-C430 PolarHBondContact O-N 2.95Å; I428-V431 PolarHBondContact O-N 3.47Å; I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 HydrophobicContact CG2-CG 4.41Å; I428-L432 WeakPolarHBondContact O-CG 3.16Å; I428-L432 PolarHBondContact O-N 2.98Å
429	V	97.3	Very high	95.7	Very high	75 Å²	75	81.9 Å²	81.9	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-61.1	-44.5	178.2	172.7	0	0	0	0	111.2	L425 L426 V431 L432 L433	L425-V429 WeakPolarHBondContact O-CG2 3.33Å; L425-V429 PolarHBondContact O-N 3.24Å; L426-V429 PolarHBondContact O-N 2.77Å; V429-V431 VanDerWaalsContact C-N 3.34Å; V429-V431 PolarHBondContact O-N 3.21Å; V429-L432 PolarHBondContact O-N 3.41Å; V429-L433 HydrophobicContact CG1-CD1 3.98Å; V429-L433 HydrophobicContact CG1-CG 4.39Å; V429-L433 WeakPolarHBondContact O-CG 3.47Å; V429-L433 PolarHBondContact O-N 3Å
430	C	97.4	Very high	95.5	Very high	60 Å²	60	85 Å²	85	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-42.6	176.6	-71.2	0	0	0	0	112.2	L426 A427 I428 L433 L434	L426-C430 PolarHBondContact O-N 2.74Å; L426-C430 PolarHBondContact O-SG 3.32Å; A427-C430 PolarHBondContact O-N 3.39Å; I428-C430 PolarHBondContact O-N 2.95Å; C430-L433 PolarHBondContact O-N 3.31Å; C430-L434 WeakPolarHBondContact O-CB 3.44Å; C430-L434 VanDerWaalsContact O-CG 3.3Å; C430-L434 WeakPolarHBondContact O-CG 3.45Å; C430-L434 PolarHBondContact O-N 2.96Å
431	V	97.2	Very high	94.7	Very high	96 Å²	96	90.1 Å²	90.1	58%	0.582	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-43.4	176.9	170.7	0	0	0	0	111.2	A427 I428 V429 L434 A435	A427-V431 VanDerWaalsContact O-CG2 3.3Å; A427-V431 WeakPolarHBondContact O-CG2 3.31Å; A427-V431 PolarHBondContact O-N 3.13Å; I428-V431 PolarHBondContact O-N 3.47Å; V429-V431 VanDerWaalsContact C-N 3.34Å; V429-V431 PolarHBondContact O-N 3.21Å; V431-L434 PolarHBondContact O-N 3.15Å; V431-A435 WeakPolarHBondContact O-CB 3.05Å; V431-A435 PolarHBondContact O-N 3.42Å
432	L	97.2	Very high	93.8	Very high	114 Å²	114	99.7 Å²	99.7	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-41.4	177.5	-70.1	174.2	0	0	0	112.3	I428 V429 A435 F436	I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 HydrophobicContact CG2-CG 4.41Å; I428-L432 WeakPolarHBondContact O-CG 3.16Å; I428-L432 PolarHBondContact O-N 2.98Å; V429-L432 PolarHBondContact O-N 3.41Å; L432-A435 PolarHBondContact O-N 3.39Å; L432-F436 WeakPolarHBondContact O-CB 3.4Å; L432-F436 PolarHBondContact O-N 3.38Å
433	L	96.9	Very high	93.8	Very high	112 Å²	112	101.8 Å²	101.8	59%	0.586	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-40.9	176.3	-71.6	173.6	0	0	0	112.1	V429 C430 F436 H437	V429-L433 HydrophobicContact CG1-CD1 3.98Å; V429-L433 HydrophobicContact CG1-CG 4.39Å; V429-L433 WeakPolarHBondContact O-CG 3.47Å; V429-L433 PolarHBondContact O-N 3Å; C430-L433 PolarHBondContact O-N 3.31Å; L433-F436 PolarHBondContact O-N 2.93Å; L433-H437 WeakPolarHBondContact O-CB 3.46Å; L433-H437 PolarHBondContact O-N 3.12Å
434	L	96.5	Very high	93.7	Very high	111 Å²	111	101.1 Å²	101.1	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-43.4	174.7	-75.2	167.2	0	0	0	111.6	C430 V431 H437 C438	C430-L434 WeakPolarHBondContact O-CB 3.44Å; C430-L434 VanDerWaalsContact O-CG 3.3Å; C430-L434 WeakPolarHBondContact O-CG 3.45Å; C430-L434 PolarHBondContact O-N 2.96Å; V431-L434 PolarHBondContact O-N 3.15Å; L434-H437 PolarHBondContact O-N 3.48Å; L434-C438 WeakPolarHBondContact O-CB 3.41Å; L434-C438 PolarHBondContact O-N 3.04Å; L434-C438 PolarHBondContact O-SG 3.32Å; L434-C438 VanDerWaalsContact O-SG 3.33Å
435	A	95.8	Very high	93.6	Very high	62 Å²	62	104.2 Å²	104.2	51%	0.512	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-43.3	176.7	0	0	0	0	0	111.9	V431 L432 C438 G439	V431-A435 WeakPolarHBondContact O-CB 3.05Å; V431-A435 PolarHBondContact O-N 3.42Å; L432-A435 PolarHBondContact O-N 3.39Å; A435-C438 PolarHBondContact O-N 2.71Å; A435-G439 PolarHBondContact O-N 2.75Å
436	F	96	Very high	93.4	Very high	142 Å²	142	104.2 Å²	104.2	62%	0.623	55%	0.554	S	S	*	*	H	α-helix	trans	-62.5	-43.7	175	-179.3	-104.4	0	0	0	111.9	L432 L433 G439 I440	L432-F436 WeakPolarHBondContact O-CB 3.4Å; L432-F436 PolarHBondContact O-N 3.38Å; L433-F436 PolarHBondContact O-N 2.93Å; F436-G439 PolarHBondContact O-N 3.33Å; F436-I440 HydrophobicContact CD1-CD1 3.84Å; F436-I440 HydrophobicContact CE1-CD1 3.32Å; F436-I440 HydrophobicContact CE1-CG1 4.42Å; F436-I440 HydrophobicContact CE2-CD1 4.26Å; F436-I440 HydrophobicContact CZ-CD1 3.57Å; F436-I440 HydrophobicContact CZ-CG1 4.39Å; F436-I440 WeakPolarHBondContact O-CG1 3.28Å; F436-I440 PolarHBondContact O-N 3.32Å; F436-I440 VanDerWaalsContact O-N 3.13Å
437	H	94.2	Very high	93.2	Very high	100 Å²	100	104.6 Å²	104.6	46%	0.463	56%	0.557	S	S	.	*	H	α-helix	trans	-61.2	-50.7	175.5	-175.4	70.8	0	0	0	111.2	L433 L434 G439 I440 Y441	L433-H437 WeakPolarHBondContact O-CB 3.46Å; L433-H437 PolarHBondContact O-N 3.12Å; L434-H437 PolarHBondContact O-N 3.48Å; H437-G439 VanDerWaalsContact C-N 3.27Å; H437-G439 PolarHBondContact O-N 3.26Å; H437-I440 PolarHBondContact O-N 3.33Å; H437-I440 VanDerWaalsContact O-N 3.11Å; H437-Y441 AromaticContact CE1-CD2 3.88Å; H437-Y441 AromaticContact CE1-CE2 3.14Å; H437-Y441 WeakPolarHBondContact CE1-CE2 3.44Å; H437-Y441 AromaticContact CE1-CZ 3.82Å; H437-Y441 AromaticContact ND1-CE2 3.59Å; H437-Y441 AromaticContact NE2-CE2 3.68Å; H437-Y441 VanDerWaalsContact O-CD2 3.3Å; H437-Y441 WeakPolarHBondContact O-CD2 3.17Å; H437-Y441 PolarHBondContact O-N 2.91Å
438	C	94.4	Very high	93	Very high	70 Å²	70	108.5 Å²	108.5	47%	0.473	57%	0.568	S	S	.	*	H	α-helix	trans	-58.9	-39.1	176.5	-69.3	0	0	0	0	112.3	L434 A435 I440 Y441 Y442	L434-C438 WeakPolarHBondContact O-CB 3.41Å; L434-C438 PolarHBondContact O-N 3.04Å; L434-C438 PolarHBondContact O-SG 3.32Å; L434-C438 VanDerWaalsContact O-SG 3.33Å; A435-C438 PolarHBondContact O-N 2.71Å; C438-I440 VanDerWaalsContact C-N 3.28Å; C438-I440 PolarHBondContact O-N 2.85Å; C438-Y441 PolarHBondContact O-N 3.2Å; C438-Y442 WeakPolarHBondContact O-CD2 3.38Å; C438-Y442 PolarHBondContact O-N 3.19Å
439	G	93.2	Very high	92.7	Very high	50 Å²	50	109.2 Å²	109.2	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-70.8	-14.7	178	0	0	0	0	0	115.3	A435 F436 H437	A435-G439 PolarHBondContact O-N 2.75Å; F436-G439 PolarHBondContact O-N 3.33Å; H437-G439 VanDerWaalsContact C-N 3.27Å; H437-G439 PolarHBondContact O-N 3.26Å
440	I	89.8	Confident	92.3	Very high	103 Å²	103	111.8 Å²	111.8	53%	0.528	58%	0.582	S	S	.	*	H	α-helix	trans	-83.2	-29.3	170.9	-73.6	170.7	0	0	0	111.5	F436 H437 C438	F436-I440 HydrophobicContact CD1-CD1 3.84Å; F436-I440 HydrophobicContact CE1-CD1 3.32Å; F436-I440 HydrophobicContact CE1-CG1 4.42Å; F436-I440 HydrophobicContact CE2-CD1 4.26Å; F436-I440 HydrophobicContact CZ-CD1 3.57Å; F436-I440 HydrophobicContact CZ-CG1 4.39Å; F436-I440 WeakPolarHBondContact O-CG1 3.28Å; F436-I440 PolarHBondContact O-N 3.32Å; F436-I440 VanDerWaalsContact O-N 3.13Å; H437-I440 PolarHBondContact O-N 3.33Å; H437-I440 VanDerWaalsContact O-N 3.11Å; C438-I440 VanDerWaalsContact C-N 3.28Å; C438-I440 PolarHBondContact O-N 2.85Å
441	Y	78.3	Confident	91.9	Very high	176 Å²	176	116.2 Å²	116.2	69%	0.69	60%	0.597	S	S	*	*	H	α-helix	trans	-91.2	-14.6	-176.5	-79.8	-97.4	0	0	0	113.7	H437 C438	H437-Y441 AromaticContact CE1-CD2 3.88Å; H437-Y441 AromaticContact CE1-CE2 3.14Å; H437-Y441 WeakPolarHBondContact CE1-CE2 3.44Å; H437-Y441 AromaticContact CE1-CZ 3.82Å; H437-Y441 AromaticContact ND1-CE2 3.59Å; H437-Y441 AromaticContact NE2-CE2 3.68Å; H437-Y441 VanDerWaalsContact O-CD2 3.3Å; H437-Y441 WeakPolarHBondContact O-CD2 3.17Å; H437-Y441 PolarHBondContact O-N 2.91Å; C438-Y441 PolarHBondContact O-N 3.2Å
442	Y	73.4	Confident	91.4	Very high	258 Å²	258	118 Å²	118	100%	1.012	60%	0.598	S	S	*	*			trans	-93	0	164.5	-86.4	-84.6	0	0	0	109.8	C438	C438-Y442 WeakPolarHBondContact O-CD2 3.38Å; C438-Y442 PolarHBondContact O-N 3.19Å

Retrieved 442 of 442 residues in 191.7 ms (Link to these results)

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