A0A087XFX2_POEFO Loading...

GDNF family receptor alpha 4b

AlphaFold DB , UniProt , Accession A0A087XFX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	71.6	Confident	189 Å²	189	105.3 Å²	105.3	93%	0.931	52%	0.518	S	S	*	.				0	123	0	-80.4	169	72.6	0	0	106.5	V6	M1-V6 HydrophobicContact CB-CG2 4.27Å; M1-V6 HydrophobicContact CE-CG2 4.22Å
2	D	73.3	Confident	72	Confident	134 Å²	134	105.9 Å²	105.9	72%	0.717	52%	0.524	S	S	*	.			trans	-63.3	142.5	179	-56.6	-37.9	0	0	0	109.7	W4 G5 V6	D2-W4 PolarHBondContact O-N 3.21Å; D2-G5 WeakPolarHBondContact O-CA 3.21Å; D2-G5 PolarHBondContact O-N 2.98Å; D2-V6 PolarHBondContact O-N 3.13Å
3	Q	65.6	Low	72.1	Confident	135 Å²	135	98.8 Å²	98.8	63%	0.631	49%	0.491	S	S	*	.	H	α-helix	trans	-53.8	-33.2	-176.8	-166.2	159.1	3.2	0	0	112.1	G5 V6 Y7	Q3-G5 PolarHBondContact O-N 2.85Å; Q3-V6 PolarHBondContact O-N 3.01Å; Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE2 4.26Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.47Å; Q3-Y7 PolarHBondContact O-N 3Å; Q3-Y7 VanDerWaalsContact O-N 3.13Å
4	W	68.3	Low	71.8	Confident	229 Å²	229	97.6 Å²	97.6	87%	0.867	48%	0.481	S	S	*	.	H	α-helix	trans	-62.5	-36.7	172.3	-78	88.7	0	0	0	114.4	D2 V6 Y7 L8	D2-W4 PolarHBondContact O-N 3.21Å; W4-V6 VanDerWaalsContact C-N 3.35Å; W4-Y7 PolarHBondContact O-N 3.44Å; W4-L8 WeakPolarHBondContact O-CB 3.45Å; W4-L8 PolarHBondContact O-N 2.69Å
5	G	75.3	Confident	71.2	Confident	36 Å²	36	94.5 Å²	94.5	37%	0.371	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-33.4	177	0	0	0	0	0	112.7	D2 Q3 S9	D2-G5 WeakPolarHBondContact O-CA 3.21Å; D2-G5 PolarHBondContact O-N 2.98Å; Q3-G5 PolarHBondContact O-N 2.85Å; G5-S9 WeakPolarHBondContact O-CB 3.43Å; G5-S9 PolarHBondContact O-N 3.49Å
6	V	76.2	Confident	70.6	Confident	12 Å²	12	94.2 Å²	94.2	7%	0.073	48%	0.476	C	S	.	.	H	α-helix	trans	-71.5	-42.9	175.6	-173.5	0	0	0	0	110.8	M1 D2 Q3 W4 S9 M10 L420 L424	M1-V6 HydrophobicContact CB-CG2 4.27Å; M1-V6 HydrophobicContact CE-CG2 4.22Å; D2-V6 PolarHBondContact O-N 3.13Å; Q3-V6 PolarHBondContact O-N 3.01Å; W4-V6 VanDerWaalsContact C-N 3.35Å; V6-S9 PolarHBondContact O-N 3.19Å; V6-M10 WeakPolarHBondContact O-CB 3.45Å; V6-M10 PolarHBondContact O-N 3Å; V6-L420 HydrophobicContact CG1-CD2 4Å; V6-L424 HydrophobicContact CB-CD2 4.25Å; V6-L424 HydrophobicContact CG1-CD1 3.85Å; V6-L424 HydrophobicContact CG1-CD2 3.76Å; V6-L424 HydrophobicContact CG1-CG 3.63Å
7	Y	73.1	Confident	69.8	Low	123 Å²	123	89.2 Å²	89.2	48%	0.482	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.2	-92.4	-81.9	0	0	0	112.9	Q3 W4 M10 L11 L424	Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE2 4.26Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.47Å; Q3-Y7 PolarHBondContact O-N 3Å; Q3-Y7 VanDerWaalsContact O-N 3.13Å; W4-Y7 PolarHBondContact O-N 3.44Å; Y7-M10 PolarHBondContact O-N 3.02Å; Y7-L11 WeakPolarHBondContact O-CG 3.42Å; Y7-L11 PolarHBondContact O-N 2.8Å; Y7-L424 HydrophobicContact CE2-CD2 4.4Å
8	L	78.4	Confident	68.8	Low	107 Å²	107	89.8 Å²	89.8	56%	0.56	46%	0.456	S	S	*	.	H	α-helix	trans	-64.8	-41.6	176.8	-175	65.2	0	0	0	111.6	W4 M10 L11 L12	W4-L8 WeakPolarHBondContact O-CB 3.45Å; W4-L8 PolarHBondContact O-N 2.69Å; L8-M10 VanDerWaalsContact C-N 3.32Å; L8-M10 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3.07Å; L8-L12 HydrophobicContact CG-CD1 4.31Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.07Å
9	S	73	Confident	68	Low	39 Å²	39	90.7 Å²	90.7	27%	0.273	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-40	174.4	-171.3	0	0	0	0	111.8	G5 V6 L12 T13	G5-S9 WeakPolarHBondContact O-CB 3.43Å; G5-S9 PolarHBondContact O-N 3.49Å; V6-S9 PolarHBondContact O-N 3.19Å; S9-L12 PolarHBondContact O-N 2.76Å; S9-T13 WeakPolarHBondContact O-CG2 3.24Å; S9-T13 PolarHBondContact O-N 2.7Å; S9-T13 PolarHBondContact O-OG1 2.97Å
10	M	74.1	Confident	67.2	Low	39 Å²	39	88.9 Å²	88.9	19%	0.192	46%	0.457	C	S	.	.	H	α-helix	trans	-64.1	-47	176.8	-173.7	172.5	166.6	0	0	110.8	V6 Y7 L8 L12 T13 F14 L417 L424	V6-M10 WeakPolarHBondContact O-CB 3.45Å; V6-M10 PolarHBondContact O-N 3Å; Y7-M10 PolarHBondContact O-N 3.02Å; L8-M10 VanDerWaalsContact C-N 3.32Å; L8-M10 PolarHBondContact O-N 3.05Å; M10-L12 VanDerWaalsContact C-N 3.34Å; M10-L12 PolarHBondContact O-N 3.24Å; M10-T13 VanDerWaalsContact CA-OG1 3.32Å; M10-T13 WeakPolarHBondContact CA-OG1 3.43Å; M10-T13 PolarHBondContact O-N 3.3Å; M10-T13 VanDerWaalsContact O-N 3.17Å; M10-T13 PolarHBondContact O-OG1 3.01Å; M10-F14 HydrophobicContact CE-CD2 4.46Å; M10-F14 HydrophobicContact CE-CE2 3.48Å; M10-F14 VanDerWaalsContact CE-CE2 3.48Å; M10-F14 HydrophobicContact CE-CZ 4.17Å; M10-F14 HydrophobicContact CG-CD2 3.71Å; M10-F14 HydrophobicContact CG-CE2 3.47Å; M10-F14 VanDerWaalsContact CG-CE2 3.47Å; M10-F14 WeakPolarHBondContact O-CD2 3.32Å; M10-F14 PolarHBondContact O-N 3.38Å; M10-F14 HydrophobicContact SD-CE2 4.29Å; M10-L417 HydrophobicContact CG-CD1 4.42Å; M10-L424 HydrophobicContact SD-CD1 3.8Å
11	L	77	Confident	66.2	Low	115 Å²	115	90.3 Å²	90.3	60%	0.602	47%	0.465	S	S	*	.	H	α-helix	trans	-59.4	-41.3	174.8	-74	169.8	0	0	0	112.7	Y7 L8 F14 A15	Y7-L11 WeakPolarHBondContact O-CG 3.42Å; Y7-L11 PolarHBondContact O-N 2.8Å; L8-L11 PolarHBondContact O-N 3.07Å; L11-F14 PolarHBondContact O-N 3.34Å; L11-A15 VanDerWaalsContact O-CB 3.3Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.5Å
12	L	76	Confident	66	Low	113 Å²	113	84.2 Å²	84.2	59%	0.592	44%	0.444	S	S	*	.	H	α-helix	trans	-66.2	-39.4	175.3	-73.6	167.7	0	0	0	111.9	L8 S9 M10 L16	L8-L12 HydrophobicContact CG-CD1 4.31Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.07Å; S9-L12 PolarHBondContact O-N 2.76Å; M10-L12 VanDerWaalsContact C-N 3.34Å; M10-L12 PolarHBondContact O-N 3.24Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 2.98Å
13	T	72.9	Confident	65.4	Low	14 Å²	14	78.8 Å²	78.8	9%	0.086	42%	0.42	C	S	.	.	H	α-helix	trans	-67.9	-38.6	174.5	51.3	0	0	0	0	112.4	S9 M10 L16 I17 I416 L420	S9-T13 WeakPolarHBondContact O-CG2 3.24Å; S9-T13 PolarHBondContact O-N 2.7Å; S9-T13 PolarHBondContact O-OG1 2.97Å; M10-T13 VanDerWaalsContact CA-OG1 3.32Å; M10-T13 WeakPolarHBondContact CA-OG1 3.43Å; M10-T13 PolarHBondContact O-N 3.3Å; M10-T13 VanDerWaalsContact O-N 3.17Å; M10-T13 PolarHBondContact O-OG1 3.01Å; T13-L16 PolarHBondContact O-N 3.49Å; T13-I17 WeakPolarHBondContact O-CB 3.34Å; T13-I17 WeakPolarHBondContact O-CD1 3.46Å; T13-I17 WeakPolarHBondContact O-CG1 3.33Å; T13-I17 PolarHBondContact O-N 3.13Å; T13-I416 HydrophobicContact CG2-CG2 3.91Å; T13-L420 HydrophobicContact CG2-CD1 4.25Å
14	F	68.7	Low	66	Low	82 Å²	82	75.6 Å²	75.6	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-65.2	-46.2	173.7	-84.1	-69.5	0	0	0	111.2	M10 L11 L16 I17 D18 L417	M10-F14 HydrophobicContact CE-CD2 4.46Å; M10-F14 HydrophobicContact CE-CE2 3.48Å; M10-F14 VanDerWaalsContact CE-CE2 3.48Å; M10-F14 HydrophobicContact CE-CZ 4.17Å; M10-F14 HydrophobicContact CG-CD2 3.71Å; M10-F14 HydrophobicContact CG-CE2 3.47Å; M10-F14 VanDerWaalsContact CG-CE2 3.47Å; M10-F14 WeakPolarHBondContact O-CD2 3.32Å; M10-F14 PolarHBondContact O-N 3.38Å; M10-F14 HydrophobicContact SD-CE2 4.29Å; L11-F14 PolarHBondContact O-N 3.34Å; F14-L16 VanDerWaalsContact C-N 3.28Å; F14-L16 PolarHBondContact O-N 3.36Å; F14-I17 CarbonylContact O-C 3.57Å; F14-I17 PolarHBondContact O-N 3.33Å; F14-I17 VanDerWaalsContact O-N 3.17Å; F14-D18 WeakPolarHBondContact O-CB 3.32Å; F14-D18 VanDerWaalsContact O-CG 3.31Å; F14-D18 PolarHBondContact O-N 2.87Å; F14-L417 HydrophobicContact CD2-CD1 4.37Å; F14-L417 HydrophobicContact CE1-CD2 4.4Å; F14-L417 HydrophobicContact CE2-CD1 3.73Å; F14-L417 HydrophobicContact CZ-CD1 3.85Å; F14-L417 HydrophobicContact CZ-CD2 4.25Å
15	A	62.4	Low	66.8	Low	50 Å²	50	66.4 Å²	66.4	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-38.3	174.7	0	0	0	0	0	112.1	L11 V19	L11-A15 VanDerWaalsContact O-CB 3.3Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.5Å; A15-V19 WeakPolarHBondContact O-CB 3.16Å; A15-V19 WeakPolarHBondContact O-CG2 3.49Å; A15-V19 PolarHBondContact O-N 2.96Å
16	L	61.9	Low	67.6	Low	90 Å²	90	64.7 Å²	64.7	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-68.5	-41.9	175.6	-167.1	74.8	0	0	0	111.4	L12 T13 F14 V19 L20	L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 2.98Å; T13-L16 PolarHBondContact O-N 3.49Å; F14-L16 VanDerWaalsContact C-N 3.28Å; F14-L16 PolarHBondContact O-N 3.36Å; L16-V19 PolarHBondContact O-N 3.47Å; L16-L20 HydrophobicContact CG-CD1 4.12Å; L16-L20 WeakPolarHBondContact O-CB 3.26Å; L16-L20 WeakPolarHBondContact O-CD1 3.41Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.11Å
17	I	56.3	Low	68.3	Low	10 Å²	10	65.6 Å²	65.6	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-42.8	175.3	-71.3	164.2	0	0	0	110.1	T13 F14 V19 L20 L21 A413 L417	T13-I17 WeakPolarHBondContact O-CB 3.34Å; T13-I17 WeakPolarHBondContact O-CD1 3.46Å; T13-I17 WeakPolarHBondContact O-CG1 3.33Å; T13-I17 PolarHBondContact O-N 3.13Å; F14-I17 CarbonylContact O-C 3.57Å; F14-I17 PolarHBondContact O-N 3.33Å; F14-I17 VanDerWaalsContact O-N 3.17Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 3.48Å; I17-L20 CarbonylContact O-C 3.15Å; I17-L20 WeakPolarHBondContact O-CB 3.43Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-L20 VanDerWaalsContact O-N 3.12Å; I17-L21 HydrophobicContact CG2-CD1 3.5Å; I17-L21 HydrophobicContact CG2-CG 4.01Å; I17-L21 VanDerWaalsContact O-CB 3.25Å; I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 2.93Å; I17-A413 HydrophobicContact CG1-CB 4.16Å; I17-L417 HydrophobicContact CD1-CD2 3.93Å
18	D	51.3	Low	69.2	Low	100 Å²	100	63.8 Å²	63.8	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-38.2	175.3	-74.4	-27.8	0	0	0	111.7	F14 L20 L21 A22	F14-D18 WeakPolarHBondContact O-CB 3.32Å; F14-D18 VanDerWaalsContact O-CG 3.31Å; F14-D18 PolarHBondContact O-N 2.87Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L21 PolarHBondContact O-N 3.26Å; D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.29Å
19	V	54.4	Low	69.8	Low	107 Å²	107	58.8 Å²	58.8	65%	0.648	34%	0.34	S	S	*	.	H	α-helix	trans	-69.4	-32.1	172.9	169.1	0	0	0	0	111.9	A15 L16 I17	A15-V19 WeakPolarHBondContact O-CB 3.16Å; A15-V19 WeakPolarHBondContact O-CG2 3.49Å; A15-V19 PolarHBondContact O-N 2.96Å; L16-V19 PolarHBondContact O-N 3.47Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 3.48Å
20	L	51.1	Low	70.6	Confident	54 Å²	54	57 Å²	57	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-77.6	-28.1	175.2	-71.2	165.5	0	0	0	112.6	L16 I17 D18 L406 L410	L16-L20 HydrophobicContact CG-CD1 4.12Å; L16-L20 WeakPolarHBondContact O-CB 3.26Å; L16-L20 WeakPolarHBondContact O-CD1 3.41Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.11Å; I17-L20 CarbonylContact O-C 3.15Å; I17-L20 WeakPolarHBondContact O-CB 3.43Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-L20 VanDerWaalsContact O-N 3.12Å; D18-L20 VanDerWaalsContact C-N 3.34Å; L20-L406 HydrophobicContact CD2-CD1 3.46Å; L20-L406 VanDerWaalsContact CD2-CD1 3.46Å; L20-L410 HydrophobicContact CB-CD1 4.37Å; L20-L410 HydrophobicContact CD1-CD1 4.3Å
21	L	46.5	Very low	71.4	Confident	119 Å²	119	60.4 Å²	60.4	62%	0.623	35%	0.347	S	S	*	.	H	α-helix	trans	-89.5	-27.9	178.4	-72.1	175.2	0	0	0	112.6	I17 D18 G23	I17-L21 HydrophobicContact CG2-CD1 3.5Å; I17-L21 HydrophobicContact CG2-CG 4.01Å; I17-L21 VanDerWaalsContact O-CB 3.25Å; I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 2.93Å; D18-L21 PolarHBondContact O-N 3.26Å; L21-G23 PolarHBondContact O-N 2.67Å
22	A	51.1	Low	72.1	Confident	61 Å²	61	58 Å²	58	50%	0.504	34%	0.34	S	S	.	.	S	Bend	trans	-64.5	103.8	168.1	0	0	0	0	0	107.6	D18 T24	D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.29Å; A22-T24 PolarHBondContact O-N 2.84Å
23	G	60.1	Low	72.8	Confident	20 Å²	20	52.7 Å²	52.7	21%	0.206	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-48.8	126.4	-180	0	0	0	0	0	110.8	L21 D25	L21-G23 PolarHBondContact O-N 2.67Å; G23-D25 PolarHBondContact O-N 2.9Å
24	T	76.9	Confident	73.6	Confident	67 Å²	67	54.4 Å²	54.4	41%	0.411	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-62.7	132.8	177.4	-47	0	0	0	0	109.4	A22 C26 V28 A29 C81 Q82	A22-T24 PolarHBondContact O-N 2.84Å; T24-C26 PolarHBondContact O-N 3.16Å; T24-V28 HydrophobicContact CG2-CB 4.02Å; T24-V28 HydrophobicContact CG2-CG1 3.93Å; T24-A29 HydrophobicContact CG2-CB 4.29Å; T24-C81 WeakPolarHBondContact O-CA 3.24Å; T24-C81 VanDerWaalsContact O-CB 3.24Å; T24-C81 WeakPolarHBondContact O-CB 3.46Å; T24-Q82 PolarHBondContact O-N 3.2Å
25	D	85.7	Confident	74.7	Confident	37 Å²	37	55.3 Å²	55.3	20%	0.198	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-52.4	131.2	173.7	-179.2	-31.3	0	0	0	109.9	G23 L27 V28 A29 Q82 M87 C93	G23-D25 PolarHBondContact O-N 2.9Å; D25-L27 PolarHBondContact O-N 3.13Å; D25-L27 VanDerWaalsContact O-N 3.09Å; D25-L27 VanDerWaalsContact OD1-CB 3.29Å; D25-L27 WeakPolarHBondContact OD1-CB 3.48Å; D25-L27 WeakPolarHBondContact OD1-CG 3.44Å; D25-L27 PolarHBondContact OD1-N 3.26Å; D25-V28 HydrophobicContact CB-CB 4.45Å; D25-V28 HydrophobicContact CB-CG2 4.14Å; D25-V28 PolarHBondContact O-N 2.94Å; D25-A29 PolarHBondContact O-N 3.23Å; D25-Q82 VanDerWaalsContact CA-O 3.32Å; D25-Q82 WeakPolarHBondContact CA-O 3.45Å; D25-M87 WeakPolarHBondContact OD2-CE 3.46Å; D25-C93 PolarHBondContact OD1-SG 3.33Å; D25-C93 VanDerWaalsContact OD1-SG 3.36Å
26	C	91.4	Very high	76.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-24.5	179.3	-65.4	0	0	0	0	114.3	T24 G30 C81 Q82 I96	T24-C26 PolarHBondContact O-N 3.16Å; C26-G30 WeakPolarHBondContact O-CA 3.37Å; C26-G30 PolarHBondContact O-N 3.14Å; C26-C81 WeakPolarHBondContact CA-SG 3.45Å; C26-C81 HydrophobicContact CB-CB 3.82Å; C26-C81 WeakPolarHBondContact CB-SG 3.07Å; C26-C81 WeakPolarHBondContact SG-CB 2.96Å; C26-C81 PolarHBondContact SG-O 3.03Å; C26-C81 VanDerWaalsContact SG-O 3.38Å; C26-C81 CovalentContact SG-SG 2.04Å; C26-C81 PolarHBondContact SG-SG 3Å; C26-Q82 PolarHBondContact N-O 3.18Å; C26-Q82 VanDerWaalsContact N-O 3.09Å; C26-I96 HydrophobicContact CB-CB 4.23Å; C26-I96 HydrophobicContact CB-CG2 4.1Å; C26-I96 WeakPolarHBondContact O-CD1 3.46Å
27	L	92	Very high	77.6	Confident	31 Å²	31	59.7 Å²	59.7	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-49.1	170.9	-63.9	174.6	0	0	0	111.1	D25 G30 D31 M87 K89 N92 C93 I96	D25-L27 PolarHBondContact O-N 3.13Å; D25-L27 VanDerWaalsContact O-N 3.09Å; D25-L27 VanDerWaalsContact OD1-CB 3.29Å; D25-L27 WeakPolarHBondContact OD1-CB 3.48Å; D25-L27 WeakPolarHBondContact OD1-CG 3.44Å; D25-L27 PolarHBondContact OD1-N 3.26Å; L27-G30 PolarHBondContact O-N 3.5Å; L27-D31 VanDerWaalsContact O-CG 3.31Å; L27-D31 PolarHBondContact O-N 3.15Å; L27-M87 HydrophobicContact CD1-CE 3.43Å; L27-M87 VanDerWaalsContact CD1-CE 3.43Å; L27-M87 HydrophobicContact CG-CE 4.24Å; L27-K89 HydrophobicContact CD1-CB 3.69Å; L27-K89 HydrophobicContact CD1-CD 4.37Å; L27-N92 HydrophobicContact CD2-CB 3.93Å; L27-C93 HydrophobicContact CD1-CB 4.34Å; L27-C93 HydrophobicContact CD2-CB 4.3Å; L27-C93 HydrophobicContact CG-CB 3.94Å; L27-I96 HydrophobicContact CD2-CD1 3.99Å
28	V	91.4	Very high	79.2	Confident	85 Å²	85	64.5 Å²	64.5	52%	0.515	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-44.2	-179.8	177.6	0	0	0	0	110.5	T24 D25 G30 D31 S32	T24-V28 HydrophobicContact CG2-CB 4.02Å; T24-V28 HydrophobicContact CG2-CG1 3.93Å; D25-V28 HydrophobicContact CB-CB 4.45Å; D25-V28 HydrophobicContact CB-CG2 4.14Å; D25-V28 PolarHBondContact O-N 2.94Å; V28-G30 VanDerWaalsContact C-N 3.28Å; V28-G30 PolarHBondContact O-N 3.35Å; V28-D31 PolarHBondContact O-N 3.02Å; V28-S32 WeakPolarHBondContact O-CB 3.42Å; V28-S32 PolarHBondContact O-N 3.37Å
29	A	90.6	Very high	81.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-37.3	174.8	0	0	0	0	0	111.8	T24 D25 C33 L78 C81	T24-A29 HydrophobicContact CG2-CB 4.29Å; D25-A29 PolarHBondContact O-N 3.23Å; A29-C33 WeakPolarHBondContact O-CB 3.4Å; A29-C33 PolarHBondContact O-N 2.82Å; A29-L78 HydrophobicContact CB-CD2 3.86Å; A29-L78 HydrophobicContact CB-CG 4.34Å; A29-C81 HydrophobicContact CB-CB 3.99Å
30	G	90.6	Very high	82.9	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-45.2	174.8	0	0	0	0	0	113.2	C26 L27 V28 C33 S34	C26-G30 WeakPolarHBondContact O-CA 3.37Å; C26-G30 PolarHBondContact O-N 3.14Å; L27-G30 PolarHBondContact O-N 3.5Å; V28-G30 VanDerWaalsContact C-N 3.28Å; V28-G30 PolarHBondContact O-N 3.35Å; G30-C33 PolarHBondContact O-N 3.48Å; G30-S34 WeakPolarHBondContact O-CB 3.49Å; G30-S34 PolarHBondContact O-N 2.88Å
31	D	91.2	Very high	84.9	Confident	110 Å²	110	55.1 Å²	55.1	59%	0.588	33%	0.333	S	S	*	.	H	α-helix	trans	-67.7	-40.3	178.8	-69.5	-19.8	0	0	0	111.3	L27 V28 S34 S35	L27-D31 VanDerWaalsContact O-CG 3.31Å; L27-D31 PolarHBondContact O-N 3.15Å; V28-D31 PolarHBondContact O-N 3.02Å; D31-S34 PolarHBondContact O-N 3.49Å; D31-S35 PolarHBondContact O-N 3.37Å; D31-S35 VanDerWaalsContact O-N 3.12Å; D31-S35 PolarHBondContact O-OG 3.17Å
32	S	90.9	Very high	87	Confident	65 Å²	65	55.3 Å²	55.3	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-49.8	173.2	177.7	0	0	0	0	111.6	V28 S34 S35 D36	V28-S32 WeakPolarHBondContact O-CB 3.42Å; V28-S32 PolarHBondContact O-N 3.37Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.29Å; S32-S35 PolarHBondContact O-N 3.41Å; S32-S35 VanDerWaalsContact O-N 3.15Å; S32-D36 PolarHBondContact O-N 3.41Å
33	C	90.6	Very high	88.7	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-35.3	175.9	176.4	0	0	0	0	112.5	A29 G30 S35 D36 C39 S40 L43 L78	A29-C33 WeakPolarHBondContact O-CB 3.4Å; A29-C33 PolarHBondContact O-N 2.82Å; G30-C33 PolarHBondContact O-N 3.48Å; C33-S35 PolarHBondContact O-N 2.91Å; C33-D36 PolarHBondContact O-N 2.83Å; C33-C39 HydrophobicContact CB-CB 3.98Å; C33-C39 WeakPolarHBondContact CB-SG 3.41Å; C33-C39 WeakPolarHBondContact SG-CB 3.02Å; C33-C39 CovalentContact SG-SG 2.03Å; C33-C39 PolarHBondContact SG-SG 2.96Å; C33-S40 WeakPolarHBondContact O-CA 3.38Å; C33-S40 WeakPolarHBondContact O-CB 3.14Å; C33-S40 PolarHBondContact O-N 3.03Å; C33-S40 VanDerWaalsContact O-N 3.09Å; C33-L43 HydrophobicContact CB-CD2 4.19Å; C33-L78 HydrophobicContact CB-CD1 3.74Å; C33-L78 HydrophobicContact CB-CG 4.28Å
34	S	91.4	Very high	90.1	Very high	49 Å²	49	58.6 Å²	58.6	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-27.2	177.7	-169.9	0	0	0	0	112.8	G30 D31 S32 S40	G30-S34 WeakPolarHBondContact O-CB 3.49Å; G30-S34 PolarHBondContact O-N 2.88Å; D31-S34 PolarHBondContact O-N 3.49Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.29Å; S34-S40 VanDerWaalsContact O-CB 3.29Å; S34-S40 WeakPolarHBondContact O-CB 3.42Å; S34-S40 PolarHBondContact O-OG 3.33Å
35	S	91.1	Very high	90.6	Very high	101 Å²	101	57.1 Å²	57.1	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-89.4	-14.3	179.8	-51.6	0	0	0	0	113	D31 S32 C33	D31-S35 PolarHBondContact O-N 3.37Å; D31-S35 VanDerWaalsContact O-N 3.12Å; D31-S35 PolarHBondContact O-OG 3.17Å; S32-S35 PolarHBondContact O-N 3.41Å; S32-S35 VanDerWaalsContact O-N 3.15Å; C33-S35 PolarHBondContact O-N 2.91Å
36	D	92	Very high	90.6	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-87.5	128.3	178.5	178.3	-90.4	0	0	0	111.6	S32 C33 T38 C39 S40	S32-D36 PolarHBondContact O-N 3.41Å; C33-D36 PolarHBondContact O-N 2.83Å; D36-T38 PolarHBondContact O-N 2.72Å; D36-T38 WeakPolarHBondContact OD1-CA 3.21Å; D36-T38 WeakPolarHBondContact OD1-CB 3.03Å; D36-T38 PolarHBondContact OD1-N 3.28Å; D36-T38 PolarHBondContact OD1-OG1 3.31Å; D36-C39 HydrophobicContact CB-CB 3.91Å; D36-C39 PolarHBondContact O-N 2.97Å; D36-C39 WeakPolarHBondContact OD1-CB 3.02Å; D36-C39 PolarHBondContact OD1-N 3.18Å; D36-S40 WeakPolarHBondContact O-CB 3.4Å; D36-S40 PolarHBondContact O-N 3.16Å
37	E	92.3	Very high	90.4	Very high	165 Å²	165	61.6 Å²	61.6	77%	0.771	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.5	-176.4	-71.7	-62.6	153.7	0	0	113.5	P41	E37-P41 WeakPolarHBondContact O-CD 3.09Å; E37-P41 WeakPolarHBondContact O-CG 3.45Å
38	T	89.8	Confident	90	Very high	110 Å²	110	65.7 Å²	65.7	68%	0.675	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-35.5	-179	72.7	0	0	0	0	112.4	D36	D36-T38 PolarHBondContact O-N 2.72Å; D36-T38 WeakPolarHBondContact OD1-CA 3.21Å; D36-T38 WeakPolarHBondContact OD1-CB 3.03Å; D36-T38 PolarHBondContact OD1-N 3.28Å; D36-T38 PolarHBondContact OD1-OG1 3.31Å
39	C	91.2	Very high	89.4	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-84.1	-40.6	-176.3	-161.9	0	0	0	0	111.9	C33 D36 R42 L43	C33-C39 HydrophobicContact CB-CB 3.98Å; C33-C39 WeakPolarHBondContact CB-SG 3.41Å; C33-C39 WeakPolarHBondContact SG-CB 3.02Å; C33-C39 CovalentContact SG-SG 2.03Å; C33-C39 PolarHBondContact SG-SG 2.96Å; D36-C39 HydrophobicContact CB-CB 3.91Å; D36-C39 PolarHBondContact O-N 2.97Å; D36-C39 WeakPolarHBondContact OD1-CB 3.02Å; D36-C39 PolarHBondContact OD1-N 3.18Å; C39-R42 WeakPolarHBondContact O-CB 3.4Å; C39-R42 PolarHBondContact O-N 3.18Å; C39-L43 PolarHBondContact O-N 3.41Å
40	S	92.6	Very high	88.9	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.028	33%	0.329	C	S	.	.	H	α-helix	trans	-56.1	-44.4	-174.6	-166	0	0	0	0	113.5	C33 S34 D36 R42 L43 R44	C33-S40 WeakPolarHBondContact O-CA 3.38Å; C33-S40 WeakPolarHBondContact O-CB 3.14Å; C33-S40 PolarHBondContact O-N 3.03Å; C33-S40 VanDerWaalsContact O-N 3.09Å; S34-S40 VanDerWaalsContact O-CB 3.29Å; S34-S40 WeakPolarHBondContact O-CB 3.42Å; S34-S40 PolarHBondContact O-OG 3.33Å; D36-S40 WeakPolarHBondContact O-CB 3.4Å; D36-S40 PolarHBondContact O-N 3.16Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.93Å; S40-L43 PolarHBondContact O-N 3.37Å; S40-R44 WeakPolarHBondContact O-CG 3.19Å; S40-R44 PolarHBondContact O-N 3Å; S40-R44 PolarHBondContact OG-NH2 3.29Å
41	P	92.7	Very high	88.2	Confident	50 Å²	50	66.3 Å²	66.3	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.1	-23	34.3	0	0	0	112.9	E37 R44 T45	E37-P41 WeakPolarHBondContact O-CD 3.09Å; E37-P41 WeakPolarHBondContact O-CG 3.45Å; P41-R44 PolarHBondContact O-N 3.43Å; P41-T45 PolarHBondContact O-N 2.86Å; P41-T45 PolarHBondContact O-OG1 2.92Å; P41-T45 VanDerWaalsContact O-OG1 3.09Å
42	R	90.4	Very high	86.5	Confident	123 Å²	123	63.4 Å²	63.4	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-40.2	179.5	-54.3	-58.4	-179.5	-157.8	-0.9	111.4	C39 S40 R44 T45 L46 A69 A72 L73	C39-R42 WeakPolarHBondContact O-CB 3.4Å; C39-R42 PolarHBondContact O-N 3.18Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.93Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-T45 PolarHBondContact O-N 3.46Å; R42-L46 PolarHBondContact O-N 3.4Å; R42-A69 HydrophobicContact CB-CB 4.47Å; R42-A72 HydrophobicContact CG-CB 4.02Å; R42-L73 HydrophobicContact CB-CD1 4.36Å; R42-L73 HydrophobicContact CB-CD2 3.97Å; R42-L73 HydrophobicContact CB-CG 3.93Å
43	L	88.7	Confident	84.7	Confident	10 Å²	10	67 Å²	67	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-39.6	175.3	-176.3	60.5	0	0	0	111.8	C33 C39 S40 L46 R47 L73 L78	C33-L43 HydrophobicContact CB-CD2 4.19Å; C39-L43 PolarHBondContact O-N 3.41Å; S40-L43 PolarHBondContact O-N 3.37Å; L43-L46 PolarHBondContact O-N 3.35Å; L43-R47 WeakPolarHBondContact O-CG 3.24Å; L43-R47 PolarHBondContact O-N 3.15Å; L43-L73 HydrophobicContact CB-CD2 4.19Å; L43-L78 HydrophobicContact CD1-CD1 4.1Å
44	R	89.4	Confident	83.2	Confident	140 Å²	140	67.2 Å²	67.2	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-44.7	173.1	-68.5	178.7	-151.9	130.5	1.2	111.8	S40 P41 R42 L46 R47 Q48	S40-R44 WeakPolarHBondContact O-CG 3.19Å; S40-R44 PolarHBondContact O-N 3Å; S40-R44 PolarHBondContact OG-NH2 3.29Å; P41-R44 PolarHBondContact O-N 3.43Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.03Å; R44-R47 PolarHBondContact O-N 3.18Å; R44-Q48 PolarHBondContact O-N 3.43Å; R44-Q48 VanDerWaalsContact O-N 3.14Å
45	T	87.4	Confident	81.3	Confident	35 Å²	35	65.9 Å²	65.9	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-45.8	174.1	-58.1	0	0	0	0	110.9	P41 R42 R47 Q48 C49 A69	P41-T45 PolarHBondContact O-N 2.86Å; P41-T45 PolarHBondContact O-OG1 2.92Å; P41-T45 VanDerWaalsContact O-OG1 3.09Å; R42-T45 PolarHBondContact O-N 3.46Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 2.93Å; T45-Q48 WeakPolarHBondContact O-CB 3.42Å; T45-Q48 PolarHBondContact O-N 3.01Å; T45-Q48 VanDerWaalsContact O-N 3.11Å; T45-C49 PolarHBondContact O-N 2.98Å; T45-C49 PolarHBondContact O-SG 3.08Å; T45-A69 HydrophobicContact CG2-CB 3.77Å
46	L	85.8	Confident	79.6	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-45.7	177.4	179.6	57.9	0	0	0	111.9	R42 L43 R44 Q48 C49 V50 V70 L73 S99 L100	R42-L46 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 3.35Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.03Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 3.45Å; L46-C49 WeakPolarHBondContact O-CA 3.15Å; L46-C49 VanDerWaalsContact O-CB 3.3Å; L46-C49 WeakPolarHBondContact O-CB 3.37Å; L46-C49 PolarHBondContact O-N 2.96Å; L46-V50 HydrophobicContact CD1-CG1 4.45Å; L46-V50 WeakPolarHBondContact O-CG2 3.23Å; L46-V50 PolarHBondContact O-N 2.8Å; L46-V50 VanDerWaalsContact O-N 3.1Å; L46-V70 HydrophobicContact CD1-CG2 3.44Å; L46-V70 VanDerWaalsContact CD1-CG2 3.44Å; L46-V70 HydrophobicContact CD2-CG2 4.42Å; L46-V70 HydrophobicContact CG-CG2 4.46Å; L46-L73 HydrophobicContact CB-CD1 3.77Å; L46-L73 HydrophobicContact CD2-CD1 3.52Å; L46-L73 HydrophobicContact CG-CD1 4.26Å; L46-S99 WeakPolarHBondContact CD1-O 3.49Å; L46-L100 HydrophobicContact CD2-CD2 3.5Å; L46-L100 HydrophobicContact CD2-CG 3.93Å
47	R	85.8	Confident	78	Confident	128 Å²	128	73.7 Å²	73.7	48%	0.483	38%	0.378	S	S	.	.	H	α-helix	trans	-57.9	-38.5	176.8	-72.2	174.7	-177.6	169.9	2.9	112.2	L43 R44 T45 V50 A51	L43-R47 WeakPolarHBondContact O-CG 3.24Å; L43-R47 PolarHBondContact O-N 3.15Å; R44-R47 PolarHBondContact O-N 3.18Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 2.93Å; R47-V50 WeakPolarHBondContact O-CG2 3.33Å; R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.28Å; R47-A51 VanDerWaalsContact O-N 3.17Å
48	Q	83.4	Confident	76.4	Confident	117 Å²	117	69.5 Å²	69.5	55%	0.547	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-36.9	174.3	-66.7	171.4	-18.9	0	0	111.8	R44 T45 L46 V50 A51	R44-Q48 PolarHBondContact O-N 3.43Å; R44-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 WeakPolarHBondContact O-CB 3.42Å; T45-Q48 PolarHBondContact O-N 3.01Å; T45-Q48 VanDerWaalsContact O-N 3.11Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 3.45Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.44Å; Q48-A51 PolarHBondContact O-N 2.81Å
49	C	80.4	Confident	75.2	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-28.6	178.7	-65.1	0	0	0	0	114.2	T45 L46 G54 C66 I105	T45-C49 PolarHBondContact O-N 2.98Å; T45-C49 PolarHBondContact O-SG 3.08Å; L46-C49 WeakPolarHBondContact O-CA 3.15Å; L46-C49 VanDerWaalsContact O-CB 3.3Å; L46-C49 WeakPolarHBondContact O-CB 3.37Å; L46-C49 PolarHBondContact O-N 2.96Å; C49-G54 WeakPolarHBondContact O-CA 3.14Å; C49-C66 HydrophobicContact CB-CB 3.71Å; C49-C66 WeakPolarHBondContact CB-SG 3.29Å; C49-C66 WeakPolarHBondContact SG-CA 3.41Å; C49-C66 WeakPolarHBondContact SG-CB 3.4Å; C49-C66 CovalentContact SG-SG 2.02Å; C49-C66 PolarHBondContact SG-SG 3.22Å; C49-I105 HydrophobicContact CB-CG2 4.35Å
50	V	79.6	Confident	73.9	Confident	39 Å²	39	72.8 Å²	72.8	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-95.8	-15.9	178.5	-68.4	0	0	0	0	113.7	L46 R47 Q48	L46-V50 HydrophobicContact CD1-CG1 4.45Å; L46-V50 WeakPolarHBondContact O-CG2 3.23Å; L46-V50 PolarHBondContact O-N 2.8Å; L46-V50 VanDerWaalsContact O-N 3.1Å; R47-V50 WeakPolarHBondContact O-CG2 3.33Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.44Å
51	A	75.4	Confident	72.9	Confident	62 Å²	62	74.4 Å²	74.4	51%	0.512	41%	0.409	S	S	.	.	S	Bend	trans	-75.5	129.6	179.6	0	0	0	0	0	112.6	R47 Q48 G54	R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.28Å; R47-A51 VanDerWaalsContact O-N 3.17Å; Q48-A51 PolarHBondContact O-N 2.81Å; A51-G54 PolarHBondContact O-N 2.84Å
52	G	55.4	Low	72	Confident	49 Å²	49	72.1 Å²	72.1	51%	0.505	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	65.6	159.2	0	0	0	0	0	117.8	G54 K57	G52-G54 VanDerWaalsContact C-N 3.32Å; G52-K57 WeakPolarHBondContact O-CD 3.3Å; G52-K57 VanDerWaalsContact O-CE 3.3Å; G52-K57 WeakPolarHBondContact O-CE 3.35Å; G52-K57 PolarHBondContact O-NZ 3.43Å
53	N	54.4	Low	71.4	Confident	141 Å²	141	73.2 Å²	73.2	75%	0.754	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	14.5	-174.2	-71.1	-4.6	0	0	0	115.8	M56	N53-M56 WeakPolarHBondContact O-CB 3.26Å
54	G	57.3	Low	71	Confident	5 Å²	5	75.8 Å²	75.8	5%	0.052	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	55.6	-154.1	164.1	0	0	0	0	0	115.8	C49 A51 G52 M56 K57	C49-G54 WeakPolarHBondContact O-CA 3.14Å; A51-G54 PolarHBondContact O-N 2.84Å; G52-G54 VanDerWaalsContact C-N 3.32Å; G54-M56 PolarHBondContact O-N 3.43Å; G54-K57 PolarHBondContact O-N 3.42Å
55	S	52.5	Low	70.6	Confident	22 Å²	22	74.9 Å²	74.9	15%	0.154	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-49.3	-16.3	-173	64.3	0	0	0	0	116	K57 L58 A62	S55-K57 PolarHBondContact O-N 2.01Å; S55-L58 PolarHBondContact O-N 3.2Å; S55-A62 WeakPolarHBondContact O-CB 3.27Å
56	M	55.9	Low	70.4	Confident	172 Å²	172	73.2 Å²	73.2	85%	0.847	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.3	174.3	-62.1	-80.9	-90.9	0	0	112.8	N53 G54	N53-M56 WeakPolarHBondContact O-CB 3.26Å; G54-M56 PolarHBondContact O-N 3.43Å
57	K	56.8	Low	70.2	Confident	161 Å²	161	74.3 Å²	74.3	70%	0.7	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-90.8	-11.7	177.9	-76.8	-173.3	179.6	166.8	0	114.8	G52 G54 S55	G52-K57 WeakPolarHBondContact O-CD 3.3Å; G52-K57 VanDerWaalsContact O-CE 3.3Å; G52-K57 WeakPolarHBondContact O-CE 3.35Å; G52-K57 PolarHBondContact O-NZ 3.43Å; G54-K57 PolarHBondContact O-N 3.42Å; S55-K57 PolarHBondContact O-N 2.01Å
58	L	59.6	Low	70.1	Confident	77 Å²	77	73.3 Å²	73.3	40%	0.403	42%	0.422	S	S	.	.	S	Bend	trans	-96.3	3.9	-169.1	-76.4	162.3	0	0	0	112.9	S55 A62	S55-L58 PolarHBondContact O-N 3.2Å; L58-A62 HydrophobicContact CB-CB 3.13Å; L58-A62 HydrophobicContact CD1-CB 4.37Å; L58-A62 HydrophobicContact CG-CB 4.36Å
59	G	65.2	Low	70.3	Confident	42 Å²	42	67.8 Å²	67.8	43%	0.433	40%	0.397	S	S	.	.			trans	84.9	179	175.2	0	0	0	0	0	115.3	G61 A62	G59-G61 PolarHBondContact O-N 2.05Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 2.92Å
60	P	64	Low	70.5	Confident	148 Å²	148	67.7 Å²	67.7	96%	0.961	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	121.6	176.9	-15.2	28.6	0	0	0	110.1
61	G	70.5	Confident	70.8	Confident	38 Å²	38	69.2 Å²	69.2	39%	0.392	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-7.7	-177.4	0	0	0	0	0	115.3	G59 R63 S64 Q65	G59-G61 PolarHBondContact O-N 2.05Å; G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 3.02Å; G61-S64 PolarHBondContact O-N 3.2Å; G61-S64 PolarHBondContact O-OG 3.45Å; G61-Q65 WeakPolarHBondContact O-CG 3.48Å; G61-Q65 PolarHBondContact O-N 2.89Å; G61-Q65 VanDerWaalsContact O-N 3.17Å
62	A	75.1	Confident	71.3	Confident	2 Å²	2	68 Å²	68	2%	0.017	40%	0.398	C	S	.	.	H	α-helix	trans	-60.5	-38.7	173.6	0	0	0	0	0	113.5	S55 L58 G59 S64 Q65 C66	S55-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 HydrophobicContact CB-CB 3.13Å; L58-A62 HydrophobicContact CD1-CB 4.37Å; L58-A62 HydrophobicContact CG-CB 4.36Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 2.92Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.05Å; A62-Q65 PolarHBondContact O-N 3.12Å; A62-C66 WeakPolarHBondContact O-CB 3.48Å; A62-C66 PolarHBondContact O-N 3.45Å; A62-C66 PolarHBondContact O-SG 3.32Å
63	R	76.6	Confident	72.8	Confident	145 Å²	145	65.7 Å²	65.7	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-40.6	-178.7	-167.9	175.6	-174.7	155.5	3.2	111.8	G61 C66 A67 I104	G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 3.02Å; R63-C66 PolarHBondContact O-N 3.47Å; R63-A67 WeakPolarHBondContact O-CB 3.46Å; R63-A67 PolarHBondContact O-N 3.32Å; R63-I104 PolarHBondContact NH2-O 3.48Å
64	S	79.8	Confident	74.2	Confident	65 Å²	65	60.4 Å²	60.4	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-36.8	176	56.9	0	0	0	0	111.7	G61 A62 C66 A67 N68	G61-S64 PolarHBondContact O-N 3.2Å; G61-S64 PolarHBondContact O-OG 3.45Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.05Å; S64-C66 PolarHBondContact O-N 3.34Å; S64-A67 PolarHBondContact O-N 3.46Å; S64-N68 VanDerWaalsContact O-CB 3.32Å; S64-N68 WeakPolarHBondContact O-CB 3.46Å; S64-N68 PolarHBondContact O-N 2.97Å; S64-N68 PolarHBondContact O-ND2 3.01Å
65	Q	82.3	Confident	75.4	Confident	120 Å²	120	65.2 Å²	65.2	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-61.7	-42.2	172.7	-68.8	174.8	5	0	0	112.2	G61 A62 N68 A69	G61-Q65 WeakPolarHBondContact O-CG 3.48Å; G61-Q65 PolarHBondContact O-N 2.89Å; G61-Q65 VanDerWaalsContact O-N 3.17Å; A62-Q65 PolarHBondContact O-N 3.12Å; Q65-N68 PolarHBondContact O-N 3.37Å; Q65-A69 WeakPolarHBondContact O-CB 3.17Å; Q65-A69 PolarHBondContact O-N 3.29Å
66	C	82.6	Confident	76.9	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-47.2	174.9	-64.5	0	0	0	0	112.1	C49 A62 R63 S64 N68 A69 V70 I105	C49-C66 HydrophobicContact CB-CB 3.71Å; C49-C66 WeakPolarHBondContact CB-SG 3.29Å; C49-C66 WeakPolarHBondContact SG-CA 3.41Å; C49-C66 WeakPolarHBondContact SG-CB 3.4Å; C49-C66 CovalentContact SG-SG 2.02Å; C49-C66 PolarHBondContact SG-SG 3.22Å; A62-C66 WeakPolarHBondContact O-CB 3.48Å; A62-C66 PolarHBondContact O-N 3.45Å; A62-C66 PolarHBondContact O-SG 3.32Å; R63-C66 PolarHBondContact O-N 3.47Å; S64-C66 PolarHBondContact O-N 3.34Å; C66-N68 PolarHBondContact O-N 2.72Å; C66-A69 PolarHBondContact O-N 3.02Å; C66-V70 PolarHBondContact O-N 2.97Å; C66-I105 HydrophobicContact CB-CG2 4.13Å
67	A	81.4	Confident	78	Confident	25 Å²	25	60.3 Å²	60.3	21%	0.207	36%	0.36	C	S	.	.	H	α-helix	trans	-61.2	-42.9	177.2	0	0	0	0	0	111.9	R63 S64 V70 S71	R63-A67 WeakPolarHBondContact O-CB 3.46Å; R63-A67 PolarHBondContact O-N 3.32Å; S64-A67 PolarHBondContact O-N 3.46Å; A67-V70 PolarHBondContact O-N 3.29Å; A67-S71 WeakPolarHBondContact O-CB 3.32Å; A67-S71 PolarHBondContact O-N 2.89Å
68	N	84.8	Confident	79.3	Confident	107 Å²	107	52.6 Å²	52.6	57%	0.572	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-41.1	176.8	-72.5	-18.1	0	0	0	112.1	S64 Q65 C66 V70 S71 A72	S64-N68 VanDerWaalsContact O-CB 3.32Å; S64-N68 WeakPolarHBondContact O-CB 3.46Å; S64-N68 PolarHBondContact O-N 2.97Å; S64-N68 PolarHBondContact O-ND2 3.01Å; Q65-N68 PolarHBondContact O-N 3.37Å; C66-N68 PolarHBondContact O-N 2.72Å; N68-V70 VanDerWaalsContact C-N 3.35Å; N68-S71 PolarHBondContact O-N 3.48Å; N68-A72 PolarHBondContact O-N 3.4Å; N68-A72 VanDerWaalsContact O-N 3.08Å
69	A	87.2	Confident	80.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-43.7	175.7	0	0	0	0	0	111.4	R42 T45 Q65 C66 A72 L73	R42-A69 HydrophobicContact CB-CB 4.47Å; T45-A69 HydrophobicContact CG2-CB 3.77Å; Q65-A69 WeakPolarHBondContact O-CB 3.17Å; Q65-A69 PolarHBondContact O-N 3.29Å; C66-A69 PolarHBondContact O-N 3.02Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 3.41Å; A69-L73 PolarHBondContact O-N 2.84Å
70	V	84.8	Confident	81.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-44.1	176.5	171.1	0	0	0	0	112.5	L46 C66 A67 N68 A72 L73 L74 H106	L46-V70 HydrophobicContact CD1-CG2 3.44Å; L46-V70 VanDerWaalsContact CD1-CG2 3.44Å; L46-V70 HydrophobicContact CD2-CG2 4.42Å; L46-V70 HydrophobicContact CG-CG2 4.46Å; C66-V70 PolarHBondContact O-N 2.97Å; A67-V70 PolarHBondContact O-N 3.29Å; N68-V70 VanDerWaalsContact C-N 3.35Å; V70-A72 VanDerWaalsContact C-N 3.26Å; V70-A72 PolarHBondContact O-N 3.16Å; V70-L73 CarbonylContact O-C 3.56Å; V70-L73 PolarHBondContact O-N 3.27Å; V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.17Å; V70-L74 WeakPolarHBondContact O-CG 3.03Å; V70-L74 PolarHBondContact O-N 3Å; V70-H106 WeakPolarHBondContact CG2-CE1 3.36Å; V70-H106 WeakPolarHBondContact CG2-ND1 3.43Å; V70-H106 WeakPolarHBondContact CG2-NE2 3.14Å
71	S	84.8	Confident	82.3	Confident	71 Å²	71	50.3 Å²	50.3	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-54.9	-44	176.4	-171.4	0	0	0	0	111.8	A67 N68 L74	A67-S71 WeakPolarHBondContact O-CB 3.32Å; A67-S71 PolarHBondContact O-N 2.89Å; N68-S71 PolarHBondContact O-N 3.48Å; S71-L74 PolarHBondContact O-N 3.46Å
72	A	86.6	Confident	83.3	Confident	36 Å²	36	51 Å²	51	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-66.7	-37.3	175.4	0	0	0	0	0	113.1	R42 N68 A69 V70 L74 S75	R42-A72 HydrophobicContact CG-CB 4.02Å; N68-A72 PolarHBondContact O-N 3.4Å; N68-A72 VanDerWaalsContact O-N 3.08Å; A69-A72 PolarHBondContact O-N 2.95Å; V70-A72 VanDerWaalsContact C-N 3.26Å; V70-A72 PolarHBondContact O-N 3.16Å; A72-L74 VanDerWaalsContact C-N 3.31Å; A72-L74 PolarHBondContact O-N 3.32Å; A72-S75 PolarHBondContact O-N 3.31Å; A72-S75 PolarHBondContact O-OG 3.03Å
73	L	87.6	Confident	84.1	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-71.6	-26.1	176.5	-67.6	167	0	0	0	112.4	R42 L43 L46 A69 V70 S75 S76 L78 L100	R42-L73 HydrophobicContact CB-CD1 4.36Å; R42-L73 HydrophobicContact CB-CD2 3.97Å; R42-L73 HydrophobicContact CB-CG 3.93Å; L43-L73 HydrophobicContact CB-CD2 4.19Å; L46-L73 HydrophobicContact CB-CD1 3.77Å; L46-L73 HydrophobicContact CD2-CD1 3.52Å; L46-L73 HydrophobicContact CG-CD1 4.26Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 3.41Å; A69-L73 PolarHBondContact O-N 2.84Å; V70-L73 CarbonylContact O-C 3.56Å; V70-L73 PolarHBondContact O-N 3.27Å; L73-S75 PolarHBondContact O-N 2.93Å; L73-S76 WeakPolarHBondContact O-CB 3.11Å; L73-S76 PolarHBondContact O-N 3.38Å; L73-S76 PolarHBondContact O-OG 3.35Å; L73-L78 HydrophobicContact CD2-CD1 3.93Å; L73-L100 HydrophobicContact CB-CD2 3.67Å; L73-L100 HydrophobicContact CD1-CD2 3.95Å; L73-L100 HydrophobicContact CG-CD2 4.42Å
74	L	83.8	Confident	84.7	Confident	30 Å²	30	49.4 Å²	49.4	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-20.7	171.7	-70.1	173	0	0	0	112.2	V70 S71 A72 S76 R79 L108 L110	V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.17Å; V70-L74 WeakPolarHBondContact O-CG 3.03Å; V70-L74 PolarHBondContact O-N 3Å; S71-L74 PolarHBondContact O-N 3.46Å; A72-L74 VanDerWaalsContact C-N 3.31Å; A72-L74 PolarHBondContact O-N 3.32Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-R79 HydrophobicContact CD2-CB 4.39Å; L74-R79 HydrophobicContact CD2-CG 4.03Å; L74-R79 VanDerWaalsContact O-CB 3.23Å; L74-R79 WeakPolarHBondContact O-CB 3.5Å; L74-R79 WeakPolarHBondContact O-CD 3.38Å; L74-L108 HydrophobicContact CD1-CD1 4.41Å; L74-L110 HydrophobicContact CD1-CD1 4.47Å; L74-L110 HydrophobicContact CD1-CD2 4.42Å
75	S	82.3	Confident	85.2	Confident	106 Å²	106	48.5 Å²	48.5	74%	0.741	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.7	168.3	49.5	0	0	0	0	114.5	A72 L73	A72-S75 PolarHBondContact O-N 3.31Å; A72-S75 PolarHBondContact O-OG 3.03Å; L73-S75 PolarHBondContact O-N 2.93Å
76	S	82.8	Confident	85.4	Confident	22 Å²	22	43.4 Å²	43.4	15%	0.154	25%	0.253	C	S	.	.	S	Bend	trans	-102	171.3	-178.2	82.8	0	0	0	0	112.3	L73 L74 L78 R79	L73-S76 WeakPolarHBondContact O-CB 3.11Å; L73-S76 PolarHBondContact O-N 3.38Å; L73-S76 PolarHBondContact O-OG 3.35Å; L74-S76 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.91Å; S76-L78 WeakPolarHBondContact OG-CB 3.3Å; S76-L78 PolarHBondContact OG-N 3.4Å; S76-R79 PolarHBondContact O-N 2.87Å; S76-R79 VanDerWaalsContact O-N 3.13Å
77	P	80.1	Confident	85.8	Confident	68 Å²	68	45 Å²	45	44%	0.442	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.8	174	-26.2	35.9	0	0	0	114.7	R79	P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.16Å
78	L	83.4	Confident	86.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.2	177.6	-76.8	167	0	0	0	114.6	A29 C33 L43 L73 S76 G80 C81 I96 L100	A29-L78 HydrophobicContact CB-CD2 3.86Å; A29-L78 HydrophobicContact CB-CG 4.34Å; C33-L78 HydrophobicContact CB-CD1 3.74Å; C33-L78 HydrophobicContact CB-CG 4.28Å; L43-L78 HydrophobicContact CD1-CD1 4.1Å; L73-L78 HydrophobicContact CD2-CD1 3.93Å; S76-L78 PolarHBondContact O-N 2.91Å; S76-L78 WeakPolarHBondContact OG-CB 3.3Å; S76-L78 PolarHBondContact OG-N 3.4Å; L78-G80 PolarHBondContact O-N 2.85Å; L78-C81 PolarHBondContact O-N 3.41Å; L78-C81 PolarHBondContact O-SG 2.78Å; L78-C81 VanDerWaalsContact O-SG 3.37Å; L78-I96 HydrophobicContact CD2-CG2 3.78Å; L78-L100 HydrophobicContact CB-CD1 3.74Å; L78-L100 HydrophobicContact CD2-CD1 4.23Å; L78-L100 HydrophobicContact CG-CD1 4.43Å
79	R	83.4	Confident	86.5	Confident	163 Å²	163	54.7 Å²	54.7	62%	0.615	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-42.1	-175.3	176.9	167.1	175	-108.4	5.4	113.6	L74 S76 P77	L74-R79 HydrophobicContact CD2-CB 4.39Å; L74-R79 HydrophobicContact CD2-CG 4.03Å; L74-R79 VanDerWaalsContact O-CB 3.23Å; L74-R79 WeakPolarHBondContact O-CB 3.5Å; L74-R79 WeakPolarHBondContact O-CD 3.38Å; S76-R79 PolarHBondContact O-N 2.87Å; S76-R79 VanDerWaalsContact O-N 3.13Å; P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.16Å
80	G	80.5	Confident	86.8	Confident	54 Å²	54	55.8 Å²	55.8	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	12.5	-175.3	0	0	0	0	0	113.4	L78	L78-G80 PolarHBondContact O-N 2.85Å
81	C	88.2	Confident	87.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	32%	0.323	C	S	.	.			trans	-69	144.1	-176.4	79.3	0	0	0	0	110.8	T24 C26 A29 L78 Y97	T24-C81 WeakPolarHBondContact O-CA 3.24Å; T24-C81 VanDerWaalsContact O-CB 3.24Å; T24-C81 WeakPolarHBondContact O-CB 3.46Å; C26-C81 WeakPolarHBondContact CA-SG 3.45Å; C26-C81 HydrophobicContact CB-CB 3.82Å; C26-C81 WeakPolarHBondContact CB-SG 3.07Å; C26-C81 WeakPolarHBondContact SG-CB 2.96Å; C26-C81 PolarHBondContact SG-O 3.03Å; C26-C81 VanDerWaalsContact SG-O 3.38Å; C26-C81 CovalentContact SG-SG 2.04Å; C26-C81 PolarHBondContact SG-SG 3Å; A29-C81 HydrophobicContact CB-CB 3.99Å; L78-C81 PolarHBondContact O-N 3.41Å; L78-C81 PolarHBondContact O-SG 2.78Å; L78-C81 VanDerWaalsContact O-SG 3.37Å; C81-Y97 WeakPolarHBondContact O-CD2 3.42Å
82	Q	90.4	Very high	87.5	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.243	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-128.4	169.7	177.5	-67.9	-178.7	-41.2	0	0	110.1	T24 D25 C26 P115 E117	T24-Q82 PolarHBondContact O-N 3.2Å; D25-Q82 VanDerWaalsContact CA-O 3.32Å; D25-Q82 WeakPolarHBondContact CA-O 3.45Å; C26-Q82 PolarHBondContact N-O 3.18Å; C26-Q82 VanDerWaalsContact N-O 3.09Å; Q82-P115 CarbonylContact C-O 3.49Å; Q82-P115 WeakPolarHBondContact CA-O 3.17Å; Q82-E117 HydrophobicContact CB-CB 4.46Å; Q82-E117 HydrophobicContact CB-CG 3.46Å; Q82-E117 VanDerWaalsContact CB-CG 3.46Å; Q82-E117 HydrophobicContact CG-CG 4.4Å
83	C	92.3	Very high	87.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-120.6	156.7	179	-63.2	0	0	0	0	110.3	M87 C93 L94 P115 Y116 E117	C83-M87 HydrophobicContact CB-SD 4.23Å; C83-C93 WeakPolarHBondContact CA-SG 3.13Å; C83-C93 HydrophobicContact CB-CB 4.02Å; C83-C93 WeakPolarHBondContact CB-SG 3.32Å; C83-C93 WeakPolarHBondContact SG-CB 3.27Å; C83-C93 CovalentContact SG-SG 2.04Å; C83-C93 PolarHBondContact SG-SG 3.21Å; C83-L94 HydrophobicContact CB-CD2 3.88Å; C83-P115 PolarHBondContact N-O 2.84Å; C83-Y116 HydrophobicContact CB-CD1 4.21Å; C83-Y116 HydrophobicContact CB-CE1 4.46Å; C83-Y116 CarbonylContact O-C 3.48Å; C83-Y116 VanDerWaalsContact O-CA 3.25Å; C83-Y116 WeakPolarHBondContact O-CA 3.3Å; C83-E117 PolarHBondContact O-N 3.26Å
84	K	90.5	Very high	88.1	Confident	115 Å²	115	60.9 Å²	60.9	50%	0.5	31%	0.309	S	S	.	.			trans	-106.7	136.5	175.5	-63.9	179.5	-178.4	-179	0	110.4	M87 E117	K84-M87 HydrophobicContact CB-CB 4.39Å; K84-M87 WeakPolarHBondContact O-CB 3.46Å; K84-M87 WeakPolarHBondContact O-CG 3.03Å; K84-M87 PolarHBondContact O-N 3.2Å; K84-M87 VanDerWaalsContact O-SD 3.41Å; K84-E117 WeakPolarHBondContact CE-OE1 3.43Å; K84-E117 WeakPolarHBondContact CE-OE2 3.36Å; K84-E117 HydrophobicContact CG-CG 4.49Å; K84-E117 WeakPolarHBondContact CG-OE1 3.48Å; K84-E117 IonicContact NZ-OE1 3.96Å; K84-E117 IonicContact NZ-OE2 3.91Å
85	R	89.7	Confident	88.5	Confident	46 Å²	46	61.2 Å²	61.2	17%	0.174	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	141	172.9	-74.3	-176.9	56.1	-171.8	-9.5	110.5	M87 Y116 F192 D193 L279	R85-M87 PolarHBondContact O-N 3.24Å; R85-Y116 HydrophobicContact CG-CD1 3.73Å; R85-Y116 HydrophobicContact CG-CD2 4.48Å; R85-Y116 HydrophobicContact CG-CE1 3.8Å; R85-Y116 HydrophobicContact CG-CG 4.1Å; R85-F192 PolarHBondContact NH2-O 2.99Å; R85-D193 IonicContact CZ-OD1 3.48Å; R85-D193 IonicContact NE-OD1 3.67Å; R85-D193 PolarHBondContact NE-OD1 2.98Å; R85-D193 VanDerWaalsContact NE-OD1 3.1Å; R85-D193 IonicContact NH2-OD1 2.75Å; R85-D193 PolarHBondContact NH2-OD1 2.75Å; R85-L279 PolarHBondContact NH1-O 3.08Å
86	G	86.5	Confident	88.8	Confident	13 Å²	13	57.9 Å²	57.9	13%	0.134	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.9	175.6	0	0	0	0	0	116	R194	G86-R194 PolarHBondContact O-NH2 2.91Å
87	M	89.9	Confident	89.1	Confident	34 Å²	34	57.1 Å²	57.1	17%	0.167	28%	0.281	C	S	.	.			trans	-68.7	150.4	175.2	71.4	-176	-66.4	0	0	111.6	D25 L27 C83 K84 R85 K89 E90 C93	D25-M87 WeakPolarHBondContact OD2-CE 3.46Å; L27-M87 HydrophobicContact CD1-CE 3.43Å; L27-M87 VanDerWaalsContact CD1-CE 3.43Å; L27-M87 HydrophobicContact CG-CE 4.24Å; C83-M87 HydrophobicContact CB-SD 4.23Å; K84-M87 HydrophobicContact CB-CB 4.39Å; K84-M87 WeakPolarHBondContact O-CB 3.46Å; K84-M87 WeakPolarHBondContact O-CG 3.03Å; K84-M87 PolarHBondContact O-N 3.2Å; K84-M87 VanDerWaalsContact O-SD 3.41Å; R85-M87 PolarHBondContact O-N 3.24Å; M87-K89 VanDerWaalsContact C-N 3.26Å; M87-K89 PolarHBondContact O-N 3.04Å; M87-K89 VanDerWaalsContact O-N 3.15Å; M87-E90 HydrophobicContact CG-CB 3.61Å; M87-E90 HydrophobicContact CG-CG 4.29Å; M87-E90 WeakPolarHBondContact O-CB 3.39Å; M87-E90 PolarHBondContact O-N 2.88Å; M87-C93 HydrophobicContact CE-CB 3.89Å; M87-C93 HydrophobicContact SD-CB 3.7Å
88	K	88.9	Confident	89.5	Confident	208 Å²	208	54.1 Å²	54.1	90%	0.904	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34.9	-172.2	-170.7	176	-179.1	178.9	0	113.8
89	K	92.6	Very high	89.5	Confident	128 Å²	128	54.8 Å²	54.8	56%	0.557	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	35.5	-179.3	-68.8	-177.8	-178.9	176.9	0	112	L27 M87 K91 N92 C93	L27-K89 HydrophobicContact CD1-CB 3.69Å; L27-K89 HydrophobicContact CD1-CD 4.37Å; M87-K89 VanDerWaalsContact C-N 3.26Å; M87-K89 PolarHBondContact O-N 3.04Å; M87-K89 VanDerWaalsContact O-N 3.15Å; K89-K91 PolarHBondContact O-N 3.46Å; K89-N92 HydrophobicContact CB-CB 4.34Å; K89-N92 WeakPolarHBondContact O-CB 3.28Å; K89-N92 PolarHBondContact O-N 2.92Å; K89-C93 PolarHBondContact O-N 3.39Å
90	E	92.8	Very high	89.4	Confident	24 Å²	24	47.1 Å²	47.1	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-49.2	-52	-176.1	-176	-178.6	-157	0	0	112.3	M87 N92 C93 L94 Y116 R251	M87-E90 HydrophobicContact CG-CB 3.61Å; M87-E90 HydrophobicContact CG-CG 4.29Å; M87-E90 WeakPolarHBondContact O-CB 3.39Å; M87-E90 PolarHBondContact O-N 2.88Å; E90-N92 PolarHBondContact O-N 2.74Å; E90-C93 WeakPolarHBondContact O-CB 3.45Å; E90-C93 PolarHBondContact O-N 2.03Å; E90-C93 VanDerWaalsContact O-N 3.14Å; E90-L94 HydrophobicContact CG-CD1 3.92Å; E90-L94 HydrophobicContact CG-CG 4.42Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.42Å; E90-L94 PolarHBondContact O-N 3.32Å; E90-Y116 HydrophobicContact CG-CE1 4.39Å; E90-Y116 PolarHBondContact OE1-OH 2.81Å; E90-R251 IonicContact OE1-NE 3.95Å; E90-R251 IonicContact OE1-NH2 3.76Å; E90-R251 PolarHBondContact OE1-NH2 3.32Å; E90-R251 IonicContact OE2-NH2 3.65Å
91	K	92.6	Very high	89.2	Confident	121 Å²	121	46 Å²	46	53%	0.526	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-36.3	179.3	-173.4	174	179.4	172.1	0	113.2	K89 S95 Y246	K89-K91 PolarHBondContact O-N 3.46Å; K91-S95 WeakPolarHBondContact O-CB 3.34Å; K91-S95 PolarHBondContact O-N 3.35Å; K91-Y246 HydrophobicContact CG-CD2 4.35Å
92	N	92.9	Very high	88.5	Confident	93 Å²	93	48.6 Å²	48.6	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-73.5	-42.5	179.1	-67	7.4	0	0	0	110.9	L27 K89 E90 L94 S95 I96	L27-N92 HydrophobicContact CD2-CB 3.93Å; K89-N92 HydrophobicContact CB-CB 4.34Å; K89-N92 WeakPolarHBondContact O-CB 3.28Å; K89-N92 PolarHBondContact O-N 2.92Å; E90-N92 PolarHBondContact O-N 2.74Å; N92-L94 VanDerWaalsContact C-N 3.35Å; N92-L94 PolarHBondContact O-N 2.93Å; N92-S95 WeakPolarHBondContact O-CB 3.2Å; N92-S95 PolarHBondContact O-N 3.17Å; N92-I96 WeakPolarHBondContact O-CG1 3.34Å; N92-I96 PolarHBondContact O-N 3.34Å; N92-I96 VanDerWaalsContact O-N 3.1Å
93	C	93.9	Very high	86.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-51.3	174.5	-175.1	0	0	0	0	110.7	D25 L27 C83 M87 K89 E90 S95 I96 Y97	D25-C93 PolarHBondContact OD1-SG 3.33Å; D25-C93 VanDerWaalsContact OD1-SG 3.36Å; L27-C93 HydrophobicContact CD1-CB 4.34Å; L27-C93 HydrophobicContact CD2-CB 4.3Å; L27-C93 HydrophobicContact CG-CB 3.94Å; C83-C93 WeakPolarHBondContact CA-SG 3.13Å; C83-C93 HydrophobicContact CB-CB 4.02Å; C83-C93 WeakPolarHBondContact CB-SG 3.32Å; C83-C93 WeakPolarHBondContact SG-CB 3.27Å; C83-C93 CovalentContact SG-SG 2.04Å; C83-C93 PolarHBondContact SG-SG 3.21Å; M87-C93 HydrophobicContact CE-CB 3.89Å; M87-C93 HydrophobicContact SD-CB 3.7Å; K89-C93 PolarHBondContact O-N 3.39Å; E90-C93 WeakPolarHBondContact O-CB 3.45Å; E90-C93 PolarHBondContact O-N 2.03Å; E90-C93 VanDerWaalsContact O-N 3.14Å; C93-S95 VanDerWaalsContact C-N 3.31Å; C93-S95 PolarHBondContact O-N 2.87Å; C93-I96 WeakPolarHBondContact O-CB 3.48Å; C93-I96 PolarHBondContact O-N 3.1Å; C93-I96 VanDerWaalsContact O-N 3.1Å; C93-Y97 PolarHBondContact O-N 3.34Å; C93-Y97 VanDerWaalsContact O-N 3.08Å
94	L	92.9	Very high	84.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-37.1	179	-62.3	173.7	0	0	0	112.2	C83 E90 N92 I96 Y97 W98 P115 Y116 V247 S250	C83-L94 HydrophobicContact CB-CD2 3.88Å; E90-L94 HydrophobicContact CG-CD1 3.92Å; E90-L94 HydrophobicContact CG-CG 4.42Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.42Å; E90-L94 PolarHBondContact O-N 3.32Å; N92-L94 VanDerWaalsContact C-N 3.35Å; N92-L94 PolarHBondContact O-N 2.93Å; L94-I96 VanDerWaalsContact C-N 3.29Å; L94-I96 PolarHBondContact O-N 2.91Å; L94-Y97 PolarHBondContact O-N 2.89Å; L94-W98 WeakPolarHBondContact O-CB 3.01Å; L94-W98 PolarHBondContact O-N 3.21Å; L94-P115 HydrophobicContact CD2-CB 3.65Å; L94-P115 HydrophobicContact CD2-CG 3.48Å; L94-P115 VanDerWaalsContact CD2-CG 3.48Å; L94-Y116 HydrophobicContact CD1-CE1 4.45Å; L94-Y116 WeakPolarHBondContact CD1-OH 3.35Å; L94-Y116 HydrophobicContact CD2-CE1 3.97Å; L94-V247 HydrophobicContact CD1-CB 4.44Å; L94-V247 HydrophobicContact CD1-CG2 3.99Å; L94-S250 WeakPolarHBondContact CD2-OG 3.4Å
95	S	90.9	Very high	83	Confident	38 Å²	38	50.5 Å²	50.5	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-37.2	175.4	-172.8	0	0	0	0	112.1	K91 N92 C93 S99 Y246	K91-S95 WeakPolarHBondContact O-CB 3.34Å; K91-S95 PolarHBondContact O-N 3.35Å; N92-S95 WeakPolarHBondContact O-CB 3.2Å; N92-S95 PolarHBondContact O-N 3.17Å; C93-S95 VanDerWaalsContact C-N 3.31Å; C93-S95 PolarHBondContact O-N 2.87Å; S95-S99 WeakPolarHBondContact O-CB 3.38Å; S95-S99 PolarHBondContact O-N 2.82Å; S95-S99 PolarHBondContact O-OG 3.22Å; S95-Y246 WeakPolarHBondContact OG-CE2 3.35Å
96	I	89.4	Confident	81.3	Confident	35 Å²	35	48.8 Å²	48.8	18%	0.179	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-50.5	175.5	-65.7	169.4	0	0	0	109.6	C26 L27 L78 N92 C93 L94 W98 S99	C26-I96 HydrophobicContact CB-CB 4.23Å; C26-I96 HydrophobicContact CB-CG2 4.1Å; C26-I96 WeakPolarHBondContact O-CD1 3.46Å; L27-I96 HydrophobicContact CD2-CD1 3.99Å; L78-I96 HydrophobicContact CD2-CG2 3.78Å; N92-I96 WeakPolarHBondContact O-CG1 3.34Å; N92-I96 PolarHBondContact O-N 3.34Å; N92-I96 VanDerWaalsContact O-N 3.1Å; C93-I96 WeakPolarHBondContact O-CB 3.48Å; C93-I96 PolarHBondContact O-N 3.1Å; C93-I96 VanDerWaalsContact O-N 3.1Å; L94-I96 VanDerWaalsContact C-N 3.29Å; L94-I96 PolarHBondContact O-N 2.91Å; I96-W98 PolarHBondContact O-N 3.22Å; I96-S99 WeakPolarHBondContact O-CB 3.33Å; I96-S99 PolarHBondContact O-N 3.24Å
97	Y	89.7	Confident	79.4	Confident	7 Å²	7	51 Å²	51	3%	0.027	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-52.2	178.6	179.5	-85.6	0	0	0	112.4	C81 C93 L94 S99 L100 H101 S113 P115	C81-Y97 WeakPolarHBondContact O-CD2 3.42Å; C93-Y97 PolarHBondContact O-N 3.34Å; C93-Y97 VanDerWaalsContact O-N 3.08Å; L94-Y97 PolarHBondContact O-N 2.89Å; Y97-S99 VanDerWaalsContact C-N 3.26Å; Y97-S99 PolarHBondContact O-N 2.93Å; Y97-L100 PolarHBondContact O-N 3.38Å; Y97-L100 VanDerWaalsContact O-N 3.17Å; Y97-H101 AromaticContact CD1-ND1 3.76Å; Y97-H101 AromaticContact CD2-CE1 3.87Å; Y97-H101 AromaticContact CD2-ND1 3.89Å; Y97-H101 HydrophobicContact CE1-CB 4.16Å; Y97-H101 AromaticContact CE1-CG 3.81Å; Y97-H101 AromaticContact CE1-ND1 3.63Å; Y97-H101 AromaticContact CE2-CE1 3.48Å; Y97-H101 VanDerWaalsContact CE2-CE1 3.48Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.05Å; Y97-H101 AromaticContact CE2-ND1 3.74Å; Y97-H101 AromaticContact CG-ND1 3.92Å; Y97-H101 AromaticContact CZ-CE1 3.64Å; Y97-H101 AromaticContact CZ-CG 3.93Å; Y97-H101 AromaticContact CZ-ND1 3.61Å; Y97-H101 AromaticContact CZ-NE2 3.99Å; Y97-H101 PolarHBondContact O-N 3.34Å; Y97-H101 PolarHBondContact O-ND1 3.26Å; Y97-S113 VanDerWaalsContact OH-CB 3.29Å; Y97-S113 WeakPolarHBondContact OH-CB 3.4Å; Y97-S113 PolarHBondContact OH-O 3.12Å; Y97-P115 HydrophobicContact CD1-CB 3.48Å; Y97-P115 VanDerWaalsContact CD1-CB 3.48Å; Y97-P115 HydrophobicContact CD1-CG 4.25Å; Y97-P115 HydrophobicContact CD2-CB 3.83Å; Y97-P115 HydrophobicContact CE1-CB 3.68Å; Y97-P115 HydrophobicContact CE1-CG 4.3Å; Y97-P115 HydrophobicContact CE2-CB 4.03Å; Y97-P115 HydrophobicContact CG-CB 3.53Å
98	W	87.4	Confident	77.7	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-24.5	-176	-76.8	115.8	0	0	0	113	L94 I96 L100 H101 Q102 P115 Y246 R249 S250	L94-W98 WeakPolarHBondContact O-CB 3.01Å; L94-W98 PolarHBondContact O-N 3.21Å; I96-W98 PolarHBondContact O-N 3.22Å; W98-L100 VanDerWaalsContact C-N 3.27Å; W98-L100 PolarHBondContact O-N 3.04Å; W98-H101 HydrophobicContact CE3-CB 4.27Å; W98-H101 PolarHBondContact O-N 3.12Å; W98-Q102 WeakPolarHBondContact O-CB 3.02Å; W98-Q102 PolarHBondContact O-N 3.48Å; W98-P115 HydrophobicContact CZ2-CG 4.38Å; W98-Y246 HydrophobicContact CB-CD1 4Å; W98-Y246 HydrophobicContact CB-CE1 3.69Å; W98-Y246 AromaticContact CD1-CD1 3.48Å; W98-Y246 VanDerWaalsContact CD1-CD1 3.48Å; W98-Y246 AromaticContact CG-CD1 3.96Å; W98-Y246 HydrophobicContact CG-CD1 3.96Å; W98-Y246 HydrophobicContact CG-CE1 4.14Å; W98-R249 HydrophobicContact CH2-CG 4.34Å; W98-R249 HydrophobicContact CZ2-CG 3.84Å; W98-S250 PolarHBondContact NE1-OG 2.78Å
99	S	83.9	Confident	75.6	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-37.9	173.8	-62.1	0	0	0	0	111.5	L46 S95 I96 Y97 H106	L46-S99 WeakPolarHBondContact CD1-O 3.49Å; S95-S99 WeakPolarHBondContact O-CB 3.38Å; S95-S99 PolarHBondContact O-N 2.82Å; S95-S99 PolarHBondContact O-OG 3.22Å; I96-S99 WeakPolarHBondContact O-CB 3.33Å; I96-S99 PolarHBondContact O-N 3.24Å; Y97-S99 VanDerWaalsContact C-N 3.26Å; Y97-S99 PolarHBondContact O-N 2.93Å; S99-H106 PolarHBondContact O-NE2 3.42Å
100	L	80.6	Confident	73.7	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-74.8	-37.1	178	-65.4	158	0	0	0	112.1	L46 L73 L78 Y97 W98 H106	L46-L100 HydrophobicContact CD2-CD2 3.5Å; L46-L100 HydrophobicContact CD2-CG 3.93Å; L73-L100 HydrophobicContact CB-CD2 3.67Å; L73-L100 HydrophobicContact CD1-CD2 3.95Å; L73-L100 HydrophobicContact CG-CD2 4.42Å; L78-L100 HydrophobicContact CB-CD1 3.74Å; L78-L100 HydrophobicContact CD2-CD1 4.23Å; L78-L100 HydrophobicContact CG-CD1 4.43Å; Y97-L100 PolarHBondContact O-N 3.38Å; Y97-L100 VanDerWaalsContact O-N 3.17Å; W98-L100 VanDerWaalsContact C-N 3.27Å; W98-L100 PolarHBondContact O-N 3.04Å; L100-H106 PolarHBondContact O-CD2 3.41Å
101	H	77.6	Confident	71.8	Confident	30 Å²	30	52.5 Å²	52.5	14%	0.139	30%	0.295	C	S	.	.	S	Bend	trans	-94	10.7	-171.7	-67.2	86.1	0	0	0	114.6	Y97 W98 S103	Y97-H101 AromaticContact CD1-ND1 3.76Å; Y97-H101 AromaticContact CD2-CE1 3.87Å; Y97-H101 AromaticContact CD2-ND1 3.89Å; Y97-H101 HydrophobicContact CE1-CB 4.16Å; Y97-H101 AromaticContact CE1-CG 3.81Å; Y97-H101 AromaticContact CE1-ND1 3.63Å; Y97-H101 AromaticContact CE2-CE1 3.48Å; Y97-H101 VanDerWaalsContact CE2-CE1 3.48Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.05Å; Y97-H101 AromaticContact CE2-ND1 3.74Å; Y97-H101 AromaticContact CG-ND1 3.92Å; Y97-H101 AromaticContact CZ-CE1 3.64Å; Y97-H101 AromaticContact CZ-CG 3.93Å; Y97-H101 AromaticContact CZ-ND1 3.61Å; Y97-H101 AromaticContact CZ-NE2 3.99Å; Y97-H101 PolarHBondContact O-N 3.34Å; Y97-H101 PolarHBondContact O-ND1 3.26Å; W98-H101 HydrophobicContact CE3-CB 4.27Å; W98-H101 PolarHBondContact O-N 3.12Å; H101-S103 PolarHBondContact O-N 2.9Å
102	Q	72.1	Confident	69.9	Low	56 Å²	56	52.5 Å²	52.5	26%	0.262	30%	0.297	S	S	.	.			trans	-77.2	86.1	-178.8	-163	158.3	0.2	0	0	112.3	W98 I104 I105 H106	W98-Q102 WeakPolarHBondContact O-CB 3.02Å; W98-Q102 PolarHBondContact O-N 3.48Å; Q102-I104 VanDerWaalsContact C-N 3.25Å; Q102-I104 PolarHBondContact O-N 3.43Å; Q102-I104 VanDerWaalsContact O-N 3.11Å; Q102-I105 HydrophobicContact CG-CG1 4.05Å; Q102-I105 PolarHBondContact O-N 3.35Å; Q102-I105 VanDerWaalsContact O-N 3.08Å; Q102-H106 PolarHBondContact O-CD2 2.75Å
103	S	55.1	Low	68.9	Low	54 Å²	54	51.3 Å²	51.3	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-48.8	-37.5	-176.6	57.1	0	0	0	0	115.2	H101 I105 H106 G107	H101-S103 PolarHBondContact O-N 2.9Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 2.79Å; S103-H106 PolarHBondContact O-N 3.27Å; S103-G107 PolarHBondContact O-N 3.35Å; S103-G107 VanDerWaalsContact O-N 3.14Å
104	I	52	Low	68.4	Low	130 Å²	130	52.7 Å²	52.7	67%	0.667	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-35.9	-178.3	-63.3	172.6	0	0	0	112.3	R63 Q102	R63-I104 PolarHBondContact NH2-O 3.48Å; Q102-I104 VanDerWaalsContact C-N 3.25Å; Q102-I104 PolarHBondContact O-N 3.43Å; Q102-I104 VanDerWaalsContact O-N 3.11Å
105	I	52.3	Low	68.2	Low	23 Å²	23	52.7 Å²	52.7	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-80.1	-35.1	-177.8	-59.1	-64.6	0	0	0	110.6	C49 C66 Q102 S103	C49-I105 HydrophobicContact CB-CG2 4.35Å; C66-I105 HydrophobicContact CB-CG2 4.13Å; Q102-I105 HydrophobicContact CG-CG1 4.05Å; Q102-I105 PolarHBondContact O-N 3.35Å; Q102-I105 VanDerWaalsContact O-N 3.08Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 2.79Å
106	H	52.1	Low	68.1	Low	9 Å²	9	51 Å²	51	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-99	-14	-164.2	-52	-42.7	0	0	0	114.2	V70 S99 L100 Q102 S103 L108	V70-H106 WeakPolarHBondContact CG2-CE1 3.36Å; V70-H106 WeakPolarHBondContact CG2-ND1 3.43Å; V70-H106 WeakPolarHBondContact CG2-NE2 3.14Å; S99-H106 PolarHBondContact O-NE2 3.42Å; L100-H106 PolarHBondContact O-CD2 3.41Å; Q102-H106 PolarHBondContact O-CD2 2.75Å; S103-H106 PolarHBondContact O-N 3.27Å; H106-L108 PolarHBondContact O-N 3.31Å; H106-L108 VanDerWaalsContact O-N 3.11Å
107	G	48.4	Very low	68	Low	60 Å²	60	51.6 Å²	51.6	62%	0.619	29%	0.291	S	S	*	.			trans	66	8.5	-177.5	0	0	0	0	0	114	S103	S103-G107 PolarHBondContact O-N 3.35Å; S103-G107 VanDerWaalsContact O-N 3.14Å
108	L	52.5	Low	67.2	Low	72 Å²	72	54.7 Å²	54.7	38%	0.377	31%	0.311	S	S	.	.			trans	-103.2	117.9	177.3	-64.8	169.7	0	0	0	108.1	L74 H106 L110	L74-L108 HydrophobicContact CD1-CD1 4.41Å; H106-L108 PolarHBondContact O-N 3.31Å; H106-L108 VanDerWaalsContact O-N 3.11Å; L108-L110 HydrophobicContact CB-CG 4.45Å; L108-L110 PolarHBondContact O-N 3.39Å
109	N	46.7	Very low	66.1	Low	163 Å²	163	57.7 Å²	57.7	87%	0.872	33%	0.329	S	S	*	.			trans	-76.3	74.7	169.2	-81.2	-29.7	0	0	0	109.1	V111	N109-V111 PolarHBondContact O-N 3.34Å
110	L	52.2	Low	64.7	Low	64 Å²	64	65.6 Å²	65.6	34%	0.335	37%	0.365	S	S	.	.			trans	-67.2	125.5	167	-71	155.5	0	0	0	107.6	L74 L108 E112	L74-L110 HydrophobicContact CD1-CD1 4.47Å; L74-L110 HydrophobicContact CD1-CD2 4.42Å; L108-L110 HydrophobicContact CB-CG 4.45Å; L108-L110 PolarHBondContact O-N 3.39Å; L110-E112 PolarHBondContact O-N 2.89Å
111	V	51.6	Low	63.3	Low	126 Å²	126	73.7 Å²	73.7	76%	0.764	40%	0.395	S	S	*	.			trans	-53.5	130.3	173.1	175.5	0	0	0	0	108.1	N109 S113	N109-V111 PolarHBondContact O-N 3.34Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 3.31Å
112	E	54.2	Low	62	Low	122 Å²	122	79 Å²	79	57%	0.57	43%	0.425	S	S	*	.			trans	-65.5	87.8	-173	-167.1	166.7	-160.5	0	0	110.4	L110	L110-E112 PolarHBondContact O-N 2.89Å
113	S	70.4	Confident	61.1	Low	67 Å²	67	78.2 Å²	78.2	47%	0.469	42%	0.419	S	S	.	.			trans	-77.4	142.9	164.7	-60.6	0	0	0	0	108.4	Y97 V111	Y97-S113 VanDerWaalsContact OH-CB 3.29Å; Y97-S113 WeakPolarHBondContact OH-CB 3.4Å; Y97-S113 PolarHBondContact OH-O 3.12Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 3.31Å
114	Y	83.8	Confident	60.8	Low	30 Å²	30	81.3 Å²	81.3	12%	0.118	43%	0.432	C	S	.	.			trans	-88.5	147.3	171.8	62.2	-88.1	0	0	0	110.1	Y116 T118 Q254 F257 V258	Y114-Y116 VanDerWaalsContact C-N 3.32Å; Y114-Y116 WeakPolarHBondContact CD2-O 3.28Å; Y114-Y116 WeakPolarHBondContact CE2-O 3.43Å; Y114-Y116 PolarHBondContact O-N 2.99Å; Y114-T118 VanDerWaalsContact OH-CG2 3.22Å; Y114-T118 WeakPolarHBondContact OH-CG2 3.49Å; Y114-Q254 HydrophobicContact CD2-CB 3.82Å; Y114-Q254 HydrophobicContact CD2-CG 3.76Å; Y114-Q254 HydrophobicContact CE2-CB 4.4Å; Y114-Q254 HydrophobicContact CE2-CG 3.83Å; Y114-Q254 HydrophobicContact CG-CB 3.98Å; Y114-Q254 HydrophobicContact CG-CG 4.26Å; Y114-F257 HydrophobicContact CD1-CB 3.9Å; Y114-F257 AromaticContact CD1-CD1 3.92Å; Y114-F257 HydrophobicContact CD1-CD1 3.92Å; Y114-F257 AromaticContact CD1-CG 3.85Å; Y114-F257 HydrophobicContact CD1-CG 3.85Å; Y114-F257 HydrophobicContact CE1-CB 4.2Å; Y114-F257 AromaticContact CE1-CD1 3.4Å; Y114-F257 HydrophobicContact CE1-CD1 3.4Å; Y114-F257 AromaticContact CE1-CE1 3.89Å; Y114-F257 HydrophobicContact CE1-CE1 3.89Å; Y114-F257 AromaticContact CE1-CG 3.84Å; Y114-F257 HydrophobicContact CE1-CG 3.84Å; Y114-V258 HydrophobicContact CE1-CG2 4.25Å
115	P	88.6	Confident	60.8	Low	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.41	C	S	.	.	S	Bend	trans	-77.3	-11	-168.5	27	-34.6	0	0	0	115.4	Q82 C83 L94 Y97 W98 S250	Q82-P115 CarbonylContact C-O 3.49Å; Q82-P115 WeakPolarHBondContact CA-O 3.17Å; C83-P115 PolarHBondContact N-O 2.84Å; L94-P115 HydrophobicContact CD2-CB 3.65Å; L94-P115 HydrophobicContact CD2-CG 3.48Å; L94-P115 VanDerWaalsContact CD2-CG 3.48Å; Y97-P115 HydrophobicContact CD1-CB 3.48Å; Y97-P115 VanDerWaalsContact CD1-CB 3.48Å; Y97-P115 HydrophobicContact CD1-CG 4.25Å; Y97-P115 HydrophobicContact CD2-CB 3.83Å; Y97-P115 HydrophobicContact CE1-CB 3.68Å; Y97-P115 HydrophobicContact CE1-CG 4.3Å; Y97-P115 HydrophobicContact CE2-CB 4.03Å; Y97-P115 HydrophobicContact CG-CB 3.53Å; W98-P115 HydrophobicContact CZ2-CG 4.38Å; P115-S250 VanDerWaalsContact CG-CB 3.41Å; P115-S250 VanDerWaalsContact CG-OG 3.3Å; P115-S250 WeakPolarHBondContact CG-OG 3.36Å
116	Y	90.1	Very high	60.6	Low	2 Å²	2	82 Å²	82	1%	0.008	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-86.7	143.8	-176.3	-65.3	-68.6	0	0	0	111.1	C83 R85 E90 L94 Y114 R251	C83-Y116 HydrophobicContact CB-CD1 4.21Å; C83-Y116 HydrophobicContact CB-CE1 4.46Å; C83-Y116 CarbonylContact O-C 3.48Å; C83-Y116 VanDerWaalsContact O-CA 3.25Å; C83-Y116 WeakPolarHBondContact O-CA 3.3Å; R85-Y116 HydrophobicContact CG-CD1 3.73Å; R85-Y116 HydrophobicContact CG-CD2 4.48Å; R85-Y116 HydrophobicContact CG-CE1 3.8Å; R85-Y116 HydrophobicContact CG-CG 4.1Å; E90-Y116 HydrophobicContact CG-CE1 4.39Å; E90-Y116 PolarHBondContact OE1-OH 2.81Å; L94-Y116 HydrophobicContact CD1-CE1 4.45Å; L94-Y116 WeakPolarHBondContact CD1-OH 3.35Å; L94-Y116 HydrophobicContact CD2-CE1 3.97Å; Y114-Y116 VanDerWaalsContact C-N 3.32Å; Y114-Y116 WeakPolarHBondContact CD2-O 3.28Å; Y114-Y116 WeakPolarHBondContact CE2-O 3.43Å; Y114-Y116 PolarHBondContact O-N 2.99Å; Y116-R251 HydrophobicContact CE2-CG 3.71Å
117	E	85.9	Confident	60.7	Low	47 Å²	47	83.8 Å²	83.8	22%	0.22	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-57.2	141	170.4	-66.3	173.8	-157.1	0	0	110.6	Q82 C83 K84 V119	Q82-E117 HydrophobicContact CB-CB 4.46Å; Q82-E117 HydrophobicContact CB-CG 3.46Å; Q82-E117 VanDerWaalsContact CB-CG 3.46Å; Q82-E117 HydrophobicContact CG-CG 4.4Å; C83-E117 PolarHBondContact O-N 3.26Å; K84-E117 WeakPolarHBondContact CE-OE1 3.43Å; K84-E117 WeakPolarHBondContact CE-OE2 3.36Å; K84-E117 HydrophobicContact CG-CG 4.49Å; K84-E117 WeakPolarHBondContact CG-OE1 3.48Å; K84-E117 IonicContact NZ-OE1 3.96Å; K84-E117 IonicContact NZ-OE2 3.91Å; E117-V119 PolarHBondContact O-N 3.23Å
118	T	73	Confident	60.9	Low	72 Å²	72	82.4 Å²	82.4	44%	0.442	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-66.1	118.2	169.3	46.8	0	0	0	0	108	Y114 Q120	Y114-T118 VanDerWaalsContact OH-CG2 3.22Å; Y114-T118 WeakPolarHBondContact OH-CG2 3.49Å; T118-Q120 PolarHBondContact O-N 2.92Å
119	V	65.5	Low	60.5	Low	68 Å²	68	81 Å²	81	41%	0.412	42%	0.421	S	S	.	.			trans	-74.9	86.9	170	-172.9	0	0	0	0	107.1	E117 R121 Y123 L279	E117-V119 PolarHBondContact O-N 3.23Å; V119-R121 HydrophobicContact CG1-CB 4.22Å; V119-R121 HydrophobicContact CG1-CG 4.11Å; V119-R121 PolarHBondContact O-N 3.16Å; V119-Y123 WeakPolarHBondContact CB-OH 3.37Å; V119-Y123 HydrophobicContact CG1-CE2 4.38Å; V119-Y123 VanDerWaalsContact CG1-OH 3.24Å; V119-Y123 WeakPolarHBondContact CG1-OH 3.43Å; V119-L279 HydrophobicContact CB-CD2 4.19Å; V119-L279 HydrophobicContact CG2-CD2 3.9Å
120	Q	52.9	Low	60.3	Low	181 Å²	181	78.2 Å²	78.2	85%	0.846	41%	0.414	S	S	*	.			trans	-74.4	58.2	165.4	-80.5	170.4	-41.5	0	0	109.1	T118	T118-Q120 PolarHBondContact O-N 2.92Å
121	R	52.5	Low	60	Low	172 Å²	172	78.8 Å²	78.8	65%	0.649	42%	0.417	S	S	*	.			trans	-82.9	125.3	148.8	-78.1	-162.8	170.7	-170.4	-3.1	104.3	V119 Y123	V119-R121 HydrophobicContact CG1-CB 4.22Å; V119-R121 HydrophobicContact CG1-CG 4.11Å; V119-R121 PolarHBondContact O-N 3.16Å; R121-Y123 HydrophobicContact CB-CD2 4.46Å; R121-Y123 HydrophobicContact CB-CE2 4.39Å; R121-Y123 WeakPolarHBondContact O-CD2 3.35Å; R121-Y123 PolarHBondContact O-N 3.44Å
122	D	50.6	Low	59.6	Low	141 Å²	141	75.1 Å²	75.1	75%	0.754	40%	0.395	S	S	*	.			trans	-50.1	104.2	147	-104.7	-29.3	0	0	0	103.8	D124	D122-D124 PolarHBondContact O-N 3.23Å
123	Y	52.4	Low	59.1	Low	39 Å²	39	73.8 Å²	73.8	15%	0.153	40%	0.404	C	S	.	.			trans	-74.2	57.1	171.7	-74.1	-86.6	0	0	0	106.2	V119 R121 Y125 A197 L279	V119-Y123 WeakPolarHBondContact CB-OH 3.37Å; V119-Y123 HydrophobicContact CG1-CE2 4.38Å; V119-Y123 VanDerWaalsContact CG1-OH 3.24Å; V119-Y123 WeakPolarHBondContact CG1-OH 3.43Å; R121-Y123 HydrophobicContact CB-CD2 4.46Å; R121-Y123 HydrophobicContact CB-CE2 4.39Å; R121-Y123 WeakPolarHBondContact O-CD2 3.35Å; R121-Y123 PolarHBondContact O-N 3.44Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.08Å; Y123-Y125 PolarHBondContact O-N 3.19Å; Y123-A197 HydrophobicContact CE1-CB 4.26Å; Y123-L279 WeakPolarHBondContact OH-CD2 3.18Å
124	D	49.1	Very low	57.6	Low	120 Å²	120	78.2 Å²	78.2	64%	0.642	42%	0.423	S	S	*	.			trans	-62.6	91.3	152.4	-75.3	-22.4	0	0	0	103.1	D122 V126	D122-D124 PolarHBondContact O-N 3.23Å; D124-V126 PolarHBondContact O-N 3.17Å
125	Y	52.7	Low	55.6	Low	51 Å²	51	80.9 Å²	80.9	20%	0.2	45%	0.446	C	S	.	.			trans	-57.9	87.3	171.5	-78	-80	0	0	0	106.8	Y123 R127 H201 F337	Y123-Y125 WeakPolarHBondContact O-CD2 3.08Å; Y123-Y125 PolarHBondContact O-N 3.19Å; Y125-R127 PolarHBondContact O-N 2.95Å; Y125-H201 HydrophobicContact CE1-CB 4.33Å; Y125-H201 AromaticContact CE1-ND1 3.51Å; Y125-H201 AromaticContact CZ-ND1 3.61Å; Y125-H201 PolarHBondContact OH-CE1 2.86Å; Y125-H201 PolarHBondContact OH-ND1 3.35Å; Y125-F337 HydrophobicContact CD1-CD2 4.48Å; Y125-F337 AromaticContact CD1-CE2 3.81Å; Y125-F337 HydrophobicContact CD1-CE2 3.81Å; Y125-F337 AromaticContact CE1-CD2 4Å; Y125-F337 HydrophobicContact CE1-CD2 4Å; Y125-F337 AromaticContact CE1-CE2 3.45Å; Y125-F337 HydrophobicContact CE1-CE2 3.45Å; Y125-F337 VanDerWaalsContact CE1-CE2 3.45Å; Y125-F337 HydrophobicContact CE2-CD2 4.11Å; Y125-F337 HydrophobicContact CE2-CE2 4.34Å; Y125-F337 HydrophobicContact CG-CE2 4.38Å; Y125-F337 AromaticContact CZ-CD2 3.76Å; Y125-F337 AromaticContact CZ-CE2 3.72Å
126	V	47	Very low	53.2	Low	115 Å²	115	88.1 Å²	88.1	70%	0.697	49%	0.485	S	S	*	.			trans	-71.7	92.1	172.7	179.2	0	0	0	0	105	D124 L128	D124-V126 PolarHBondContact O-N 3.17Å; V126-L128 PolarHBondContact O-N 2.04Å
127	R	53.9	Low	51.1	Low	48 Å²	48	95.2 Å²	95.2	18%	0.181	53%	0.528	C	S	.	.			trans	-56	133.6	-169.5	-168.3	-179	167.1	149.3	-2.9	111.4	Y125 A129 E340 S341 Q344	Y125-R127 PolarHBondContact O-N 2.95Å; R127-A129 HydrophobicContact CB-CB 4.49Å; R127-A129 HydrophobicContact CG-CB 3.83Å; R127-A129 PolarHBondContact O-N 3.28Å; R127-E340 PolarHBondContact NH1-O 2.98Å; R127-S341 PolarHBondContact NH1-O 2.94Å; R127-S341 PolarHBondContact NH2-O 2.03Å; R127-Q344 VanDerWaalsContact CD-CD 3.48Å; R127-Q344 VanDerWaalsContact CZ-CD 3.5Å; R127-Q344 VanDerWaalsContact NH1-CG 3.29Å
128	L	53.5	Low	48.9	Very low	30 Å²	30	95.3 Å²	95.3	16%	0.157	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-68.7	14.7	174.8	-76.5	153.8	0	0	0	114.4	V126 S130 I131 D198 Y199	V126-L128 PolarHBondContact O-N 2.04Å; L128-S130 PolarHBondContact O-N 2.96Å; L128-S130 VanDerWaalsContact O-N 3.07Å; L128-I131 HydrophobicContact CD2-CD1 3.93Å; L128-I131 PolarHBondContact O-N 3.14Å; L128-D198 VanDerWaalsContact CD1-C 3.44Å; L128-D198 HydrophobicContact CD1-CB 3.61Å; L128-D198 WeakPolarHBondContact CD1-O 3.43Å; L128-D198 HydrophobicContact CG-CB 4.15Å; L128-Y199 HydrophobicContact CD1-CD1 3.39Å; L128-Y199 HydrophobicContact CD1-CD2 4.18Å; L128-Y199 HydrophobicContact CD1-CE1 3.51Å; L128-Y199 HydrophobicContact CD1-CE2 4.29Å; L128-Y199 HydrophobicContact CD1-CG 3.74Å; L128-Y199 HydrophobicContact CD2-CD1 4.28Å; L128-Y199 HydrophobicContact CD2-CE1 3.49Å; L128-Y199 VanDerWaalsContact CD2-CE1 3.49Å; L128-Y199 HydrophobicContact CD2-CE2 4.16Å; L128-Y199 VanDerWaalsContact CD2-CZ 3.42Å; L128-Y199 WeakPolarHBondContact CD2-OH 2.88Å; L128-Y199 HydrophobicContact CG-CD1 4.46Å; L128-Y199 HydrophobicContact CG-CE1 4.12Å
129	A	43.7	Very low	47.4	Very low	42 Å²	42	101.6 Å²	101.6	35%	0.347	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-66.3	-8.7	-176.9	0	0	0	0	0	114.3	R127	R127-A129 HydrophobicContact CB-CB 4.49Å; R127-A129 HydrophobicContact CG-CB 3.83Å; R127-A129 PolarHBondContact O-N 3.28Å
130	S	43.5	Very low	46.7	Very low	105 Å²	105	103.8 Å²	103.8	73%	0.734	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-81.1	-7.5	178.4	43.4	0	0	0	0	114.7	L128	L128-S130 PolarHBondContact O-N 2.96Å; L128-S130 VanDerWaalsContact O-N 3.07Å
131	I	45.7	Very low	46.8	Very low	76 Å²	76	100.8 Å²	100.8	39%	0.39	58%	0.576	S	S	.	*	S	Bend	trans	-97.8	-20.4	-174.5	-56	178.6	0	0	0	113	L128 V154	L128-I131 HydrophobicContact CD2-CD1 3.93Å; L128-I131 PolarHBondContact O-N 3.14Å; I131-V154 HydrophobicContact CG2-CG1 4.11Å
132	T	42.9	Very low	47.7	Very low	50 Å²	50	96.7 Å²	96.7	31%	0.307	57%	0.57	S	S	.	*	S	Bend	trans	-113.3	13.1	-175.7	39.4	0	0	0	0	115.3	D134	T132-D134 PolarHBondContact O-N 2.93Å
133	A	42.6	Very low	49.3	Very low	93 Å²	93	91.7 Å²	91.7	77%	0.769	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	27.5	178.1	0	0	0	0	0	114.9
134	D	40	Very low	51.1	Low	160 Å²	160	92.4 Å²	92.4	86%	0.856	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	8.8	179.4	-154	35.1	0	0	0	113.9	T132 D136	T132-D134 PolarHBondContact O-N 2.93Å; D134-D136 PolarHBondContact O-N 2.91Å
135	S	41.7	Very low	53.1	Low	86 Å²	86	86.9 Å²	86.9	60%	0.601	52%	0.516	S	S	*	.	S	Bend	trans	-101.6	87.3	172.6	65.6	0	0	0	0	111.8
136	D	38.8	Very low	55	Low	153 Å²	153	87.4 Å²	87.4	82%	0.818	52%	0.522	S	S	*	.			trans	45.4	133.7	136.9	-143	4.3	0	0	0	120.6	D134 G138	D134-D136 PolarHBondContact O-N 2.91Å; D136-G138 PolarHBondContact O-N 2.98Å
137	V	45.7	Very low	57.1	Low	151 Å²	151	83.5 Å²	83.5	92%	0.915	50%	0.498	S	S	*	.	S	Bend	trans	-68.9	95.8	-176.9	177.7	0	0	0	0	109.4
138	G	38.8	Very low	58.9	Low	49 Å²	49	81.6 Å²	81.6	51%	0.505	49%	0.492	S	S	.	.			trans	-163.1	123.4	173.9	0	0	0	0	0	111.8	D136 T140	D136-G138 PolarHBondContact O-N 2.98Å; G138-T140 PolarHBondContact O-N 3.33Å; G138-T140 PolarHBondContact O-OG1 3.35Å
139	M	41.9	Very low	60.9	Low	203 Å²	203	80.5 Å²	80.5	100%	1	49%	0.487	S	S	*	.			trans	-63	64.6	178.6	-168.4	162.1	84.8	0	0	112.2
140	T	49.8	Very low	63.2	Low	114 Å²	114	82.7 Å²	82.7	70%	0.699	49%	0.489	S	S	*	.			trans	-97.6	139	171.2	55.3	0	0	0	0	108.4	G138 V142	G138-T140 PolarHBondContact O-N 3.33Å; G138-T140 PolarHBondContact O-OG1 3.35Å; T140-V142 PolarHBondContact O-N 3.42Å
141	T	57	Low	65.6	Low	119 Å²	119	78 Å²	78	73%	0.73	46%	0.457	S	S	*	.			trans	-57.6	111.3	174.9	42.3	0	0	0	0	109.1	N143	T141-N143 PolarHBondContact O-N 3.31Å
142	V	70.7	Confident	68	Low	86 Å²	86	74.4 Å²	74.4	52%	0.521	44%	0.438	S	S	.	.			trans	-71.6	102.5	-173.1	-177	0	0	0	0	109.5	T140 R144 D147	T140-V142 PolarHBondContact O-N 3.42Å; V142-R144 PolarHBondContact O-N 2.71Å; V142-D147 WeakPolarHBondContact CG1-OD2 3.45Å
143	N	84.9	Confident	70.5	Confident	35 Å²	35	75.6 Å²	75.6	19%	0.187	44%	0.443	C	S	.	.			trans	-78.7	97.2	175.5	-173.6	-44	0	0	0	110	T141 C145 L146 D147	T141-N143 PolarHBondContact O-N 3.31Å; N143-C145 VanDerWaalsContact C-N 3.26Å; N143-C145 PolarHBondContact O-N 3.22Å; N143-C145 WeakPolarHBondContact OD1-CB 3.22Å; N143-C145 PolarHBondContact OD1-N 3.03Å; N143-L146 HydrophobicContact CB-CB 3.98Å; N143-L146 WeakPolarHBondContact O-CA 3.4Å; N143-L146 WeakPolarHBondContact O-CB 3.41Å; N143-L146 PolarHBondContact O-N 3.22Å; N143-L146 PolarHBondContact OD1-N 2.81Å; N143-D147 PolarHBondContact O-N 3.12Å; N143-D147 VanDerWaalsContact O-N 3.13Å
144	R	88.3	Confident	73	Confident	55 Å²	55	75.7 Å²	75.7	21%	0.208	43%	0.433	C	S	.	.	H	α-helix	trans	-58.2	-34.6	-177.5	-63.3	-61.8	-169.3	-177.5	3.7	113.5	V142 L146 D147 A148 C206 P207 S341	V142-R144 PolarHBondContact O-N 2.71Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 2.73Å; R144-D147 PolarHBondContact O-N 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.34Å; R144-A148 PolarHBondContact O-N 2.94Å; R144-C206 HydrophobicContact CB-CB 4.22Å; R144-P207 HydrophobicContact CB-CG 4.25Å; R144-P207 HydrophobicContact CG-CG 3.99Å; R144-S341 PolarHBondContact NH2-O 3.03Å
145	C	92.3	Very high	75.7	Confident	3 Å²	3	70 Å²	70	2%	0.02	40%	0.403	C	S	.	.	H	α-helix	trans	-66.8	-31.8	175.6	-57.4	0	0	0	0	112.6	N143 A149 C206 C208 C213 R216	N143-C145 VanDerWaalsContact C-N 3.26Å; N143-C145 PolarHBondContact O-N 3.22Å; N143-C145 WeakPolarHBondContact OD1-CB 3.22Å; N143-C145 PolarHBondContact OD1-N 3.03Å; C145-A149 WeakPolarHBondContact O-CB 3.29Å; C145-A149 PolarHBondContact O-N 3.45Å; C145-A149 VanDerWaalsContact O-N 3.15Å; C145-C206 WeakPolarHBondContact CA-SG 3.42Å; C145-C206 HydrophobicContact CB-CB 3.89Å; C145-C206 WeakPolarHBondContact CB-SG 3.29Å; C145-C206 WeakPolarHBondContact SG-CB 3.3Å; C145-C206 CovalentContact SG-SG 2.01Å; C145-C206 PolarHBondContact SG-SG 3.31Å; C145-C208 PolarHBondContact SG-SG 3.39Å; C145-C213 PolarHBondContact SG-SG 3.09Å; C145-R216 HydrophobicContact CB-CG 4.04Å
146	L	92	Very high	78.3	Confident	62 Å²	62	72.2 Å²	72.2	33%	0.325	41%	0.408	S	S	.	.	H	α-helix	trans	-70.6	-41.5	173.6	-179.6	62.6	0	0	0	110.9	N143 R144 A149 K150	N143-L146 HydrophobicContact CB-CB 3.98Å; N143-L146 WeakPolarHBondContact O-CA 3.4Å; N143-L146 WeakPolarHBondContact O-CB 3.41Å; N143-L146 PolarHBondContact O-N 3.22Å; N143-L146 PolarHBondContact OD1-N 2.81Å; R144-L146 VanDerWaalsContact C-N 3.3Å; R144-L146 PolarHBondContact O-N 2.73Å; L146-A149 WeakPolarHBondContact O-CB 3.4Å; L146-A149 PolarHBondContact O-N 3.26Å; L146-K150 WeakPolarHBondContact O-CG 3.35Å; L146-K150 PolarHBondContact O-N 3.31Å
147	D	91	Very high	81.1	Confident	34 Å²	34	68.7 Å²	68.7	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-42.6	177.6	-63	-26	0	0	0	111.7	V142 N143 R144 A149 K150 A151	V142-D147 WeakPolarHBondContact CG1-OD2 3.45Å; N143-D147 PolarHBondContact O-N 3.12Å; N143-D147 VanDerWaalsContact O-N 3.13Å; R144-D147 PolarHBondContact O-N 3.29Å; D147-A149 VanDerWaalsContact C-N 3.27Å; D147-A149 PolarHBondContact O-N 3.39Å; D147-K150 WeakPolarHBondContact O-CB 3.11Å; D147-K150 PolarHBondContact O-N 2.87Å; D147-K150 VanDerWaalsContact O-N 3.08Å; D147-K150 IonicContact OD1-NZ 3.88Å; D147-A151 PolarHBondContact O-N 3.35Å
148	A	92.4	Very high	83.6	Confident	8 Å²	8	61.5 Å²	61.5	7%	0.066	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-40.9	172	0	0	0	0	0	111.9	R144 A151 C152 E202 L203	R144-A148 WeakPolarHBondContact O-CB 3.34Å; R144-A148 PolarHBondContact O-N 2.94Å; A148-A151 PolarHBondContact O-N 3.12Å; A148-C152 WeakPolarHBondContact O-CB 3.12Å; A148-C152 PolarHBondContact O-N 3.43Å; A148-E202 VanDerWaalsContact CB-C 3.49Å; A148-E202 HydrophobicContact CB-CB 3.76Å; A148-E202 WeakPolarHBondContact CB-O 3.39Å; A148-L203 HydrophobicContact CB-CD2 4.11Å; A148-L203 HydrophobicContact CB-CG 4.33Å
149	A	94.4	Very high	86.5	Confident	6 Å²	6	63.1 Å²	63.1	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-36.5	175	0	0	0	0	0	112.9	C145 L146 D147 N153 R162 L203	C145-A149 WeakPolarHBondContact O-CB 3.29Å; C145-A149 PolarHBondContact O-N 3.45Å; C145-A149 VanDerWaalsContact O-N 3.15Å; L146-A149 WeakPolarHBondContact O-CB 3.4Å; L146-A149 PolarHBondContact O-N 3.26Å; D147-A149 VanDerWaalsContact C-N 3.27Å; D147-A149 PolarHBondContact O-N 3.39Å; A149-N153 WeakPolarHBondContact O-CB 3.36Å; A149-N153 PolarHBondContact O-N 3.29Å; A149-N153 PolarHBondContact O-ND2 3.48Å; A149-N153 PolarHBondContact O-OD1 2.8Å; A149-R162 PolarHBondContact O-NH1 3.05Å; A149-R162 VanDerWaalsContact O-NH1 3.1Å; A149-L203 HydrophobicContact CB-CD2 4.17Å
150	K	93.7	Very high	89.2	Confident	88 Å²	88	60.2 Å²	60.2	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-47.7	173.8	-70.2	172.6	-178.4	170.2	0	110.9	L146 D147 C152 N153 V154	L146-K150 WeakPolarHBondContact O-CG 3.35Å; L146-K150 PolarHBondContact O-N 3.31Å; D147-K150 WeakPolarHBondContact O-CB 3.11Å; D147-K150 PolarHBondContact O-N 2.87Å; D147-K150 VanDerWaalsContact O-N 3.08Å; D147-K150 IonicContact OD1-NZ 3.88Å; K150-C152 PolarHBondContact O-N 2.93Å; K150-N153 WeakPolarHBondContact O-CA 3.5Å; K150-N153 WeakPolarHBondContact O-CB 3.5Å; K150-N153 PolarHBondContact O-N 2.87Å; K150-V154 PolarHBondContact O-N 2.71Å
151	A	93.1	Very high	91.5	Very high	7 Å²	7	55 Å²	55	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-46.2	178.7	0	0	0	0	0	111.9	D147 A148 N153 V154 D155 Y199	D147-A151 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 3.12Å; A151-N153 VanDerWaalsContact C-N 3.25Å; A151-N153 PolarHBondContact O-N 2.92Å; A151-V154 PolarHBondContact O-N 3.47Å; A151-D155 PolarHBondContact O-N 2.75Å; A151-Y199 HydrophobicContact CB-CD1 4.46Å; A151-Y199 HydrophobicContact CB-CE1 4.31Å
152	C	96	Very high	93.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-30	174.6	-180	0	0	0	0	113.4	A148 K150 V154 C158 Q159 Y199 L203	A148-C152 WeakPolarHBondContact O-CB 3.12Å; A148-C152 PolarHBondContact O-N 3.43Å; K150-C152 PolarHBondContact O-N 2.93Å; C152-V154 VanDerWaalsContact C-N 3.29Å; C152-C158 VanDerWaalsContact CA-SG 3.59Å; C152-C158 HydrophobicContact CB-CB 4.02Å; C152-C158 WeakPolarHBondContact CB-SG 3.27Å; C152-C158 WeakPolarHBondContact O-CB 3.42Å; C152-C158 VanDerWaalsContact SG-C 3.5Å; C152-C158 WeakPolarHBondContact SG-CB 3.44Å; C152-C158 CovalentContact SG-SG 2.03Å; C152-C158 PolarHBondContact SG-SG 2.89Å; C152-Q159 WeakPolarHBondContact O-CA 3.09Å; C152-Q159 WeakPolarHBondContact O-CB 3.17Å; C152-Q159 PolarHBondContact O-N 3.27Å; C152-Y199 HydrophobicContact CB-CD1 4.45Å; C152-L203 HydrophobicContact CB-CD1 4.02Å; C152-L203 HydrophobicContact CB-CD2 4.47Å
153	N	95.4	Very high	94.7	Very high	75 Å²	75	51.8 Å²	51.8	40%	0.401	26%	0.264	S	S	.	.	H	α-helix	trans	-75.8	-18.8	178.7	-74.3	-9.7	0	0	0	113.2	A149 K150 A151 Q159 R162	A149-N153 WeakPolarHBondContact O-CB 3.36Å; A149-N153 PolarHBondContact O-N 3.29Å; A149-N153 PolarHBondContact O-ND2 3.48Å; A149-N153 PolarHBondContact O-OD1 2.8Å; K150-N153 WeakPolarHBondContact O-CA 3.5Å; K150-N153 WeakPolarHBondContact O-CB 3.5Å; K150-N153 PolarHBondContact O-N 2.87Å; A151-N153 VanDerWaalsContact C-N 3.25Å; A151-N153 PolarHBondContact O-N 2.92Å; N153-Q159 PolarHBondContact O-NE2 3.02Å; N153-R162 PolarHBondContact OD1-NH1 3.24Å
154	V	95	Very high	95.3	Very high	95 Å²	95	53.1 Å²	53.1	58%	0.576	27%	0.269	S	S	*	.	H	α-helix	trans	-85.3	-31.2	174.9	176.6	0	0	0	0	111.1	I131 K150 A151 C152	I131-V154 HydrophobicContact CG2-CG1 4.11Å; K150-V154 PolarHBondContact O-N 2.71Å; A151-V154 PolarHBondContact O-N 3.47Å; C152-V154 VanDerWaalsContact C-N 3.29Å
155	D	96.3	Very high	95.8	Very high	41 Å²	41	50.8 Å²	50.8	22%	0.219	26%	0.261	C	S	.	.	S	Bend	trans	-79.3	118.4	175.8	-177.3	-89	0	0	0	111.8	A151 L157 C158 Q159 Y199	A151-D155 PolarHBondContact O-N 2.75Å; D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 2.91Å; D155-L157 PolarHBondContact OD1-N 3.08Å; D155-C158 HydrophobicContact CB-CB 3.91Å; D155-C158 PolarHBondContact O-N 3.44Å; D155-C158 WeakPolarHBondContact OD1-CB 3.25Å; D155-C158 PolarHBondContact OD1-N 3Å; D155-Q159 VanDerWaalsContact O-CB 3.27Å; D155-Q159 WeakPolarHBondContact O-CB 3.19Å; D155-Q159 PolarHBondContact O-N 3.48Å; D155-Y199 HydrophobicContact CB-CE1 3.87Å; D155-Y199 HydrophobicContact CB-CE2 4.04Å; D155-Y199 WeakPolarHBondContact CB-OH 3.4Å; D155-Y199 PolarHBondContact OD2-OH 3.05Å
156	D	97.5	Very high	96	Very high	133 Å²	133	52.8 Å²	52.8	71%	0.711	27%	0.273	S	S	*	.	H	α-helix	trans	-55.5	-41.3	-175.9	-72.9	-24.9	0	0	0	113.3	K160	D156-K160 WeakPolarHBondContact O-CB 3.36Å; D156-K160 PolarHBondContact O-N 2.73Å; D156-K160 VanDerWaalsContact O-N 3.09Å
157	L	97.8	Very high	96.2	Very high	78 Å²	78	53.1 Å²	53.1	41%	0.408	28%	0.28	S	S	.	.	H	α-helix	trans	-71.9	-46.4	-178	178.6	63.1	0	0	0	110.7	D155 L161	D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 2.91Å; D155-L157 PolarHBondContact OD1-N 3.08Å; L157-L161 HydrophobicContact CD1-CD1 3.69Å; L157-L161 HydrophobicContact CD1-CG 4.09Å; L157-L161 HydrophobicContact CG-CD1 4.18Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 WeakPolarHBondContact O-CG 3.22Å; L157-L161 PolarHBondContact O-N 3.29Å
158	C	98.2	Very high	96.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-51.6	178.6	-164.7	0	0	0	0	110.8	C152 D155 K160 L161 R162 V195 Y199	C152-C158 VanDerWaalsContact CA-SG 3.59Å; C152-C158 HydrophobicContact CB-CB 4.02Å; C152-C158 WeakPolarHBondContact CB-SG 3.27Å; C152-C158 WeakPolarHBondContact O-CB 3.42Å; C152-C158 VanDerWaalsContact SG-C 3.5Å; C152-C158 WeakPolarHBondContact SG-CB 3.44Å; C152-C158 CovalentContact SG-SG 2.03Å; C152-C158 PolarHBondContact SG-SG 2.89Å; D155-C158 HydrophobicContact CB-CB 3.91Å; D155-C158 PolarHBondContact O-N 3.44Å; D155-C158 WeakPolarHBondContact OD1-CB 3.25Å; D155-C158 PolarHBondContact OD1-N 3Å; C158-K160 VanDerWaalsContact C-N 3.35Å; C158-K160 PolarHBondContact O-N 3.04Å; C158-L161 PolarHBondContact O-N 3.47Å; C158-R162 WeakPolarHBondContact O-CB 3.46Å; C158-R162 PolarHBondContact O-N 3.49Å; C158-V195 HydrophobicContact CB-CG1 3.91Å; C158-Y199 HydrophobicContact CB-CG 4.37Å
159	Q	98.3	Very high	96.5	Very high	84 Å²	84	51.5 Å²	51.5	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-47.4	179.4	-171	-163.2	48.5	0	0	111.4	C152 N153 D155 R162 T163	C152-Q159 WeakPolarHBondContact O-CA 3.09Å; C152-Q159 WeakPolarHBondContact O-CB 3.17Å; C152-Q159 PolarHBondContact O-N 3.27Å; N153-Q159 PolarHBondContact O-NE2 3.02Å; D155-Q159 VanDerWaalsContact O-CB 3.27Å; D155-Q159 WeakPolarHBondContact O-CB 3.19Å; D155-Q159 PolarHBondContact O-N 3.48Å; Q159-R162 PolarHBondContact O-N 3.25Å; Q159-T163 WeakPolarHBondContact O-CB 3.49Å; Q159-T163 PolarHBondContact O-N 2.91Å; Q159-T163 PolarHBondContact O-OG1 2.92Å
160	K	98.6	Very high	96.3	Very high	142 Å²	142	56.5 Å²	56.5	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-52.2	179.8	178.2	177.8	-179.4	172.4	0	112	D156 C158 R162 T163 E164	D156-K160 WeakPolarHBondContact O-CB 3.36Å; D156-K160 PolarHBondContact O-N 2.73Å; D156-K160 VanDerWaalsContact O-N 3.09Å; C158-K160 VanDerWaalsContact C-N 3.35Å; C158-K160 PolarHBondContact O-N 3.04Å; K160-R162 VanDerWaalsContact C-N 3.31Å; K160-R162 PolarHBondContact O-N 3.37Å; K160-T163 PolarHBondContact O-N 2.93Å; K160-E164 PolarHBondContact O-N 2.88Å
161	L	98.5	Very high	95.7	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-30.6	-178.2	-67.7	-179.4	0	0	0	112	L157 C158 E164 Y165 R190 F191 R194 V195	L157-L161 HydrophobicContact CD1-CD1 3.69Å; L157-L161 HydrophobicContact CD1-CG 4.09Å; L157-L161 HydrophobicContact CG-CD1 4.18Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 WeakPolarHBondContact O-CG 3.22Å; L157-L161 PolarHBondContact O-N 3.29Å; C158-L161 PolarHBondContact O-N 3.47Å; L161-E164 WeakPolarHBondContact CD2-OE2 3.38Å; L161-E164 PolarHBondContact O-N 2.89Å; L161-Y165 VanDerWaalsContact O-CD1 3.32Å; L161-Y165 WeakPolarHBondContact O-CD1 3.35Å; L161-Y165 PolarHBondContact O-N 2.95Å; L161-R190 HydrophobicContact CD2-CG 4.24Å; L161-F191 HydrophobicContact CB-CD2 3.78Å; L161-R194 HydrophobicContact CD1-CB 3.6Å; L161-R194 HydrophobicContact CD1-CG 4.48Å; L161-V195 HydrophobicContact CB-CG2 4.05Å; L161-V195 HydrophobicContact CD1-CG2 3.71Å; L161-V195 HydrophobicContact CG-CG2 4.45Å
162	R	98.2	Very high	94.8	Very high	50 Å²	50	63.2 Å²	63.2	19%	0.189	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-51.2	171.8	-174.5	-177.7	-175.5	-168.8	8.4	111.3	A149 N153 C158 Q159 K160 E164 Y165 V166 F191	A149-R162 PolarHBondContact O-NH1 3.05Å; A149-R162 VanDerWaalsContact O-NH1 3.1Å; N153-R162 PolarHBondContact OD1-NH1 3.24Å; C158-R162 WeakPolarHBondContact O-CB 3.46Å; C158-R162 PolarHBondContact O-N 3.49Å; Q159-R162 PolarHBondContact O-N 3.25Å; K160-R162 VanDerWaalsContact C-N 3.31Å; K160-R162 PolarHBondContact O-N 3.37Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 3.21Å; R162-Y165 VanDerWaalsContact CA-CE1 3.43Å; R162-Y165 HydrophobicContact CB-CE1 4.01Å; R162-Y165 HydrophobicContact CG-CE1 3.8Å; R162-Y165 WeakPolarHBondContact O-CD1 3.48Å; R162-Y165 PolarHBondContact O-N 3.25Å; R162-V166 HydrophobicContact CG-CG2 4.36Å; R162-V166 WeakPolarHBondContact O-CB 3.46Å; R162-V166 VanDerWaalsContact O-CG2 3.22Å; R162-V166 WeakPolarHBondContact O-CG2 3.42Å; R162-V166 PolarHBondContact O-N 2.76Å; R162-F191 HydrophobicContact CB-CD2 4.47Å; R162-F191 HydrophobicContact CB-CE2 3.92Å
163	T	97.7	Very high	93.6	Very high	87 Å²	87	64.9 Å²	64.9	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-39.7	176.8	-55.6	0	0	0	0	111.5	Q159 K160 S167	Q159-T163 WeakPolarHBondContact O-CB 3.49Å; Q159-T163 PolarHBondContact O-N 2.91Å; Q159-T163 PolarHBondContact O-OG1 2.92Å; K160-T163 PolarHBondContact O-N 2.93Å; T163-S167 VanDerWaalsContact O-CB 3.3Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 3.36Å; T163-S167 PolarHBondContact O-OG 3.48Å
164	E	97.8	Very high	92.1	Very high	63 Å²	63	66.8 Å²	66.8	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-50.2	176.2	-175.3	-178	155.3	0	0	112.3	K160 L161 R162 S167 A168 R190	K160-E164 PolarHBondContact O-N 2.88Å; L161-E164 WeakPolarHBondContact CD2-OE2 3.38Å; L161-E164 PolarHBondContact O-N 2.89Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 3.21Å; E164-S167 PolarHBondContact O-OG 2.95Å; E164-A168 WeakPolarHBondContact O-CB 3.27Å; E164-A168 PolarHBondContact O-N 3.34Å; E164-A168 VanDerWaalsContact O-N 3.12Å; E164-R190 IonicContact OE1-CZ 3.39Å; E164-R190 IonicContact OE1-NH1 3.36Å; E164-R190 PolarHBondContact OE1-NH1 3Å; E164-R190 IonicContact OE2-CZ 3.1Å; E164-R190 IonicContact OE2-NE 2.75Å; E164-R190 IonicContact OE2-NH1 3.74Å; E164-R190 PolarHBondContact OE2-NH1 3.42Å
165	Y	98.1	Very high	90.4	Very high	5 Å²	5	72.3 Å²	72.3	2%	0.02	39%	0.386	C	S	.	.	H	α-helix	trans	-72.2	-40.5	-178.9	83.8	-108.9	0	0	0	112.1	L161 R162 S167 A168 C169 L188 F191 T220 V222	L161-Y165 VanDerWaalsContact O-CD1 3.32Å; L161-Y165 WeakPolarHBondContact O-CD1 3.35Å; L161-Y165 PolarHBondContact O-N 2.95Å; R162-Y165 VanDerWaalsContact CA-CE1 3.43Å; R162-Y165 HydrophobicContact CB-CE1 4.01Å; R162-Y165 HydrophobicContact CG-CE1 3.8Å; R162-Y165 WeakPolarHBondContact O-CD1 3.48Å; R162-Y165 PolarHBondContact O-N 3.25Å; Y165-S167 VanDerWaalsContact C-N 3.34Å; Y165-S167 PolarHBondContact O-N 3.41Å; Y165-A168 WeakPolarHBondContact O-CB 3.39Å; Y165-A168 PolarHBondContact O-N 3.39Å; Y165-A168 VanDerWaalsContact O-N 3.14Å; Y165-C169 WeakPolarHBondContact O-CB 3.49Å; Y165-C169 PolarHBondContact O-N 3.07Å; Y165-C169 PolarHBondContact O-SG 2.96Å; Y165-L188 HydrophobicContact CD1-CD2 4.49Å; Y165-L188 HydrophobicContact CD2-CD2 3.54Å; Y165-L188 HydrophobicContact CD2-CG 4.27Å; Y165-L188 HydrophobicContact CE2-CD2 3.92Å; Y165-L188 HydrophobicContact CG-CD2 3.9Å; Y165-L188 HydrophobicContact CG-CG 4.48Å; Y165-F191 HydrophobicContact CD1-CB 3.75Å; Y165-F191 HydrophobicContact CD1-CD1 4.07Å; Y165-F191 AromaticContact CD1-CD2 3.73Å; Y165-F191 HydrophobicContact CD1-CD2 3.73Å; Y165-F191 HydrophobicContact CD1-CE2 4.35Å; Y165-F191 AromaticContact CD1-CG 3.58Å; Y165-F191 HydrophobicContact CD1-CG 3.58Å; Y165-F191 HydrophobicContact CE1-CB 4.34Å; Y165-F191 AromaticContact CE1-CD1 3.78Å; Y165-F191 HydrophobicContact CE1-CD1 3.78Å; Y165-F191 AromaticContact CE1-CD2 3.69Å; Y165-F191 HydrophobicContact CE1-CD2 3.69Å; Y165-F191 AromaticContact CE1-CE1 3.93Å; Y165-F191 HydrophobicContact CE1-CE1 3.93Å; Y165-F191 AromaticContact CE1-CE2 3.86Å; Y165-F191 HydrophobicContact CE1-CE2 3.86Å; Y165-F191 AromaticContact CE1-CG 3.66Å; Y165-F191 HydrophobicContact CE1-CG 3.66Å; Y165-F191 AromaticContact CE1-CZ 3.98Å; Y165-F191 HydrophobicContact CE1-CZ 3.98Å; Y165-T220 WeakPolarHBondContact CE2-O 3.24Å; Y165-T220 PolarHBondContact OH-O 2.76Å; Y165-V222 HydrophobicContact CE2-CG2 4.48Å
166	V	96.7	Very high	88.9	Confident	46 Å²	46	73.9 Å²	73.9	28%	0.279	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-47.4	179.3	170.9	0	0	0	0	110.2	R162 A168 C169 I170	R162-V166 HydrophobicContact CG-CG2 4.36Å; R162-V166 WeakPolarHBondContact O-CB 3.46Å; R162-V166 VanDerWaalsContact O-CG2 3.22Å; R162-V166 WeakPolarHBondContact O-CG2 3.42Å; R162-V166 PolarHBondContact O-N 2.76Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 2.76Å; V166-C169 PolarHBondContact O-N 3.4Å; V166-I170 HydrophobicContact CG1-CD1 3.51Å; V166-I170 HydrophobicContact CG1-CG1 4.34Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 3.3Å
167	S	95.1	Very high	87.3	Confident	68 Å²	68	70.5 Å²	70.5	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-34.5	177	64.9	0	0	0	0	112.9	T163 E164 Y165 C169 K171	T163-S167 VanDerWaalsContact O-CB 3.3Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 3.36Å; T163-S167 PolarHBondContact O-OG 3.48Å; E164-S167 PolarHBondContact O-OG 2.95Å; Y165-S167 VanDerWaalsContact C-N 3.34Å; Y165-S167 PolarHBondContact O-N 3.41Å; S167-C169 VanDerWaalsContact C-N 3.33Å; S167-K171 WeakPolarHBondContact O-CB 3.47Å; S167-K171 PolarHBondContact O-N 2.96Å
168	A	95.6	Very high	86.3	Confident	7 Å²	7	72.6 Å²	72.6	6%	0.058	41%	0.408	C	S	.	.	H	α-helix	trans	-68.7	-30.4	175.2	0	0	0	0	0	113.2	E164 Y165 V166 K183 A187	E164-A168 WeakPolarHBondContact O-CB 3.27Å; E164-A168 PolarHBondContact O-N 3.34Å; E164-A168 VanDerWaalsContact O-N 3.12Å; Y165-A168 WeakPolarHBondContact O-CB 3.39Å; Y165-A168 PolarHBondContact O-N 3.39Å; Y165-A168 VanDerWaalsContact O-N 3.14Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 2.76Å; A168-K183 HydrophobicContact CB-CG 4.23Å; A168-A187 HydrophobicContact CB-CB 3.98Å
169	C	94.9	Very high	85.9	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.014	42%	0.419	C	S	.	.	H	α-helix	trans	-88.9	-30.9	-177.8	-59.4	0	0	0	0	113.6	Y165 V166 S167 C179 C184 V222 C225	Y165-C169 WeakPolarHBondContact O-CB 3.49Å; Y165-C169 PolarHBondContact O-N 3.07Å; Y165-C169 PolarHBondContact O-SG 2.96Å; V166-C169 PolarHBondContact O-N 3.4Å; S167-C169 VanDerWaalsContact C-N 3.33Å; C169-C179 WeakPolarHBondContact O-CB 3.25Å; C169-C184 HydrophobicContact CB-CB 3.88Å; C169-C184 WeakPolarHBondContact CB-SG 3.35Å; C169-C184 VanDerWaalsContact SG-CA 3.58Å; C169-C184 WeakPolarHBondContact SG-CB 2.88Å; C169-C184 CovalentContact SG-SG 2.03Å; C169-C184 PolarHBondContact SG-SG 3.38Å; C169-V222 HydrophobicContact CB-CB 3.89Å; C169-V222 HydrophobicContact CB-CG1 3.95Å; C169-V222 HydrophobicContact CB-CG2 4.06Å; C169-C225 HydrophobicContact CB-CB 4.23Å; C169-C225 PolarHBondContact O-SG 3.01Å
170	I	91.1	Very high	85.6	Confident	110 Å²	110	73.4 Å²	73.4	56%	0.564	42%	0.417	S	S	*	.	H	α-helix	trans	-87.2	-28.8	-179	-62.3	174.7	0	0	0	112	V166 P172 V222	V166-I170 HydrophobicContact CG1-CD1 3.51Å; V166-I170 HydrophobicContact CG1-CG1 4.34Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 3.3Å; I170-P172 WeakPolarHBondContact O-CD 3.46Å; I170-P172 VanDerWaalsContact O-N 3.13Å; I170-V222 HydrophobicContact CG1-CG1 4.38Å
171	K	80.1	Confident	85.3	Confident	146 Å²	146	70.3 Å²	70.3	64%	0.635	40%	0.401	S	S	*	.	S	Bend	trans	-61.8	115.3	-175.1	-173.6	166.1	-176.3	167.1	0	111.5	S167	S167-K171 WeakPolarHBondContact O-CB 3.47Å; S167-K171 PolarHBondContact O-N 2.96Å
172	P	74.6	Confident	85.1	Confident	90 Å²	90	74.7 Å²	74.7	58%	0.584	43%	0.43	S	S	*	.	B	Isolated β-bridge	trans	-63.3	143.3	178.2	-19.9	32.2	0	0	0	110.8	I170	I170-P172 WeakPolarHBondContact O-CD 3.46Å; I170-P172 VanDerWaalsContact O-N 3.13Å
173	T	69.4	Low	84.9	Confident	35 Å²	35	78 Å²	78	22%	0.215	45%	0.446	C	S	.	.			trans	-79	135.6	169.2	62.4	0	0	0	0	109.8	K175 S176 G177 L178 N180	T173-K175 PolarHBondContact O-N 2.75Å; T173-S176 PolarHBondContact O-N 2.85Å; T173-S176 PolarHBondContact OG1-OG 3.47Å; T173-G177 PolarHBondContact O-N 2.92Å; T173-L178 VanDerWaalsContact CB-O 3.29Å; T173-L178 WeakPolarHBondContact CB-O 3.36Å; T173-L178 VanDerWaalsContact CG2-O 3.27Å; T173-L178 WeakPolarHBondContact CG2-O 3.29Å; T173-L178 PolarHBondContact N-O 3.06Å; T173-L178 PolarHBondContact OG1-O 2.94Å; T173-N180 HydrophobicContact CG2-CB 3.75Å
174	A	63.9	Low	84.9	Confident	116 Å²	116	73.9 Å²	73.9	96%	0.959	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.4	-178	0	0	0	0	0	114.7
175	K	61.2	Low	84.8	Confident	210 Å²	210	71.8 Å²	71.8	91%	0.913	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-24	-173.6	-68.6	-171.6	177.1	-174.7	0	114.9	T173	T173-K175 PolarHBondContact O-N 2.75Å
176	S	62.9	Low	84.7	Confident	75 Å²	75	78.5 Å²	78.5	52%	0.524	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-1.6	-174.6	61.1	0	0	0	0	114.7	T173 L178	T173-S176 PolarHBondContact O-N 2.85Å; T173-S176 PolarHBondContact OG1-OG 3.47Å; S176-L178 PolarHBondContact O-N 3.09Å
177	G	65.4	Low	84.7	Confident	61 Å²	61	76.7 Å²	76.7	63%	0.629	43%	0.431	S	S	*	.	S	Bend	trans	68.2	-11.9	-173.7	0	0	0	0	0	114.2	T173	T173-G177 PolarHBondContact O-N 2.92Å
178	L	77.1	Confident	84.9	Confident	122 Å²	122	73.5 Å²	73.5	64%	0.639	41%	0.408	S	S	*	.	S	Bend	trans	-82	156.4	175	-59.3	174.3	0	0	0	110.8	T173 S176	T173-L178 VanDerWaalsContact CB-O 3.29Å; T173-L178 WeakPolarHBondContact CB-O 3.36Å; T173-L178 VanDerWaalsContact CG2-O 3.27Å; T173-L178 WeakPolarHBondContact CG2-O 3.29Å; T173-L178 PolarHBondContact N-O 3.06Å; T173-L178 PolarHBondContact OG1-O 2.94Å; S176-L178 PolarHBondContact O-N 3.09Å
179	C	89.6	Confident	85	Confident	34 Å²	34	76.7 Å²	76.7	23%	0.23	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-67.8	160.1	177.1	75.6	0	0	0	0	112.9	C169 R181 C225	C169-C179 WeakPolarHBondContact O-CB 3.25Å; C179-R181 PolarHBondContact O-N 2.9Å; C179-R181 VanDerWaalsContact O-N 3.08Å; C179-C225 HydrophobicContact CB-CB 3.74Å; C179-C225 WeakPolarHBondContact CB-SG 3.42Å; C179-C225 WeakPolarHBondContact SG-CA 3.16Å; C179-C225 WeakPolarHBondContact SG-CB 3.02Å; C179-C225 CovalentContact SG-SG 2.01Å; C179-C225 PolarHBondContact SG-SG 3.22Å
180	N	91.5	Very high	85	Confident	67 Å²	67	82.4 Å²	82.4	36%	0.358	44%	0.44	S	S	.	.			trans	-82	82.1	170.6	-170.7	-34	0	0	0	110.4	T173 P182 K183 C184	T173-N180 HydrophobicContact CG2-CB 3.75Å; N180-P182 WeakPolarHBondContact OD1-CD 3.47Å; N180-K183 HydrophobicContact CB-CB 4.02Å; N180-K183 PolarHBondContact O-N 3.46Å; N180-K183 WeakPolarHBondContact OD1-CB 3.01Å; N180-K183 PolarHBondContact OD1-N 3.08Å; N180-K183 VanDerWaalsContact OD1-N 3.09Å; N180-C184 PolarHBondContact O-N 3.38Å
181	R	92.6	Very high	85.4	Confident	77 Å²	77	77.2 Å²	77.2	29%	0.291	41%	0.413	S	S	.	.	H	α-helix	trans	-54	-44.1	-177	-172.1	174.7	-172	129.6	-12.4	114	C179 K183 C184 N185 C225 S226 Y227 E228	C179-R181 PolarHBondContact O-N 2.9Å; C179-R181 VanDerWaalsContact O-N 3.08Å; R181-K183 VanDerWaalsContact C-N 3.33Å; R181-K183 PolarHBondContact O-N 2.96Å; R181-C184 PolarHBondContact O-N 3.4Å; R181-N185 VanDerWaalsContact O-CB 3.31Å; R181-N185 WeakPolarHBondContact O-CB 3.25Å; R181-N185 PolarHBondContact O-N 3.48Å; R181-C225 WeakPolarHBondContact CD-O 3.07Å; R181-C225 WeakPolarHBondContact CG-O 3.44Å; R181-C225 PolarHBondContact NH1-O 3.45Å; R181-S226 VanDerWaalsContact CZ-O 3.26Å; R181-S226 PolarHBondContact NH2-O 3.32Å; R181-Y227 PolarHBondContact NH1-O 3.18Å; R181-Y227 PolarHBondContact NH2-O 3.02Å; R181-E228 PolarHBondContact NH1-O 3.02Å
182	P	93.4	Very high	86.2	Confident	98 Å²	98	70.6 Å²	70.6	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-40	175.5	-26.4	35.1	0	0	0	113.8	N180 K186	N180-P182 WeakPolarHBondContact OD1-CD 3.47Å; P182-K186 WeakPolarHBondContact O-CB 3.22Å; P182-K186 PolarHBondContact O-N 3.18Å
183	K	94.8	Very high	87.2	Confident	120 Å²	120	67.9 Å²	67.9	52%	0.522	37%	0.365	S	S	.	.	H	α-helix	trans	-69.7	-44.6	177.3	-170.1	-178.3	178.1	-178.3	0	111.5	A168 N180 R181 K186 A187	A168-K183 HydrophobicContact CB-CG 4.23Å; N180-K183 HydrophobicContact CB-CB 4.02Å; N180-K183 PolarHBondContact O-N 3.46Å; N180-K183 WeakPolarHBondContact OD1-CB 3.01Å; N180-K183 PolarHBondContact OD1-N 3.08Å; N180-K183 VanDerWaalsContact OD1-N 3.09Å; R181-K183 VanDerWaalsContact C-N 3.33Å; R181-K183 PolarHBondContact O-N 2.96Å; K183-K186 PolarHBondContact O-N 3.15Å; K183-A187 PolarHBondContact O-N 3.12Å
184	C	96.6	Very high	88.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-52.6	173.5	172.6	0	0	0	0	111.2	C169 N180 R181 K186 A187 L188 C225	C169-C184 HydrophobicContact CB-CB 3.88Å; C169-C184 WeakPolarHBondContact CB-SG 3.35Å; C169-C184 VanDerWaalsContact SG-CA 3.58Å; C169-C184 WeakPolarHBondContact SG-CB 2.88Å; C169-C184 CovalentContact SG-SG 2.03Å; C169-C184 PolarHBondContact SG-SG 3.38Å; N180-C184 PolarHBondContact O-N 3.38Å; R181-C184 PolarHBondContact O-N 3.4Å; C184-K186 VanDerWaalsContact C-N 3.33Å; C184-K186 PolarHBondContact O-N 2.91Å; C184-A187 PolarHBondContact O-N 3.41Å; C184-A187 VanDerWaalsContact O-N 3.1Å; C184-L188 PolarHBondContact O-N 2.97Å; C184-C225 VanDerWaalsContact SG-SG 3.61Å
185	N	96.4	Very high	89.9	Confident	19 Å²	19	67.7 Å²	67.7	10%	0.102	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-38.1	179.1	-76.7	-0.7	0	0	0	112.9	R181 R189 G286	R181-N185 VanDerWaalsContact O-CB 3.31Å; R181-N185 WeakPolarHBondContact O-CB 3.25Å; R181-N185 PolarHBondContact O-N 3.48Å; N185-R189 WeakPolarHBondContact O-CG 3.43Å; N185-R189 PolarHBondContact O-N 3.05Å; N185-G286 WeakPolarHBondContact CB-O 3.43Å
186	K	95.6	Very high	91.4	Very high	146 Å²	146	60.2 Å²	60.2	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-42.3	174.5	-174.9	179.6	178.8	-178.2	0	111.9	P182 K183 C184 R190	P182-K186 WeakPolarHBondContact O-CB 3.22Å; P182-K186 PolarHBondContact O-N 3.18Å; K183-K186 PolarHBondContact O-N 3.15Å; C184-K186 VanDerWaalsContact C-N 3.33Å; C184-K186 PolarHBondContact O-N 2.91Å; K186-R190 PolarHBondContact O-N 2.88Å; K186-R190 VanDerWaalsContact O-N 3.16Å
187	A	97.5	Very high	92.7	Very high	8 Å²	8	57.5 Å²	57.5	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-39.6	178.5	0	0	0	0	0	112	A168 K183 C184 R190 F191	A168-A187 HydrophobicContact CB-CB 3.98Å; K183-A187 PolarHBondContact O-N 3.12Å; C184-A187 PolarHBondContact O-N 3.41Å; C184-A187 VanDerWaalsContact O-N 3.1Å; A187-R190 WeakPolarHBondContact O-CB 3.44Å; A187-R190 PolarHBondContact O-N 3.22Å; A187-F191 PolarHBondContact O-N 3.4Å
188	L	98.3	Very high	93.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-48.2	173.1	-79.1	168.9	0	0	0	112	Y165 C184 R190 F191 F192 I221 S226 I285	Y165-L188 HydrophobicContact CD1-CD2 4.49Å; Y165-L188 HydrophobicContact CD2-CD2 3.54Å; Y165-L188 HydrophobicContact CD2-CG 4.27Å; Y165-L188 HydrophobicContact CE2-CD2 3.92Å; Y165-L188 HydrophobicContact CG-CD2 3.9Å; Y165-L188 HydrophobicContact CG-CG 4.48Å; C184-L188 PolarHBondContact O-N 2.97Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 3.32Å; L188-F191 WeakPolarHBondContact O-CB 3.32Å; L188-F191 PolarHBondContact O-N 2.96Å; L188-F191 VanDerWaalsContact O-N 3.12Å; L188-F192 HydrophobicContact CD2-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CD2 3.22Å; L188-F192 PolarHBondContact O-N 3.36Å; L188-I221 HydrophobicContact CD2-CB 4.28Å; L188-I221 HydrophobicContact CD2-CG2 4.41Å; L188-S226 VanDerWaalsContact CD1-CB 3.47Å; L188-I285 HydrophobicContact CB-CG2 4.38Å; L188-I285 HydrophobicContact CD1-CG2 4.42Å; L188-I285 HydrophobicContact CD2-CG2 4.47Å
189	R	96.9	Very high	94.6	Very high	75 Å²	75	52.1 Å²	52.1	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-44.7	175.2	-71.8	-171.4	-55.2	-102.4	4.6	111.2	N185 F191 F192 D193 I285 G286	N185-R189 WeakPolarHBondContact O-CG 3.43Å; N185-R189 PolarHBondContact O-N 3.05Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 3.18Å; R189-F192 PolarHBondContact O-N 2.91Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 PolarHBondContact O-N 3.19Å; R189-D193 VanDerWaalsContact O-OD2 3.1Å; R189-I285 WeakPolarHBondContact CG-O 3.41Å; R189-G286 PolarHBondContact NH1-O 2.91Å
190	R	96.5	Very high	94.9	Very high	121 Å²	121	50.6 Å²	50.6	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-41.1	177.1	-173.9	-177.1	-177.7	-174.4	-0.5	112.2	L161 E164 K186 A187 L188 R194	L161-R190 HydrophobicContact CD2-CG 4.24Å; E164-R190 IonicContact OE1-CZ 3.39Å; E164-R190 IonicContact OE1-NH1 3.36Å; E164-R190 PolarHBondContact OE1-NH1 3Å; E164-R190 IonicContact OE2-CZ 3.1Å; E164-R190 IonicContact OE2-NE 2.75Å; E164-R190 IonicContact OE2-NH1 3.74Å; E164-R190 PolarHBondContact OE2-NH1 3.42Å; K186-R190 PolarHBondContact O-N 2.88Å; K186-R190 VanDerWaalsContact O-N 3.16Å; A187-R190 WeakPolarHBondContact O-CB 3.44Å; A187-R190 PolarHBondContact O-N 3.22Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 3.32Å; R190-R194 HydrophobicContact CG-CG 4.26Å; R190-R194 VanDerWaalsContact O-CB 3.22Å; R190-R194 WeakPolarHBondContact O-CB 3.39Å; R190-R194 VanDerWaalsContact O-CG 3.25Å; R190-R194 WeakPolarHBondContact O-CG 3.49Å; R190-R194 PolarHBondContact O-N 2.75Å; R190-R194 VanDerWaalsContact O-N 3.15Å
191	F	98.4	Very high	95	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-56.6	176.6	176.8	-101.4	0	0	0	111.2	L161 R162 Y165 A187 L188 R189 D193 R194 V195 T200 L203	L161-F191 HydrophobicContact CB-CD2 3.78Å; R162-F191 HydrophobicContact CB-CD2 4.47Å; R162-F191 HydrophobicContact CB-CE2 3.92Å; Y165-F191 HydrophobicContact CD1-CB 3.75Å; Y165-F191 HydrophobicContact CD1-CD1 4.07Å; Y165-F191 AromaticContact CD1-CD2 3.73Å; Y165-F191 HydrophobicContact CD1-CD2 3.73Å; Y165-F191 HydrophobicContact CD1-CE2 4.35Å; Y165-F191 AromaticContact CD1-CG 3.58Å; Y165-F191 HydrophobicContact CD1-CG 3.58Å; Y165-F191 HydrophobicContact CE1-CB 4.34Å; Y165-F191 AromaticContact CE1-CD1 3.78Å; Y165-F191 HydrophobicContact CE1-CD1 3.78Å; Y165-F191 AromaticContact CE1-CD2 3.69Å; Y165-F191 HydrophobicContact CE1-CD2 3.69Å; Y165-F191 AromaticContact CE1-CE1 3.93Å; Y165-F191 HydrophobicContact CE1-CE1 3.93Å; Y165-F191 AromaticContact CE1-CE2 3.86Å; Y165-F191 HydrophobicContact CE1-CE2 3.86Å; Y165-F191 AromaticContact CE1-CG 3.66Å; Y165-F191 HydrophobicContact CE1-CG 3.66Å; Y165-F191 AromaticContact CE1-CZ 3.98Å; Y165-F191 HydrophobicContact CE1-CZ 3.98Å; A187-F191 PolarHBondContact O-N 3.4Å; L188-F191 WeakPolarHBondContact O-CB 3.32Å; L188-F191 PolarHBondContact O-N 2.96Å; L188-F191 VanDerWaalsContact O-N 3.12Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 3.18Å; F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 PolarHBondContact O-N 2.97Å; F191-R194 PolarHBondContact O-N 3.4Å; F191-V195 HydrophobicContact CD2-CB 4.45Å; F191-V195 HydrophobicContact CD2-CG2 3.59Å; F191-V195 HydrophobicContact CE2-CB 4.32Å; F191-V195 HydrophobicContact CE2-CG1 4.43Å; F191-V195 HydrophobicContact CE2-CG2 3.68Å; F191-V195 HydrophobicContact CG-CG2 4.31Å; F191-V195 HydrophobicContact CZ-CG2 4.46Å; F191-V195 WeakPolarHBondContact O-CB 3.42Å; F191-V195 WeakPolarHBondContact O-CG2 3.3Å; F191-V195 PolarHBondContact O-N 3.43Å; F191-T200 HydrophobicContact CD1-CG2 4.27Å; F191-T200 HydrophobicContact CE1-CG2 3.74Å; F191-T200 HydrophobicContact CZ-CG2 4.03Å; F191-L203 HydrophobicContact CE1-CD1 4.44Å; F191-L203 HydrophobicContact CZ-CD1 3.78Å
192	F	97.3	Very high	95	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-16.8	-178.1	-72.8	-74.4	0	0	0	114.9	R85 L188 R189 T200 L204 I221 T282 I285	R85-F192 PolarHBondContact NH2-O 2.99Å; L188-F192 HydrophobicContact CD2-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CD2 3.22Å; L188-F192 PolarHBondContact O-N 3.36Å; R189-F192 PolarHBondContact O-N 2.91Å; F192-T200 HydrophobicContact CD1-CG2 4.03Å; F192-T200 HydrophobicContact CE1-CG2 4.38Å; F192-L204 HydrophobicContact CE1-CD2 4.18Å; F192-L204 HydrophobicContact CZ-CD2 4.33Å; F192-I221 HydrophobicContact CE2-CG2 4.09Å; F192-I221 HydrophobicContact CZ-CG2 4.12Å; F192-T282 HydrophobicContact CD1-CG2 4.25Å; F192-T282 HydrophobicContact CE1-CG2 4.27Å; F192-I285 HydrophobicContact CD2-CB 4.02Å; F192-I285 HydrophobicContact CD2-CD1 4.32Å; F192-I285 HydrophobicContact CD2-CG2 3.86Å; F192-I285 HydrophobicContact CE1-CD1 4.12Å; F192-I285 HydrophobicContact CE2-CB 4.06Å; F192-I285 HydrophobicContact CE2-CD1 3.82Å; F192-I285 HydrophobicContact CE2-CG2 3.58Å; F192-I285 HydrophobicContact CZ-CD1 3.7Å; F192-I285 HydrophobicContact CZ-CG2 4.48Å
193	D	94.8	Very high	95	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.171	18%	0.184	C	C	.	.	H	α-helix	trans	-91	-19	175.2	-68.2	-28.2	0	0	0	113.3	R85 R189 F191 R251	R85-D193 IonicContact CZ-OD1 3.48Å; R85-D193 IonicContact NE-OD1 3.67Å; R85-D193 PolarHBondContact NE-OD1 2.98Å; R85-D193 VanDerWaalsContact NE-OD1 3.1Å; R85-D193 IonicContact NH2-OD1 2.75Å; R85-D193 PolarHBondContact NH2-OD1 2.75Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 PolarHBondContact O-N 3.19Å; R189-D193 VanDerWaalsContact O-OD2 3.1Å; F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 PolarHBondContact O-N 2.97Å; D193-R251 IonicContact OD1-CZ 3.97Å; D193-R251 IonicContact OD1-NH1 3.75Å; D193-R251 IonicContact OD1-NH2 2.89Å; D193-R251 PolarHBondContact OD1-NH2 3.1Å; D193-R251 IonicContact OD2-CZ 3.75Å; D193-R251 IonicContact OD2-NH1 2.89Å; D193-R251 IonicContact OD2-NH2 2.77Å; D193-R251 PolarHBondContact OD2-NH2 3.39Å
194	R	95.2	Very high	95.1	Very high	141 Å²	141	35.2 Å²	35.2	53%	0.532	16%	0.16	S	C	.	.	H	α-helix	trans	-116.4	-31.5	-172.2	-63.9	-64.2	-174.2	130.7	-7	114.2	G86 L161 R190 F191	G86-R194 PolarHBondContact O-NH2 2.91Å; L161-R194 HydrophobicContact CD1-CB 3.6Å; L161-R194 HydrophobicContact CD1-CG 4.48Å; R190-R194 HydrophobicContact CG-CG 4.26Å; R190-R194 VanDerWaalsContact O-CB 3.22Å; R190-R194 WeakPolarHBondContact O-CB 3.39Å; R190-R194 VanDerWaalsContact O-CG 3.25Å; R190-R194 WeakPolarHBondContact O-CG 3.49Å; R190-R194 PolarHBondContact O-N 2.75Å; R190-R194 VanDerWaalsContact O-N 3.15Å; F191-R194 PolarHBondContact O-N 3.4Å
195	V	95.6	Very high	95	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.042	16%	0.161	C	C	.	.	S	Bend	trans	-79.2	136.3	176.2	179.8	0	0	0	0	108.6	C158 L161 F191 Y199 T200	C158-V195 HydrophobicContact CB-CG1 3.91Å; L161-V195 HydrophobicContact CB-CG2 4.05Å; L161-V195 HydrophobicContact CD1-CG2 3.71Å; L161-V195 HydrophobicContact CG-CG2 4.45Å; F191-V195 HydrophobicContact CD2-CB 4.45Å; F191-V195 HydrophobicContact CD2-CG2 3.59Å; F191-V195 HydrophobicContact CE2-CB 4.32Å; F191-V195 HydrophobicContact CE2-CG1 4.43Å; F191-V195 HydrophobicContact CE2-CG2 3.68Å; F191-V195 HydrophobicContact CG-CG2 4.31Å; F191-V195 HydrophobicContact CZ-CG2 4.46Å; F191-V195 WeakPolarHBondContact O-CB 3.42Å; F191-V195 WeakPolarHBondContact O-CG2 3.3Å; F191-V195 PolarHBondContact O-N 3.43Å; V195-Y199 HydrophobicContact CG1-CD2 4.27Å; V195-Y199 HydrophobicContact CG1-CG 4.43Å; V195-T200 HydrophobicContact CB-CG2 3.64Å; V195-T200 HydrophobicContact CG1-CG2 3.64Å
196	P	92.8	Very high	94.9	Very high	53 Å²	53	34.5 Å²	34.5	34%	0.344	16%	0.156	S	C	.	.			trans	-52.6	147.7	176.1	-27.3	34.8	0	0	0	113.4	D198 Y199 T200	P196-D198 PolarHBondContact O-N 3.31Å; P196-Y199 HydrophobicContact CB-CD2 4.18Å; P196-Y199 HydrophobicContact CG-CD2 4.25Å; P196-Y199 HydrophobicContact CG-CE2 4.47Å; P196-Y199 PolarHBondContact O-N 3.14Å; P196-T200 PolarHBondContact O-N 3.04Å; P196-T200 PolarHBondContact O-OG1 3.25Å
197	A	90.7	Very high	94.7	Very high	18 Å²	18	28.2 Å²	28.2	15%	0.149	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-34.3	178.7	0	0	0	0	0	111.7	Y123 Y199 T200 H201	Y123-A197 HydrophobicContact CE1-CB 4.26Å; A197-Y199 VanDerWaalsContact C-N 3.28Å; A197-Y199 PolarHBondContact O-N 3.28Å; A197-T200 WeakPolarHBondContact CA-OG1 3.48Å; A197-T200 PolarHBondContact O-N 3.35Å; A197-T200 PolarHBondContact O-OG1 3.34Å; A197-H201 WeakPolarHBondContact O-CB 3.25Å; A197-H201 VanDerWaalsContact O-CG 3.3Å; A197-H201 PolarHBondContact O-N 3.33Å
198	D	88.5	Confident	94.3	Very high	46 Å²	46	29.5 Å²	29.5	25%	0.246	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-39.7	-179.7	-50.1	-41	0	0	0	112.3	L128 P196 E202	L128-D198 VanDerWaalsContact CD1-C 3.44Å; L128-D198 HydrophobicContact CD1-CB 3.61Å; L128-D198 WeakPolarHBondContact CD1-O 3.43Å; L128-D198 HydrophobicContact CG-CB 4.15Å; P196-D198 PolarHBondContact O-N 3.31Å; D198-E202 WeakPolarHBondContact O-CB 3.22Å; D198-E202 WeakPolarHBondContact O-CG 3.36Å
199	Y	93.1	Very high	93.9	Very high	24 Å²	24	35.5 Å²	35.5	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-81.1	-45	175.3	-64.4	-76.1	0	0	0	112.4	L128 A151 C152 D155 C158 V195 P196 A197 L203	L128-Y199 HydrophobicContact CD1-CD1 3.39Å; L128-Y199 HydrophobicContact CD1-CD2 4.18Å; L128-Y199 HydrophobicContact CD1-CE1 3.51Å; L128-Y199 HydrophobicContact CD1-CE2 4.29Å; L128-Y199 HydrophobicContact CD1-CG 3.74Å; L128-Y199 HydrophobicContact CD2-CD1 4.28Å; L128-Y199 HydrophobicContact CD2-CE1 3.49Å; L128-Y199 VanDerWaalsContact CD2-CE1 3.49Å; L128-Y199 HydrophobicContact CD2-CE2 4.16Å; L128-Y199 VanDerWaalsContact CD2-CZ 3.42Å; L128-Y199 WeakPolarHBondContact CD2-OH 2.88Å; L128-Y199 HydrophobicContact CG-CD1 4.46Å; L128-Y199 HydrophobicContact CG-CE1 4.12Å; A151-Y199 HydrophobicContact CB-CD1 4.46Å; A151-Y199 HydrophobicContact CB-CE1 4.31Å; C152-Y199 HydrophobicContact CB-CD1 4.45Å; D155-Y199 HydrophobicContact CB-CE1 3.87Å; D155-Y199 HydrophobicContact CB-CE2 4.04Å; D155-Y199 WeakPolarHBondContact CB-OH 3.4Å; D155-Y199 PolarHBondContact OD2-OH 3.05Å; C158-Y199 HydrophobicContact CB-CG 4.37Å; V195-Y199 HydrophobicContact CG1-CD2 4.27Å; V195-Y199 HydrophobicContact CG1-CG 4.43Å; P196-Y199 HydrophobicContact CB-CD2 4.18Å; P196-Y199 HydrophobicContact CG-CD2 4.25Å; P196-Y199 HydrophobicContact CG-CE2 4.47Å; P196-Y199 PolarHBondContact O-N 3.14Å; A197-Y199 VanDerWaalsContact C-N 3.28Å; A197-Y199 PolarHBondContact O-N 3.28Å; Y199-L203 WeakPolarHBondContact O-CB 3.18Å; Y199-L203 VanDerWaalsContact O-CG 3.27Å; Y199-L203 WeakPolarHBondContact O-CG 3.45Å; Y199-L203 PolarHBondContact O-N 2.59Å
200	T	95.4	Very high	93.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-69.7	-36	-172.7	57.1	0	0	0	0	112.6	F191 F192 V195 P196 A197 L204	F191-T200 HydrophobicContact CD1-CG2 4.27Å; F191-T200 HydrophobicContact CE1-CG2 3.74Å; F191-T200 HydrophobicContact CZ-CG2 4.03Å; F192-T200 HydrophobicContact CD1-CG2 4.03Å; F192-T200 HydrophobicContact CE1-CG2 4.38Å; V195-T200 HydrophobicContact CB-CG2 3.64Å; V195-T200 HydrophobicContact CG1-CG2 3.64Å; P196-T200 PolarHBondContact O-N 3.04Å; P196-T200 PolarHBondContact O-OG1 3.25Å; A197-T200 WeakPolarHBondContact CA-OG1 3.48Å; A197-T200 PolarHBondContact O-N 3.35Å; A197-T200 PolarHBondContact O-OG1 3.34Å; T200-L204 VanDerWaalsContact O-CB 3.3Å; T200-L204 WeakPolarHBondContact O-CB 3.35Å; T200-L204 PolarHBondContact O-N 2.85Å; T200-L204 VanDerWaalsContact O-N 3.12Å
201	H	94.3	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-73.7	-40.7	177.5	-68.2	-168.7	0	0	0	111	Y125 A197 L203 L204 F205 F337	Y125-H201 HydrophobicContact CE1-CB 4.33Å; Y125-H201 AromaticContact CE1-ND1 3.51Å; Y125-H201 AromaticContact CZ-ND1 3.61Å; Y125-H201 PolarHBondContact OH-CE1 2.86Å; Y125-H201 PolarHBondContact OH-ND1 3.35Å; A197-H201 WeakPolarHBondContact O-CB 3.25Å; A197-H201 VanDerWaalsContact O-CG 3.3Å; A197-H201 PolarHBondContact O-N 3.33Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.13Å; H201-L204 PolarHBondContact O-N 3.02Å; H201-F205 HydrophobicContact CB-CD2 3.77Å; H201-F205 HydrophobicContact CB-CE2 4.17Å; H201-F205 AromaticContact CD2-CE2 3.79Å; H201-F205 AromaticContact CG-CD2 3.97Å; H201-F205 AromaticContact CG-CE2 3.86Å; H201-F205 WeakPolarHBondContact O-CA 3.35Å; H201-F205 WeakPolarHBondContact O-CB 3.45Å; H201-F205 PolarHBondContact O-N 3.18Å; H201-F337 HydrophobicContact CB-CE1 4.28Å; H201-F337 HydrophobicContact CB-CE2 3.75Å; H201-F337 HydrophobicContact CB-CZ 3.55Å; H201-F337 WeakPolarHBondContact O-CE1 3.36Å
202	E	91.9	Very high	93.2	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-39.3	173.8	-74.6	-71.3	176.7	0	0	111.9	A148 D198 C206 F337	A148-E202 VanDerWaalsContact CB-C 3.49Å; A148-E202 HydrophobicContact CB-CB 3.76Å; A148-E202 WeakPolarHBondContact CB-O 3.39Å; D198-E202 WeakPolarHBondContact O-CB 3.22Å; D198-E202 WeakPolarHBondContact O-CG 3.36Å; E202-C206 WeakPolarHBondContact O-CB 3.36Å; E202-C206 PolarHBondContact O-N 3.06Å; E202-F337 HydrophobicContact CG-CZ 4.16Å
203	L	94.8	Very high	93.1	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-42.1	175.7	-75.4	167.8	0	0	0	112.8	A148 A149 C152 F191 Y199 H201 T220	A148-L203 HydrophobicContact CB-CD2 4.11Å; A148-L203 HydrophobicContact CB-CG 4.33Å; A149-L203 HydrophobicContact CB-CD2 4.17Å; C152-L203 HydrophobicContact CB-CD1 4.02Å; C152-L203 HydrophobicContact CB-CD2 4.47Å; F191-L203 HydrophobicContact CE1-CD1 4.44Å; F191-L203 HydrophobicContact CZ-CD1 3.78Å; Y199-L203 WeakPolarHBondContact O-CB 3.18Å; Y199-L203 VanDerWaalsContact O-CG 3.27Å; Y199-L203 WeakPolarHBondContact O-CG 3.45Å; Y199-L203 PolarHBondContact O-N 2.59Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.13Å; L203-T220 HydrophobicContact CB-CG2 4.26Å; L203-T220 PolarHBondContact O-OG1 3.36Å
204	L	96.7	Very high	93.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-91.5	-33	-169	-172.6	66.4	0	0	0	113.4	F192 T200 H201 R217 T220 I221 Y281 T282 I285 Y293	F192-L204 HydrophobicContact CE1-CD2 4.18Å; F192-L204 HydrophobicContact CZ-CD2 4.33Å; T200-L204 VanDerWaalsContact O-CB 3.3Å; T200-L204 WeakPolarHBondContact O-CB 3.35Å; T200-L204 PolarHBondContact O-N 2.85Å; T200-L204 VanDerWaalsContact O-N 3.12Å; H201-L204 PolarHBondContact O-N 3.02Å; L204-R217 WeakPolarHBondContact O-CG 3.35Å; L204-T220 HydrophobicContact CD1-CG2 4.08Å; L204-I221 HydrophobicContact CD1-CG2 4.22Å; L204-Y281 HydrophobicContact CD2-CD1 4.49Å; L204-Y281 HydrophobicContact CD2-CE1 4.2Å; L204-T282 HydrophobicContact CD2-CG2 3.66Å; L204-I285 HydrophobicContact CD1-CD1 4.49Å; L204-I285 HydrophobicContact CD2-CD1 3.5Å; L204-Y293 WeakPolarHBondContact O-CE2 3.42Å; L204-Y293 PolarHBondContact O-OH 3.38Å
205	F	95.4	Very high	93.1	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-114.9	11.5	-171.3	-51.1	-51.4	0	0	0	113.4	H201 L278 Y281 T282 L334 F337	H201-F205 HydrophobicContact CB-CD2 3.77Å; H201-F205 HydrophobicContact CB-CE2 4.17Å; H201-F205 AromaticContact CD2-CE2 3.79Å; H201-F205 AromaticContact CG-CD2 3.97Å; H201-F205 AromaticContact CG-CE2 3.86Å; H201-F205 WeakPolarHBondContact O-CA 3.35Å; H201-F205 WeakPolarHBondContact O-CB 3.45Å; H201-F205 PolarHBondContact O-N 3.18Å; F205-L278 HydrophobicContact CD2-CD1 4.27Å; F205-L278 HydrophobicContact CD2-CD2 4.17Å; F205-L278 HydrophobicContact CE1-CD2 4.31Å; F205-L278 HydrophobicContact CE2-CB 3.86Å; F205-L278 HydrophobicContact CE2-CD1 4.39Å; F205-L278 HydrophobicContact CE2-CD2 3.87Å; F205-L278 HydrophobicContact CE2-CG 4.24Å; F205-L278 HydrophobicContact CZ-CB 4.37Å; F205-L278 HydrophobicContact CZ-CD2 3.91Å; F205-Y281 AromaticContact CE1-CD1 3.74Å; F205-Y281 HydrophobicContact CE1-CD1 3.74Å; F205-Y281 AromaticContact CE1-CE1 3.77Å; F205-Y281 HydrophobicContact CE1-CE1 3.77Å; F205-Y281 AromaticContact CZ-CD1 3.65Å; F205-Y281 HydrophobicContact CZ-CD1 3.65Å; F205-Y281 HydrophobicContact CZ-CE1 4.14Å; F205-Y281 HydrophobicContact CZ-CG 4.47Å; F205-T282 HydrophobicContact CE2-CG2 3.7Å; F205-T282 HydrophobicContact CZ-CG2 3.53Å; F205-L334 HydrophobicContact CB-CD2 4.44Å; F205-L334 HydrophobicContact CD1-CD2 3.29Å; F205-L334 HydrophobicContact CE1-CD2 3.58Å; F205-L334 HydrophobicContact CG-CD2 3.96Å; F205-L334 HydrophobicContact CZ-CD2 4.45Å; F205-F337 HydrophobicContact CB-CD1 3.52Å; F205-F337 HydrophobicContact CB-CE1 3.79Å; F205-F337 HydrophobicContact CB-CG 4.36Å
206	C	92.8	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.			trans	-47.8	134.9	175.3	43.2	0	0	0	0	112.2	R144 C145 E202 R217	R144-C206 HydrophobicContact CB-CB 4.22Å; C145-C206 WeakPolarHBondContact CA-SG 3.42Å; C145-C206 HydrophobicContact CB-CB 3.89Å; C145-C206 WeakPolarHBondContact CB-SG 3.29Å; C145-C206 WeakPolarHBondContact SG-CB 3.3Å; C145-C206 CovalentContact SG-SG 2.01Å; C145-C206 PolarHBondContact SG-SG 3.31Å; E202-C206 WeakPolarHBondContact O-CB 3.36Å; E202-C206 PolarHBondContact O-N 3.06Å; C206-R217 WeakPolarHBondContact O-CD 3.47Å; C206-R217 PolarHBondContact O-NH1 2.83Å
207	P	91.1	Very high	93.3	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.091	19%	0.191	C	C	.	.			trans	-70.9	147.8	174.7	30.5	-34.7	0	0	0	110.3	R144 E342	R144-P207 HydrophobicContact CB-CG 4.25Å; R144-P207 HydrophobicContact CG-CG 3.99Å; P207-E342 HydrophobicContact CB-CG 4.22Å; P207-E342 WeakPolarHBondContact CB-OE1 3.3Å; P207-E342 HydrophobicContact CG-CG 4.01Å
208	C	90.8	Very high	93.6	Very high	34 Å²	34	34.6 Å²	34.6	23%	0.23	19%	0.19	C	C	.	.			trans	-137.4	136.4	-177	-71.3	0	0	0	0	111.3	C145 C213 A214	C145-C208 PolarHBondContact SG-SG 3.39Å; C208-C213 WeakPolarHBondContact CA-SG 3.28Å; C208-C213 HydrophobicContact CB-CB 3.57Å; C208-C213 WeakPolarHBondContact CB-SG 3.32Å; C208-C213 WeakPolarHBondContact SG-CB 3.47Å; C208-C213 PolarHBondContact SG-O 2.92Å; C208-C213 VanDerWaalsContact SG-O 3.34Å; C208-C213 CovalentContact SG-SG 2.05Å; C208-C213 PolarHBondContact SG-SG 2.95Å; C208-A214 HydrophobicContact CB-CB 4.31Å; C208-A214 PolarHBondContact SG-N 3.42Å; C208-A214 VanDerWaalsContact SG-N 3.37Å
209	T	89.4	Confident	94	Very high	126 Å²	126	36.1 Å²	36.1	77%	0.773	20%	0.196	S	C	*	.	S	Bend	trans	-104.1	-15.9	176.1	53.3	0	0	0	0	112.9
210	D	90.6	Very high	94.2	Very high	63 Å²	63	35.9 Å²	35.9	34%	0.337	20%	0.197	S	C	.	.	S	Bend	trans	-130.4	165.3	-179.5	65.2	41.4	0	0	0	112.3	A212 C213 A214	D210-A212 VanDerWaalsContact C-N 3.32Å; D210-A212 PolarHBondContact O-N 3.46Å; D210-A212 PolarHBondContact OD1-N 3.04Å; D210-C213 WeakPolarHBondContact OD1-CB 3.39Å; D210-C213 PolarHBondContact OD1-N 3.43Å; D210-A214 PolarHBondContact O-N 3.5Å; D210-A214 VanDerWaalsContact O-N 3.12Å
211	T	93.5	Very high	94.3	Very high	90 Å²	90	35.8 Å²	35.8	55%	0.552	20%	0.196	S	C	*	.	H	α-helix	trans	-70.1	-27	-178.1	52	0	0	0	0	112.8	A214 E215	T211-A214 PolarHBondContact O-N 2.99Å; T211-E215 WeakPolarHBondContact O-CB 3.29Å; T211-E215 PolarHBondContact O-N 2.89Å
212	A	92.8	Very high	94.5	Very high	66 Å²	66	36.6 Å²	36.6	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-69.7	-42.8	178.6	0	0	0	0	0	111.6	D210 R216	D210-A212 VanDerWaalsContact C-N 3.32Å; D210-A212 PolarHBondContact O-N 3.46Å; D210-A212 PolarHBondContact OD1-N 3.04Å; A212-R216 PolarHBondContact O-N 3.01Å
213	C	94.3	Very high	94.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-48.8	170.4	-179.8	0	0	0	0	110.8	C145 C208 D210 E215 R216 R217	C145-C213 PolarHBondContact SG-SG 3.09Å; C208-C213 WeakPolarHBondContact CA-SG 3.28Å; C208-C213 HydrophobicContact CB-CB 3.57Å; C208-C213 WeakPolarHBondContact CB-SG 3.32Å; C208-C213 WeakPolarHBondContact SG-CB 3.47Å; C208-C213 PolarHBondContact SG-O 2.92Å; C208-C213 VanDerWaalsContact SG-O 3.34Å; C208-C213 CovalentContact SG-SG 2.05Å; C208-C213 PolarHBondContact SG-SG 2.95Å; D210-C213 WeakPolarHBondContact OD1-CB 3.39Å; D210-C213 PolarHBondContact OD1-N 3.43Å; C213-E215 VanDerWaalsContact C-N 3.29Å; C213-E215 PolarHBondContact O-N 3.07Å; C213-R216 WeakPolarHBondContact O-CB 3.14Å; C213-R216 PolarHBondContact O-N 3.03Å; C213-R216 VanDerWaalsContact O-N 3.12Å; C213-R217 PolarHBondContact O-N 3.4Å
214	A	95.1	Very high	94.6	Very high	7 Å²	7	38.9 Å²	38.9	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-37.4	-179.2	0	0	0	0	0	112.1	C208 D210 T211 R217 R218 N296	C208-A214 HydrophobicContact CB-CB 4.31Å; C208-A214 PolarHBondContact SG-N 3.42Å; C208-A214 VanDerWaalsContact SG-N 3.37Å; D210-A214 PolarHBondContact O-N 3.5Å; D210-A214 VanDerWaalsContact O-N 3.12Å; T211-A214 PolarHBondContact O-N 2.99Å; A214-R217 WeakPolarHBondContact O-CB 3.47Å; A214-R217 PolarHBondContact O-N 3.21Å; A214-R218 WeakPolarHBondContact O-CB 3.42Å; A214-R218 PolarHBondContact O-N 3.46Å; A214-N296 HydrophobicContact CB-CB 4.07Å; A214-N296 WeakPolarHBondContact CB-O 3.01Å
215	E	95.6	Very high	94.5	Very high	48 Å²	48	39 Å²	39	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-42.1	173.5	-173.4	58.9	-158.5	0	0	111.6	T211 C213 R217 R218 Q219 N296	T211-E215 WeakPolarHBondContact O-CB 3.29Å; T211-E215 PolarHBondContact O-N 2.89Å; C213-E215 VanDerWaalsContact C-N 3.29Å; C213-E215 PolarHBondContact O-N 3.07Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 2.87Å; E215-R218 PolarHBondContact O-N 2.98Å; E215-R218 IonicContact OE1-CZ 3.42Å; E215-R218 IonicContact OE1-NE 3.25Å; E215-R218 PolarHBondContact OE1-NE 2.97Å; E215-R218 IonicContact OE1-NH2 2.76Å; E215-R218 PolarHBondContact OE1-NH2 2.77Å; E215-R218 IonicContact OE2-CZ 3.78Å; E215-R218 IonicContact OE2-NE 2.95Å; E215-R218 PolarHBondContact OE2-NE 2.89Å; E215-R218 IonicContact OE2-NH2 3.71Å; E215-Q219 HydrophobicContact CG-CG 4.22Å; E215-Q219 WeakPolarHBondContact O-CB 3.44Å; E215-Q219 WeakPolarHBondContact O-CG 3.38Å; E215-Q219 PolarHBondContact O-N 2.9Å; E215-Q219 WeakPolarHBondContact OE1-CG 3.5Å; E215-Q219 PolarHBondContact OE1-NE2 3.09Å; E215-N296 HydrophobicContact CB-CB 4.35Å; E215-N296 PolarHBondContact OE2-ND2 3.38Å
216	R	95.8	Very high	94.5	Very high	111 Å²	111	38.8 Å²	38.8	42%	0.419	22%	0.221	S	C	.	.	H	α-helix	trans	-55.8	-44.7	172.8	178.4	-179.7	-67.7	-84.7	-0.7	111.2	C145 A212 C213 Q219 T220	C145-R216 HydrophobicContact CB-CG 4.04Å; A212-R216 PolarHBondContact O-N 3.01Å; C213-R216 WeakPolarHBondContact O-CB 3.14Å; C213-R216 PolarHBondContact O-N 3.03Å; C213-R216 VanDerWaalsContact O-N 3.12Å; R216-Q219 PolarHBondContact O-N 2.87Å; R216-T220 PolarHBondContact O-N 3.18Å; R216-T220 PolarHBondContact O-OG1 3.17Å
217	R	96.5	Very high	94.7	Very high	13 Å²	13	39 Å²	39	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-48.2	176.3	-172.6	173.5	67.2	-171	4.2	111.7	L204 C206 C213 A214 E215 Q219 T220 Y293 S299	L204-R217 WeakPolarHBondContact O-CG 3.35Å; C206-R217 WeakPolarHBondContact O-CD 3.47Å; C206-R217 PolarHBondContact O-NH1 2.83Å; C213-R217 PolarHBondContact O-N 3.4Å; A214-R217 WeakPolarHBondContact O-CB 3.47Å; A214-R217 PolarHBondContact O-N 3.21Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 2.87Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.37Å; R217-T220 VanDerWaalsContact O-CB 3.27Å; R217-T220 WeakPolarHBondContact O-CB 3.21Å; R217-T220 PolarHBondContact O-N 3.47Å; R217-T220 PolarHBondContact O-OG1 3.15Å; R217-Y293 HydrophobicContact CG-CD2 4.08Å; R217-Y293 HydrophobicContact CG-CE2 3.56Å; R217-Y293 VanDerWaalsContact NE-CZ 3.35Å; R217-S299 PolarHBondContact NH2-OG 2.94Å; R217-S299 VanDerWaalsContact NH2-OG 3.16Å
218	R	97.3	Very high	94.8	Very high	37 Å²	37	41.5 Å²	41.5	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-34.2	177.2	-167.8	-175.1	80.4	85.1	1.5	112.9	A214 E215 T220 E228 N292	A214-R218 WeakPolarHBondContact O-CB 3.42Å; A214-R218 PolarHBondContact O-N 3.46Å; E215-R218 PolarHBondContact O-N 2.98Å; E215-R218 IonicContact OE1-CZ 3.42Å; E215-R218 IonicContact OE1-NE 3.25Å; E215-R218 PolarHBondContact OE1-NE 2.97Å; E215-R218 IonicContact OE1-NH2 2.76Å; E215-R218 PolarHBondContact OE1-NH2 2.77Å; E215-R218 IonicContact OE2-CZ 3.78Å; E215-R218 IonicContact OE2-NE 2.95Å; E215-R218 PolarHBondContact OE2-NE 2.89Å; E215-R218 IonicContact OE2-NH2 3.71Å; R218-T220 VanDerWaalsContact C-N 3.31Å; R218-T220 PolarHBondContact O-N 3.4Å; R218-E228 IonicContact CZ-OE1 3.98Å; R218-E228 IonicContact NH1-OE1 3.18Å; R218-E228 PolarHBondContact NH1-OE1 2.85Å; R218-N292 PolarHBondContact O-ND2 3.47Å
219	Q	96.8	Very high	94.6	Very high	78 Å²	78	42.3 Å²	42.3	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-78.1	-9	-179.4	-70	-69.2	-16.8	0	0	114.2	E215 R216 R217 I221 V222	E215-Q219 HydrophobicContact CG-CG 4.22Å; E215-Q219 WeakPolarHBondContact O-CB 3.44Å; E215-Q219 WeakPolarHBondContact O-CG 3.38Å; E215-Q219 PolarHBondContact O-N 2.9Å; E215-Q219 WeakPolarHBondContact OE1-CG 3.5Å; E215-Q219 PolarHBondContact OE1-NE2 3.09Å; R216-Q219 PolarHBondContact O-N 2.87Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.37Å; Q219-I221 PolarHBondContact O-N 3.5Å; Q219-V222 PolarHBondContact O-N 2.94Å
220	T	97.9	Very high	94.3	Very high	18 Å²	18	40.6 Å²	40.6	11%	0.11	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-39	-176.4	-61.1	0	0	0	0	113.7	Y165 L203 L204 R216 R217 R218	Y165-T220 WeakPolarHBondContact CE2-O 3.24Å; Y165-T220 PolarHBondContact OH-O 2.76Å; L203-T220 HydrophobicContact CB-CG2 4.26Å; L203-T220 PolarHBondContact O-OG1 3.36Å; L204-T220 HydrophobicContact CD1-CG2 4.08Å; R216-T220 PolarHBondContact O-N 3.18Å; R216-T220 PolarHBondContact O-OG1 3.17Å; R217-T220 VanDerWaalsContact O-CB 3.27Å; R217-T220 WeakPolarHBondContact O-CB 3.21Å; R217-T220 PolarHBondContact O-N 3.47Å; R217-T220 PolarHBondContact O-OG1 3.15Å; R218-T220 VanDerWaalsContact C-N 3.31Å; R218-T220 PolarHBondContact O-N 3.4Å
221	I	97.8	Very high	94.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	9.1	-177.8	65.8	167.5	0	0	0	113.8	L188 F192 L204 Q219 S226 I285 T290 N292	L188-I221 HydrophobicContact CD2-CB 4.28Å; L188-I221 HydrophobicContact CD2-CG2 4.41Å; F192-I221 HydrophobicContact CE2-CG2 4.09Å; F192-I221 HydrophobicContact CZ-CG2 4.12Å; L204-I221 HydrophobicContact CD1-CG2 4.22Å; Q219-I221 PolarHBondContact O-N 3.5Å; I221-S226 WeakPolarHBondContact O-CB 3.04Å; I221-S226 PolarHBondContact O-OG 3.09Å; I221-I285 HydrophobicContact CB-CG2 4.47Å; I221-I285 HydrophobicContact CG2-CD1 4.24Å; I221-I285 HydrophobicContact CG2-CG2 3.92Å; I221-T290 HydrophobicContact CD1-CG2 3.88Å; I221-N292 HydrophobicContact CD1-CB 3.94Å
222	V	96.9	Very high	94.2	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.103	26%	0.26	C	S	.	.			trans	55.5	67.9	-176.7	-166.4	0	0	0	0	111.4	Y165 C169 I170 Q219 S224 C225 S226	Y165-V222 HydrophobicContact CE2-CG2 4.48Å; C169-V222 HydrophobicContact CB-CB 3.89Å; C169-V222 HydrophobicContact CB-CG1 3.95Å; C169-V222 HydrophobicContact CB-CG2 4.06Å; I170-V222 HydrophobicContact CG1-CG1 4.38Å; Q219-V222 PolarHBondContact O-N 2.94Å; V222-S224 VanDerWaalsContact C-N 3.25Å; V222-S224 PolarHBondContact O-N 3.12Å; V222-C225 HydrophobicContact CG1-CB 4.33Å; V222-C225 PolarHBondContact O-N 2.98Å; V222-S226 PolarHBondContact O-N 3.14Å; V222-S226 PolarHBondContact O-OG 2.04Å; V222-S226 VanDerWaalsContact O-OG 3.13Å
223	P	96.1	Very high	94.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-32	-169.4	21.3	-33	0	0	0	114	C225 Y227 E228	P223-C225 PolarHBondContact O-N 3.26Å; P223-Y227 HydrophobicContact CB-CD1 4.12Å; P223-Y227 HydrophobicContact CB-CG 4.47Å; P223-Y227 CarbonylContact O-C 3.58Å; P223-Y227 PolarHBondContact O-N 2.74Å; P223-E228 HydrophobicContact CB-CG 4.36Å; P223-E228 WeakPolarHBondContact O-CB 3.45Å; P223-E228 PolarHBondContact O-N 3.16Å
224	S	93.4	Very high	94.1	Very high	84 Å²	84	45.5 Å²	45.5	59%	0.587	25%	0.252	S	S	*	.	H	α-helix	trans	-57.4	-19.4	176.4	57.5	0	0	0	0	114	V222	V222-S224 VanDerWaalsContact C-N 3.25Å; V222-S224 PolarHBondContact O-N 3.12Å
225	C	94.9	Very high	94.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-111.8	-50.6	176.3	-178.5	0	0	0	0	113.1	C169 C179 R181 C184 V222 P223	C169-C225 HydrophobicContact CB-CB 4.23Å; C169-C225 PolarHBondContact O-SG 3.01Å; C179-C225 HydrophobicContact CB-CB 3.74Å; C179-C225 WeakPolarHBondContact CB-SG 3.42Å; C179-C225 WeakPolarHBondContact SG-CA 3.16Å; C179-C225 WeakPolarHBondContact SG-CB 3.02Å; C179-C225 CovalentContact SG-SG 2.01Å; C179-C225 PolarHBondContact SG-SG 3.22Å; R181-C225 WeakPolarHBondContact CD-O 3.07Å; R181-C225 WeakPolarHBondContact CG-O 3.44Å; R181-C225 PolarHBondContact NH1-O 3.45Å; C184-C225 VanDerWaalsContact SG-SG 3.61Å; V222-C225 HydrophobicContact CG1-CB 4.33Å; V222-C225 PolarHBondContact O-N 2.98Å; P223-C225 PolarHBondContact O-N 3.26Å
226	S	95.8	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-86.7	-22.9	-168.1	66.6	0	0	0	0	114	R181 L188 I221 V222	R181-S226 VanDerWaalsContact CZ-O 3.26Å; R181-S226 PolarHBondContact NH2-O 3.32Å; L188-S226 VanDerWaalsContact CD1-CB 3.47Å; I221-S226 WeakPolarHBondContact O-CB 3.04Å; I221-S226 PolarHBondContact O-OG 3.09Å; V222-S226 PolarHBondContact O-N 3.14Å; V222-S226 PolarHBondContact O-OG 2.04Å; V222-S226 VanDerWaalsContact O-OG 3.13Å
227	Y	96.1	Very high	94	Very high	5 Å²	5	42 Å²	42	2%	0.02	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-64.6	-170.7	179.8	-117.6	0	0	0	111.2	R181 P223 T290 N292 A302 W304	R181-Y227 PolarHBondContact NH1-O 3.18Å; R181-Y227 PolarHBondContact NH2-O 3.02Å; P223-Y227 HydrophobicContact CB-CD1 4.12Å; P223-Y227 HydrophobicContact CB-CG 4.47Å; P223-Y227 CarbonylContact O-C 3.58Å; P223-Y227 PolarHBondContact O-N 2.74Å; Y227-T290 VanDerWaalsContact CD2-O 3.3Å; Y227-T290 WeakPolarHBondContact CD2-O 3.46Å; Y227-T290 WeakPolarHBondContact CE2-O 3.35Å; Y227-N292 HydrophobicContact CD1-CB 3.95Å; Y227-N292 HydrophobicContact CD2-CB 3.74Å; Y227-N292 HydrophobicContact CE1-CB 4Å; Y227-N292 HydrophobicContact CE2-CB 3.8Å; Y227-N292 HydrophobicContact CG-CB 3.84Å; Y227-A302 VanDerWaalsContact CE2-O 3.29Å; Y227-A302 WeakPolarHBondContact CE2-O 3.37Å; Y227-A302 PolarHBondContact OH-O 2.84Å; Y227-W304 AromaticContact CD1-CE3 3.99Å; Y227-W304 HydrophobicContact CD1-CE3 3.99Å; Y227-W304 HydrophobicContact CD2-CB 3.95Å; Y227-W304 HydrophobicContact CE1-CD2 4.44Å; Y227-W304 AromaticContact CE1-CE3 3.45Å; Y227-W304 HydrophobicContact CE1-CE3 3.45Å; Y227-W304 VanDerWaalsContact CE1-CE3 3.45Å; Y227-W304 AromaticContact CE1-CZ3 4Å; Y227-W304 HydrophobicContact CE1-CZ3 4Å; Y227-W304 HydrophobicContact CE2-CB 3.74Å; Y227-W304 VanDerWaalsContact CE2-N 3.33Å; Y227-W304 HydrophobicContact CG-CB 4.45Å; Y227-W304 AromaticContact CZ-CE3 3.74Å; Y227-W304 VanDerWaalsContact O-CB 3.31Å; Y227-W304 WeakPolarHBondContact O-CB 3.38Å
228	E	93.1	Very high	93.9	Very high	66 Å²	66	42.4 Å²	42.4	31%	0.308	24%	0.243	S	C	.	.			trans	-70.5	146.3	-173.6	-60.5	169.7	-173.5	0	0	111.7	R181 R218 P223 W304	R181-E228 PolarHBondContact NH1-O 3.02Å; R218-E228 IonicContact CZ-OE1 3.98Å; R218-E228 IonicContact NH1-OE1 3.18Å; R218-E228 PolarHBondContact NH1-OE1 2.85Å; P223-E228 HydrophobicContact CB-CG 4.36Å; P223-E228 WeakPolarHBondContact O-CB 3.45Å; P223-E228 PolarHBondContact O-N 3.16Å; E228-W304 HydrophobicContact CB-CH2 4.45Å; E228-W304 HydrophobicContact CB-CZ2 4.4Å; E228-W304 HydrophobicContact CG-CE3 4.31Å; E228-W304 HydrophobicContact CG-CH2 4.17Å; E228-W304 HydrophobicContact CG-CZ3 4.02Å
229	S	86.6	Confident	93.8	Very high	52 Å²	52	42.4 Å²	42.4	36%	0.364	25%	0.245	S	C	.	.			trans	-143.8	161.6	169.6	61	0	0	0	0	109	E231 W304	S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 3.04Å; S229-E231 VanDerWaalsContact O-N 3.13Å; S229-E231 PolarHBondContact OG-O 3.1Å; S229-W304 VanDerWaalsContact N-NE1 3.14Å; S229-W304 WeakPolarHBondContact O-CZ2 3.32Å; S229-W304 PolarHBondContact O-NE1 2.93Å; S229-W304 PolarHBondContact OG-NE1 3.44Å
230	G	84.3	Confident	93.6	Very high	90 Å²	90	45.3 Å²	45.3	93%	0.928	26%	0.256	S	S	*	.	S	Bend	trans	-48.9	-44.8	-173.8	0	0	0	0	0	114.3
231	E	88.1	Confident	93.5	Very high	169 Å²	169	49.9 Å²	49.9	79%	0.79	28%	0.277	S	S	*	.	S	Bend	trans	-120.3	155.4	172.6	-65.9	-178.2	178.2	0	0	111.4	S229 P233 W304	S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 3.04Å; S229-E231 VanDerWaalsContact O-N 3.13Å; S229-E231 PolarHBondContact OG-O 3.1Å; E231-P233 VanDerWaalsContact O-CD 3.32Å; E231-P233 WeakPolarHBondContact O-CD 3.38Å; E231-W304 PolarHBondContact O-NE1 3.47Å
232	K	92.1	Very high	93.4	Very high	91 Å²	91	49.9 Å²	49.9	40%	0.396	28%	0.277	S	S	.	.			trans	-87.6	107.5	171.5	-77.7	-172.6	177.4	-174.1	0	109.7	W304	K232-W304 HydrophobicContact CD-CD2 4.47Å; K232-W304 HydrophobicContact CD-CZ2 4.42Å; K232-W304 VanDerWaalsContact CE-CE3 3.45Å; K232-W304 VanDerWaalsContact CE-CH2 3.45Å; K232-W304 HydrophobicContact CG-CD2 3.92Å; K232-W304 HydrophobicContact CG-CE3 4.42Å; K232-W304 HydrophobicContact CG-CG 4.41Å; K232-W304 HydrophobicContact CG-CH2 4.3Å; K232-W304 HydrophobicContact CG-CZ2 3.73Å
233	P	92.9	Very high	93.2	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	29%	0.285	S	S	.	.			trans	-68.7	167.6	177.5	32	-38	0	0	0	111.5	E231 C235 Q238 C305 S306	E231-P233 VanDerWaalsContact O-CD 3.32Å; E231-P233 WeakPolarHBondContact O-CD 3.38Å; P233-C235 PolarHBondContact O-N 3.04Å; P233-Q238 HydrophobicContact CG-CG 3.95Å; P233-C305 CarbonylContact O-C 3.58Å; P233-C305 VanDerWaalsContact O-CA 3.26Å; P233-C305 WeakPolarHBondContact O-CA 3.43Å; P233-C305 VanDerWaalsContact O-CB 3.29Å; P233-C305 WeakPolarHBondContact O-CB 3.32Å; P233-S306 PolarHBondContact O-N 2.85Å
234	N	93.8	Very high	93	Very high	20 Å²	20	55.4 Å²	55.4	11%	0.107	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-65	132.6	172.3	-172.6	-65.7	0	0	0	110.8	I236 I237 Q238 S306 P309 S310	N234-I236 PolarHBondContact O-N 2.85Å; N234-I236 VanDerWaalsContact OD1-CB 3.28Å; N234-I236 WeakPolarHBondContact OD1-CB 3.48Å; N234-I236 PolarHBondContact OD1-N 2.03Å; N234-I237 HydrophobicContact CB-CD1 3.96Å; N234-I237 HydrophobicContact CB-CG1 4.12Å; N234-I237 WeakPolarHBondContact O-CB 3.08Å; N234-I237 PolarHBondContact O-N 3.09Å; N234-Q238 PolarHBondContact O-N 3.49Å; N234-S306 CarbonylContact C-O 3.59Å; N234-S306 VanDerWaalsContact CA-O 3.28Å; N234-S306 WeakPolarHBondContact CA-O 3.08Å; N234-P309 PolarHBondContact ND2-O 3.3Å; N234-P309 VanDerWaalsContact ND2-O 3.1Å; N234-S310 PolarHBondContact ND2-OG 3.43Å
235	C	96.2	Very high	92.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-31.2	-178	-62.7	0	0	0	0	113.8	P233 I237 Q238 K239 C305 S306 F320	P233-C235 PolarHBondContact O-N 3.04Å; C235-I237 VanDerWaalsContact C-N 3.29Å; C235-I237 PolarHBondContact O-N 2.95Å; C235-Q238 PolarHBondContact O-N 3.43Å; C235-K239 WeakPolarHBondContact O-CB 3.23Å; C235-K239 PolarHBondContact O-N 2.83Å; C235-C305 WeakPolarHBondContact CA-SG 3.28Å; C235-C305 HydrophobicContact CB-CB 3.84Å; C235-C305 WeakPolarHBondContact CB-SG 3.28Å; C235-C305 WeakPolarHBondContact SG-CB 3.4Å; C235-C305 CovalentContact SG-SG 2.03Å; C235-C305 PolarHBondContact SG-SG 3.42Å; C235-S306 PolarHBondContact N-O 3.31Å; C235-S306 PolarHBondContact SG-N 3.33Å; C235-F320 HydrophobicContact CB-CD1 3.61Å; C235-F320 HydrophobicContact CB-CE1 3.76Å
236	I	95.1	Very high	92.8	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-34.8	176.1	-59.5	-57	0	0	0	111.1	N234 K239 K240 E316 C317	N234-I236 PolarHBondContact O-N 2.85Å; N234-I236 VanDerWaalsContact OD1-CB 3.28Å; N234-I236 WeakPolarHBondContact OD1-CB 3.48Å; N234-I236 PolarHBondContact OD1-N 2.03Å; I236-K239 PolarHBondContact O-N 2.55Å; I236-K240 HydrophobicContact CG2-CD 4.35Å; I236-K240 WeakPolarHBondContact O-CG 3.18Å; I236-K240 PolarHBondContact O-N 3.36Å; I236-E316 HydrophobicContact CD1-CB 4.23Å; I236-E316 HydrophobicContact CD1-CG 3.88Å; I236-C317 HydrophobicContact CD1-CB 3.97Å; I236-C317 HydrophobicContact CG1-CB 3.84Å
237	I	92.9	Very high	92.7	Very high	86 Å²	86	57.6 Å²	57.6	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-46.3	175.9	-62.9	174.3	0	0	0	109.8	N234 C235 K239 K240 M241	N234-I237 HydrophobicContact CB-CD1 3.96Å; N234-I237 HydrophobicContact CB-CG1 4.12Å; N234-I237 WeakPolarHBondContact O-CB 3.08Å; N234-I237 PolarHBondContact O-N 3.09Å; C235-I237 VanDerWaalsContact C-N 3.29Å; C235-I237 PolarHBondContact O-N 2.95Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.01Å; I237-K240 PolarHBondContact O-N 3.02Å; I237-M241 HydrophobicContact CG2-CE 3.71Å; I237-M241 HydrophobicContact CG2-SD 4.35Å; I237-M241 WeakPolarHBondContact O-CG 3.5Å; I237-M241 PolarHBondContact O-N 3.05Å
238	Q	93.9	Very high	92.7	Very high	20 Å²	20	57.4 Å²	57.4	9%	0.093	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-40.9	175.6	-74.3	-162.7	6.9	0	0	112.2	P233 N234 C235 K240 M241 C242 T288 W304	P233-Q238 HydrophobicContact CG-CG 3.95Å; N234-Q238 PolarHBondContact O-N 3.49Å; C235-Q238 PolarHBondContact O-N 3.43Å; Q238-K240 PolarHBondContact O-N 2.67Å; Q238-M241 PolarHBondContact O-N 3.49Å; Q238-C242 WeakPolarHBondContact O-CB 3.48Å; Q238-C242 PolarHBondContact O-N 3.44Å; Q238-T288 HydrophobicContact CB-CG2 4.5Å; Q238-T288 PolarHBondContact OE1-O 2.79Å; Q238-W304 PolarHBondContact NE2-O 3.26Å
239	K	94.8	Very high	92.8	Very high	38 Å²	38	56.7 Å²	56.7	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-47.9	174.2	-175.8	-170.9	171.2	-62.5	0	110.9	C235 I236 I237 M241 C242 D243 F320	C235-K239 WeakPolarHBondContact O-CB 3.23Å; C235-K239 PolarHBondContact O-N 2.83Å; I236-K239 PolarHBondContact O-N 2.55Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.01Å; K239-M241 PolarHBondContact O-N 3.29Å; K239-C242 WeakPolarHBondContact O-CB 3.3Å; K239-C242 PolarHBondContact O-N 2.01Å; K239-C242 VanDerWaalsContact O-N 3.15Å; K239-D243 IonicContact NZ-OD1 3.94Å; K239-D243 IonicContact NZ-OD2 2.71Å; K239-D243 PolarHBondContact NZ-OD2 2.96Å; K239-D243 WeakPolarHBondContact O-CB 3.23Å; K239-D243 PolarHBondContact O-N 2.72Å; K239-F320 HydrophobicContact CB-CD2 4.4Å; K239-F320 HydrophobicContact CB-CE2 4.17Å; K239-F320 HydrophobicContact CB-CZ 4.43Å; K239-F320 HydrophobicContact CD-CD2 3.98Å; K239-F320 HydrophobicContact CD-CE2 4.41Å; K239-F320 HydrophobicContact CG-CD2 4.23Å; K239-F320 HydrophobicContact CG-CE2 4.16Å
240	K	93.8	Very high	93.2	Very high	139 Å²	139	54.2 Å²	54.2	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-60.7	-42.2	177	-74.3	174.3	-179.8	177.8	0	112.6	I236 I237 Q238 C242 D243 A244	I236-K240 HydrophobicContact CG2-CD 4.35Å; I236-K240 WeakPolarHBondContact O-CG 3.18Å; I236-K240 PolarHBondContact O-N 3.36Å; I237-K240 PolarHBondContact O-N 3.02Å; Q238-K240 PolarHBondContact O-N 2.67Å; K240-C242 VanDerWaalsContact C-N 3.32Å; K240-D243 PolarHBondContact O-N 3.45Å; K240-A244 PolarHBondContact O-N 2.86Å
241	M	95.1	Very high	93.8	Very high	114 Å²	114	50 Å²	50	56%	0.562	25%	0.252	S	S	*	.	H	α-helix	trans	-63.8	-38.6	174.9	-70.8	177	179.4	0	0	111.9	I237 Q238 K239 A244 D245 T288	I237-M241 HydrophobicContact CG2-CE 3.71Å; I237-M241 HydrophobicContact CG2-SD 4.35Å; I237-M241 WeakPolarHBondContact O-CG 3.5Å; I237-M241 PolarHBondContact O-N 3.05Å; Q238-M241 PolarHBondContact O-N 3.49Å; K239-M241 PolarHBondContact O-N 3.29Å; M241-A244 PolarHBondContact O-N 3.19Å; M241-D245 PolarHBondContact O-N 3.27Å; M241-T288 HydrophobicContact CB-CG2 3.89Å
242	C	95.7	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.2	-43.3	175.3	-173	0	0	0	0	112.1	Q238 K239 K240 A244 D245 C248 R249 I289	Q238-C242 WeakPolarHBondContact O-CB 3.48Å; Q238-C242 PolarHBondContact O-N 3.44Å; K239-C242 WeakPolarHBondContact O-CB 3.3Å; K239-C242 PolarHBondContact O-N 2.01Å; K239-C242 VanDerWaalsContact O-N 3.15Å; K240-C242 VanDerWaalsContact C-N 3.32Å; C242-A244 PolarHBondContact O-N 2.93Å; C242-D245 PolarHBondContact O-N 3.01Å; C242-C248 VanDerWaalsContact CA-SG 3.52Å; C242-C248 HydrophobicContact CB-CB 3.99Å; C242-C248 WeakPolarHBondContact CB-SG 3.41Å; C242-C248 WeakPolarHBondContact SG-CB 3.31Å; C242-C248 PolarHBondContact SG-O 2.84Å; C242-C248 VanDerWaalsContact SG-O 3.4Å; C242-C248 CovalentContact SG-SG 2.03Å; C242-C248 PolarHBondContact SG-SG 3.49Å; C242-R249 PolarHBondContact O-N 3.05Å; C242-I289 HydrophobicContact CB-CD1 3.53Å; C242-I289 HydrophobicContact CB-CG1 3.89Å; C242-I289 WeakPolarHBondContact SG-CD1 3.45Å
243	D	92	Very high	94.2	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-26.8	178.4	-68.5	-24.2	0	0	0	112	K239 K240 R249	K239-D243 IonicContact NZ-OD1 3.94Å; K239-D243 IonicContact NZ-OD2 2.71Å; K239-D243 PolarHBondContact NZ-OD2 2.96Å; K239-D243 WeakPolarHBondContact O-CB 3.23Å; K239-D243 PolarHBondContact O-N 2.72Å; K240-D243 PolarHBondContact O-N 3.45Å; D243-R249 WeakPolarHBondContact O-CD 3.35Å
244	A	91.4	Very high	94.2	Very high	84 Å²	84	36.7 Å²	36.7	69%	0.694	19%	0.189	S	C	*	.	H	α-helix	trans	-80.9	-20.1	174.9	0	0	0	0	0	114	K240 M241 C242	K240-A244 PolarHBondContact O-N 2.86Å; M241-A244 PolarHBondContact O-N 3.19Å; C242-A244 PolarHBondContact O-N 2.93Å
245	D	93.2	Very high	94.3	Very high	56 Å²	56	35.8 Å²	35.8	30%	0.299	18%	0.184	S	C	.	.	S	Bend	trans	-97.2	118.7	176.6	179.4	-98.9	0	0	0	110.6	M241 C242 V247 C248 R249	M241-D245 PolarHBondContact O-N 3.27Å; C242-D245 PolarHBondContact O-N 3.01Å; D245-V247 PolarHBondContact O-N 3.06Å; D245-V247 WeakPolarHBondContact OD1-CB 3.44Å; D245-V247 PolarHBondContact OD1-N 3.2Å; D245-V247 VanDerWaalsContact OD1-N 3.13Å; D245-C248 HydrophobicContact CB-CB 4Å; D245-C248 PolarHBondContact O-N 2.8Å; D245-C248 WeakPolarHBondContact OD1-CB 3.31Å; D245-C248 PolarHBondContact OD1-N 3.49Å; D245-R249 VanDerWaalsContact O-CB 3.26Å; D245-R249 WeakPolarHBondContact O-CB 2.94Å; D245-R249 PolarHBondContact O-N 2.94Å
246	Y	92.3	Very high	94.2	Very high	61 Å²	61	38.2 Å²	38.2	24%	0.239	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-37.2	-176.5	-72.4	-53.7	0	0	0	113.3	K91 S95 W98 S250	K91-Y246 HydrophobicContact CG-CD2 4.35Å; S95-Y246 WeakPolarHBondContact OG-CE2 3.35Å; W98-Y246 HydrophobicContact CB-CD1 4Å; W98-Y246 HydrophobicContact CB-CE1 3.69Å; W98-Y246 AromaticContact CD1-CD1 3.48Å; W98-Y246 VanDerWaalsContact CD1-CD1 3.48Å; W98-Y246 AromaticContact CG-CD1 3.96Å; W98-Y246 HydrophobicContact CG-CD1 3.96Å; W98-Y246 HydrophobicContact CG-CE1 4.14Å; Y246-S250 VanDerWaalsContact O-CB 3.23Å; Y246-S250 WeakPolarHBondContact O-CB 3.29Å; Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.78Å
247	V	94.3	Very high	94	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-51.9	-179.2	179.4	0	0	0	0	109.6	L94 D245 S250 R251	L94-V247 HydrophobicContact CD1-CB 4.44Å; L94-V247 HydrophobicContact CD1-CG2 3.99Å; D245-V247 PolarHBondContact O-N 3.06Å; D245-V247 WeakPolarHBondContact OD1-CB 3.44Å; D245-V247 PolarHBondContact OD1-N 3.2Å; D245-V247 VanDerWaalsContact OD1-N 3.13Å; V247-S250 PolarHBondContact O-N 3.37Å; V247-R251 HydrophobicContact CG1-CG 4.46Å; V247-R251 VanDerWaalsContact CG1-NE 3.32Å; V247-R251 VanDerWaalsContact O-CG 3.31Å; V247-R251 WeakPolarHBondContact O-CG 3.22Å; V247-R251 PolarHBondContact O-N 2.71Å
248	C	96.2	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-51.1	-179.8	-168.2	0	0	0	0	111.9	C242 D245 S250 R251 L252	C242-C248 VanDerWaalsContact CA-SG 3.52Å; C242-C248 HydrophobicContact CB-CB 3.99Å; C242-C248 WeakPolarHBondContact CB-SG 3.41Å; C242-C248 WeakPolarHBondContact SG-CB 3.31Å; C242-C248 PolarHBondContact SG-O 2.84Å; C242-C248 VanDerWaalsContact SG-O 3.4Å; C242-C248 CovalentContact SG-SG 2.03Å; C242-C248 PolarHBondContact SG-SG 3.49Å; D245-C248 HydrophobicContact CB-CB 4Å; D245-C248 PolarHBondContact O-N 2.8Å; D245-C248 WeakPolarHBondContact OD1-CB 3.31Å; D245-C248 PolarHBondContact OD1-N 3.49Å; C248-S250 VanDerWaalsContact C-N 3.26Å; C248-S250 PolarHBondContact O-N 2.76Å; C248-R251 PolarHBondContact O-N 3.42Å; C248-L252 WeakPolarHBondContact O-CB 3.4Å; C248-L252 PolarHBondContact O-N 2.76Å
249	R	94.9	Very high	93.9	Very high	52 Å²	52	36.7 Å²	36.7	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-52.1	-46.6	177.1	-178.2	-176.5	174.6	174.5	-2.2	111.7	W98 C242 D243 D245 A253	W98-R249 HydrophobicContact CH2-CG 4.34Å; W98-R249 HydrophobicContact CZ2-CG 3.84Å; C242-R249 PolarHBondContact O-N 3.05Å; D243-R249 WeakPolarHBondContact O-CD 3.35Å; D245-R249 VanDerWaalsContact O-CB 3.26Å; D245-R249 WeakPolarHBondContact O-CB 2.94Å; D245-R249 PolarHBondContact O-N 2.94Å; R249-A253 WeakPolarHBondContact O-CB 3.31Å; R249-A253 PolarHBondContact O-N 3.36Å
250	S	94.6	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-43.3	-178.4	-57.8	0	0	0	0	112.6	L94 W98 P115 Y246 V247 C248 A253 Q254	L94-S250 WeakPolarHBondContact CD2-OG 3.4Å; W98-S250 PolarHBondContact NE1-OG 2.78Å; P115-S250 VanDerWaalsContact CG-CB 3.41Å; P115-S250 VanDerWaalsContact CG-OG 3.3Å; P115-S250 WeakPolarHBondContact CG-OG 3.36Å; Y246-S250 VanDerWaalsContact O-CB 3.23Å; Y246-S250 WeakPolarHBondContact O-CB 3.29Å; Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.78Å; V247-S250 PolarHBondContact O-N 3.37Å; C248-S250 VanDerWaalsContact C-N 3.26Å; C248-S250 PolarHBondContact O-N 2.76Å; S250-A253 PolarHBondContact O-N 3.04Å; S250-Q254 PolarHBondContact O-N 2.03Å
251	R	95.6	Very high	93.8	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-70.7	-36.4	179.7	-64	-171	-168.8	-164.7	-7.1	111.5	E90 Y116 D193 V247 C248 Q254 F255 G283 L284	E90-R251 IonicContact OE1-NE 3.95Å; E90-R251 IonicContact OE1-NH2 3.76Å; E90-R251 PolarHBondContact OE1-NH2 3.32Å; E90-R251 IonicContact OE2-NH2 3.65Å; Y116-R251 HydrophobicContact CE2-CG 3.71Å; D193-R251 IonicContact OD1-CZ 3.97Å; D193-R251 IonicContact OD1-NH1 3.75Å; D193-R251 IonicContact OD1-NH2 2.89Å; D193-R251 PolarHBondContact OD1-NH2 3.1Å; D193-R251 IonicContact OD2-CZ 3.75Å; D193-R251 IonicContact OD2-NH1 2.89Å; D193-R251 IonicContact OD2-NH2 2.77Å; D193-R251 PolarHBondContact OD2-NH2 3.39Å; V247-R251 HydrophobicContact CG1-CG 4.46Å; V247-R251 VanDerWaalsContact CG1-NE 3.32Å; V247-R251 VanDerWaalsContact O-CG 3.31Å; V247-R251 WeakPolarHBondContact O-CG 3.22Å; V247-R251 PolarHBondContact O-N 2.71Å; C248-R251 PolarHBondContact O-N 3.42Å; R251-Q254 PolarHBondContact O-N 3.47Å; R251-F255 WeakPolarHBondContact O-CB 3.5Å; R251-F255 PolarHBondContact O-N 2.82Å; R251-G283 WeakPolarHBondContact CD-O 3.27Å; R251-G283 PolarHBondContact NH1-O 3.48Å; R251-L284 HydrophobicContact CB-CD2 4.01Å
252	L	96.1	Very high	93.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-41.4	173.3	-174.9	65.9	0	0	0	112.4	C248 F255 R256 L284 I289 F320 F324	C248-L252 WeakPolarHBondContact O-CB 3.4Å; C248-L252 PolarHBondContact O-N 2.76Å; L252-F255 PolarHBondContact O-N 3.45Å; L252-R256 WeakPolarHBondContact O-CG 3.4Å; L252-R256 PolarHBondContact O-N 3.08Å; L252-L284 HydrophobicContact CB-CD2 4.32Å; L252-L284 HydrophobicContact CD1-CD2 4.47Å; L252-I289 HydrophobicContact CD1-CD1 3.88Å; L252-I289 HydrophobicContact CD2-CD1 3.48Å; L252-I289 VanDerWaalsContact CD2-CD1 3.48Å; L252-I289 HydrophobicContact CG-CD1 4.2Å; L252-F320 HydrophobicContact CD1-CE2 4.32Å; L252-F320 HydrophobicContact CD2-CE2 4.31Å; L252-F324 HydrophobicContact CD1-CZ 4.33Å
253	A	94	Very high	93.3	Very high	11 Å²	11	40 Å²	40	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-45.3	174.9	0	0	0	0	0	111.4	R249 S250 F255 R256 F257	R249-A253 WeakPolarHBondContact O-CB 3.31Å; R249-A253 PolarHBondContact O-N 3.36Å; S250-A253 PolarHBondContact O-N 3.04Å; A253-F255 PolarHBondContact O-N 2.97Å; A253-R256 PolarHBondContact O-N 3.21Å; A253-F257 WeakPolarHBondContact O-CB 3Å; A253-F257 PolarHBondContact O-N 2.04Å; A253-F257 VanDerWaalsContact O-N 3.07Å
254	Q	93.3	Very high	93.2	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-47.8	175.2	-177.3	175.8	44.3	0	0	111.8	Y114 S250 R251 R256 F257 V258 A280	Y114-Q254 HydrophobicContact CD2-CB 3.82Å; Y114-Q254 HydrophobicContact CD2-CG 3.76Å; Y114-Q254 HydrophobicContact CE2-CB 4.4Å; Y114-Q254 HydrophobicContact CE2-CG 3.83Å; Y114-Q254 HydrophobicContact CG-CB 3.98Å; Y114-Q254 HydrophobicContact CG-CG 4.26Å; S250-Q254 PolarHBondContact O-N 2.03Å; R251-Q254 PolarHBondContact O-N 3.47Å; Q254-R256 PolarHBondContact O-N 2.96Å; Q254-F257 PolarHBondContact O-N 3.13Å; Q254-V258 HydrophobicContact CG-CG2 4.16Å; Q254-V258 WeakPolarHBondContact O-CB 3.04Å; Q254-V258 WeakPolarHBondContact O-CG2 3.29Å; Q254-V258 PolarHBondContact O-N 2.96Å; Q254-A280 HydrophobicContact CG-CB 4.11Å
255	F	95.2	Very high	93	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-47.1	177.8	172	-107.4	0	0	0	112.4	R251 L252 A253 F257 C259 A280 Y281 L284 F323 F324 L330	R251-F255 WeakPolarHBondContact O-CB 3.5Å; R251-F255 PolarHBondContact O-N 2.82Å; L252-F255 PolarHBondContact O-N 3.45Å; A253-F255 PolarHBondContact O-N 2.97Å; F255-F257 VanDerWaalsContact C-N 3.31Å; F255-F257 PolarHBondContact O-N 3.48Å; F255-C259 HydrophobicContact CD2-CB 4.14Å; F255-C259 VanDerWaalsContact CD2-SG 3.53Å; F255-C259 HydrophobicContact CE2-CB 3.96Å; F255-C259 VanDerWaalsContact CE2-SG 3.53Å; F255-C259 WeakPolarHBondContact O-CB 3.26Å; F255-C259 PolarHBondContact O-N 3.43Å; F255-A280 HydrophobicContact CB-CB 4.29Å; F255-Y281 HydrophobicContact CE2-CD2 4.13Å; F255-L284 HydrophobicContact CB-CD1 3.99Å; F255-L284 HydrophobicContact CB-CD2 4.44Å; F255-L284 HydrophobicContact CB-CG 4.36Å; F255-L284 HydrophobicContact CD1-CD1 3.89Å; F255-L284 HydrophobicContact CD2-CD1 4.15Å; F255-L284 HydrophobicContact CE1-CD1 4.42Å; F255-L284 HydrophobicContact CG-CD1 3.74Å; F255-F323 HydrophobicContact CE1-CB 4.1Å; F255-F323 WeakPolarHBondContact CZ-O 3.4Å; F255-F324 HydrophobicContact CD1-CE1 4.13Å; F255-F324 HydrophobicContact CD1-CZ 4.15Å; F255-F324 AromaticContact CE1-CD1 3.9Å; F255-F324 HydrophobicContact CE1-CD1 3.9Å; F255-F324 AromaticContact CE1-CE1 3.52Å; F255-F324 HydrophobicContact CE1-CE1 3.52Å; F255-F324 HydrophobicContact CE1-CE2 4.32Å; F255-F324 HydrophobicContact CE1-CG 4.44Å; F255-F324 AromaticContact CE1-CZ 3.75Å; F255-F324 HydrophobicContact CE1-CZ 3.75Å; F255-F324 AromaticContact CZ-CD1 3.92Å; F255-F324 HydrophobicContact CZ-CD1 3.92Å; F255-F324 AromaticContact CZ-CE1 3.88Å; F255-F324 HydrophobicContact CZ-CE1 3.88Å; F255-L330 HydrophobicContact CE2-CD1 4.49Å; F255-L330 HydrophobicContact CE2-CD2 4.26Å; F255-L330 HydrophobicContact CZ-CD2 4.06Å
256	R	94.3	Very high	92.7	Very high	52 Å²	52	44.8 Å²	44.8	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-37.4	179.4	-75.3	-177.8	-178.1	150.1	10.3	113.2	L252 A253 Q254 E260 F320 F323	L252-R256 WeakPolarHBondContact O-CG 3.4Å; L252-R256 PolarHBondContact O-N 3.08Å; A253-R256 PolarHBondContact O-N 3.21Å; Q254-R256 PolarHBondContact O-N 2.96Å; R256-E260 WeakPolarHBondContact O-CB 3.43Å; R256-E260 PolarHBondContact O-N 3.36Å; R256-F320 VanDerWaalsContact NH2-CD2 3.26Å; R256-F323 HydrophobicContact CG-CD1 4.37Å; R256-F323 HydrophobicContact CG-CD2 4.33Å; R256-F323 HydrophobicContact CG-CE1 4.32Å; R256-F323 HydrophobicContact CG-CE2 4.3Å; R256-F323 HydrophobicContact CG-CG 4.39Å; R256-F323 HydrophobicContact CG-CZ 4.29Å
257	F	91.5	Very high	92.3	Very high	70 Å²	70	42.9 Å²	42.9	31%	0.307	24%	0.238	S	C	.	.	H	α-helix	trans	-73	-54.4	-179.8	-175.7	-83.8	0	0	0	111.3	Y114 A253 Q254 F255 E260 E271	Y114-F257 HydrophobicContact CD1-CB 3.9Å; Y114-F257 AromaticContact CD1-CD1 3.92Å; Y114-F257 HydrophobicContact CD1-CD1 3.92Å; Y114-F257 AromaticContact CD1-CG 3.85Å; Y114-F257 HydrophobicContact CD1-CG 3.85Å; Y114-F257 HydrophobicContact CE1-CB 4.2Å; Y114-F257 AromaticContact CE1-CD1 3.4Å; Y114-F257 HydrophobicContact CE1-CD1 3.4Å; Y114-F257 AromaticContact CE1-CE1 3.89Å; Y114-F257 HydrophobicContact CE1-CE1 3.89Å; Y114-F257 AromaticContact CE1-CG 3.84Å; Y114-F257 HydrophobicContact CE1-CG 3.84Å; A253-F257 WeakPolarHBondContact O-CB 3Å; A253-F257 PolarHBondContact O-N 2.04Å; A253-F257 VanDerWaalsContact O-N 3.07Å; Q254-F257 PolarHBondContact O-N 3.13Å; F255-F257 VanDerWaalsContact C-N 3.31Å; F255-F257 PolarHBondContact O-N 3.48Å; F257-E260 WeakPolarHBondContact O-CB 3.44Å; F257-E260 PolarHBondContact O-N 3.4Å; F257-E271 HydrophobicContact CD1-CG 4.47Å; F257-E271 HydrophobicContact CE1-CG 4.12Å
258	V	89.9	Confident	92	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-72.5	-35.4	-172.4	179	0	0	0	0	111.8	Y114 Q254 E260 A276 C277 A280	Y114-V258 HydrophobicContact CE1-CG2 4.25Å; Q254-V258 HydrophobicContact CG-CG2 4.16Å; Q254-V258 WeakPolarHBondContact O-CB 3.04Å; Q254-V258 WeakPolarHBondContact O-CG2 3.29Å; Q254-V258 PolarHBondContact O-N 2.96Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-A276 VanDerWaalsContact CG1-C 3.45Å; V258-A276 HydrophobicContact CG1-CB 3.54Å; V258-C277 HydrophobicContact CG1-CB 4.35Å; V258-A280 HydrophobicContact CB-CB 4.46Å
259	C	93.7	Very high	91.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	22.6	176.4	-57.6	0	0	0	0	112.8	F255 P261 C277 N327	F255-C259 HydrophobicContact CD2-CB 4.14Å; F255-C259 VanDerWaalsContact CD2-SG 3.53Å; F255-C259 HydrophobicContact CE2-CB 3.96Å; F255-C259 VanDerWaalsContact CE2-SG 3.53Å; F255-C259 WeakPolarHBondContact O-CB 3.26Å; F255-C259 PolarHBondContact O-N 3.43Å; C259-P261 WeakPolarHBondContact O-CD 3.35Å; C259-C277 HydrophobicContact CB-CB 4.14Å; C259-C277 WeakPolarHBondContact CB-SG 3.46Å; C259-C277 WeakPolarHBondContact SG-CA 3.43Å; C259-C277 WeakPolarHBondContact SG-CB 3.44Å; C259-C277 PolarHBondContact SG-O 3.48Å; C259-C277 VanDerWaalsContact SG-O 3.34Å; C259-C277 CovalentContact SG-SG 2.04Å; C259-C277 PolarHBondContact SG-SG 3.14Å; C259-N327 PolarHBondContact O-ND2 2.96Å; C259-N327 PolarHBondContact O-OD1 3.01Å
260	E	93.1	Very high	91.4	Very high	68 Å²	68	45.4 Å²	45.4	32%	0.318	25%	0.251	S	S	.	.			trans	-62.4	120.6	178.4	-167.7	-179.9	155.8	0	0	109.6	R256 F257 V258 K270	R256-E260 WeakPolarHBondContact O-CB 3.43Å; R256-E260 PolarHBondContact O-N 3.36Å; F257-E260 WeakPolarHBondContact O-CB 3.44Å; F257-E260 PolarHBondContact O-N 3.4Å; V258-E260 VanDerWaalsContact C-N 3.32Å; E260-K270 HydrophobicContact CB-CB 4.16Å; E260-K270 HydrophobicContact CB-CD 4.23Å; E260-K270 HydrophobicContact CG-CD 4.06Å; E260-K270 WeakPolarHBondContact O-CB 3.36Å; E260-K270 PolarHBondContact O-N 3.05Å; E260-K270 WeakPolarHBondContact OE1-CD 3.47Å; E260-K270 IonicContact OE1-NZ 2.85Å; E260-K270 PolarHBondContact OE1-NZ 2.97Å; E260-K270 VanDerWaalsContact OE2-CD 3.25Å; E260-K270 WeakPolarHBondContact OE2-CD 3.37Å; E260-K270 IonicContact OE2-NZ 2.75Å; E260-K270 PolarHBondContact OE2-NZ 3.29Å
261	P	93.4	Very high	90.8	Very high	55 Å²	55	50.2 Å²	50.2	36%	0.357	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-71.6	141.3	-179.2	28.8	-33.6	0	0	0	110.7	C259 G268	C259-P261 WeakPolarHBondContact O-CD 3.35Å; P261-G268 WeakPolarHBondContact CA-O 3.39Å
262	S	92.1	Very high	90	Very high	21 Å²	21	52 Å²	52	15%	0.147	29%	0.292	C	S	.	.			trans	-131.7	127	174.5	176.1	0	0	0	0	110.6	T264 S265 G268	S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact OG-N 3.5Å; S262-T264 PolarHBondContact OG-OG1 2.84Å; S262-S265 PolarHBondContact OG-N 3.11Å; S262-G268 PolarHBondContact N-O 3.37Å; S262-G268 CarbonylContact O-C 3.57Å; S262-G268 WeakPolarHBondContact O-CA 3.49Å
263	K	88.6	Confident	89.5	Confident	217 Å²	217	54.9 Å²	54.9	94%	0.943	31%	0.308	S	S	*	.	S	Bend	trans	-77.5	-18.4	175.8	-63.9	-175.2	-179.9	-178.1	0	113.1
264	T	88.8	Confident	89.3	Confident	140 Å²	140	57 Å²	57	86%	0.859	31%	0.314	S	S	*	.	S	Bend	trans	-92	-18.3	-178.3	55.7	0	0	0	0	112.5	S262	S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact OG-N 3.5Å; S262-T264 PolarHBondContact OG-OG1 2.84Å
265	S	89.1	Confident	89	Confident	39 Å²	39	56.7 Å²	56.7	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-85.7	135.1	178.2	-179.7	0	0	0	0	111.2	S262 S267 G268 C269	S262-S265 PolarHBondContact OG-N 3.11Å; S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-N 3.48Å; S265-S267 PolarHBondContact OG-OG 3.37Å; S265-G268 PolarHBondContact O-N 3.41Å; S265-C269 WeakPolarHBondContact CB-O 3.31Å; S265-C269 PolarHBondContact OG-O 3.24Å
266	A	84.9	Confident	88.7	Confident	113 Å²	113	57.8 Å²	57.8	93%	0.934	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.1	176.5	0	0	0	0	0	112.9	G268	A266-G268 VanDerWaalsContact C-N 3.26Å; A266-G268 PolarHBondContact O-N 3.2Å
267	S	84.6	Confident	88.7	Confident	21 Å²	21	55.3 Å²	55.3	15%	0.147	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.4	175.1	61.3	0	0	0	0	113	S265 C269 Y274 N332	S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-N 3.48Å; S265-S267 PolarHBondContact OG-OG 3.37Å; S267-C269 PolarHBondContact O-N 2.89Å; S267-C269 PolarHBondContact OG-N 2.92Å; S267-C269 PolarHBondContact OG-O 3.33Å; S267-Y274 VanDerWaalsContact CA-OH 3.24Å; S267-Y274 WeakPolarHBondContact CA-OH 3.36Å; S267-Y274 WeakPolarHBondContact CB-OH 3.05Å; S267-Y274 WeakPolarHBondContact O-CE1 3.34Å; S267-Y274 PolarHBondContact O-OH 3.38Å; S267-N332 PolarHBondContact O-ND2 3.48Å
268	G	88.3	Confident	88.8	Confident	7 Å²	7	52 Å²	52	7%	0.072	30%	0.299	C	S	.	.	S	Bend	trans	73.3	-1.8	-170.1	0	0	0	0	0	114	P261 S262 S265 A266 S328 C329	P261-G268 WeakPolarHBondContact CA-O 3.39Å; S262-G268 PolarHBondContact N-O 3.37Å; S262-G268 CarbonylContact O-C 3.57Å; S262-G268 WeakPolarHBondContact O-CA 3.49Å; S265-G268 PolarHBondContact O-N 3.41Å; A266-G268 VanDerWaalsContact C-N 3.26Å; A266-G268 PolarHBondContact O-N 3.2Å; G268-S328 PolarHBondContact O-OG 2.66Å; G268-C329 WeakPolarHBondContact O-CB 3.38Å
269	C	88.9	Confident	89	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-106.4	140	175.6	-60.5	0	0	0	0	110.6	S265 S267 C329	S265-C269 WeakPolarHBondContact CB-O 3.31Å; S265-C269 PolarHBondContact OG-O 3.24Å; S267-C269 PolarHBondContact O-N 2.89Å; S267-C269 PolarHBondContact OG-N 2.92Å; S267-C269 PolarHBondContact OG-O 3.33Å; C269-C329 VanDerWaalsContact CA-SG 3.59Å; C269-C329 HydrophobicContact CB-CB 3.83Å; C269-C329 WeakPolarHBondContact CB-SG 2.99Å; C269-C329 WeakPolarHBondContact SG-CA 3.32Å; C269-C329 WeakPolarHBondContact SG-CB 3.46Å; C269-C329 CovalentContact SG-SG 2.03Å; C269-C329 PolarHBondContact SG-SG 3.08Å
270	K	88.8	Confident	89	Confident	113 Å²	113	52.8 Å²	52.8	49%	0.491	30%	0.302	S	S	.	.	S	Bend	trans	-66.9	-46.8	175.3	-173	178.3	177.1	-178.3	0	112.8	E260 G272	E260-K270 HydrophobicContact CB-CB 4.16Å; E260-K270 HydrophobicContact CB-CD 4.23Å; E260-K270 HydrophobicContact CG-CD 4.06Å; E260-K270 WeakPolarHBondContact O-CB 3.36Å; E260-K270 PolarHBondContact O-N 3.05Å; E260-K270 WeakPolarHBondContact OE1-CD 3.47Å; E260-K270 IonicContact OE1-NZ 2.85Å; E260-K270 PolarHBondContact OE1-NZ 2.97Å; E260-K270 VanDerWaalsContact OE2-CD 3.25Å; E260-K270 WeakPolarHBondContact OE2-CD 3.37Å; E260-K270 IonicContact OE2-NZ 2.75Å; E260-K270 PolarHBondContact OE2-NZ 3.29Å; K270-G272 VanDerWaalsContact C-N 3.33Å
271	E	83.3	Confident	89.2	Confident	101 Å²	101	49.5 Å²	49.5	47%	0.472	29%	0.287	S	S	.	.	S	Bend	trans	-79.5	-15.3	177.3	-61.9	-58.9	123.3	0	0	113.1	F257 N273	F257-E271 HydrophobicContact CD1-CG 4.47Å; F257-E271 HydrophobicContact CE1-CG 4.12Å; E271-N273 VanDerWaalsContact C-N 3.26Å; E271-N273 PolarHBondContact O-N 3.3Å
272	G	78.8	Confident	89.4	Confident	38 Å²	38	47 Å²	47	39%	0.392	27%	0.271	S	S	.	.			trans	76.7	-8	176.2	0	0	0	0	0	117.1	K270	K270-G272 VanDerWaalsContact C-N 3.33Å
273	N	84.3	Confident	89.6	Confident	64 Å²	64	46 Å²	46	34%	0.342	26%	0.264	S	S	.	.			trans	-99.8	104.7	-175.5	-172	-30.2	0	0	0	112.9	E271 G275 A276 C277	E271-N273 VanDerWaalsContact C-N 3.26Å; E271-N273 PolarHBondContact O-N 3.3Å; N273-G275 PolarHBondContact OD1-N 2.9Å; N273-A276 HydrophobicContact CB-CB 3.96Å; N273-A276 PolarHBondContact OD1-N 2.04Å; N273-C277 PolarHBondContact O-N 2.94Å
274	Y	89.7	Confident	90.1	Very high	55 Å²	55	35.6 Å²	35.6	22%	0.216	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-40.4	177.7	-63.3	-42.3	0	0	0	113.3	S267 A276 C277 L278 N332 A333 M336	S267-Y274 VanDerWaalsContact CA-OH 3.24Å; S267-Y274 WeakPolarHBondContact CA-OH 3.36Å; S267-Y274 WeakPolarHBondContact CB-OH 3.05Å; S267-Y274 WeakPolarHBondContact O-CE1 3.34Å; S267-Y274 PolarHBondContact O-OH 3.38Å; Y274-A276 VanDerWaalsContact C-N 3.33Å; Y274-A276 PolarHBondContact O-N 3.37Å; Y274-C277 PolarHBondContact O-N 2.95Å; Y274-C277 VanDerWaalsContact O-N 3.16Å; Y274-L278 WeakPolarHBondContact O-CG 3.17Å; Y274-L278 PolarHBondContact O-N 3.19Å; Y274-N332 HydrophobicContact CE1-CB 3.83Å; Y274-A333 HydrophobicContact CD1-CB 3.66Å; Y274-A333 HydrophobicContact CG-CB 4.02Å; Y274-M336 HydrophobicContact CD2-CB 4.05Å; Y274-M336 HydrophobicContact CD2-CG 4.13Å; Y274-M336 HydrophobicContact CE2-CB 4.06Å; Y274-M336 HydrophobicContact CE2-CG 3.62Å
275	G	88.5	Confident	90.5	Very high	4 Å²	4	29 Å²	29	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-42.8	179.5	0	0	0	0	0	112.2	N273 C277 L278 L279	N273-G275 PolarHBondContact OD1-N 2.9Å; G275-C277 PolarHBondContact O-N 3.1Å; G275-L278 PolarHBondContact O-N 3.08Å; G275-L279 WeakPolarHBondContact O-CB 3.49Å; G275-L279 PolarHBondContact O-N 3.07Å
276	A	88.9	Confident	90.8	Very high	24 Å²	24	27.1 Å²	27.1	20%	0.198	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-40.2	174.8	0	0	0	0	0	112	V258 N273 Y274 L279 A280	V258-A276 VanDerWaalsContact CG1-C 3.45Å; V258-A276 HydrophobicContact CG1-CB 3.54Å; N273-A276 HydrophobicContact CB-CB 3.96Å; N273-A276 PolarHBondContact OD1-N 2.04Å; Y274-A276 VanDerWaalsContact C-N 3.33Å; Y274-A276 PolarHBondContact O-N 3.37Å; A276-L279 PolarHBondContact O-N 3.09Å; A276-A280 WeakPolarHBondContact O-CB 3.02Å; A276-A280 PolarHBondContact O-N 3.01Å
277	C	93.2	Very high	91.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.1	175.9	0	0	0	0	112	V258 C259 N273 Y274 G275 L279 A280 Y281	V258-C277 HydrophobicContact CG1-CB 4.35Å; C259-C277 HydrophobicContact CB-CB 4.14Å; C259-C277 WeakPolarHBondContact CB-SG 3.46Å; C259-C277 WeakPolarHBondContact SG-CA 3.43Å; C259-C277 WeakPolarHBondContact SG-CB 3.44Å; C259-C277 PolarHBondContact SG-O 3.48Å; C259-C277 VanDerWaalsContact SG-O 3.34Å; C259-C277 CovalentContact SG-SG 2.04Å; C259-C277 PolarHBondContact SG-SG 3.14Å; N273-C277 PolarHBondContact O-N 2.94Å; Y274-C277 PolarHBondContact O-N 2.95Å; Y274-C277 VanDerWaalsContact O-N 3.16Å; G275-C277 PolarHBondContact O-N 3.1Å; C277-L279 PolarHBondContact O-N 3.37Å; C277-A280 PolarHBondContact O-N 2.66Å; C277-Y281 PolarHBondContact O-N 3.19Å
278	L	94.6	Very high	91.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-39.8	176.3	-67.6	177.6	0	0	0	112	F205 Y274 G275 A280 Y281 T282 A333 L334 F337	F205-L278 HydrophobicContact CD2-CD1 4.27Å; F205-L278 HydrophobicContact CD2-CD2 4.17Å; F205-L278 HydrophobicContact CE1-CD2 4.31Å; F205-L278 HydrophobicContact CE2-CB 3.86Å; F205-L278 HydrophobicContact CE2-CD1 4.39Å; F205-L278 HydrophobicContact CE2-CD2 3.87Å; F205-L278 HydrophobicContact CE2-CG 4.24Å; F205-L278 HydrophobicContact CZ-CB 4.37Å; F205-L278 HydrophobicContact CZ-CD2 3.91Å; Y274-L278 WeakPolarHBondContact O-CG 3.17Å; Y274-L278 PolarHBondContact O-N 3.19Å; G275-L278 PolarHBondContact O-N 3.08Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.93Å; L278-Y281 WeakPolarHBondContact O-CB 3.43Å; L278-Y281 PolarHBondContact O-N 3.33Å; L278-T282 WeakPolarHBondContact O-CG2 3.29Å; L278-T282 PolarHBondContact O-N 3.38Å; L278-T282 PolarHBondContact O-OG1 3.13Å; L278-A333 HydrophobicContact CD2-CB 4.02Å; L278-A333 HydrophobicContact CG-CB 4.06Å; L278-L334 HydrophobicContact CD2-CD2 3.75Å; L278-L334 HydrophobicContact CD2-CG 4.19Å; L278-F337 HydrophobicContact CD1-CB 3.88Å; L278-F337 HydrophobicContact CD1-CD2 4.01Å; L278-F337 HydrophobicContact CD1-CG 4.07Å
279	L	93.4	Very high	92.3	Very high	26 Å²	26	23.6 Å²	23.6	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-41.1	173.8	-175.3	73.8	0	0	0	111.8	R85 V119 Y123 G275 A276 C277 Y281 T282 G283	R85-L279 PolarHBondContact NH1-O 3.08Å; V119-L279 HydrophobicContact CB-CD2 4.19Å; V119-L279 HydrophobicContact CG2-CD2 3.9Å; Y123-L279 WeakPolarHBondContact OH-CD2 3.18Å; G275-L279 WeakPolarHBondContact O-CB 3.49Å; G275-L279 PolarHBondContact O-N 3.07Å; A276-L279 PolarHBondContact O-N 3.09Å; C277-L279 PolarHBondContact O-N 3.37Å; L279-Y281 VanDerWaalsContact C-N 3.35Å; L279-T282 PolarHBondContact O-OG1 2.87Å; L279-T282 VanDerWaalsContact O-OG1 3.04Å; L279-G283 PolarHBondContact O-N 2.71Å
280	A	94.5	Very high	92.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-39.4	177.3	0	0	0	0	0	111.3	Q254 F255 V258 A276 C277 L278 G283	Q254-A280 HydrophobicContact CG-CB 4.11Å; F255-A280 HydrophobicContact CB-CB 4.29Å; V258-A280 HydrophobicContact CB-CB 4.46Å; A276-A280 WeakPolarHBondContact O-CB 3.02Å; A276-A280 PolarHBondContact O-N 3.01Å; C277-A280 PolarHBondContact O-N 2.66Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.93Å; A280-G283 PolarHBondContact O-N 2.63Å
281	Y	97.4	Very high	93.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-51.6	173.3	178.4	-82.1	0	0	0	111.8	L204 F205 F255 C277 L278 L279 G283 L284 P291 V301 L330	L204-Y281 HydrophobicContact CD2-CD1 4.49Å; L204-Y281 HydrophobicContact CD2-CE1 4.2Å; F205-Y281 AromaticContact CE1-CD1 3.74Å; F205-Y281 HydrophobicContact CE1-CD1 3.74Å; F205-Y281 AromaticContact CE1-CE1 3.77Å; F205-Y281 HydrophobicContact CE1-CE1 3.77Å; F205-Y281 AromaticContact CZ-CD1 3.65Å; F205-Y281 HydrophobicContact CZ-CD1 3.65Å; F205-Y281 HydrophobicContact CZ-CE1 4.14Å; F205-Y281 HydrophobicContact CZ-CG 4.47Å; F255-Y281 HydrophobicContact CE2-CD2 4.13Å; C277-Y281 PolarHBondContact O-N 3.19Å; L278-Y281 WeakPolarHBondContact O-CB 3.43Å; L278-Y281 PolarHBondContact O-N 3.33Å; L279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-G283 PolarHBondContact O-N 2.83Å; Y281-L284 WeakPolarHBondContact O-CB 2.9Å; Y281-L284 PolarHBondContact O-N 3.31Å; Y281-P291 HydrophobicContact CD2-CG 4.13Å; Y281-P291 HydrophobicContact CE1-CG 4.04Å; Y281-P291 HydrophobicContact CE2-CB 3.72Å; Y281-P291 HydrophobicContact CE2-CG 3.6Å; Y281-V301 HydrophobicContact CE2-CB 4.18Å; Y281-V301 HydrophobicContact CE2-CG2 3.88Å; Y281-V301 WeakPolarHBondContact OH-CB 3.29Å; Y281-V301 WeakPolarHBondContact OH-CG1 3.43Å; Y281-L330 HydrophobicContact CD2-CD1 3.9Å; Y281-L330 HydrophobicContact CD2-CD2 4.01Å; Y281-L330 HydrophobicContact CE2-CD2 4.2Å; Y281-L330 HydrophobicContact CG-CD1 4.37Å
282	T	97.2	Very high	93.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-64.2	-27.7	179.3	58.8	0	0	0	0	112.4	F192 L204 F205 L278 L279 L284 I285	F192-T282 HydrophobicContact CD1-CG2 4.25Å; F192-T282 HydrophobicContact CE1-CG2 4.27Å; L204-T282 HydrophobicContact CD2-CG2 3.66Å; F205-T282 HydrophobicContact CE2-CG2 3.7Å; F205-T282 HydrophobicContact CZ-CG2 3.53Å; L278-T282 WeakPolarHBondContact O-CG2 3.29Å; L278-T282 PolarHBondContact O-N 3.38Å; L278-T282 PolarHBondContact O-OG1 3.13Å; L279-T282 PolarHBondContact O-OG1 2.87Å; L279-T282 VanDerWaalsContact O-OG1 3.04Å; T282-L284 PolarHBondContact O-N 3.37Å; T282-I285 WeakPolarHBondContact O-CB 2.96Å; T282-I285 PolarHBondContact O-N 2.88Å; T282-I285 VanDerWaalsContact O-N 3.14Å
283	G	96.1	Very high	94.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-32.4	172.3	0	0	0	0	0	113.8	R251 L279 A280 Y281 I285	R251-G283 WeakPolarHBondContact CD-O 3.27Å; R251-G283 PolarHBondContact NH1-O 3.48Å; L279-G283 PolarHBondContact O-N 2.71Å; A280-G283 PolarHBondContact O-N 2.63Å; Y281-G283 PolarHBondContact O-N 2.83Å; G283-I285 PolarHBondContact O-N 3.43Å
284	L	98.1	Very high	95.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.2	179.3	-63.8	176.4	0	0	0	113.3	R251 L252 F255 Y281 T282 G286 S287 I289 P291 F324	R251-L284 HydrophobicContact CB-CD2 4.01Å; L252-L284 HydrophobicContact CB-CD2 4.32Å; L252-L284 HydrophobicContact CD1-CD2 4.47Å; F255-L284 HydrophobicContact CB-CD1 3.99Å; F255-L284 HydrophobicContact CB-CD2 4.44Å; F255-L284 HydrophobicContact CB-CG 4.36Å; F255-L284 HydrophobicContact CD1-CD1 3.89Å; F255-L284 HydrophobicContact CD2-CD1 4.15Å; F255-L284 HydrophobicContact CE1-CD1 4.42Å; F255-L284 HydrophobicContact CG-CD1 3.74Å; Y281-L284 WeakPolarHBondContact O-CB 2.9Å; Y281-L284 PolarHBondContact O-N 3.31Å; T282-L284 PolarHBondContact O-N 3.37Å; L284-G286 PolarHBondContact O-N 3.33Å; L284-S287 WeakPolarHBondContact O-CB 3.44Å; L284-S287 PolarHBondContact O-N 3.22Å; L284-S287 PolarHBondContact O-OG 3.42Å; L284-I289 WeakPolarHBondContact CB-O 3.4Å; L284-P291 HydrophobicContact CB-CG 4.17Å; L284-P291 HydrophobicContact CD1-CG 4.33Å; L284-F324 HydrophobicContact CD1-CE1 3.61Å; L284-F324 HydrophobicContact CD1-CZ 3.96Å
285	I	98.4	Very high	95.4	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	131.2	-175.1	-60.7	170.1	0	0	0	110.8	L188 R189 F192 L204 I221 T282 G283 S287 T290	L188-I285 HydrophobicContact CB-CG2 4.38Å; L188-I285 HydrophobicContact CD1-CG2 4.42Å; L188-I285 HydrophobicContact CD2-CG2 4.47Å; R189-I285 WeakPolarHBondContact CG-O 3.41Å; F192-I285 HydrophobicContact CD2-CB 4.02Å; F192-I285 HydrophobicContact CD2-CD1 4.32Å; F192-I285 HydrophobicContact CD2-CG2 3.86Å; F192-I285 HydrophobicContact CE1-CD1 4.12Å; F192-I285 HydrophobicContact CE2-CB 4.06Å; F192-I285 HydrophobicContact CE2-CD1 3.82Å; F192-I285 HydrophobicContact CE2-CG2 3.58Å; F192-I285 HydrophobicContact CZ-CD1 3.7Å; F192-I285 HydrophobicContact CZ-CG2 4.48Å; L204-I285 HydrophobicContact CD1-CD1 4.49Å; L204-I285 HydrophobicContact CD2-CD1 3.5Å; I221-I285 HydrophobicContact CB-CG2 4.47Å; I221-I285 HydrophobicContact CG2-CD1 4.24Å; I221-I285 HydrophobicContact CG2-CG2 3.92Å; T282-I285 WeakPolarHBondContact O-CB 2.96Å; T282-I285 PolarHBondContact O-N 2.88Å; T282-I285 VanDerWaalsContact O-N 3.14Å; G283-I285 PolarHBondContact O-N 3.43Å; I285-S287 VanDerWaalsContact C-N 3.29Å; I285-T290 HydrophobicContact CG2-CG2 4.34Å
286	G	96.1	Very high	95.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	9.6	-174	0	0	0	0	0	113.1	N185 R189 L284 T290	N185-G286 WeakPolarHBondContact CB-O 3.43Å; R189-G286 PolarHBondContact NH1-O 2.91Å; L284-G286 PolarHBondContact O-N 3.33Å; G286-T290 PolarHBondContact N-OG1 3.17Å
287	S	95.4	Very high	95.7	Very high	9 Å²	9	18.2 Å²	18.2	6%	0.063	11%	0.11	C	C	.	.	S	Bend	trans	-95.8	-179.7	166.4	83.5	0	0	0	0	111.4	L284 I285 I289 T290	L284-S287 WeakPolarHBondContact O-CB 3.44Å; L284-S287 PolarHBondContact O-N 3.22Å; L284-S287 PolarHBondContact O-OG 3.42Å; I285-S287 VanDerWaalsContact C-N 3.29Å; S287-I289 PolarHBondContact O-N 3.26Å; S287-I289 PolarHBondContact OG-N 3.13Å; S287-I289 PolarHBondContact OG-O 3.18Å; S287-I289 VanDerWaalsContact OG-O 3.06Å; S287-T290 PolarHBondContact N-OG1 3.34Å; S287-T290 PolarHBondContact O-OG1 3.2Å
288	T	94.9	Very high	95.5	Very high	57 Å²	57	20.4 Å²	20.4	35%	0.35	12%	0.123	S	C	.	.	S	Bend	trans	-59	-35.6	172.6	-55	0	0	0	0	111.9	Q238 M241	Q238-T288 HydrophobicContact CB-CG2 4.5Å; Q238-T288 PolarHBondContact OE1-O 2.79Å; M241-T288 HydrophobicContact CB-CG2 3.89Å
289	I	97.1	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-100.8	81.2	175	-59.4	170.5	0	0	0	107	C242 L252 L284 S287 P291 P303 F320 F324	C242-I289 HydrophobicContact CB-CD1 3.53Å; C242-I289 HydrophobicContact CB-CG1 3.89Å; C242-I289 WeakPolarHBondContact SG-CD1 3.45Å; L252-I289 HydrophobicContact CD1-CD1 3.88Å; L252-I289 HydrophobicContact CD2-CD1 3.48Å; L252-I289 VanDerWaalsContact CD2-CD1 3.48Å; L252-I289 HydrophobicContact CG-CD1 4.2Å; L284-I289 WeakPolarHBondContact CB-O 3.4Å; S287-I289 PolarHBondContact O-N 3.26Å; S287-I289 PolarHBondContact OG-N 3.13Å; S287-I289 PolarHBondContact OG-O 3.18Å; S287-I289 VanDerWaalsContact OG-O 3.06Å; I289-P291 WeakPolarHBondContact O-CD 3.26Å; I289-P303 HydrophobicContact CG2-CB 3.97Å; I289-P303 HydrophobicContact CG2-CG 4.48Å; I289-F320 HydrophobicContact CD1-CE2 3.98Å; I289-F320 HydrophobicContact CD1-CZ 3.75Å; I289-F320 HydrophobicContact CG1-CZ 4.35Å; I289-F320 HydrophobicContact CG2-CZ 4.3Å; I289-F324 HydrophobicContact CG2-CE1 4.45Å; I289-F324 HydrophobicContact CG2-CE2 4.24Å; I289-F324 HydrophobicContact CG2-CZ 3.69Å
290	T	98	Very high	95.4	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.031	16%	0.16	C	C	.	.			trans	-94.7	111.1	173.6	-68.6	0	0	0	0	108.7	I221 Y227 I285 G286 S287	I221-T290 HydrophobicContact CD1-CG2 3.88Å; Y227-T290 VanDerWaalsContact CD2-O 3.3Å; Y227-T290 WeakPolarHBondContact CD2-O 3.46Å; Y227-T290 WeakPolarHBondContact CE2-O 3.35Å; I285-T290 HydrophobicContact CG2-CG2 4.34Å; G286-T290 PolarHBondContact N-OG1 3.17Å; S287-T290 PolarHBondContact N-OG1 3.34Å; S287-T290 PolarHBondContact O-OG1 3.2Å
291	P	98.1	Very high	95.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	152.2	172.8	34.4	-35.5	0	0	0	111.1	Y281 L284 I289 A302 F324	Y281-P291 HydrophobicContact CD2-CG 4.13Å; Y281-P291 HydrophobicContact CE1-CG 4.04Å; Y281-P291 HydrophobicContact CE2-CB 3.72Å; Y281-P291 HydrophobicContact CE2-CG 3.6Å; L284-P291 HydrophobicContact CB-CG 4.17Å; L284-P291 HydrophobicContact CD1-CG 4.33Å; I289-P291 WeakPolarHBondContact O-CD 3.26Å; P291-A302 WeakPolarHBondContact CA-O 3.43Å; P291-F324 HydrophobicContact CB-CD1 4.02Å; P291-F324 HydrophobicContact CB-CE1 4.1Å; P291-F324 HydrophobicContact CG-CE1 4.31Å
292	N	98.4	Very high	95.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	170.7	168.2	-161.3	18.3	0	0	0	110.5	R218 I221 Y227 V294 V301 A302	R218-N292 PolarHBondContact O-ND2 3.47Å; I221-N292 HydrophobicContact CD1-CB 3.94Å; Y227-N292 HydrophobicContact CD1-CB 3.95Å; Y227-N292 HydrophobicContact CD2-CB 3.74Å; Y227-N292 HydrophobicContact CE1-CB 4Å; Y227-N292 HydrophobicContact CE2-CB 3.8Å; Y227-N292 HydrophobicContact CG-CB 3.84Å; N292-V294 PolarHBondContact O-N 2.87Å; N292-V301 VanDerWaalsContact O-CA 3.27Å; N292-V301 WeakPolarHBondContact O-CA 3.38Å; N292-A302 PolarHBondContact N-O 2.92Å; N292-A302 PolarHBondContact O-N 3.15Å
293	Y	97.8	Very high	95.6	Very high	4 Å²	4	27 Å²	27	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.6	165.6	-64.6	-84.7	0	0	0	110.5	L204 R217 N300 V301	L204-Y293 WeakPolarHBondContact O-CE2 3.42Å; L204-Y293 PolarHBondContact O-OH 3.38Å; R217-Y293 HydrophobicContact CG-CD2 4.08Å; R217-Y293 HydrophobicContact CG-CE2 3.56Å; R217-Y293 VanDerWaalsContact NE-CZ 3.35Å; Y293-N300 WeakPolarHBondContact CA-O 3.47Å; Y293-V301 HydrophobicContact CD1-CG1 3.92Å; Y293-V301 HydrophobicContact CE1-CG1 3.99Å; Y293-V301 HydrophobicContact CG-CG1 4.33Å
294	V	95.3	Very high	95.6	Very high	66 Å²	66	29.2 Å²	29.2	40%	0.4	17%	0.174	S	C	.	.	S	Bend	trans	-75.5	-35.3	-175.4	179.8	0	0	0	0	111.5	N292 N300 A302	N292-V294 PolarHBondContact O-N 2.87Å; V294-N300 PolarHBondContact N-O 3.4Å; V294-A302 HydrophobicContact CG2-CB 3.69Å
295	D	92.6	Very high	95.5	Very high	51 Å²	51	29.6 Å²	29.6	27%	0.273	18%	0.176	S	C	.	.			trans	-143.6	-176.9	-179.1	56.7	50.2	0	0	0	110.3	S297 T298	D295-S297 PolarHBondContact OD1-N 3.18Å; D295-S297 VanDerWaalsContact OD1-N 3.14Å; D295-S297 PolarHBondContact OD1-OG 3.01Å; D295-T298 VanDerWaalsContact CG-OG1 3.27Å; D295-T298 WeakPolarHBondContact OD1-CA 3.01Å; D295-T298 WeakPolarHBondContact OD1-CB 3.04Å; D295-T298 PolarHBondContact OD1-N 3.23Å; D295-T298 PolarHBondContact OD1-OG1 2.03Å; D295-T298 PolarHBondContact OD2-OG1 2.97Å; D295-T298 VanDerWaalsContact OD2-OG1 3.12Å
296	N	92.3	Very high	95.4	Very high	64 Å²	64	31 Å²	31	34%	0.342	19%	0.186	S	C	.	.	S	Bend	trans	-109.2	14.9	177.5	61.8	14.2	0	0	0	112.8	A214 E215	A214-N296 HydrophobicContact CB-CB 4.07Å; A214-N296 WeakPolarHBondContact CB-O 3.01Å; E215-N296 HydrophobicContact CB-CB 4.35Å; E215-N296 PolarHBondContact OE2-ND2 3.38Å
297	S	90.1	Very high	95.3	Very high	94 Å²	94	31.2 Å²	31.2	66%	0.657	19%	0.188	S	C	*	.	S	Bend	trans	-114	-23.3	-179.9	59.4	0	0	0	0	112.7	D295	D295-S297 PolarHBondContact OD1-N 3.18Å; D295-S297 VanDerWaalsContact OD1-N 3.14Å; D295-S297 PolarHBondContact OD1-OG 3.01Å
298	T	90.4	Very high	94.9	Very high	46 Å²	46	34.4 Å²	34.4	28%	0.282	21%	0.21	S	C	.	.	S	Bend	trans	-120.3	173.6	179.1	75.2	0	0	0	0	110.9	D295 N300	D295-T298 VanDerWaalsContact CG-OG1 3.27Å; D295-T298 WeakPolarHBondContact OD1-CA 3.01Å; D295-T298 WeakPolarHBondContact OD1-CB 3.04Å; D295-T298 PolarHBondContact OD1-N 3.23Å; D295-T298 PolarHBondContact OD1-OG1 2.03Å; D295-T298 PolarHBondContact OD2-OG1 2.97Å; D295-T298 VanDerWaalsContact OD2-OG1 3.12Å; T298-N300 WeakPolarHBondContact OG1-CB 3.46Å; T298-N300 PolarHBondContact OG1-N 2.71Å; T298-N300 PolarHBondContact OG1-ND2 2.81Å
299	S	90.7	Very high	94.1	Very high	68 Å²	68	37.7 Å²	37.7	48%	0.476	23%	0.232	S	C	.	.			trans	-104.1	23.7	168.5	-60.2	0	0	0	0	111.6	R217	R217-S299 PolarHBondContact NH2-OG 2.94Å; R217-S299 VanDerWaalsContact NH2-OG 3.16Å
300	N	95.1	Very high	93	Very high	84 Å²	84	38.3 Å²	38.3	45%	0.449	24%	0.237	S	C	.	.			trans	-72.2	133.7	178.9	-67	-28.1	0	0	0	110.3	Y293 V294 T298	Y293-N300 WeakPolarHBondContact CA-O 3.47Å; V294-N300 PolarHBondContact N-O 3.4Å; T298-N300 WeakPolarHBondContact OG1-CB 3.46Å; T298-N300 PolarHBondContact OG1-N 2.71Å; T298-N300 PolarHBondContact OG1-ND2 2.81Å
301	V	97.6	Very high	92.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.7	-179.7	-63	0	0	0	0	110.8	Y281 N292 Y293 F324 L330 L334	Y281-V301 HydrophobicContact CE2-CB 4.18Å; Y281-V301 HydrophobicContact CE2-CG2 3.88Å; Y281-V301 WeakPolarHBondContact OH-CB 3.29Å; Y281-V301 WeakPolarHBondContact OH-CG1 3.43Å; N292-V301 VanDerWaalsContact O-CA 3.27Å; N292-V301 WeakPolarHBondContact O-CA 3.38Å; Y293-V301 HydrophobicContact CD1-CG1 3.92Å; Y293-V301 HydrophobicContact CE1-CG1 3.99Å; Y293-V301 HydrophobicContact CG-CG1 4.33Å; V301-F324 CarbonylContact O-C 3.59Å; V301-L330 HydrophobicContact CG2-CD2 3.79Å; V301-L334 HydrophobicContact CG1-CD1 4.45Å
302	A	97.8	Very high	91.5	Very high	10 Å²	10	47.5 Å²	47.5	8%	0.083	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.1	175.5	0	0	0	0	0	110.9	Y227 P291 N292 V294 L321 T325	Y227-A302 VanDerWaalsContact CE2-O 3.29Å; Y227-A302 WeakPolarHBondContact CE2-O 3.37Å; Y227-A302 PolarHBondContact OH-O 2.84Å; P291-A302 WeakPolarHBondContact CA-O 3.43Å; N292-A302 PolarHBondContact N-O 2.92Å; N292-A302 PolarHBondContact O-N 3.15Å; V294-A302 HydrophobicContact CG2-CB 3.69Å; A302-L321 HydrophobicContact CB-CD1 4.38Å; A302-T325 HydrophobicContact CB-CG2 3.99Å
303	P	97.6	Very high	91	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	160.5	161.9	30.8	-34.7	0	0	0	111.6	I289 C305 F320 L321 F324	I289-P303 HydrophobicContact CG2-CB 3.97Å; I289-P303 HydrophobicContact CG2-CG 4.48Å; P303-C305 VanDerWaalsContact C-N 3.25Å; P303-C305 PolarHBondContact O-N 3.47Å; P303-F320 HydrophobicContact CG-CE1 4.39Å; P303-L321 HydrophobicContact CG-CD1 4.2Å; P303-F324 HydrophobicContact CG-CD2 4.03Å; P303-F324 HydrophobicContact CG-CE2 4.14Å; P303-F324 HydrophobicContact CG-CG 4.46Å
304	W	96.4	Very high	90.7	Very high	46 Å²	46	54.2 Å²	54.2	17%	0.174	34%	0.343	C	S	.	.	S	Bend	trans	-77.3	70.8	177.8	-170.7	-104.7	0	0	0	112.2	Y227 E228 S229 E231 K232 Q238	Y227-W304 AromaticContact CD1-CE3 3.99Å; Y227-W304 HydrophobicContact CD1-CE3 3.99Å; Y227-W304 HydrophobicContact CD2-CB 3.95Å; Y227-W304 HydrophobicContact CE1-CD2 4.44Å; Y227-W304 AromaticContact CE1-CE3 3.45Å; Y227-W304 HydrophobicContact CE1-CE3 3.45Å; Y227-W304 VanDerWaalsContact CE1-CE3 3.45Å; Y227-W304 AromaticContact CE1-CZ3 4Å; Y227-W304 HydrophobicContact CE1-CZ3 4Å; Y227-W304 HydrophobicContact CE2-CB 3.74Å; Y227-W304 VanDerWaalsContact CE2-N 3.33Å; Y227-W304 HydrophobicContact CG-CB 4.45Å; Y227-W304 AromaticContact CZ-CE3 3.74Å; Y227-W304 VanDerWaalsContact O-CB 3.31Å; Y227-W304 WeakPolarHBondContact O-CB 3.38Å; E228-W304 HydrophobicContact CB-CH2 4.45Å; E228-W304 HydrophobicContact CB-CZ2 4.4Å; E228-W304 HydrophobicContact CG-CE3 4.31Å; E228-W304 HydrophobicContact CG-CH2 4.17Å; E228-W304 HydrophobicContact CG-CZ3 4.02Å; S229-W304 VanDerWaalsContact N-NE1 3.14Å; S229-W304 WeakPolarHBondContact O-CZ2 3.32Å; S229-W304 PolarHBondContact O-NE1 2.93Å; S229-W304 PolarHBondContact OG-NE1 3.44Å; E231-W304 PolarHBondContact O-NE1 3.47Å; K232-W304 HydrophobicContact CD-CD2 4.47Å; K232-W304 HydrophobicContact CD-CZ2 4.42Å; K232-W304 VanDerWaalsContact CE-CE3 3.45Å; K232-W304 VanDerWaalsContact CE-CH2 3.45Å; K232-W304 HydrophobicContact CG-CD2 3.92Å; K232-W304 HydrophobicContact CG-CE3 4.42Å; K232-W304 HydrophobicContact CG-CG 4.41Å; K232-W304 HydrophobicContact CG-CH2 4.3Å; K232-W304 HydrophobicContact CG-CZ2 3.73Å; Q238-W304 PolarHBondContact NE2-O 3.26Å
305	C	95.9	Very high	90.6	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.054	36%	0.359	C	S	.	.			trans	-151.1	171.7	176.5	67.4	0	0	0	0	111.2	P233 C235 P303	P233-C305 CarbonylContact O-C 3.58Å; P233-C305 VanDerWaalsContact O-CA 3.26Å; P233-C305 WeakPolarHBondContact O-CA 3.43Å; P233-C305 VanDerWaalsContact O-CB 3.29Å; P233-C305 WeakPolarHBondContact O-CB 3.32Å; C235-C305 WeakPolarHBondContact CA-SG 3.28Å; C235-C305 HydrophobicContact CB-CB 3.84Å; C235-C305 WeakPolarHBondContact CB-SG 3.28Å; C235-C305 WeakPolarHBondContact SG-CB 3.4Å; C235-C305 CovalentContact SG-SG 2.03Å; C235-C305 PolarHBondContact SG-SG 3.42Å; P303-C305 VanDerWaalsContact C-N 3.25Å; P303-C305 PolarHBondContact O-N 3.47Å
306	S	95.2	Very high	90.7	Very high	31 Å²	31	58.9 Å²	58.9	22%	0.217	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-138.7	168.8	171.9	79.8	0	0	0	0	111.6	P233 N234 C235 S308	P233-S306 PolarHBondContact O-N 2.85Å; N234-S306 CarbonylContact C-O 3.59Å; N234-S306 VanDerWaalsContact CA-O 3.28Å; N234-S306 WeakPolarHBondContact CA-O 3.08Å; C235-S306 PolarHBondContact N-O 3.31Å; C235-S306 PolarHBondContact SG-N 3.33Å; S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact OG-N 3.27Å; S306-S308 PolarHBondContact OG-O 3.33Å
307	C	94.3	Very high	90.8	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.034	35%	0.347	C	S	.	.			trans	-97	22.4	173.6	-64	0	0	0	0	113.1	S310 R314 C317	C307-S310 VanDerWaalsContact CA-OG 3.32Å; C307-S310 WeakPolarHBondContact CA-OG 3.49Å; C307-S310 VanDerWaalsContact O-CB 3.26Å; C307-S310 WeakPolarHBondContact O-CB 3.26Å; C307-S310 PolarHBondContact O-N 2.88Å; C307-S310 PolarHBondContact O-OG 3.02Å; C307-R314 VanDerWaalsContact CB-CZ 3.5Å; C307-R314 PolarHBondContact O-NH1 3.48Å; C307-C317 WeakPolarHBondContact CA-SG 3.35Å; C307-C317 HydrophobicContact CB-CB 3.8Å; C307-C317 WeakPolarHBondContact CB-SG 3.09Å; C307-C317 WeakPolarHBondContact SG-CB 3.37Å; C307-C317 PolarHBondContact SG-O 3.27Å; C307-C317 CovalentContact SG-SG 2.04Å; C307-C317 PolarHBondContact SG-SG 2.85Å
308	S	87.6	Confident	91.1	Very high	76 Å²	76	54.4 Å²	54.4	53%	0.531	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	128.9	-179.9	-65	0	0	0	0	111.5	S306 R314	S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact OG-N 3.27Å; S306-S308 PolarHBondContact OG-O 3.33Å; S308-R314 PolarHBondContact OG-NH1 2.79Å
309	P	78.9	Confident	91.3	Very high	125 Å²	125	60.5 Å²	60.5	81%	0.812	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.2	132.7	-18.7	32.1	-29.4	0	0	0	110.7	N234	N234-P309 PolarHBondContact ND2-O 3.3Å; N234-P309 VanDerWaalsContact ND2-O 3.1Å
310	S	73.2	Confident	91.5	Very high	13 Å²	13	57.5 Å²	57.5	9%	0.091	33%	0.328	C	S	.	.			trans	-111	-11.3	177.6	-61.3	0	0	0	0	115	N234 C307 S312 T313	N234-S310 PolarHBondContact ND2-OG 3.43Å; C307-S310 VanDerWaalsContact CA-OG 3.32Å; C307-S310 WeakPolarHBondContact CA-OG 3.49Å; C307-S310 VanDerWaalsContact O-CB 3.26Å; C307-S310 WeakPolarHBondContact O-CB 3.26Å; C307-S310 PolarHBondContact O-N 2.88Å; C307-S310 PolarHBondContact O-OG 3.02Å; S310-S312 PolarHBondContact O-N 3.13Å; S310-S312 VanDerWaalsContact O-N 3.16Å; S310-T313 PolarHBondContact O-N 2.85Å; S310-T313 PolarHBondContact O-OG1 2.99Å
311	G	82.6	Confident	91.6	Very high	71 Å²	71	55.1 Å²	55.1	73%	0.732	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	48.2	-121.2	-179.7	0	0	0	0	0	112.2	T313 R314	G311-T313 VanDerWaalsContact C-N 3.3Å; G311-T313 PolarHBondContact O-N 3.23Å; G311-R314 WeakPolarHBondContact O-CB 3.33Å
312	S	82	Confident	91.6	Very high	128 Å²	128	55.6 Å²	55.6	90%	0.895	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-71.5	-12.5	178.7	56	0	0	0	0	115.7	S310	S310-S312 PolarHBondContact O-N 3.13Å; S310-S312 VanDerWaalsContact O-N 3.16Å
313	T	88.1	Confident	91.5	Very high	50 Å²	50	57.5 Å²	57.5	31%	0.307	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-98.9	12.8	179.4	60	0	0	0	0	113	S310 G311 D315 E316 C317	S310-T313 PolarHBondContact O-N 2.85Å; S310-T313 PolarHBondContact O-OG1 2.99Å; G311-T313 VanDerWaalsContact C-N 3.3Å; G311-T313 PolarHBondContact O-N 3.23Å; T313-D315 PolarHBondContact O-N 2.87Å; T313-E316 PolarHBondContact O-N 2.59Å; T313-C317 WeakPolarHBondContact O-CB 3.42Å; T313-C317 PolarHBondContact O-N 3.37Å
314	R	91.8	Very high	91.4	Very high	96 Å²	96	57.6 Å²	57.6	36%	0.362	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-49.5	-175.3	-175.6	68.2	-162.9	-156.7	-1.1	112.3	C307 S308 G311 E316 C317 D318	C307-R314 VanDerWaalsContact CB-CZ 3.5Å; C307-R314 PolarHBondContact O-NH1 3.48Å; S308-R314 PolarHBondContact OG-NH1 2.79Å; G311-R314 WeakPolarHBondContact O-CB 3.33Å; R314-E316 VanDerWaalsContact C-N 3.34Å; R314-E316 PolarHBondContact O-N 3.1Å; R314-C317 WeakPolarHBondContact O-CA 3.5Å; R314-C317 WeakPolarHBondContact O-CB 3.06Å; R314-C317 PolarHBondContact O-N 2.89Å; R314-C317 VanDerWaalsContact O-N 3.08Å; R314-D318 WeakPolarHBondContact CG-OD2 3.36Å; R314-D318 IonicContact CZ-OD1 3.42Å; R314-D318 IonicContact CZ-OD2 3.66Å; R314-D318 IonicContact NE-OD1 3.2Å; R314-D318 PolarHBondContact NE-OD1 3.34Å; R314-D318 IonicContact NE-OD2 2.84Å; R314-D318 PolarHBondContact NE-OD2 3.12Å; R314-D318 IonicContact NH2-OD1 3.11Å; R314-D318 PolarHBondContact NH2-OD1 3.15Å; R314-D318 VanDerWaalsContact NH2-OD1 3.11Å; R314-D318 IonicContact NH2-OD2 3.59Å; R314-D318 PolarHBondContact O-N 3.31Å
315	D	92.8	Very high	91.4	Very high	136 Å²	136	58.2 Å²	58.2	73%	0.727	34%	0.338	S	S	*	.	H	α-helix	trans	-63.7	-38.9	-179.1	-59.9	-20.5	0	0	0	112.3	T313 C317 R319	T313-D315 PolarHBondContact O-N 2.87Å; D315-C317 VanDerWaalsContact C-N 3.3Å; D315-C317 PolarHBondContact O-N 3.16Å; D315-R319 VanDerWaalsContact O-CB 3.28Å; D315-R319 WeakPolarHBondContact O-CB 3.46Å; D315-R319 PolarHBondContact O-N 3.38Å
316	E	93.7	Very high	91.4	Very high	80 Å²	80	64 Å²	64	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-41.6	174.1	-171.4	-170.5	168.5	0	0	110.9	I236 T313 R314 F320	I236-E316 HydrophobicContact CD1-CB 4.23Å; I236-E316 HydrophobicContact CD1-CG 3.88Å; T313-E316 PolarHBondContact O-N 2.59Å; R314-E316 VanDerWaalsContact C-N 3.34Å; R314-E316 PolarHBondContact O-N 3.1Å; E316-F320 WeakPolarHBondContact O-CB 3.47Å; E316-F320 PolarHBondContact O-N 2.88Å
317	C	96	Very high	91.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67	-47.6	179.5	-172.6	0	0	0	0	111.9	I236 C307 T313 R314 D315 R319 F320 L321	I236-C317 HydrophobicContact CD1-CB 3.97Å; I236-C317 HydrophobicContact CG1-CB 3.84Å; C307-C317 WeakPolarHBondContact CA-SG 3.35Å; C307-C317 HydrophobicContact CB-CB 3.8Å; C307-C317 WeakPolarHBondContact CB-SG 3.09Å; C307-C317 WeakPolarHBondContact SG-CB 3.37Å; C307-C317 PolarHBondContact SG-O 3.27Å; C307-C317 CovalentContact SG-SG 2.04Å; C307-C317 PolarHBondContact SG-SG 2.85Å; T313-C317 WeakPolarHBondContact O-CB 3.42Å; T313-C317 PolarHBondContact O-N 3.37Å; R314-C317 WeakPolarHBondContact O-CA 3.5Å; R314-C317 WeakPolarHBondContact O-CB 3.06Å; R314-C317 PolarHBondContact O-N 2.89Å; R314-C317 VanDerWaalsContact O-N 3.08Å; D315-C317 VanDerWaalsContact C-N 3.3Å; D315-C317 PolarHBondContact O-N 3.16Å; C317-R319 VanDerWaalsContact C-N 3.32Å; C317-R319 PolarHBondContact O-N 3.29Å; C317-F320 WeakPolarHBondContact O-CB 3.35Å; C317-F320 PolarHBondContact O-N 3.09Å; C317-F320 VanDerWaalsContact O-N 3.13Å; C317-L321 PolarHBondContact O-N 2.97Å
318	D	95.7	Very high	91.4	Very high	63 Å²	63	64.6 Å²	64.6	34%	0.337	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-39.8	179.9	-72	-29.6	0	0	0	110.3	R314 F320 L321 G322	R314-D318 WeakPolarHBondContact CG-OD2 3.36Å; R314-D318 IonicContact CZ-OD1 3.42Å; R314-D318 IonicContact CZ-OD2 3.66Å; R314-D318 IonicContact NE-OD1 3.2Å; R314-D318 PolarHBondContact NE-OD1 3.34Å; R314-D318 IonicContact NE-OD2 2.84Å; R314-D318 PolarHBondContact NE-OD2 3.12Å; R314-D318 IonicContact NH2-OD1 3.11Å; R314-D318 PolarHBondContact NH2-OD1 3.15Å; R314-D318 VanDerWaalsContact NH2-OD1 3.11Å; R314-D318 IonicContact NH2-OD2 3.59Å; R314-D318 PolarHBondContact O-N 3.31Å; D318-F320 PolarHBondContact O-N 3.19Å; D318-L321 PolarHBondContact O-N 3.47Å; D318-G322 PolarHBondContact O-N 2.03Å
319	R	94.5	Very high	91.8	Very high	174 Å²	174	61 Å²	61	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-62.4	-41	171.9	-174.4	174.8	64	136.3	-1	112.4	D315 C317 G322 F323	D315-R319 VanDerWaalsContact O-CB 3.28Å; D315-R319 WeakPolarHBondContact O-CB 3.46Å; D315-R319 PolarHBondContact O-N 3.38Å; C317-R319 VanDerWaalsContact C-N 3.32Å; C317-R319 PolarHBondContact O-N 3.29Å; R319-G322 PolarHBondContact O-N 2.76Å; R319-F323 WeakPolarHBondContact O-CD2 3.24Å
320	F	95.8	Very high	92.6	Very high	5 Å²	5	55 Å²	55	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-46.1	176.5	167.9	-94.6	0	0	0	111.9	C235 K239 L252 R256 I289 P303 E316 C317 D318 G322 F323 F324	C235-F320 HydrophobicContact CB-CD1 3.61Å; C235-F320 HydrophobicContact CB-CE1 3.76Å; K239-F320 HydrophobicContact CB-CD2 4.4Å; K239-F320 HydrophobicContact CB-CE2 4.17Å; K239-F320 HydrophobicContact CB-CZ 4.43Å; K239-F320 HydrophobicContact CD-CD2 3.98Å; K239-F320 HydrophobicContact CD-CE2 4.41Å; K239-F320 HydrophobicContact CG-CD2 4.23Å; K239-F320 HydrophobicContact CG-CE2 4.16Å; L252-F320 HydrophobicContact CD1-CE2 4.32Å; L252-F320 HydrophobicContact CD2-CE2 4.31Å; R256-F320 VanDerWaalsContact NH2-CD2 3.26Å; I289-F320 HydrophobicContact CD1-CE2 3.98Å; I289-F320 HydrophobicContact CD1-CZ 3.75Å; I289-F320 HydrophobicContact CG1-CZ 4.35Å; I289-F320 HydrophobicContact CG2-CZ 4.3Å; P303-F320 HydrophobicContact CG-CE1 4.39Å; E316-F320 WeakPolarHBondContact O-CB 3.47Å; E316-F320 PolarHBondContact O-N 2.88Å; C317-F320 WeakPolarHBondContact O-CB 3.35Å; C317-F320 PolarHBondContact O-N 3.09Å; C317-F320 VanDerWaalsContact O-N 3.13Å; D318-F320 PolarHBondContact O-N 3.19Å; F320-G322 VanDerWaalsContact C-N 3.3Å; F320-F323 WeakPolarHBondContact O-CD2 3.46Å; F320-F323 PolarHBondContact O-N 3.24Å; F320-F324 HydrophobicContact CE1-CE2 4.49Å; F320-F324 HydrophobicContact CE2-CE2 4.39Å; F320-F324 HydrophobicContact CZ-CE2 4.09Å
321	L	96.6	Very high	93.6	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-36.2	179	-172.5	60.1	0	0	0	111.2	A302 P303 C317 D318 F323 F324 T325	A302-L321 HydrophobicContact CB-CD1 4.38Å; P303-L321 HydrophobicContact CG-CD1 4.2Å; C317-L321 PolarHBondContact O-N 2.97Å; D318-L321 PolarHBondContact O-N 3.47Å; L321-F323 PolarHBondContact O-N 2.99Å; L321-F324 PolarHBondContact O-N 3.23Å; L321-T325 HydrophobicContact CD1-CG2 4.18Å; L321-T325 HydrophobicContact CG-CG2 4.06Å; L321-T325 PolarHBondContact O-N 2.94Å; L321-T325 VanDerWaalsContact O-N 3.08Å; L321-T325 PolarHBondContact O-OG1 2.61Å
322	G	96.5	Very high	94.1	Very high	16 Å²	16	58 Å²	58	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-55.5	-29.7	176.1	0	0	0	0	0	114.3	D318 R319 F320 F324 T325 D326	D318-G322 PolarHBondContact O-N 2.03Å; R319-G322 PolarHBondContact O-N 2.76Å; F320-G322 VanDerWaalsContact C-N 3.3Å; G322-F324 PolarHBondContact O-N 3.49Å; G322-T325 PolarHBondContact O-N 2.89Å; G322-D326 CarbonylContact O-C 3.57Å; G322-D326 WeakPolarHBondContact O-CA 3.38Å; G322-D326 PolarHBondContact O-N 3.1Å
323	F	95.4	Very high	94.6	Very high	49 Å²	49	51.9 Å²	51.9	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-24.5	173.4	-71	-61.2	0	0	0	113.7	F255 R256 R319 F320 L321 N327	F255-F323 HydrophobicContact CE1-CB 4.1Å; F255-F323 WeakPolarHBondContact CZ-O 3.4Å; R256-F323 HydrophobicContact CG-CD1 4.37Å; R256-F323 HydrophobicContact CG-CD2 4.33Å; R256-F323 HydrophobicContact CG-CE1 4.32Å; R256-F323 HydrophobicContact CG-CE2 4.3Å; R256-F323 HydrophobicContact CG-CG 4.39Å; R256-F323 HydrophobicContact CG-CZ 4.29Å; R319-F323 WeakPolarHBondContact O-CD2 3.24Å; F320-F323 WeakPolarHBondContact O-CD2 3.46Å; F320-F323 PolarHBondContact O-N 3.24Å; L321-F323 PolarHBondContact O-N 2.99Å; F323-N327 VanDerWaalsContact O-CB 3.29Å; F323-N327 WeakPolarHBondContact O-CB 3.44Å; F323-N327 PolarHBondContact O-ND2 3.03Å; F323-N327 VanDerWaalsContact O-ND2 3.09Å
324	F	97.5	Very high	94.8	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-102.9	-44.4	178.6	-59	-86.3	0	0	0	111.9	L252 F255 L284 I289 P291 V301 P303 F320 L321 G322	L252-F324 HydrophobicContact CD1-CZ 4.33Å; F255-F324 HydrophobicContact CD1-CE1 4.13Å; F255-F324 HydrophobicContact CD1-CZ 4.15Å; F255-F324 AromaticContact CE1-CD1 3.9Å; F255-F324 HydrophobicContact CE1-CD1 3.9Å; F255-F324 AromaticContact CE1-CE1 3.52Å; F255-F324 HydrophobicContact CE1-CE1 3.52Å; F255-F324 HydrophobicContact CE1-CE2 4.32Å; F255-F324 HydrophobicContact CE1-CG 4.44Å; F255-F324 AromaticContact CE1-CZ 3.75Å; F255-F324 HydrophobicContact CE1-CZ 3.75Å; F255-F324 AromaticContact CZ-CD1 3.92Å; F255-F324 HydrophobicContact CZ-CD1 3.92Å; F255-F324 AromaticContact CZ-CE1 3.88Å; F255-F324 HydrophobicContact CZ-CE1 3.88Å; L284-F324 HydrophobicContact CD1-CE1 3.61Å; L284-F324 HydrophobicContact CD1-CZ 3.96Å; I289-F324 HydrophobicContact CG2-CE1 4.45Å; I289-F324 HydrophobicContact CG2-CE2 4.24Å; I289-F324 HydrophobicContact CG2-CZ 3.69Å; P291-F324 HydrophobicContact CB-CD1 4.02Å; P291-F324 HydrophobicContact CB-CE1 4.1Å; P291-F324 HydrophobicContact CG-CE1 4.31Å; V301-F324 CarbonylContact O-C 3.59Å; P303-F324 HydrophobicContact CG-CD2 4.03Å; P303-F324 HydrophobicContact CG-CE2 4.14Å; P303-F324 HydrophobicContact CG-CG 4.46Å; F320-F324 HydrophobicContact CE1-CE2 4.49Å; F320-F324 HydrophobicContact CE2-CE2 4.39Å; F320-F324 HydrophobicContact CZ-CE2 4.09Å; L321-F324 PolarHBondContact O-N 3.23Å; G322-F324 PolarHBondContact O-N 3.49Å
325	T	96.3	Very high	94.7	Very high	60 Å²	60	51.3 Å²	51.3	37%	0.368	26%	0.257	S	S	.	.	H	α-helix	trans	-90	-32.3	-170.6	57.6	0	0	0	0	113.8	A302 L321 G322 Q331	A302-T325 HydrophobicContact CB-CG2 3.99Å; L321-T325 HydrophobicContact CD1-CG2 4.18Å; L321-T325 HydrophobicContact CG-CG2 4.06Å; L321-T325 PolarHBondContact O-N 2.94Å; L321-T325 VanDerWaalsContact O-N 3.08Å; L321-T325 PolarHBondContact O-OG1 2.61Å; G322-T325 PolarHBondContact O-N 2.89Å; T325-Q331 PolarHBondContact O-NE2 3.43Å
326	D	94.6	Very high	94.5	Very high	130 Å²	130	47.7 Å²	47.7	70%	0.695	24%	0.236	S	C	*	.	S	Bend	trans	-126.8	57.9	-175.4	-172.6	28.8	0	0	0	110.6	G322	G322-D326 CarbonylContact O-C 3.57Å; G322-D326 WeakPolarHBondContact O-CA 3.38Å; G322-D326 PolarHBondContact O-N 3.1Å
327	N	95.6	Very high	94.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	22%	0.221	C	C	.	.			trans	-125	104.3	-178.5	-174.4	-25	0	0	0	110.4	C259 F323 C329 L330 Q331	C259-N327 PolarHBondContact O-ND2 2.96Å; C259-N327 PolarHBondContact O-OD1 3.01Å; F323-N327 VanDerWaalsContact O-CB 3.29Å; F323-N327 WeakPolarHBondContact O-CB 3.44Å; F323-N327 PolarHBondContact O-ND2 3.03Å; F323-N327 VanDerWaalsContact O-ND2 3.09Å; N327-C329 VanDerWaalsContact C-N 3.27Å; N327-C329 PolarHBondContact O-N 3.24Å; N327-C329 VanDerWaalsContact OD1-CB 3.28Å; N327-C329 WeakPolarHBondContact OD1-CB 3.49Å; N327-C329 PolarHBondContact OD1-N 3.17Å; N327-L330 HydrophobicContact CB-CB 4.05Å; N327-L330 PolarHBondContact O-N 3.3Å; N327-L330 PolarHBondContact OD1-N 3.43Å; N327-Q331 WeakPolarHBondContact O-CB 3.36Å; N327-Q331 WeakPolarHBondContact O-CG 3.48Å; N327-Q331 PolarHBondContact O-N 2.9Å
328	S	94.8	Very high	93.5	Very high	45 Å²	45	44.8 Å²	44.8	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-36.2	179.5	56.5	0	0	0	0	112.9	G268 N332	G268-S328 PolarHBondContact O-OG 2.66Å; S328-N332 VanDerWaalsContact O-CB 3.23Å; S328-N332 WeakPolarHBondContact O-CB 3.16Å; S328-N332 PolarHBondContact O-N 3Å; S328-N332 PolarHBondContact O-ND2 3.44Å
329	C	95.3	Very high	92.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-50.6	177.6	176	0	0	0	0	110.9	G268 C269 N327 N332 A333	G268-C329 WeakPolarHBondContact O-CB 3.38Å; C269-C329 VanDerWaalsContact CA-SG 3.59Å; C269-C329 HydrophobicContact CB-CB 3.83Å; C269-C329 WeakPolarHBondContact CB-SG 2.99Å; C269-C329 WeakPolarHBondContact SG-CA 3.32Å; C269-C329 WeakPolarHBondContact SG-CB 3.46Å; C269-C329 CovalentContact SG-SG 2.03Å; C269-C329 PolarHBondContact SG-SG 3.08Å; N327-C329 VanDerWaalsContact C-N 3.27Å; N327-C329 PolarHBondContact O-N 3.24Å; N327-C329 VanDerWaalsContact OD1-CB 3.28Å; N327-C329 WeakPolarHBondContact OD1-CB 3.49Å; N327-C329 PolarHBondContact OD1-N 3.17Å; C329-N332 PolarHBondContact O-N 3.33Å; C329-A333 WeakPolarHBondContact O-CB 3.47Å; C329-A333 PolarHBondContact O-N 3.2Å
330	L	95.6	Very high	91	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-44.2	179.9	-179.7	61	0	0	0	111.8	F255 Y281 V301 N327 N332 A333 L334	F255-L330 HydrophobicContact CE2-CD1 4.49Å; F255-L330 HydrophobicContact CE2-CD2 4.26Å; F255-L330 HydrophobicContact CZ-CD2 4.06Å; Y281-L330 HydrophobicContact CD2-CD1 3.9Å; Y281-L330 HydrophobicContact CD2-CD2 4.01Å; Y281-L330 HydrophobicContact CE2-CD2 4.2Å; Y281-L330 HydrophobicContact CG-CD1 4.37Å; V301-L330 HydrophobicContact CG2-CD2 3.79Å; N327-L330 HydrophobicContact CB-CB 4.05Å; N327-L330 PolarHBondContact O-N 3.3Å; N327-L330 PolarHBondContact OD1-N 3.43Å; L330-N332 VanDerWaalsContact C-N 3.35Å; L330-N332 PolarHBondContact O-N 3.2Å; L330-A333 PolarHBondContact O-N 3.43Å; L330-L334 HydrophobicContact CD1-CD1 4.29Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 3.11Å
331	Q	94.1	Very high	89.1	Confident	92 Å²	92	43.5 Å²	43.5	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-43.5	177.8	-72.2	178.2	3.9	0	0	111.7	T325 N327 K335	T325-Q331 PolarHBondContact O-NE2 3.43Å; N327-Q331 WeakPolarHBondContact O-CB 3.36Å; N327-Q331 WeakPolarHBondContact O-CG 3.48Å; N327-Q331 PolarHBondContact O-N 2.9Å; Q331-K335 VanDerWaalsContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CB 3.4Å; Q331-K335 PolarHBondContact O-N 3.01Å
332	N	92.6	Very high	87	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-41.9	176	-72.5	-14.6	0	0	0	111.7	S267 Y274 S328 C329 L330 K335 M336	S267-N332 PolarHBondContact O-ND2 3.48Å; Y274-N332 HydrophobicContact CE1-CB 3.83Å; S328-N332 VanDerWaalsContact O-CB 3.23Å; S328-N332 WeakPolarHBondContact O-CB 3.16Å; S328-N332 PolarHBondContact O-N 3Å; S328-N332 PolarHBondContact O-ND2 3.44Å; C329-N332 PolarHBondContact O-N 3.33Å; L330-N332 VanDerWaalsContact C-N 3.35Å; L330-N332 PolarHBondContact O-N 3.2Å; N332-K335 PolarHBondContact O-N 3.36Å; N332-M336 WeakPolarHBondContact O-CB 3.29Å; N332-M336 VanDerWaalsContact O-CG 3.26Å; N332-M336 WeakPolarHBondContact O-CG 3.16Å; N332-M336 PolarHBondContact O-N 3.08Å
333	A	92.7	Very high	84.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-48.3	177.4	0	0	0	0	0	111.9	Y274 L278 C329 L330 K335 M336 F337	Y274-A333 HydrophobicContact CD1-CB 3.66Å; Y274-A333 HydrophobicContact CG-CB 4.02Å; L278-A333 HydrophobicContact CD2-CB 4.02Å; L278-A333 HydrophobicContact CG-CB 4.06Å; C329-A333 WeakPolarHBondContact O-CB 3.47Å; C329-A333 PolarHBondContact O-N 3.2Å; L330-A333 PolarHBondContact O-N 3.43Å; A333-K335 VanDerWaalsContact C-N 3.34Å; A333-K335 PolarHBondContact O-N 3.2Å; A333-M336 PolarHBondContact O-N 3.47Å; A333-F337 WeakPolarHBondContact O-CB 3.38Å; A333-F337 PolarHBondContact O-N 3.14Å
334	L	92.7	Very high	82.5	Confident	20 Å²	20	55.9 Å²	55.9	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-42.8	176.6	-69.9	169.8	0	0	0	111.8	F205 L278 V301 L330 G338	F205-L334 HydrophobicContact CB-CD2 4.44Å; F205-L334 HydrophobicContact CD1-CD2 3.29Å; F205-L334 HydrophobicContact CE1-CD2 3.58Å; F205-L334 HydrophobicContact CG-CD2 3.96Å; F205-L334 HydrophobicContact CZ-CD2 4.45Å; L278-L334 HydrophobicContact CD2-CD2 3.75Å; L278-L334 HydrophobicContact CD2-CG 4.19Å; V301-L334 HydrophobicContact CG1-CD1 4.45Å; L330-L334 HydrophobicContact CD1-CD1 4.29Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 3.11Å; L334-G338 PolarHBondContact O-N 3.21Å; L334-G338 VanDerWaalsContact O-N 3.14Å
335	K	89.8	Confident	79.3	Confident	114 Å²	114	61.1 Å²	61.1	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-68.8	-41.5	-179.7	-173.7	178.5	-175.9	-179.3	0	112.6	Q331 N332 A333 G338 R339	Q331-K335 VanDerWaalsContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CB 3.4Å; Q331-K335 PolarHBondContact O-N 3.01Å; N332-K335 PolarHBondContact O-N 3.36Å; A333-K335 VanDerWaalsContact C-N 3.34Å; A333-K335 PolarHBondContact O-N 3.2Å; K335-G338 PolarHBondContact O-N 3.35Å; K335-R339 VanDerWaalsContact CE-NH2 3.3Å; K335-R339 WeakPolarHBondContact O-CG 3.04Å; K335-R339 PolarHBondContact O-N 2.81Å
336	M	88.1	Confident	76.4	Confident	60 Å²	60	63.7 Å²	63.7	30%	0.296	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-43.5	179.3	-74.6	-60.8	-60.2	0	0	111.2	Y274 N332 A333 G338 R339 E340	Y274-M336 HydrophobicContact CD2-CB 4.05Å; Y274-M336 HydrophobicContact CD2-CG 4.13Å; Y274-M336 HydrophobicContact CE2-CB 4.06Å; Y274-M336 HydrophobicContact CE2-CG 3.62Å; N332-M336 WeakPolarHBondContact O-CB 3.29Å; N332-M336 VanDerWaalsContact O-CG 3.26Å; N332-M336 WeakPolarHBondContact O-CG 3.16Å; N332-M336 PolarHBondContact O-N 3.08Å; A333-M336 PolarHBondContact O-N 3.47Å; M336-G338 VanDerWaalsContact C-N 3.29Å; M336-G338 PolarHBondContact O-N 3.11Å; M336-R339 PolarHBondContact O-N 2.97Å; M336-R339 VanDerWaalsContact O-N 3.15Å; M336-E340 PolarHBondContact O-N 2.94Å
337	F	87.3	Confident	73.2	Confident	11 Å²	11	65.7 Å²	65.7	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-43.4	173	-172.1	-91.6	0	0	0	111.8	Y125 H201 E202 F205 L278 A333 R339 S341	Y125-F337 HydrophobicContact CD1-CD2 4.48Å; Y125-F337 AromaticContact CD1-CE2 3.81Å; Y125-F337 HydrophobicContact CD1-CE2 3.81Å; Y125-F337 AromaticContact CE1-CD2 4Å; Y125-F337 HydrophobicContact CE1-CD2 4Å; Y125-F337 AromaticContact CE1-CE2 3.45Å; Y125-F337 HydrophobicContact CE1-CE2 3.45Å; Y125-F337 VanDerWaalsContact CE1-CE2 3.45Å; Y125-F337 HydrophobicContact CE2-CD2 4.11Å; Y125-F337 HydrophobicContact CE2-CE2 4.34Å; Y125-F337 HydrophobicContact CG-CE2 4.38Å; Y125-F337 AromaticContact CZ-CD2 3.76Å; Y125-F337 AromaticContact CZ-CE2 3.72Å; H201-F337 HydrophobicContact CB-CE1 4.28Å; H201-F337 HydrophobicContact CB-CE2 3.75Å; H201-F337 HydrophobicContact CB-CZ 3.55Å; H201-F337 WeakPolarHBondContact O-CE1 3.36Å; E202-F337 HydrophobicContact CG-CZ 4.16Å; F205-F337 HydrophobicContact CB-CD1 3.52Å; F205-F337 HydrophobicContact CB-CE1 3.79Å; F205-F337 HydrophobicContact CB-CG 4.36Å; L278-F337 HydrophobicContact CD1-CB 3.88Å; L278-F337 HydrophobicContact CD1-CD2 4.01Å; L278-F337 HydrophobicContact CD1-CG 4.07Å; A333-F337 WeakPolarHBondContact O-CB 3.38Å; A333-F337 PolarHBondContact O-N 3.14Å; F337-R339 PolarHBondContact O-N 2.87Å; F337-S341 WeakPolarHBondContact O-CB 3.47Å; F337-S341 PolarHBondContact O-N 3.37Å; F337-S341 VanDerWaalsContact O-N 3.16Å
338	G	81.4	Confident	70.1	Confident	8 Å²	8	71.1 Å²	71.1	8%	0.082	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-41.3	175.3	0	0	0	0	0	114	L334 K335 M336 S341 E342	L334-G338 PolarHBondContact O-N 3.21Å; L334-G338 VanDerWaalsContact O-N 3.14Å; K335-G338 PolarHBondContact O-N 3.35Å; M336-G338 VanDerWaalsContact C-N 3.29Å; M336-G338 PolarHBondContact O-N 3.11Å; G338-S341 WeakPolarHBondContact O-CB 3.4Å; G338-S341 PolarHBondContact O-N 3.33Å; G338-E342 WeakPolarHBondContact O-CG 3.46Å; G338-E342 PolarHBondContact O-N 3.29Å
339	R	76.1	Confident	66.8	Low	114 Å²	114	75.5 Å²	75.5	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-68.8	-42.8	-179.9	-76.2	174.2	170.1	-173.1	-8.7	113	K335 M336 F337 S341 E342 Q343	K335-R339 VanDerWaalsContact CE-NH2 3.3Å; K335-R339 WeakPolarHBondContact O-CG 3.04Å; K335-R339 PolarHBondContact O-N 2.81Å; M336-R339 PolarHBondContact O-N 2.97Å; M336-R339 VanDerWaalsContact O-N 3.15Å; F337-R339 PolarHBondContact O-N 2.87Å; R339-S341 PolarHBondContact O-N 3.39Å; R339-E342 PolarHBondContact O-N 2.87Å; R339-Q343 PolarHBondContact O-N 3.05Å
340	E	61.3	Low	63.6	Low	99 Å²	99	80.9 Å²	80.9	46%	0.463	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-33.7	173.9	-72.2	173.8	-179.1	0	0	110.6	R127 M336	R127-E340 PolarHBondContact NH1-O 2.98Å; M336-E340 PolarHBondContact O-N 2.94Å
341	S	56	Low	60.2	Low	3 Å²	3	85.8 Å²	85.8	2%	0.021	47%	0.465	C	S	.	.	H	α-helix	trans	-70.9	-32	172.6	-173.3	0	0	0	0	113.3	R127 R144 F337 G338 R339	R127-S341 PolarHBondContact NH1-O 2.94Å; R127-S341 PolarHBondContact NH2-O 2.03Å; R144-S341 PolarHBondContact NH2-O 3.03Å; F337-S341 WeakPolarHBondContact O-CB 3.47Å; F337-S341 PolarHBondContact O-N 3.37Å; F337-S341 VanDerWaalsContact O-N 3.16Å; G338-S341 WeakPolarHBondContact O-CB 3.4Å; G338-S341 PolarHBondContact O-N 3.33Å; R339-S341 PolarHBondContact O-N 3.39Å
342	E	53.8	Low	57.1	Low	98 Å²	98	90.6 Å²	90.6	46%	0.458	49%	0.488	S	S	.	.	H	α-helix	trans	-78.6	-41.1	178.3	-74.1	172.9	-176.7	0	0	115.2	P207 G338 R339 Q344	P207-E342 HydrophobicContact CB-CG 4.22Å; P207-E342 WeakPolarHBondContact CB-OE1 3.3Å; P207-E342 HydrophobicContact CG-CG 4.01Å; G338-E342 WeakPolarHBondContact O-CG 3.46Å; G338-E342 PolarHBondContact O-N 3.29Å; R339-E342 PolarHBondContact O-N 2.87Å; E342-Q344 PolarHBondContact O-N 3.37Å
343	Q	49.3	Very low	54.1	Low	157 Å²	157	93.7 Å²	93.7	73%	0.734	51%	0.514	S	S	*	.	S	Bend	trans	-71.2	7	-168.5	-101.3	157.8	-31.4	0	0	117.1	R339	R339-Q343 PolarHBondContact O-N 3.05Å
344	Q	47	Very low	51	Low	103 Å²	103	97.3 Å²	97.3	48%	0.481	55%	0.55	S	S	.	*			trans	-103.9	76.9	169	-66.2	179	7.6	0	0	109.8	R127 E342	R127-Q344 VanDerWaalsContact CD-CD 3.48Å; R127-Q344 VanDerWaalsContact CZ-CD 3.5Å; R127-Q344 VanDerWaalsContact NH1-CG 3.29Å; E342-Q344 PolarHBondContact O-N 3.37Å
345	T	31.9	Very low	47.9	Very low	114 Å²	114	99.7 Å²	99.7	70%	0.699	58%	0.58	S	S	*	*	S	Bend	trans	-85.7	136.8	145	-37.9	0	0	0	0	105.7	L347	T345-L347 PolarHBondContact O-N 3.25Å; T345-L347 VanDerWaalsContact O-N 3.13Å
346	P	35.3	Very low	44.9	Very low	114 Å²	114	102.7 Å²	102.7	74%	0.74	60%	0.602	S	S	*	*			trans	-56.5	125.2	178.5	-19.4	30	0	0	0	109.5	S348	P346-S348 PolarHBondContact O-N 3.32Å
347	L	27.3	Very low	42	Very low	171 Å²	171	111 Å²	111	90%	0.895	63%	0.63	S	S	*	*			trans	-63.7	102.6	172.6	-145.5	90	0	0	0	107.2	T345 T349	T345-L347 PolarHBondContact O-N 3.25Å; T345-L347 VanDerWaalsContact O-N 3.13Å; L347-T349 PolarHBondContact O-N 3Å
348	S	29	Very low	39.3	Very low	117 Å²	117	119.6 Å²	119.6	82%	0.818	67%	0.67	S	S	*	*			trans	-66	113.2	173.1	-46.7	0	0	0	0	109.4	P346	P346-S348 PolarHBondContact O-N 3.32Å
349	T	26.3	Very low	36.6	Very low	136 Å²	136	125 Å²	125	83%	0.834	71%	0.707	S	S	*	*			trans	-65.6	143.3	167.3	-11.1	0	0	0	0	109.7	L347	L347-T349 PolarHBondContact O-N 3Å
350	P	27.9	Very low	34.1	Very low	113 Å²	113	124.8 Å²	124.8	73%	0.734	72%	0.722	S	S	*	*			trans	-80.3	131.9	-168.4	29.7	-31.5	0	0	0	113.5
351	S	25.3	Very low	32.3	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	74%	0.742	S	S	*	*			trans	46.3	111.9	146.6	59.3	0	0	0	0	119.6
352	H	29.1	Very low	30.7	Very low	194 Å²	194	137.3 Å²	137.3	90%	0.898	78%	0.783	S	S	*	*			trans	-120.1	126.1	132.1	-101.4	-60.3	0	0	0	110.2
353	S	29.4	Very low	29.3	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	80%	0.801	S	S	*	*			trans	-56.3	129.8	177.6	45.7	0	0	0	0	113.9
354	G	27.1	Very low	28.2	Very low	75 Å²	75	138.5 Å²	138.5	77%	0.773	80%	0.797	S	S	*	*			trans	-158.5	100	161.5	0	0	0	0	0	107.3
355	G	27.7	Very low	27.1	Very low	71 Å²	71	142 Å²	142	73%	0.732	81%	0.813	S	S	*	*			trans	-72.8	145	179.4	0	0	0	0	0	111
356	D	26.8	Very low	26.8	Very low	177 Å²	177	143.3 Å²	143.3	95%	0.947	82%	0.821	S	S	*	*			trans	-156.5	140.9	138.2	-100.2	-33.1	0	0	0	111.8
357	R	26.5	Very low	26.5	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	82%	0.824	S	S	*	*			trans	-88.9	135.4	-178.9	-73.5	169.5	160.5	-179.9	-5.4	109.5
358	Q	29.8	Very low	26.4	Very low	191 Å²	191	146 Å²	146	89%	0.893	82%	0.822	S	S	*	*			trans	-178.5	105.5	140.8	-101.1	157.6	13.4	0	0	108
359	S	24.9	Very low	26.3	Very low	122 Å²	122	146.1 Å²	146.1	85%	0.853	82%	0.818	S	S	*	*				72.7	124.7	86.9	-148	0	0	0	0	114.1
360	S	24	Very low	26.3	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	82%	0.821	S	S	*	*			trans	-72	149.5	-163.8	-50.7	0	0	0	0	115.5
361	T	23.6	Very low	26.2	Very low	142 Å²	142	150.9 Å²	150.9	87%	0.871	82%	0.824	S	S	*	*			trans	-150.4	113.4	139.8	-31.4	0	0	0	0	110.7
362	Y	22	Very low	26.2	Very low	223 Å²	223	152.7 Å²	152.7	88%	0.875	83%	0.825	S	S	*	*			trans	-83.1	139.8	159.5	-98.7	-94.4	0	0	0	108.6
363	Q	25.4	Very low	26	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	82%	0.82	S	S	*	*			trans	-158.2	156.9	146.4	-90.1	-112.9	-13.5	0	0	110.2
364	P	26.1	Very low	25.9	Very low	98 Å²	98	153.7 Å²	153.7	64%	0.636	83%	0.826	S	S	*	*			trans	-116.8	164.8	-144.5	38	-25.6	0	0	0	116.4
365	Q	23.7	Very low	25.8	Very low	176 Å²	176	158.2 Å²	158.2	82%	0.822	83%	0.827	S	S	*	*			trans	63.7	126.5	152.7	-74.2	-177.6	-14.6	0	0	120.8
366	T	24.6	Very low	25.8	Very low	142 Å²	142	160.6 Å²	160.6	87%	0.871	83%	0.829	S	S	*	*				-156.5	131.1	120.1	18.8	0	0	0	0	110.7
367	I	29	Very low	25.9	Very low	155 Å²	155	160.1 Å²	160.1	80%	0.795	83%	0.825	S	S	*	*			trans	-84.1	121.1	167.3	-67.8	170.2	0	0	0	106
368	E	25.9	Very low	26	Very low	185 Å²	185	156 Å²	156	86%	0.864	82%	0.819	S	S	*	*			trans	-126.8	114.9	160.6	-93	-174.1	164.1	0	0	110.2
369	T	26.4	Very low	26	Very low	120 Å²	120	152.6 Å²	152.6	74%	0.736	81%	0.813	S	S	*	*			trans	-65.6	128.6	168	-45.6	0	0	0	0	109.3
370	M	27.3	Very low	26	Very low	180 Å²	180	153.4 Å²	153.4	89%	0.887	81%	0.813	S	S	*	*			trans	-134.9	117.2	155.9	-74.1	-161.9	79.3	0	0	110.7
371	E	25.3	Very low	26	Very low	169 Å²	169	157.3 Å²	157.3	79%	0.79	82%	0.819	S	S	*	*			trans	-65.5	144.9	166.9	-75.8	176.9	119.5	0	0	111.8
372	N	25.4	Very low	26.1	Very low	143 Å²	143	155.7 Å²	155.7	77%	0.765	82%	0.82	S	S	*	*			trans	18.5	128.4	146	-62.1	-41.8	0	0	0	119.5
373	I	25.2	Very low	26.1	Very low	154 Å²	154	153 Å²	153	79%	0.79	82%	0.82	S	S	*	*				-151.5	120.7	120.6	-84.4	130.3	0	0	0	108	E375	I373-E375 HydrophobicContact CG2-CB 4.5Å; I373-E375 HydrophobicContact CG2-CG 4.04Å
374	L	26.2	Very low	26	Very low	179 Å²	179	147.7 Å²	147.7	94%	0.937	81%	0.814	S	S	*	*			trans	-91.6	113.7	169.3	-145.7	83.5	0	0	0	106.5
375	E	26	Very low	25.8	Very low	170 Å²	170	150 Å²	150	79%	0.794	82%	0.821	S	S	*	*			trans	-127.9	132.4	166.6	-89.3	-169.4	163.5	0	0	111.5	I373	I373-E375 HydrophobicContact CG2-CB 4.5Å; I373-E375 HydrophobicContact CG2-CG 4.04Å
376	P	28.1	Very low	25.9	Very low	120 Å²	120	150 Å²	150	78%	0.779	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-90	126.5	176	32.7	-28.8	0	0	0	111.7
377	I	28.7	Very low	25.8	Very low	167 Å²	167	149.9 Å²	149.9	86%	0.856	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.8	121.7	174.9	-62.6	166.9	0	0	0	109.8
378	I	29.5	Very low	25.5	Very low	149 Å²	149	150.1 Å²	150.1	76%	0.764	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.2	145.8	167.8	-61.9	167.5	0	0	0	108.6
379	P	28.1	Very low	25.5	Very low	118 Å²	118	148 Å²	148	77%	0.766	82%	0.816	S	S	*	*			trans	-119.8	150.5	144.9	3.5	17.5	0	0	0	114.9
380	T	25.2	Very low	25.3	Very low	139 Å²	139	148.5 Å²	148.5	85%	0.853	81%	0.814	S	S	*	*			trans	-64	158.4	-167.1	-33.5	0	0	0	0	115.8
381	Q	24.4	Very low	25.2	Very low	192 Å²	192	148.8 Å²	148.8	90%	0.897	81%	0.813	S	S	*	*			trans	-67.1	148.5	177.2	-58.2	177.2	-5.2	0	0	113.3
382	A	24.8	Very low	25	Very low	107 Å²	107	147.3 Å²	147.3	88%	0.884	81%	0.811	S	S	*	*			trans	-134.3	126.7	154.7	0	0	0	0	0	109.6
383	L	22.1	Very low	25	Very low	167 Å²	167	146.8 Å²	146.8	87%	0.874	81%	0.812	S	S	*	*			trans	-88.2	139.3	-176.9	174.9	71.6	0	0	0	109.7
384	G	24	Very low	25	Very low	71 Å²	71	147.4 Å²	147.4	73%	0.732	82%	0.817	S	S	*	*			trans	-172.9	107.4	169.4	0	0	0	0	0	111.5
385	N	22.7	Very low	25.1	Very low	148 Å²	148	144 Å²	144	79%	0.791	81%	0.805	S	S	*	*			trans	-92.1	174.5	174.6	-81.1	-17.9	0	0	0	111
386	E	24.1	Very low	25	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	81%	0.809	S	S	*	*			trans	95.9	139.4	169.1	-60.7	-155.3	135.1	0	0	115.2
387	L	23.6	Very low	24.9	Very low	139 Å²	139	143.4 Å²	143.4	73%	0.728	81%	0.811	S	S	*	*			cis	-168.7	159.7	-18.9	-128.2	152.1	0	0	0	105.5
388	L	23.6	Very low	24.7	Very low	159 Å²	159	140.7 Å²	140.7	83%	0.832	81%	0.807	S	S	*	*			trans	-58.1	138.7	178.8	-66.5	157.5	0	0	0	114
389	V	25.7	Very low	24.6	Very low	142 Å²	142	140.9 Å²	140.9	86%	0.861	81%	0.809	S	S	*	*			trans	-140.1	123.4	145	-179.4	0	0	0	0	109.4
390	D	21.4	Very low	24.5	Very low	130 Å²	130	140.8 Å²	140.8	70%	0.695	81%	0.808	S	S	*	*			trans	-89.1	142	175.1	-167.9	23.4	0	0	0	109.2
391	H	25.7	Very low	24.7	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.856	81%	0.806	S	S	*	*			trans	-154.6	106.8	162.8	-109.3	36.6	0	0	0	111.2
392	D	21.4	Very low	25	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	81%	0.807	S	S	*	*			trans	-77.3	144	161	-89.8	-41.2	0	0	0	111.1
393	T	25.5	Very low	25.5	Very low	131 Å²	131	139.6 Å²	139.6	80%	0.804	80%	0.798	S	S	*	*			trans	-172.6	106.7	137.2	14.7	0	0	0	0	112.9
394	L	25.3	Very low	26.2	Very low	168 Å²	168	135 Å²	135	88%	0.88	78%	0.779	S	S	*	*			trans	41.4	162.1	133.2	-99	98.4	0	0	0	124.3
395	P	27.1	Very low	27	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	77%	0.77	S	S	*	*			trans	-102.8	165.3	-136.9	42.1	-38	0	0	0	114.3
396	S	24.8	Very low	28.1	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	76%	0.759	S	S	*	*			trans	-115.7	141.9	168.1	-162.1	0	0	0	0	111.7
397	N	24.4	Very low	29	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	75%	0.75	S	S	*	*			trans	-71.2	154.6	-164.3	-74	-41.8	0	0	0	115.1
398	S	26.1	Very low	30.1	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	74%	0.741	S	S	*	*			trans	-61.6	137.5	172.2	49.2	0	0	0	0	114.8
399	L	26.1	Very low	31.5	Very low	153 Å²	153	126.5 Å²	126.5	80%	0.801	72%	0.722	S	S	*	*			trans	-128.7	133.2	155.7	-142.1	84.1	0	0	0	108.6
400	P	26.8	Very low	32.7	Very low	116 Å²	116	122.4 Å²	122.4	75%	0.753	70%	0.695	S	S	*	*			trans	-78.8	122.6	-177.8	28.9	-31.8	0	0	0	111.4
401	N	29.2	Very low	34.3	Very low	150 Å²	150	122.1 Å²	122.1	80%	0.802	69%	0.69	S	S	*	*			trans	-100.2	107.6	171.2	-80	-27.9	0	0	0	109.9	A403	N401-A403 PolarHBondContact O-N 3.1Å
402	L	31.4	Very low	36	Very low	176 Å²	176	115.4 Å²	115.4	92%	0.921	67%	0.666	S	S	*	*			trans	-75.3	104.8	155.8	-92.3	83.3	0	0	0	107.6
403	A	35	Very low	38	Very low	86 Å²	86	109 Å²	109	71%	0.711	63%	0.632	S	S	*	*			trans	-106.4	132.4	168.7	0	0	0	0	0	109.6	N401	N401-A403 PolarHBondContact O-N 3.1Å
404	P	35.3	Very low	40.1	Very low	72 Å²	72	107.7 Å²	107.7	47%	0.468	62%	0.616	S	S	.	*			trans	-71.5	158.9	178.1	29.3	-32.7	0	0	0	111.7	M409	P404-M409 HydrophobicContact CG-CG 4.13Å; P404-M409 HydrophobicContact CG-SD 3.78Å
405	P	41.9	Very low	42.1	Very low	82 Å²	82	103 Å²	103	53%	0.532	60%	0.597	S	S	.	*			trans	-61.7	142	-174	23.1	-33.1	0	0	0	113.1	N407 Q408 M409	P405-N407 PolarHBondContact O-N 3.39Å; P405-Q408 HydrophobicContact CG-CG 4.41Å; P405-Q408 WeakPolarHBondContact O-CB 3.4Å; P405-Q408 PolarHBondContact O-N 3.45Å; P405-M409 PolarHBondContact O-N 3.29Å
406	L	46.3	Very low	44.3	Very low	110 Å²	110	101.7 Å²	101.7	58%	0.576	58%	0.583	S	S	*	*	H	α-helix	trans	-48.1	-33.6	-175.1	-171.1	67.1	0	0	0	114.6	L20 M409 L410	L20-L406 HydrophobicContact CD2-CD1 3.46Å; L20-L406 VanDerWaalsContact CD2-CD1 3.46Å; L406-M409 PolarHBondContact O-N 2.93Å; L406-L410 WeakPolarHBondContact O-CB 3.45Å; L406-L410 PolarHBondContact O-N 3.46Å
407	N	41.7	Very low	46.6	Very low	116 Å²	116	96.6 Å²	96.6	62%	0.62	55%	0.546	S	S	*	.	H	α-helix	trans	-69.9	-34.5	179.7	-157.5	22.6	0	0	0	112.8	P405 Q411	P405-N407 PolarHBondContact O-N 3.39Å; N407-Q411 WeakPolarHBondContact O-CB 3.32Å; N407-Q411 PolarHBondContact O-N 3.47Å; N407-Q411 VanDerWaalsContact O-N 3.08Å
408	Q	47.4	Very low	48.9	Very low	115 Å²	115	94.7 Å²	94.7	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-73.3	-36.4	174.3	-80.3	177.9	-26.1	0	0	111.5	P405 A412	P405-Q408 HydrophobicContact CG-CG 4.41Å; P405-Q408 WeakPolarHBondContact O-CB 3.4Å; P405-Q408 PolarHBondContact O-N 3.45Å; Q408-A412 WeakPolarHBondContact O-CB 3.38Å; Q408-A412 PolarHBondContact O-N 3.44Å
409	M	53.3	Low	51.1	Low	90 Å²	90	94.8 Å²	94.8	44%	0.443	53%	0.527	S	S	.	.	H	α-helix	trans	-67.3	-38.8	176.3	-67.7	-70.1	-91.1	0	0	111.6	P404 P405 L406 A412 A413	P404-M409 HydrophobicContact CG-CG 4.13Å; P404-M409 HydrophobicContact CG-SD 3.78Å; P405-M409 PolarHBondContact O-N 3.29Å; L406-M409 PolarHBondContact O-N 2.93Å; M409-A412 PolarHBondContact O-N 3.31Å; M409-A413 VanDerWaalsContact O-CB 3.29Å; M409-A413 WeakPolarHBondContact O-CB 3.36Å; M409-A413 PolarHBondContact O-N 3.36Å
410	L	50.7	Low	53.2	Low	56 Å²	56	88.3 Å²	88.3	29%	0.293	49%	0.493	S	S	.	.	H	α-helix	trans	-69.5	-44.7	176.8	-162.3	70.5	0	0	0	111.6	L20 L406 A412 A413 F414	L20-L410 HydrophobicContact CB-CD1 4.37Å; L20-L410 HydrophobicContact CD1-CD1 4.3Å; L406-L410 WeakPolarHBondContact O-CB 3.45Å; L406-L410 PolarHBondContact O-N 3.46Å; L410-A412 VanDerWaalsContact C-N 3.32Å; L410-A412 PolarHBondContact O-N 2.88Å; L410-A413 PolarHBondContact O-N 3.28Å; L410-F414 HydrophobicContact CD1-CD2 4.35Å; L410-F414 HydrophobicContact CD1-CE2 4.15Å; L410-F414 HydrophobicContact CG-CD2 4.05Å; L410-F414 HydrophobicContact CG-CE2 4.11Å; L410-F414 WeakPolarHBondContact O-CB 3.45Å; L410-F414 WeakPolarHBondContact O-CD2 3.48Å; L410-F414 PolarHBondContact O-N 3.09Å
411	Q	55.6	Low	55.2	Low	124 Å²	124	85.8 Å²	85.8	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-61.6	-39.7	173.5	-81.8	-177.2	-43.6	0	0	112.5	N407 S415	N407-Q411 WeakPolarHBondContact O-CB 3.32Å; N407-Q411 PolarHBondContact O-N 3.47Å; N407-Q411 VanDerWaalsContact O-N 3.08Å; Q411-S415 VanDerWaalsContact O-CB 3.3Å; Q411-S415 WeakPolarHBondContact O-CB 3.41Å; Q411-S415 PolarHBondContact O-N 2.99Å; Q411-S415 PolarHBondContact O-OG 3.11Å
412	A	60	Low	57.2	Low	44 Å²	44	85.5 Å²	85.5	36%	0.364	47%	0.466	S	S	.	.	H	α-helix	trans	-64.9	-45.8	175.3	0	0	0	0	0	111.2	Q408 M409 L410 F414 S415 I416	Q408-A412 WeakPolarHBondContact O-CB 3.38Å; Q408-A412 PolarHBondContact O-N 3.44Å; M409-A412 PolarHBondContact O-N 3.31Å; L410-A412 VanDerWaalsContact C-N 3.32Å; L410-A412 PolarHBondContact O-N 2.88Å; A412-F414 PolarHBondContact O-N 3.38Å; A412-S415 PolarHBondContact O-N 2.98Å; A412-I416 WeakPolarHBondContact O-CB 3.37Å; A412-I416 WeakPolarHBondContact O-CD1 2.96Å; A412-I416 WeakPolarHBondContact O-CG1 3.41Å; A412-I416 PolarHBondContact O-N 3.14Å
413	A	64.3	Low	58.9	Low	4 Å²	4	81.7 Å²	81.7	3%	0.033	45%	0.453	C	S	.	.	H	α-helix	trans	-61.6	-43.3	177.5	0	0	0	0	0	112.2	I17 M409 L410 I416 L417	I17-A413 HydrophobicContact CG1-CB 4.16Å; M409-A413 VanDerWaalsContact O-CB 3.29Å; M409-A413 WeakPolarHBondContact O-CB 3.36Å; M409-A413 PolarHBondContact O-N 3.36Å; L410-A413 PolarHBondContact O-N 3.28Å; A413-I416 PolarHBondContact O-N 3.13Å; A413-L417 WeakPolarHBondContact O-CB 2.96Å; A413-L417 PolarHBondContact O-N 2.87Å
414	F	69.1	Low	60.2	Low	105 Å²	105	79.8 Å²	79.8	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-39.3	174.8	-93.5	-85.7	0	0	0	112.7	L410 A412 L417 L418	L410-F414 HydrophobicContact CD1-CD2 4.35Å; L410-F414 HydrophobicContact CD1-CE2 4.15Å; L410-F414 HydrophobicContact CG-CD2 4.05Å; L410-F414 HydrophobicContact CG-CE2 4.11Å; L410-F414 WeakPolarHBondContact O-CB 3.45Å; L410-F414 WeakPolarHBondContact O-CD2 3.48Å; L410-F414 PolarHBondContact O-N 3.09Å; A412-F414 PolarHBondContact O-N 3.38Å; F414-L417 PolarHBondContact O-N 3.46Å; F414-L418 PolarHBondContact O-N 3.49Å
415	S	68.3	Low	61.6	Low	69 Å²	69	85 Å²	85	48%	0.483	44%	0.442	S	S	.	.	H	α-helix	trans	-67.5	-39.5	177.8	-58.2	0	0	0	0	111.7	Q411 A412 L418 L419	Q411-S415 VanDerWaalsContact O-CB 3.3Å; Q411-S415 WeakPolarHBondContact O-CB 3.41Å; Q411-S415 PolarHBondContact O-N 2.99Å; Q411-S415 PolarHBondContact O-OG 3.11Å; A412-S415 PolarHBondContact O-N 2.98Å; S415-L418 PolarHBondContact O-N 2.02Å; S415-L419 WeakPolarHBondContact O-CB 3.06Å; S415-L419 PolarHBondContact O-N 3.1Å
416	I	73.4	Confident	62.3	Low	81 Å²	81	83.3 Å²	83.3	42%	0.415	44%	0.44	S	S	.	.	H	α-helix	trans	-66	-42.8	174.6	-67.2	163.7	0	0	0	110.2	T13 A412 A413 L418 L419 L420	T13-I416 HydrophobicContact CG2-CG2 3.91Å; A412-I416 WeakPolarHBondContact O-CB 3.37Å; A412-I416 WeakPolarHBondContact O-CD1 2.96Å; A412-I416 WeakPolarHBondContact O-CG1 3.41Å; A412-I416 PolarHBondContact O-N 3.14Å; A413-I416 PolarHBondContact O-N 3.13Å; I416-L418 PolarHBondContact O-N 2.97Å; I416-L419 PolarHBondContact O-N 3.17Å; I416-L420 HydrophobicContact CG2-CD1 3.83Å; I416-L420 HydrophobicContact CG2-CG 4.33Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.36Å; I416-L420 PolarHBondContact O-N 3.22Å
417	L	72.9	Confident	62.5	Low	18 Å²	18	90.4 Å²	90.4	9%	0.094	47%	0.47	C	S	.	.	H	α-helix	trans	-61.1	-43	176.5	-173.2	66.7	0	0	0	111.6	M10 F14 I17 A413 F414 L420 L421	M10-L417 HydrophobicContact CG-CD1 4.42Å; F14-L417 HydrophobicContact CD2-CD1 4.37Å; F14-L417 HydrophobicContact CE1-CD2 4.4Å; F14-L417 HydrophobicContact CE2-CD1 3.73Å; F14-L417 HydrophobicContact CZ-CD1 3.85Å; F14-L417 HydrophobicContact CZ-CD2 4.25Å; I17-L417 HydrophobicContact CD1-CD2 3.93Å; A413-L417 WeakPolarHBondContact O-CB 2.96Å; A413-L417 PolarHBondContact O-N 2.87Å; F414-L417 PolarHBondContact O-N 3.46Å; L417-L420 PolarHBondContact O-N 2.86Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 WeakPolarHBondContact O-CD1 3.33Å; L417-L421 PolarHBondContact O-N 3.24Å
418	L	72.2	Confident	63.5	Low	110 Å²	110	89.2 Å²	89.2	58%	0.576	46%	0.462	S	S	*	.	H	α-helix	trans	-63.2	-42.2	175.9	-119.3	92.9	0	0	0	112.4	F414 S415 I416 L421 H422	F414-L418 PolarHBondContact O-N 3.49Å; S415-L418 PolarHBondContact O-N 2.02Å; I416-L418 PolarHBondContact O-N 2.97Å; L418-L421 PolarHBondContact O-N 3.17Å; L418-H422 PolarHBondContact O-N 3.43Å
419	L	72.3	Confident	64.4	Low	114 Å²	114	87.8 Å²	87.8	60%	0.597	46%	0.458	S	S	*	.	H	α-helix	trans	-62	-44	175.8	-98.1	150.6	0	0	0	111.7	S415 I416 H422 C423	S415-L419 WeakPolarHBondContact O-CB 3.06Å; S415-L419 PolarHBondContact O-N 3.1Å; I416-L419 PolarHBondContact O-N 3.17Å; L419-H422 PolarHBondContact O-N 3.49Å; L419-C423 PolarHBondContact O-N 2.77Å; L419-C423 PolarHBondContact O-SG 3.05Å; L419-C423 VanDerWaalsContact O-SG 3.33Å
420	L	69.7	Low	65	Low	16 Å²	16	87.7 Å²	87.7	8%	0.084	46%	0.459	C	S	.	.	H	α-helix	trans	-66.4	-39.1	177.8	-68	168.4	0	0	0	111.9	V6 T13 I416 L417 C423 L424	V6-L420 HydrophobicContact CG1-CD2 4Å; T13-L420 HydrophobicContact CG2-CD1 4.25Å; I416-L420 HydrophobicContact CG2-CD1 3.83Å; I416-L420 HydrophobicContact CG2-CG 4.33Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.36Å; I416-L420 PolarHBondContact O-N 3.22Å; L417-L420 PolarHBondContact O-N 2.86Å; L420-C423 PolarHBondContact O-N 3Å; L420-L424 WeakPolarHBondContact O-CG 3.48Å; L420-L424 PolarHBondContact O-N 3.21Å; L420-L424 VanDerWaalsContact O-N 3.11Å
421	L	70	Confident	65.8	Low	64 Å²	64	89.5 Å²	89.5	34%	0.335	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-41.5	173.2	-85.7	153.1	0	0	0	112.1	L417 L418 C423 L424 Y425	L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 WeakPolarHBondContact O-CD1 3.33Å; L417-L421 PolarHBondContact O-N 3.24Å; L418-L421 PolarHBondContact O-N 3.17Å; L421-C423 VanDerWaalsContact C-N 3.34Å; L421-L424 PolarHBondContact O-N 3.28Å; L421-Y425 HydrophobicContact CD2-CD2 4.21Å; L421-Y425 HydrophobicContact CD2-CE2 4.23Å; L421-Y425 PolarHBondContact O-N 3.3Å
422	H	69.9	Low	66.4	Low	144 Å²	144	87.4 Å²	87.4	67%	0.667	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-35.6	173.1	-97.1	4.3	0	0	0	112.8	L418 L419 L424 G426	L418-H422 PolarHBondContact O-N 3.43Å; L419-H422 PolarHBondContact O-N 3.49Å; H422-L424 VanDerWaalsContact C-N 3.31Å; H422-L424 PolarHBondContact O-N 3.38Å; H422-G426 VanDerWaalsContact O-CA 3.24Å; H422-G426 WeakPolarHBondContact O-CA 3.5Å; H422-G426 PolarHBondContact O-N 3.36Å
423	C	67.3	Low	66.9	Low	95 Å²	95	90.3 Å²	90.3	64%	0.642	47%	0.469	S	S	*	.	H	α-helix	trans	-70.6	-24	174.4	-69.4	0	0	0	0	113.9	L419 L420 L421	L419-C423 PolarHBondContact O-N 2.77Å; L419-C423 PolarHBondContact O-SG 3.05Å; L419-C423 VanDerWaalsContact O-SG 3.33Å; L420-C423 PolarHBondContact O-N 3Å; L421-C423 VanDerWaalsContact C-N 3.34Å
424	L	63	Low	67.1	Low	47 Å²	47	96.4 Å²	96.4	25%	0.246	50%	0.5	C	S	.	.	H	α-helix	trans	-89.2	-33	179.2	-74.4	167.3	0	0	0	113.5	V6 Y7 M10 L420 L421 H422	V6-L424 HydrophobicContact CB-CD2 4.25Å; V6-L424 HydrophobicContact CG1-CD1 3.85Å; V6-L424 HydrophobicContact CG1-CD2 3.76Å; V6-L424 HydrophobicContact CG1-CG 3.63Å; Y7-L424 HydrophobicContact CE2-CD2 4.4Å; M10-L424 HydrophobicContact SD-CD1 3.8Å; L420-L424 WeakPolarHBondContact O-CG 3.48Å; L420-L424 PolarHBondContact O-N 3.21Å; L420-L424 VanDerWaalsContact O-N 3.11Å; L421-L424 PolarHBondContact O-N 3.28Å; H422-L424 VanDerWaalsContact C-N 3.31Å; H422-L424 PolarHBondContact O-N 3.38Å
425	Y	65.1	Low	66.9	Low	180 Å²	180	95.8 Å²	95.8	71%	0.706	50%	0.503	S	S	*	.	H	α-helix	trans	-118.7	-4.3	-172.8	-70.5	-83.1	0	0	0	114.4	L421 H427	L421-Y425 HydrophobicContact CD2-CD2 4.21Å; L421-Y425 HydrophobicContact CD2-CE2 4.23Å; L421-Y425 PolarHBondContact O-N 3.3Å; Y425-H427 PolarHBondContact O-N 3.37Å
426	G	55.6	Low	66.8	Low	48 Å²	48	98 Å²	98	50%	0.495	51%	0.505	S	S	.	.			trans	-85.9	76	175.8	0	0	0	0	0	111.9	H422	H422-G426 VanDerWaalsContact O-CA 3.24Å; H422-G426 WeakPolarHBondContact O-CA 3.5Å; H422-G426 PolarHBondContact O-N 3.36Å
427	H	50.3	Low	66.2	Low	259 Å²	259	99.5 Å²	99.5	100%	1.199	51%	0.513	S	S	*	.			trans	-143.8	0	155.4	-106	-57.2	0	0	0	110.6	Y425	Y425-H427 PolarHBondContact O-N 3.37Å

Retrieved 427 of 427 residues in 142.8 ms (Link to these results)

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