A0A087X812_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A3P9NBY3), UniProt , Accession A0A087X812, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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	47.8	Very low	72.6	Confident	137 Å²	137	66.8 Å²	66.8	68%	0.675	38%	0.38	S	S	*	.				0	145	0	-89.3	-177.6	-77.6	0	0	107.7	P57 S86	M1-P57 HydrophobicContact CE-CB 4.4Å; M1-P57 HydrophobicContact CE-CG 3.71Å; M1-S86 WeakPolarHBondContact CE-O 3.02Å
2	S	51.2	Low	73.7	Confident	79 Å²	79	62.5 Å²	62.5	55%	0.552	35%	0.354	S	S	*	.			trans	-65.7	154.1	-179.7	44.1	0	0	0	0	111.5	S4 G5	S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 PolarHBondContact OG-OG 3.03Å; S2-G5 PolarHBondContact O-N 3.38Å
3	V	59.9	Low	74.6	Confident	119 Å²	119	57.7 Å²	57.7	72%	0.721	33%	0.327	S	S	*	.	H	α-helix	trans	-44.6	-26.9	170.8	176.5	0	0	0	0	112.7	G5 K7	V3-G5 VanDerWaalsContact C-N 3.34Å; V3-G5 PolarHBondContact O-N 3.5Å; V3-K7 PolarHBondContact O-N 3.21Å
4	S	64.2	Low	75.3	Confident	79 Å²	79	60.6 Å²	60.6	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-30.6	174.8	58.8	0	0	0	0	115	S2 A8	S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 PolarHBondContact OG-OG 3.03Å; S4-A8 PolarHBondContact O-N 3.29Å
5	G	73.8	Confident	75.9	Confident	21 Å²	21	62.4 Å²	62.4	22%	0.216	36%	0.355	C	S	.	.	H	α-helix	trans	-70.1	-45	178.4	0	0	0	0	0	112.4	S2 V3 A8 E9	S2-G5 PolarHBondContact O-N 3.38Å; V3-G5 VanDerWaalsContact C-N 3.34Å; V3-G5 PolarHBondContact O-N 3.5Å; G5-A8 WeakPolarHBondContact O-CB 3.49Å; G5-A8 PolarHBondContact O-N 3.34Å; G5-E9 PolarHBondContact O-N 3.08Å
6	L	80.9	Confident	76.3	Confident	20 Å²	20	59.1 Å²	59.1	11%	0.105	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-41.9	177.1	179.1	58.7	0	0	0	112	A8 E9 L10 P31 I52 Y56 L89	L6-A8 PolarHBondContact O-N 3.14Å; L6-E9 WeakPolarHBondContact O-CB 3.46Å; L6-E9 PolarHBondContact O-N 3.19Å; L6-E9 VanDerWaalsContact O-N 3.16Å; L6-L10 HydrophobicContact CD1-CD1 4.17Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.76Å; L6-P31 WeakPolarHBondContact CD2-O 3.35Å; L6-I52 HydrophobicContact CD1-CD1 4.25Å; L6-I52 HydrophobicContact CD1-CG2 4.3Å; L6-I52 HydrophobicContact CD2-CG2 3.68Å; L6-Y56 HydrophobicContact CB-CD1 4.25Å; L6-Y56 HydrophobicContact CB-CE1 4.27Å; L6-Y56 HydrophobicContact CD1-CD1 3.94Å; L6-Y56 HydrophobicContact CD1-CE1 3.7Å; L6-Y56 HydrophobicContact CD2-CD1 4.21Å; L6-Y56 HydrophobicContact CG-CD1 4.36Å; L6-Y56 HydrophobicContact CG-CE1 4.45Å; L6-L89 HydrophobicContact CD1-CD2 4.07Å
7	K	81.8	Confident	76.9	Confident	118 Å²	118	55.6 Å²	55.6	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-32.1	175.8	-167.5	171.3	-174.8	170.9	0	112.2	V3 K11 W29	V3-K7 PolarHBondContact O-N 3.21Å; K7-K11 WeakPolarHBondContact O-CB 3.26Å; K7-K11 WeakPolarHBondContact O-CG 3.36Å; K7-K11 PolarHBondContact O-N 2.97Å; K7-K11 VanDerWaalsContact O-N 3.13Å; K7-W29 HydrophobicContact CG-CH2 4.13Å; K7-W29 HydrophobicContact CG-CZ3 4.41Å
8	A	82.4	Confident	77	Confident	36 Å²	36	56.4 Å²	56.4	30%	0.298	32%	0.319	S	S	.	.	H	α-helix	trans	-71.2	-40.6	173.8	0	0	0	0	0	111.8	S4 G5 L6 F12 L119	S4-A8 PolarHBondContact O-N 3.29Å; G5-A8 WeakPolarHBondContact O-CB 3.49Å; G5-A8 PolarHBondContact O-N 3.34Å; L6-A8 PolarHBondContact O-N 3.14Å; A8-F12 VanDerWaalsContact O-CB 3.32Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 3.32Å; A8-L119 HydrophobicContact CB-CD1 4.29Å
9	E	85.6	Confident	76.9	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.019	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-48.3	172.9	-68.5	-175.3	-107.6	0	0	111.7	G5 L6 F12 L13 Y56 T87 L89 L90 L119	G5-E9 PolarHBondContact O-N 3.08Å; L6-E9 WeakPolarHBondContact O-CB 3.46Å; L6-E9 PolarHBondContact O-N 3.19Å; L6-E9 VanDerWaalsContact O-N 3.16Å; E9-F12 WeakPolarHBondContact O-CB 3.23Å; E9-F12 PolarHBondContact O-N 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.49Å; E9-L13 PolarHBondContact O-N 3.39Å; E9-Y56 VanDerWaalsContact CD-OH 3.25Å; E9-Y56 WeakPolarHBondContact OE1-CE1 3.5Å; E9-Y56 PolarHBondContact OE1-OH 2.8Å; E9-Y56 PolarHBondContact OE2-OH 2.94Å; E9-Y56 VanDerWaalsContact OE2-OH 3.04Å; E9-T87 HydrophobicContact CG-CG2 4.25Å; E9-T87 WeakPolarHBondContact OE2-CA 3.44Å; E9-L89 HydrophobicContact CB-CD2 4.48Å; E9-L89 WeakPolarHBondContact OE2-CB 3.14Å; E9-L90 HydrophobicContact CB-CD2 4.33Å; E9-L90 HydrophobicContact CB-CG 4.41Å; E9-L90 HydrophobicContact CG-CD1 4.44Å; E9-L90 HydrophobicContact CG-CG 4.26Å; E9-L119 HydrophobicContact CG-CD1 3.89Å; E9-L119 HydrophobicContact CG-CD2 4.21Å
10	L	85.9	Confident	76.8	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-42.1	-178.8	-67.7	163.6	0	0	0	112.4	L6 F12 L13 E14 W29 L34 I52 L89	L6-L10 HydrophobicContact CD1-CD1 4.17Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.76Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.45Å; L10-L13 WeakPolarHBondContact O-CB 3.2Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-E14 PolarHBondContact O-N 2.84Å; L10-W29 HydrophobicContact CB-CD2 3.75Å; L10-W29 HydrophobicContact CB-CE3 3.46Å; L10-W29 VanDerWaalsContact CB-CE3 3.46Å; L10-W29 HydrophobicContact CB-CG 4.41Å; L10-W29 HydrophobicContact CB-CH2 4.09Å; L10-W29 HydrophobicContact CB-CZ2 4.38Å; L10-W29 HydrophobicContact CB-CZ3 3.63Å; L10-W29 HydrophobicContact CD1-CE3 3.54Å; L10-W29 HydrophobicContact CD1-CZ3 3.77Å; L10-W29 HydrophobicContact CD2-CB 4.29Å; L10-W29 HydrophobicContact CD2-CE3 4.37Å; L10-W29 HydrophobicContact CG-CE3 3.96Å; L10-W29 HydrophobicContact CG-CZ3 4.31Å; L10-L34 HydrophobicContact CD2-CB 4.37Å; L10-L34 HydrophobicContact CD2-CD1 4.25Å; L10-L34 HydrophobicContact CD2-CD2 4.41Å; L10-I52 HydrophobicContact CD2-CD1 4.3Å; L10-L89 HydrophobicContact CD2-CD2 3.54Å; L10-L89 HydrophobicContact CG-CD2 4.07Å
11	K	84.9	Confident	77	Confident	122 Å²	122	59.5 Å²	59.5	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-37.4	173.3	-78.7	-172.6	170.5	-159.5	0	113	K7 E14 S15 W29	K7-K11 WeakPolarHBondContact O-CB 3.26Å; K7-K11 WeakPolarHBondContact O-CG 3.36Å; K7-K11 PolarHBondContact O-N 2.97Å; K7-K11 VanDerWaalsContact O-N 3.13Å; K11-E14 PolarHBondContact O-N 3.48Å; K11-S15 PolarHBondContact O-N 3.04Å; K11-S15 VanDerWaalsContact O-N 3.09Å; K11-W29 HydrophobicContact CG-CH2 4.01Å; K11-W29 HydrophobicContact CG-CZ2 3.81Å
12	F	85.5	Confident	78.5	Confident	15 Å²	15	59 Å²	59	7%	0.066	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-41.2	176.8	-176.7	-119.1	0	0	0	111.1	A8 E9 L10 S15 I16 L90 M114 Q117 L119 P120	A8-F12 VanDerWaalsContact O-CB 3.32Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 3.32Å; E9-F12 WeakPolarHBondContact O-CB 3.23Å; E9-F12 PolarHBondContact O-N 3.44Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.45Å; F12-S15 PolarHBondContact O-N 3.28Å; F12-S15 PolarHBondContact O-OG 3.25Å; F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 HydrophobicContact CD2-CD1 4.39Å; F12-I16 HydrophobicContact CE1-CD1 3.58Å; F12-I16 HydrophobicContact CE2-CD1 4Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 3.59Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.42Å; F12-L90 HydrophobicContact CD1-CD1 3.93Å; F12-L90 HydrophobicContact CD1-CD2 4.12Å; F12-L90 HydrophobicContact CE1-CD1 4.28Å; F12-M114 WeakPolarHBondContact CZ-O 3.34Å; F12-Q117 HydrophobicContact CZ-CB 4.26Å; F12-L119 HydrophobicContact CB-CD2 3.73Å; F12-L119 HydrophobicContact CD1-CD2 3.99Å; F12-L119 HydrophobicContact CG-CD2 3.97Å; F12-P120 HydrophobicContact CD2-CG 4.13Å
13	L	86.1	Confident	79.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-45.9	173.9	-72.4	179.8	0	0	0	112.5	E9 L10 S15 I16 F17 I26 L34 L89 L90 L93 L115	E9-L13 WeakPolarHBondContact O-CG 3.49Å; E9-L13 PolarHBondContact O-N 3.39Å; L10-L13 WeakPolarHBondContact O-CB 3.2Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.23Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-I16 VanDerWaalsContact O-N 3.15Å; L13-F17 HydrophobicContact CD2-CD2 4.33Å; L13-F17 HydrophobicContact CD2-CE2 4.26Å; L13-F17 PolarHBondContact O-N 3.26Å; L13-I26 HydrophobicContact CB-CD1 3.57Å; L13-I26 WeakPolarHBondContact O-CD1 3.34Å; L13-L34 HydrophobicContact CD1-CD2 4.09Å; L13-L89 HydrophobicContact CD1-CD2 3.83Å; L13-L89 HydrophobicContact CD1-CG 4.07Å; L13-L90 HydrophobicContact CD1-CD2 4.03Å; L13-L90 HydrophobicContact CD2-CD2 3.33Å; L13-L90 HydrophobicContact CG-CD2 3.46Å; L13-L90 VanDerWaalsContact CG-CD2 3.46Å; L13-L93 HydrophobicContact CD1-CD2 3.96Å; L13-L93 HydrophobicContact CD2-CD2 3.35Å; L13-L93 HydrophobicContact CG-CD2 4.23Å; L13-L115 HydrophobicContact CD2-CD2 3.44Å; L13-L115 VanDerWaalsContact CD2-CD2 3.44Å
14	E	84.4	Confident	81.2	Confident	99 Å²	99	52.8 Å²	52.8	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-35.3	176.2	-176.2	176.5	-150.5	0	0	112.5	L10 K11 I16 W29	L10-E14 PolarHBondContact O-N 2.84Å; K11-E14 PolarHBondContact O-N 3.48Å; E14-I16 VanDerWaalsContact C-N 3.26Å; E14-I16 PolarHBondContact O-N 3.48Å; E14-W29 VanDerWaalsContact CD-NE1 3.27Å; E14-W29 PolarHBondContact OE2-NE1 3.19Å
15	S	84.3	Confident	82.2	Confident	87 Å²	87	52.2 Å²	52.2	61%	0.608	27%	0.271	S	S	*	.	H	α-helix	trans	-69.7	-21.8	177.3	74.1	0	0	0	0	114.4	K11 F12 L13	K11-S15 PolarHBondContact O-N 3.04Å; K11-S15 VanDerWaalsContact O-N 3.09Å; F12-S15 PolarHBondContact O-N 3.28Å; F12-S15 PolarHBondContact O-OG 3.25Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.23Å
16	I	83	Confident	82.9	Confident	9 Å²	9	51.7 Å²	51.7	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-96.1	-44.1	179.6	-62.8	168.6	0	0	0	110.2	F12 L13 E14 H21 D111 M114 L115	F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 HydrophobicContact CD2-CD1 4.39Å; F12-I16 HydrophobicContact CE1-CD1 3.58Å; F12-I16 HydrophobicContact CE2-CD1 4Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 3.59Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.42Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-I16 VanDerWaalsContact O-N 3.15Å; E14-I16 VanDerWaalsContact C-N 3.26Å; E14-I16 PolarHBondContact O-N 3.48Å; I16-H21 PolarHBondContact O-CD2 2.98Å; I16-D111 HydrophobicContact CG2-CB 3.83Å; I16-M114 HydrophobicContact CD1-CB 3.82Å; I16-M114 HydrophobicContact CG1-CB 4.32Å; I16-M114 HydrophobicContact CG1-CE 4.37Å; I16-L115 HydrophobicContact CD1-CD2 3.88Å
17	F	85.8	Confident	83.1	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.282	C	S	.	.	S	Bend	trans	-112.1	69.8	-171.2	-60.3	-64.7	0	0	0	111.8	L13 H21 F24 I26 L93 I97 L115	L13-F17 HydrophobicContact CD2-CD2 4.33Å; L13-F17 HydrophobicContact CD2-CE2 4.26Å; L13-F17 PolarHBondContact O-N 3.26Å; F17-H21 AromaticContact CD1-CD2 3.46Å; F17-H21 VanDerWaalsContact CD1-CD2 3.46Å; F17-H21 WeakPolarHBondContact CD1-CD2 3.49Å; F17-H21 AromaticContact CD1-NE2 3.54Å; F17-H21 AromaticContact CE1-NE2 3.69Å; F17-F24 HydrophobicContact CB-CD1 3.97Å; F17-F24 HydrophobicContact CD1-CB 3.91Å; F17-F24 AromaticContact CD1-CD1 3.77Å; F17-F24 HydrophobicContact CD1-CD1 3.77Å; F17-F24 HydrophobicContact CD1-CG 4.31Å; F17-F24 WeakPolarHBondContact CD1-O 3.27Å; F17-F24 AromaticContact CD2-CD1 3.86Å; F17-F24 HydrophobicContact CD2-CD1 3.86Å; F17-F24 HydrophobicContact CD2-CE1 4.26Å; F17-F24 HydrophobicContact CE1-CB 4.1Å; F17-F24 HydrophobicContact CE1-CD1 4.22Å; F17-F24 HydrophobicContact CE2-CD1 4.25Å; F17-F24 AromaticContact CG-CD1 3.6Å; F17-F24 HydrophobicContact CG-CD1 3.6Å; F17-F24 HydrophobicContact CG-CE1 4.36Å; F17-F24 HydrophobicContact CZ-CD1 4.44Å; F17-I26 HydrophobicContact CB-CD1 3.87Å; F17-I26 HydrophobicContact CB-CG1 3.92Å; F17-I26 HydrophobicContact CD2-CD1 4.37Å; F17-I26 PolarHBondContact O-N 2.98Å; F17-L93 HydrophobicContact CD2-CD2 4.23Å; F17-L93 HydrophobicContact CE2-CD2 3.91Å; F17-I97 HydrophobicContact CE1-CD1 4.06Å; F17-I97 HydrophobicContact CE2-CD1 3.99Å; F17-I97 HydrophobicContact CZ-CD1 3.54Å; F17-L115 HydrophobicContact CE2-CD1 3.96Å; F17-L115 HydrophobicContact CE2-CD2 3.93Å; F17-L115 HydrophobicContact CE2-CG 4.23Å; F17-L115 HydrophobicContact CZ-CD1 4.03Å; F17-L115 HydrophobicContact CZ-CG 4.39Å
18	D	78	Confident	83.3	Confident	69 Å²	69	53.8 Å²	53.8	37%	0.369	28%	0.279	S	S	.	.			trans	-65.9	164.2	177.4	74.8	73.3	0	0	0	112.3	N20 H21	D18-N20 PolarHBondContact O-N 2.87Å; D18-N20 VanDerWaalsContact OD1-CA 3.23Å; D18-N20 WeakPolarHBondContact OD1-CA 3.45Å; D18-N20 VanDerWaalsContact OD1-CB 3.24Å; D18-N20 WeakPolarHBondContact OD1-CB 3.34Å; D18-N20 PolarHBondContact OD1-N 2.99Å; D18-H21 VanDerWaalsContact O-CB 3.31Å; D18-H21 WeakPolarHBondContact O-CB 3.42Å; D18-H21 PolarHBondContact O-N 2.94Å; D18-H21 PolarHBondContact OD1-N 3.33Å
19	P	75.3	Confident	83.5	Confident	89 Å²	89	54.3 Å²	54.3	58%	0.578	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.9	-178.3	-26.7	36.3	0	0	0	115.4	R25	P19-R25 WeakPolarHBondContact O-CD 3.07Å; P19-R25 PolarHBondContact O-NE 2.84Å
20	N	76.1	Confident	83.5	Confident	135 Å²	135	58.9 Å²	58.9	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-4.5	178.7	-60.5	-48.9	0	0	0	113.3	D18 E22	D18-N20 PolarHBondContact O-N 2.87Å; D18-N20 VanDerWaalsContact OD1-CA 3.23Å; D18-N20 WeakPolarHBondContact OD1-CA 3.45Å; D18-N20 VanDerWaalsContact OD1-CB 3.24Å; D18-N20 WeakPolarHBondContact OD1-CB 3.34Å; D18-N20 PolarHBondContact OD1-N 2.99Å; N20-E22 PolarHBondContact O-N 2.88Å
21	H	81.3	Confident	83.2	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.051	32%	0.319	C	S	.	.			trans	-55.3	136.3	-178.5	-173.7	-41.9	0	0	0	111.5	I16 F17 D18 R23 F24 R25 H109 D111	I16-H21 PolarHBondContact O-CD2 2.98Å; F17-H21 AromaticContact CD1-CD2 3.46Å; F17-H21 VanDerWaalsContact CD1-CD2 3.46Å; F17-H21 WeakPolarHBondContact CD1-CD2 3.49Å; F17-H21 AromaticContact CD1-NE2 3.54Å; F17-H21 AromaticContact CE1-NE2 3.69Å; D18-H21 VanDerWaalsContact O-CB 3.31Å; D18-H21 WeakPolarHBondContact O-CB 3.42Å; D18-H21 PolarHBondContact O-N 2.94Å; D18-H21 PolarHBondContact OD1-N 3.33Å; H21-R23 VanDerWaalsContact C-N 3.26Å; H21-R23 PolarHBondContact ND1-N 3.45Å; H21-R23 VanDerWaalsContact ND1-N 3.18Å; H21-R23 PolarHBondContact O-N 2.76Å; H21-R23 VanDerWaalsContact O-N 3.16Å; H21-F24 VanDerWaalsContact CB-O 3.23Å; H21-F24 WeakPolarHBondContact CB-O 3.37Å; H21-F24 VanDerWaalsContact CG-O 3.24Å; H21-R25 HydrophobicContact CB-CG 4.38Å; H21-R25 VanDerWaalsContact O-CG 3.25Å; H21-R25 WeakPolarHBondContact O-CG 3.48Å; H21-R25 PolarHBondContact O-NE 3.48Å; H21-H109 AromaticContact CE1-CG 3.75Å; H21-H109 AromaticContact CE1-ND1 3.65Å; H21-H109 AromaticContact NE2-ND1 3.67Å; H21-D111 IonicContact CD2-OD2 3.76Å; H21-D111 IonicContact NE2-OD2 3.26Å; H21-D111 PolarHBondContact NE2-OD2 3.46Å
22	E	77.4	Confident	83.2	Confident	125 Å²	125	61.1 Å²	61.1	58%	0.584	32%	0.315	S	S	*	.	S	Bend	trans	-67.2	-16.7	-170	-61	-168.8	161.6	0	0	115.9	N20 N39	N20-E22 PolarHBondContact O-N 2.88Å; E22-N39 PolarHBondContact O-ND2 3.1Å
23	R	81.4	Confident	83.4	Confident	67 Å²	67	63.7 Å²	63.7	25%	0.253	33%	0.327	S	S	.	.	S	Bend	trans	-131.4	-44.1	-167.8	-73.2	-68.7	176.1	-91.4	-1.6	113.2	H21 F38 N39	H21-R23 VanDerWaalsContact C-N 3.26Å; H21-R23 PolarHBondContact ND1-N 3.45Å; H21-R23 VanDerWaalsContact ND1-N 3.18Å; H21-R23 PolarHBondContact O-N 2.76Å; H21-R23 VanDerWaalsContact O-N 3.16Å; R23-F38 WeakPolarHBondContact O-CA 3.4Å; R23-N39 PolarHBondContact O-N 2.84Å
24	F	86.4	Confident	83.5	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	124.9	-179.2	-171.3	-94.5	0	0	0	109.3	F17 H21 I26 C36 Q37 F38 I48 L93 I97	F17-F24 HydrophobicContact CB-CD1 3.97Å; F17-F24 HydrophobicContact CD1-CB 3.91Å; F17-F24 AromaticContact CD1-CD1 3.77Å; F17-F24 HydrophobicContact CD1-CD1 3.77Å; F17-F24 HydrophobicContact CD1-CG 4.31Å; F17-F24 WeakPolarHBondContact CD1-O 3.27Å; F17-F24 AromaticContact CD2-CD1 3.86Å; F17-F24 HydrophobicContact CD2-CD1 3.86Å; F17-F24 HydrophobicContact CD2-CE1 4.26Å; F17-F24 HydrophobicContact CE1-CB 4.1Å; F17-F24 HydrophobicContact CE1-CD1 4.22Å; F17-F24 HydrophobicContact CE2-CD1 4.25Å; F17-F24 AromaticContact CG-CD1 3.6Å; F17-F24 HydrophobicContact CG-CD1 3.6Å; F17-F24 HydrophobicContact CG-CE1 4.36Å; F17-F24 HydrophobicContact CZ-CD1 4.44Å; H21-F24 VanDerWaalsContact CB-O 3.23Å; H21-F24 WeakPolarHBondContact CB-O 3.37Å; H21-F24 VanDerWaalsContact CG-O 3.24Å; F24-I26 HydrophobicContact CE1-CG1 4.2Å; F24-C36 HydrophobicContact CE1-CB 3.83Å; F24-C36 HydrophobicContact CE2-CB 3.69Å; F24-C36 HydrophobicContact CZ-CB 3.17Å; F24-C36 WeakPolarHBondContact CZ-SG 3.33Å; F24-Q37 CarbonylContact C-O 3.59Å; F24-Q37 WeakPolarHBondContact CA-O 3.42Å; F24-F38 HydrophobicContact CD2-CB 4.19Å; F24-F38 HydrophobicContact CD2-CD2 4.01Å; F24-I48 HydrophobicContact CE2-CD1 4.4Å; F24-L93 HydrophobicContact CE1-CD1 3.68Å; F24-L93 HydrophobicContact CE1-CD2 3.93Å; F24-L93 HydrophobicContact CE1-CG 4.29Å; F24-L93 HydrophobicContact CE2-CD1 3.96Å; F24-L93 HydrophobicContact CZ-CD1 3.21Å; F24-L93 HydrophobicContact CZ-CD2 4.33Å; F24-L93 HydrophobicContact CZ-CG 4.25Å; F24-I97 HydrophobicContact CB-CD1 4.12Å; F24-I97 HydrophobicContact CB-CG1 4.48Å; F24-I97 HydrophobicContact CD1-CD1 3.88Å; F24-I97 HydrophobicContact CD2-CD1 4.05Å; F24-I97 HydrophobicContact CD2-CG1 3.85Å; F24-I97 HydrophobicContact CE1-CD1 4.27Å; F24-I97 HydrophobicContact CE2-CD1 4.4Å; F24-I97 HydrophobicContact CE2-CG1 4.13Å; F24-I97 HydrophobicContact CG-CD1 3.73Å; F24-I97 HydrophobicContact CG-CG1 4.04Å; F24-I97 HydrophobicContact CZ-CD1 4.49Å
25	R	87.1	Confident	83.8	Confident	68 Å²	68	59.7 Å²	59.7	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.6	-174.8	-60.6	165	179.3	-172.4	-7	109	P19 H21 C36 Q37	P19-R25 WeakPolarHBondContact O-CD 3.07Å; P19-R25 PolarHBondContact O-NE 2.84Å; H21-R25 HydrophobicContact CB-CG 4.38Å; H21-R25 VanDerWaalsContact O-CG 3.25Å; H21-R25 WeakPolarHBondContact O-CG 3.48Å; H21-R25 PolarHBondContact O-NE 3.48Å; R25-C36 CarbonylContact O-C 3.6Å; R25-C36 VanDerWaalsContact O-CA 3.31Å; R25-C36 WeakPolarHBondContact O-CA 3.45Å; R25-Q37 HydrophobicContact CB-CB 4.29Å; R25-Q37 PolarHBondContact N-O 2.81Å; R25-Q37 PolarHBondContact O-N 2.87Å
26	I	87.8	Confident	84.1	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.8	168.9	-65.3	170.1	0	0	0	107.5	L13 F17 F24 W29 L34	L13-I26 HydrophobicContact CB-CD1 3.57Å; L13-I26 WeakPolarHBondContact O-CD1 3.34Å; F17-I26 HydrophobicContact CB-CD1 3.87Å; F17-I26 HydrophobicContact CB-CG1 3.92Å; F17-I26 HydrophobicContact CD2-CD1 4.37Å; F17-I26 PolarHBondContact O-N 2.98Å; F24-I26 HydrophobicContact CE1-CG1 4.2Å; I26-W29 HydrophobicContact CG2-CB 4.44Å; I26-L34 HydrophobicContact CG2-CD1 3.92Å
27	I	84.9	Confident	84.4	Confident	99 Å²	99	56.9 Å²	56.9	51%	0.508	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-50.5	-179.6	-61.9	168.8	0	0	0	109.5	S35 Q37	I27-S35 PolarHBondContact N-O 2.92Å; I27-Q37 HydrophobicContact CD1-CB 3.89Å; I27-Q37 HydrophobicContact CG1-CB 4.16Å
28	D	85.1	Confident	84.5	Confident	82 Å²	82	56.8 Å²	56.8	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	149.2	-179	-172.9	27.1	0	0	0	109.3	S35	D28-S35 PolarHBondContact N-O 3.37Å; D28-S35 PolarHBondContact O-N 3.3Å
29	W	86.8	Confident	84.8	Confident	47 Å²	47	54.5 Å²	54.5	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138	175.2	72.2	-96.4	0	0	0	112.1	K7 L10 K11 E14 I26 L34	K7-W29 HydrophobicContact CG-CH2 4.13Å; K7-W29 HydrophobicContact CG-CZ3 4.41Å; L10-W29 HydrophobicContact CB-CD2 3.75Å; L10-W29 HydrophobicContact CB-CE3 3.46Å; L10-W29 VanDerWaalsContact CB-CE3 3.46Å; L10-W29 HydrophobicContact CB-CG 4.41Å; L10-W29 HydrophobicContact CB-CH2 4.09Å; L10-W29 HydrophobicContact CB-CZ2 4.38Å; L10-W29 HydrophobicContact CB-CZ3 3.63Å; L10-W29 HydrophobicContact CD1-CE3 3.54Å; L10-W29 HydrophobicContact CD1-CZ3 3.77Å; L10-W29 HydrophobicContact CD2-CB 4.29Å; L10-W29 HydrophobicContact CD2-CE3 4.37Å; L10-W29 HydrophobicContact CG-CE3 3.96Å; L10-W29 HydrophobicContact CG-CZ3 4.31Å; K11-W29 HydrophobicContact CG-CH2 4.01Å; K11-W29 HydrophobicContact CG-CZ2 3.81Å; E14-W29 VanDerWaalsContact CD-NE1 3.27Å; E14-W29 PolarHBondContact OE2-NE1 3.19Å; I26-W29 HydrophobicContact CG2-CB 4.44Å; W29-L34 HydrophobicContact CB-CD1 3.61Å
30	K	85.1	Confident	85	Confident	101 Å²	101	50.8 Å²	50.8	44%	0.439	25%	0.25	S	S	.	.			trans	-131.4	165.5	175.7	-63.7	178.9	-172.9	168.3	0	108.9	D32 E33	K30-D32 VanDerWaalsContact CB-OD1 3.27Å; K30-D32 WeakPolarHBondContact CB-OD1 3.31Å; K30-D32 PolarHBondContact O-N 3.21Å; K30-D32 VanDerWaalsContact O-N 3.13Å; K30-E33 CarbonylContact C-O 3.55Å; K30-E33 PolarHBondContact N-O 3.48Å; K30-E33 PolarHBondContact O-N 3.01Å
31	P	79.8	Confident	84.8	Confident	83 Å²	83	48.2 Å²	48.2	54%	0.539	24%	0.239	S	C	.	.	S	Bend	trans	-59.9	-21.8	178.1	-24.7	35.7	0	0	0	114.3	L6	L6-P31 WeakPolarHBondContact CD2-O 3.35Å
32	D	85.9	Confident	83.8	Confident	85 Å²	85	51.3 Å²	51.3	46%	0.455	27%	0.274	S	S	.	.	S	Bend	trans	-110.4	-14.2	-176.5	59.2	-32.9	0	0	0	114.2	K30 N51 I52	K30-D32 VanDerWaalsContact CB-OD1 3.27Å; K30-D32 WeakPolarHBondContact CB-OD1 3.31Å; K30-D32 PolarHBondContact O-N 3.21Å; K30-D32 VanDerWaalsContact O-N 3.13Å; D32-N51 WeakPolarHBondContact O-CA 3.43Å; D32-I52 WeakPolarHBondContact CA-O 3.38Å; D32-I52 PolarHBondContact O-N 3Å
33	E	88.7	Confident	83.1	Confident	69 Å²	69	54.8 Å²	54.8	32%	0.322	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.8	-177.8	-172.5	177.7	-179.7	0	0	111.9	K30 H49 C50	K30-E33 CarbonylContact C-O 3.55Å; K30-E33 PolarHBondContact N-O 3.48Å; K30-E33 PolarHBondContact O-N 3.01Å; E33-H49 IonicContact OE1-ND1 2.74Å; E33-C50 CarbonylContact C-O 3.56Å; E33-C50 VanDerWaalsContact CA-O 3.3Å; E33-C50 WeakPolarHBondContact CA-O 3.42Å
34	L	89.8	Confident	82.9	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.7	171.8	169.8	68.2	0	0	0	108.9	L10 L13 I26 W29 C36 H49 C50 I52 W63 L89	L10-L34 HydrophobicContact CD2-CB 4.37Å; L10-L34 HydrophobicContact CD2-CD1 4.25Å; L10-L34 HydrophobicContact CD2-CD2 4.41Å; L13-L34 HydrophobicContact CD1-CD2 4.09Å; I26-L34 HydrophobicContact CG2-CD1 3.92Å; W29-L34 HydrophobicContact CB-CD1 3.61Å; L34-C36 VanDerWaalsContact CG-SG 3.54Å; L34-H49 CarbonylContact O-C 3.57Å; L34-C50 HydrophobicContact CB-CB 4.07Å; L34-C50 PolarHBondContact N-O 2.92Å; L34-C50 PolarHBondContact O-N 3.21Å; L34-I52 HydrophobicContact CB-CD1 4.5Å; L34-W63 HydrophobicContact CD2-CH2 4.1Å; L34-L89 HydrophobicContact CD2-CD1 4.2Å; L34-L89 HydrophobicContact CD2-CD2 4.47Å
35	S	89.1	Confident	82.9	Confident	15 Å²	15	59.3 Å²	59.3	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.5	178.8	-74.1	0	0	0	0	110.7	I27 D28 H49	I27-S35 PolarHBondContact N-O 2.92Å; D28-S35 PolarHBondContact N-O 3.37Å; D28-S35 PolarHBondContact O-N 3.3Å; S35-H49 PolarHBondContact OG-CE1 3.06Å; S35-H49 PolarHBondContact OG-ND1 3.39Å
36	C	91.4	Very high	82.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.7	-174.6	-52.2	0	0	0	0	112	F24 R25 L34 I48	F24-C36 HydrophobicContact CE1-CB 3.83Å; F24-C36 HydrophobicContact CE2-CB 3.69Å; F24-C36 HydrophobicContact CZ-CB 3.17Å; F24-C36 WeakPolarHBondContact CZ-SG 3.33Å; R25-C36 CarbonylContact O-C 3.6Å; R25-C36 VanDerWaalsContact O-CA 3.31Å; R25-C36 WeakPolarHBondContact O-CA 3.45Å; L34-C36 VanDerWaalsContact CG-SG 3.54Å; C36-I48 HydrophobicContact CB-CB 4.39Å; C36-I48 PolarHBondContact N-O 2.98Å; C36-I48 PolarHBondContact O-N 3.22Å
37	Q	88.6	Confident	82.8	Confident	36 Å²	36	58.7 Å²	58.7	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.4	174.6	-163.3	173.7	45.4	0	0	110.4	F24 R25 I27 L45 L46	F24-Q37 CarbonylContact C-O 3.59Å; F24-Q37 WeakPolarHBondContact CA-O 3.42Å; R25-Q37 HydrophobicContact CB-CB 4.29Å; R25-Q37 PolarHBondContact N-O 2.81Å; R25-Q37 PolarHBondContact O-N 2.87Å; I27-Q37 HydrophobicContact CD1-CB 3.89Å; I27-Q37 HydrophobicContact CG1-CB 4.16Å; Q37-L45 HydrophobicContact CG-CB 4.16Å; Q37-L45 HydrophobicContact CG-CD2 4.33Å; Q37-L46 CarbonylContact C-O 3.51Å; Q37-L46 WeakPolarHBondContact CA-O 3.27Å
38	F	88.1	Confident	83.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.8	172.9	-176.7	-89	0	0	0	110.4	R23 F24 V40 L46 I48 I97 L100 Y104 L106	R23-F38 WeakPolarHBondContact O-CA 3.4Å; F24-F38 HydrophobicContact CD2-CB 4.19Å; F24-F38 HydrophobicContact CD2-CD2 4.01Å; F38-V40 HydrophobicContact CD1-CG2 3.8Å; F38-V40 HydrophobicContact CE1-CG2 3.99Å; F38-L46 HydrophobicContact CB-CB 4.32Å; F38-L46 HydrophobicContact CD1-CD1 4.26Å; F38-L46 PolarHBondContact N-O 3.18Å; F38-L46 PolarHBondContact O-N 3.19Å; F38-I48 HydrophobicContact CB-CD1 3.96Å; F38-I97 HydrophobicContact CE2-CG2 4.32Å; F38-L100 HydrophobicContact CB-CD1 4.17Å; F38-L100 HydrophobicContact CD1-CB 4.33Å; F38-L100 HydrophobicContact CD1-CD1 4.28Å; F38-L100 HydrophobicContact CD2-CB 4.27Å; F38-L100 HydrophobicContact CD2-CD1 3.91Å; F38-L100 HydrophobicContact CE1-CB 3.97Å; F38-L100 HydrophobicContact CE2-CB 3.92Å; F38-L100 HydrophobicContact CE2-CD1 4.38Å; F38-L100 HydrophobicContact CG-CB 4.48Å; F38-L100 HydrophobicContact CG-CD1 3.85Å; F38-L100 HydrophobicContact CZ-CB 3.75Å; F38-Y104 HydrophobicContact CE1-CD2 4.29Å; F38-L106 HydrophobicContact CE1-CD1 3.94Å; F38-L106 HydrophobicContact CZ-CD1 4Å
39	N	85.5	Confident	83.3	Confident	20 Å²	20	52.8 Å²	52.8	11%	0.107	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.5	-179.5	-170.4	0.3	0	0	0	110.5	E22 R23 T41 L45	E22-N39 PolarHBondContact O-ND2 3.1Å; R23-N39 PolarHBondContact O-N 2.84Å; N39-T41 PolarHBondContact OD1-O 2.64Å; N39-T41 VanDerWaalsContact OD1-O 3.05Å; N39-L45 HydrophobicContact CB-CD2 4.05Å
40	V	79.4	Confident	83.5	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-49.7	-178.3	177.3	0	0	0	0	110.7	F38 K44 L46 Y104 L106	F38-V40 HydrophobicContact CD1-CG2 3.8Å; F38-V40 HydrophobicContact CE1-CG2 3.99Å; V40-K44 HydrophobicContact CB-CB 4.33Å; V40-K44 HydrophobicContact CB-CD 4.41Å; V40-K44 HydrophobicContact CB-CG 4.37Å; V40-K44 WeakPolarHBondContact CB-O 3.13Å; V40-K44 HydrophobicContact CG1-CD 4.34Å; V40-K44 PolarHBondContact N-O 3.01Å; V40-L46 HydrophobicContact CG2-CD1 3.48Å; V40-L46 VanDerWaalsContact CG2-CD1 3.48Å; V40-L46 HydrophobicContact CG2-CG 3.67Å; V40-Y104 HydrophobicContact CB-CG 4.48Å; V40-Y104 HydrophobicContact CG1-CD1 3.33Å; V40-Y104 HydrophobicContact CG1-CD2 4.03Å; V40-Y104 HydrophobicContact CG1-CE1 3.69Å; V40-Y104 HydrophobicContact CG1-CE2 4.35Å; V40-Y104 HydrophobicContact CG1-CG 3.51Å; V40-Y104 HydrophobicContact CG2-CD1 4.47Å; V40-Y104 HydrophobicContact CG2-CD2 3.91Å; V40-Y104 HydrophobicContact CG2-CE1 4.33Å; V40-Y104 HydrophobicContact CG2-CE2 3.76Å; V40-Y104 HydrophobicContact CG2-CG 4.26Å; V40-L106 WeakPolarHBondContact O-CD1 3.42Å; V40-L106 WeakPolarHBondContact O-CD2 3.28Å
41	T	71.1	Confident	83.7	Confident	81 Å²	81	49.1 Å²	49.1	50%	0.497	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.1	174.4	43.8	0	0	0	0	105.4	N39 E43 K44	N39-T41 PolarHBondContact OD1-O 2.64Å; N39-T41 VanDerWaalsContact OD1-O 3.05Å; T41-E43 PolarHBondContact O-N 3.22Å; T41-K44 CarbonylContact O-C 3.59Å; T41-K44 PolarHBondContact O-N 3.3Å; T41-K44 WeakPolarHBondContact OG1-CB 3.17Å
42	G	61.3	Low	84	Confident	76 Å²	76	45.5 Å²	45.5	78%	0.784	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-13.2	-172.5	0	0	0	0	0	117.3
43	E	62.2	Low	83.9	Confident	198 Å²	198	43.9 Å²	43.9	93%	0.925	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.8	174.7	-60.1	-178.7	165.4	0	0	115	T41	T41-E43 PolarHBondContact O-N 3.22Å
44	K	77.5	Confident	83.4	Confident	84 Å²	84	50.3 Å²	50.3	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	109.4	-177.5	-170.7	179.9	-179.8	-172.6	0	110.9	V40 T41	V40-K44 HydrophobicContact CB-CB 4.33Å; V40-K44 HydrophobicContact CB-CD 4.41Å; V40-K44 HydrophobicContact CB-CG 4.37Å; V40-K44 WeakPolarHBondContact CB-O 3.13Å; V40-K44 HydrophobicContact CG1-CD 4.34Å; V40-K44 PolarHBondContact N-O 3.01Å; T41-K44 CarbonylContact O-C 3.59Å; T41-K44 PolarHBondContact O-N 3.3Å; T41-K44 WeakPolarHBondContact OG1-CB 3.17Å
45	L	84.9	Confident	82.8	Confident	79 Å²	79	52.8 Å²	52.8	41%	0.414	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.5	177.7	-60.1	166.8	0	0	0	109.2	Q37 N39	Q37-L45 HydrophobicContact CG-CB 4.16Å; Q37-L45 HydrophobicContact CG-CD2 4.33Å; N39-L45 HydrophobicContact CB-CD2 4.05Å
46	L	86.5	Confident	82.3	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	172.6	-66.3	174.4	0	0	0	109	Q37 F38 V40 V65 L72 L100 Y104	Q37-L46 CarbonylContact C-O 3.51Å; Q37-L46 WeakPolarHBondContact CA-O 3.27Å; F38-L46 HydrophobicContact CB-CB 4.32Å; F38-L46 HydrophobicContact CD1-CD1 4.26Å; F38-L46 PolarHBondContact N-O 3.18Å; F38-L46 PolarHBondContact O-N 3.19Å; V40-L46 HydrophobicContact CG2-CD1 3.48Å; V40-L46 VanDerWaalsContact CG2-CD1 3.48Å; V40-L46 HydrophobicContact CG2-CG 3.67Å; L46-V65 HydrophobicContact CB-CG1 4.39Å; L46-V65 HydrophobicContact CD2-CG1 4.37Å; L46-L72 HydrophobicContact CD1-CD1 4.38Å; L46-L72 HydrophobicContact CD1-CD2 4.12Å; L46-L72 HydrophobicContact CD2-CD1 4.07Å; L46-L100 HydrophobicContact CD1-CD2 4.39Å; L46-Y104 HydrophobicContact CD1-CE2 3.59Å
47	I	87.9	Confident	81.4	Confident	62 Å²	62	54.3 Å²	54.3	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	174.7	-53.7	177.4	0	0	0	107.9	H49 V65 D66	I47-H49 VanDerWaalsContact CG2-NE2 3.3Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.4Å; I47-V65 WeakPolarHBondContact O-CA 3.46Å; I47-D66 HydrophobicContact CB-CB 4.4Å; I47-D66 PolarHBondContact O-N 2.93Å
48	I	90.8	Very high	80.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.7	-174.1	-50.7	-173	0	0	0	108.3	F24 C36 F38 W63 F64 V65 L96 L100	F24-I48 HydrophobicContact CE2-CD1 4.4Å; C36-I48 HydrophobicContact CB-CB 4.39Å; C36-I48 PolarHBondContact N-O 2.98Å; C36-I48 PolarHBondContact O-N 3.22Å; F38-I48 HydrophobicContact CB-CD1 3.96Å; I48-W63 HydrophobicContact CG2-CE3 3.81Å; I48-W63 HydrophobicContact CG2-CZ3 4.24Å; I48-F64 CarbonylContact C-O 3.51Å; I48-F64 VanDerWaalsContact CA-O 3.27Å; I48-F64 WeakPolarHBondContact CA-O 3.25Å; I48-F64 WeakPolarHBondContact CG2-O 3.43Å; I48-V65 HydrophobicContact CD1-CG2 4.49Å; I48-V65 HydrophobicContact CG1-CG1 4.44Å; I48-V65 HydrophobicContact CG1-CG2 4.09Å; I48-V65 HydrophobicContact CG2-CG2 4.29Å; I48-L96 HydrophobicContact CD1-CD2 4.13Å; I48-L96 HydrophobicContact CG2-CD2 3.87Å; I48-L100 HydrophobicContact CD1-CD1 3.53Å
49	H	89.4	Confident	80.4	Confident	57 Å²	57	60.6 Å²	60.6	26%	0.264	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.1	176.9	-61.6	-82.4	0	0	0	110.1	E33 L34 S35 I47 W63 F64	E33-H49 IonicContact OE1-ND1 2.74Å; L34-H49 CarbonylContact O-C 3.57Å; S35-H49 PolarHBondContact OG-CE1 3.06Å; S35-H49 PolarHBondContact OG-ND1 3.39Å; I47-H49 VanDerWaalsContact CG2-NE2 3.3Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.4Å; H49-W63 CarbonylContact O-C 3.47Å; H49-W63 WeakPolarHBondContact O-CA 3.46Å; H49-F64 HydrophobicContact CB-CB 4.46Å; H49-F64 PolarHBondContact N-O 3.45Å; H49-F64 PolarHBondContact O-N 3.35Å
50	C	90.9	Very high	80.2	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.1	178.2	169.4	0	0	0	0	109.5	E33 L34 P61 I62 W63	E33-C50 CarbonylContact C-O 3.56Å; E33-C50 VanDerWaalsContact CA-O 3.3Å; E33-C50 WeakPolarHBondContact CA-O 3.42Å; L34-C50 HydrophobicContact CB-CB 4.07Å; L34-C50 PolarHBondContact N-O 2.92Å; L34-C50 PolarHBondContact O-N 3.21Å; C50-P61 VanDerWaalsContact SG-CB 3.51Å; C50-I62 CarbonylContact C-O 3.59Å; C50-I62 VanDerWaalsContact CA-O 3.3Å; C50-I62 WeakPolarHBondContact CA-O 3.28Å; C50-W63 HydrophobicContact CB-CD2 3.85Å; C50-W63 HydrophobicContact CB-CE3 3.61Å; C50-W63 HydrophobicContact CB-CH2 4.01Å; C50-W63 HydrophobicContact CB-CZ2 4.26Å; C50-W63 HydrophobicContact CB-CZ3 3.69Å
51	N	88.1	Confident	80.5	Confident	70 Å²	70	61.8 Å²	61.8	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.3	175.5	-71.4	-0.6	0	0	0	110.4	D32 P61 I62 F64	D32-N51 WeakPolarHBondContact O-CA 3.43Å; N51-P61 WeakPolarHBondContact O-CA 3.46Å; N51-I62 PolarHBondContact N-O 3.38Å; N51-I62 PolarHBondContact O-N 3.49Å; N51-F64 HydrophobicContact CB-CE2 4.38Å
52	I	87.1	Confident	81.3	Confident	7 Å²	7	62 Å²	62	4%	0.036	35%	0.348	C	S	.	.			trans	-114.2	118.4	-177.6	-53.7	160.2	0	0	0	107.8	L6 L10 D32 L34 Y56 P61 L89	L6-I52 HydrophobicContact CD1-CD1 4.25Å; L6-I52 HydrophobicContact CD1-CG2 4.3Å; L6-I52 HydrophobicContact CD2-CG2 3.68Å; L10-I52 HydrophobicContact CD2-CD1 4.3Å; D32-I52 WeakPolarHBondContact CA-O 3.38Å; D32-I52 PolarHBondContact O-N 3Å; L34-I52 HydrophobicContact CB-CD1 4.5Å; I52-Y56 HydrophobicContact CG2-CD2 4.02Å; I52-Y56 HydrophobicContact CG2-CG 3.86Å; I52-P61 HydrophobicContact CG1-CB 4.24Å; I52-P61 HydrophobicContact CG1-CG 4.5Å; I52-L89 HydrophobicContact CD1-CD1 4.18Å; I52-L89 HydrophobicContact CD1-CD2 4.15Å; I52-L89 HydrophobicContact CG1-CD1 4.46Å
53	T	83.1	Confident	82.6	Confident	52 Å²	52	59.1 Å²	59.1	32%	0.319	31%	0.314	S	S	.	.			trans	-82.5	156.3	179.7	71.5	0	0	0	0	111.5	S55 Y56	T53-S55 PolarHBondContact O-N 3.14Å; T53-S55 PolarHBondContact OG1-N 2.71Å; T53-S55 PolarHBondContact OG1-OG 3.1Å; T53-Y56 WeakPolarHBondContact O-CB 3.42Å; T53-Y56 PolarHBondContact O-N 3.04Å
54	E	78.6	Confident	83.7	Confident	204 Å²	204	53.6 Å²	53.6	95%	0.953	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	173.4	-61.5	-176.3	169.8	0	0	113.7	Y56	E54-Y56 PolarHBondContact O-N 3.48Å
55	S	77.4	Confident	84.2	Confident	53 Å²	53	50.8 Å²	50.8	37%	0.371	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.7	176.8	65.6	0	0	0	0	114.1	T53 S58 T59	T53-S55 PolarHBondContact O-N 3.14Å; T53-S55 PolarHBondContact OG1-N 2.71Å; T53-S55 PolarHBondContact OG1-OG 3.1Å; S55-S58 WeakPolarHBondContact O-CA 3.4Å; S55-S58 WeakPolarHBondContact O-CB 3.33Å; S55-S58 PolarHBondContact O-N 3.24Å; S55-S58 PolarHBondContact O-OG 3.14Å; S55-T59 PolarHBondContact O-N 3.06Å; S55-T59 WeakPolarHBondContact OG-CB 3.41Å; S55-T59 PolarHBondContact OG-OG1 2.81Å
56	Y	78.2	Confident	84.1	Confident	23 Å²	23	51.6 Å²	51.6	9%	0.09	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	136.9	173.7	-178.3	-90.8	0	0	0	111.2	L6 E9 I52 T53 E54 P61 L88 L89	L6-Y56 HydrophobicContact CB-CD1 4.25Å; L6-Y56 HydrophobicContact CB-CE1 4.27Å; L6-Y56 HydrophobicContact CD1-CD1 3.94Å; L6-Y56 HydrophobicContact CD1-CE1 3.7Å; L6-Y56 HydrophobicContact CD2-CD1 4.21Å; L6-Y56 HydrophobicContact CG-CD1 4.36Å; L6-Y56 HydrophobicContact CG-CE1 4.45Å; E9-Y56 VanDerWaalsContact CD-OH 3.25Å; E9-Y56 WeakPolarHBondContact OE1-CE1 3.5Å; E9-Y56 PolarHBondContact OE1-OH 2.8Å; E9-Y56 PolarHBondContact OE2-OH 2.94Å; E9-Y56 VanDerWaalsContact OE2-OH 3.04Å; I52-Y56 HydrophobicContact CG2-CD2 4.02Å; I52-Y56 HydrophobicContact CG2-CG 3.86Å; T53-Y56 WeakPolarHBondContact O-CB 3.42Å; T53-Y56 PolarHBondContact O-N 3.04Å; E54-Y56 PolarHBondContact O-N 3.48Å; Y56-P61 HydrophobicContact CD2-CG 3.83Å; Y56-P61 HydrophobicContact CE2-CG 3.65Å; Y56-L88 HydrophobicContact CE2-CB 3.83Å; Y56-L88 PolarHBondContact OH-N 2.72Å; Y56-L88 VanDerWaalsContact OH-N 3.17Å; Y56-L89 HydrophobicContact CE2-CB 4.4Å; Y56-L89 PolarHBondContact OH-N 3.1Å
57	P	73.5	Confident	83.8	Confident	23 Å²	23	53.5 Å²	53.5	15%	0.149	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	8.4	5.1	40.5	-43.8	0	0	0	114.4	M1 T59 L88	M1-P57 HydrophobicContact CE-CB 4.4Å; M1-P57 HydrophobicContact CE-CG 3.71Å; P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.06Å; P57-L88 HydrophobicContact CB-CD1 3.89Å; P57-L88 WeakPolarHBondContact O-CD1 3.4Å
58	S	76.6	Confident	83.2	Confident	111 Å²	111	58.7 Å²	58.7	78%	0.776	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-33	-177.1	-42.1	0	0	0	0	111.8	S55	S55-S58 WeakPolarHBondContact O-CA 3.4Å; S55-S58 WeakPolarHBondContact O-CB 3.33Å; S55-S58 PolarHBondContact O-N 3.24Å; S55-S58 PolarHBondContact O-OG 3.14Å
59	T	79.1	Confident	82.6	Confident	58 Å²	58	60.8 Å²	60.8	36%	0.356	34%	0.335	S	S	.	.	S	Bend	trans	-108.3	129.2	171	-54.1	0	0	0	0	108.6	S55 P57	S55-T59 PolarHBondContact O-N 3.06Å; S55-T59 WeakPolarHBondContact OG-CB 3.41Å; S55-T59 PolarHBondContact OG-OG1 2.81Å; P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.06Å
60	P	80.6	Confident	82.1	Confident	50 Å²	50	62.8 Å²	62.8	33%	0.325	35%	0.353	S	S	.	.			trans	-66.7	147.9	179.6	27.3	-33.5	0	0	0	111.4
61	P	86	Confident	81.7	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.039	37%	0.367	C	S	.	.			trans	-57.9	148.3	169.4	-20.4	29.5	0	0	0	112.3	C50 N51 I52 Y56 L89 Q92	C50-P61 VanDerWaalsContact SG-CB 3.51Å; N51-P61 WeakPolarHBondContact O-CA 3.46Å; I52-P61 HydrophobicContact CG1-CB 4.24Å; I52-P61 HydrophobicContact CG1-CG 4.5Å; Y56-P61 HydrophobicContact CD2-CG 3.83Å; Y56-P61 HydrophobicContact CE2-CG 3.65Å; P61-L89 HydrophobicContact CB-CD1 4.3Å; P61-L89 HydrophobicContact CG-CD1 4.04Å; P61-Q92 VanDerWaalsContact CD-OE1 3.25Å; P61-Q92 PolarHBondContact O-OE1 3.22Å
62	I	87.3	Confident	81.6	Confident	85 Å²	85	61.7 Å²	61.7	44%	0.436	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.9	-178.4	-50.6	173.5	0	0	0	109	C50 N51 F64	C50-I62 CarbonylContact C-O 3.59Å; C50-I62 VanDerWaalsContact CA-O 3.3Å; C50-I62 WeakPolarHBondContact CA-O 3.28Å; N51-I62 PolarHBondContact N-O 3.38Å; N51-I62 PolarHBondContact O-N 3.49Å; I62-F64 HydrophobicContact CB-CE2 3.92Å; I62-F64 HydrophobicContact CB-CZ 4.08Å; I62-F64 HydrophobicContact CG2-CD2 4.41Å; I62-F64 HydrophobicContact CG2-CE1 3.95Å; I62-F64 HydrophobicContact CG2-CE2 3.51Å; I62-F64 HydrophobicContact CG2-CZ 3.24Å; I62-F64 WeakPolarHBondContact O-CE2 3.49Å
63	W	88.8	Confident	81.3	Confident	15 Å²	15	64.3 Å²	64.3	6%	0.057	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.8	-176.4	-63.7	82.5	0	0	0	112	L34 I48 H49 C50 L76 L79 L89 Q92 L93 L96	L34-W63 HydrophobicContact CD2-CH2 4.1Å; I48-W63 HydrophobicContact CG2-CE3 3.81Å; I48-W63 HydrophobicContact CG2-CZ3 4.24Å; H49-W63 CarbonylContact O-C 3.47Å; H49-W63 WeakPolarHBondContact O-CA 3.46Å; C50-W63 HydrophobicContact CB-CD2 3.85Å; C50-W63 HydrophobicContact CB-CE3 3.61Å; C50-W63 HydrophobicContact CB-CH2 4.01Å; C50-W63 HydrophobicContact CB-CZ2 4.26Å; C50-W63 HydrophobicContact CB-CZ3 3.69Å; W63-L76 HydrophobicContact CB-CD2 3.66Å; W63-L79 HydrophobicContact CB-CD1 3.85Å; W63-L79 HydrophobicContact CD2-CD1 4.27Å; W63-L79 HydrophobicContact CG-CD1 3.63Å; W63-L89 HydrophobicContact CH2-CD1 4.32Å; W63-L89 HydrophobicContact CZ2-CD1 3.86Å; W63-Q92 HydrophobicContact CZ2-CB 4.16Å; W63-L93 HydrophobicContact CH2-CB 3.85Å; W63-L93 HydrophobicContact CH2-CD1 3.35Å; W63-L93 HydrophobicContact CH2-CG 4.15Å; W63-L93 HydrophobicContact CZ2-CB 4.09Å; W63-L93 HydrophobicContact CZ2-CD1 4.34Å; W63-L93 HydrophobicContact CZ3-CD1 3.67Å; W63-L96 HydrophobicContact CD2-CD2 4Å; W63-L96 HydrophobicContact CE3-CD2 3.37Å; W63-L96 HydrophobicContact CH2-CD2 4.44Å; W63-L96 HydrophobicContact CZ3-CD2 3.64Å
64	F	85.8	Confident	81.3	Confident	82 Å²	82	67.5 Å²	67.5	36%	0.36	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.7	-178.2	-55.5	-83.4	0	0	0	110.1	I48 H49 N51 I62	I48-F64 CarbonylContact C-O 3.51Å; I48-F64 VanDerWaalsContact CA-O 3.27Å; I48-F64 WeakPolarHBondContact CA-O 3.25Å; I48-F64 WeakPolarHBondContact CG2-O 3.43Å; H49-F64 HydrophobicContact CB-CB 4.46Å; H49-F64 PolarHBondContact N-O 3.45Å; H49-F64 PolarHBondContact O-N 3.35Å; N51-F64 HydrophobicContact CB-CE2 4.38Å; I62-F64 HydrophobicContact CB-CE2 3.92Å; I62-F64 HydrophobicContact CB-CZ 4.08Å; I62-F64 HydrophobicContact CG2-CD2 4.41Å; I62-F64 HydrophobicContact CG2-CE1 3.95Å; I62-F64 HydrophobicContact CG2-CE2 3.51Å; I62-F64 HydrophobicContact CG2-CZ 3.24Å; I62-F64 WeakPolarHBondContact O-CE2 3.49Å
65	V	88.3	Confident	81.7	Confident	25 Å²	25	57.9 Å²	57.9	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.8	174.5	-174.5	0	0	0	0	109.1	L46 I47 I48 S67 L72 L76	L46-V65 HydrophobicContact CB-CG1 4.39Å; L46-V65 HydrophobicContact CD2-CG1 4.37Å; I47-V65 WeakPolarHBondContact O-CA 3.46Å; I48-V65 HydrophobicContact CD1-CG2 4.49Å; I48-V65 HydrophobicContact CG1-CG1 4.44Å; I48-V65 HydrophobicContact CG1-CG2 4.09Å; I48-V65 HydrophobicContact CG2-CG2 4.29Å; V65-S67 PolarHBondContact O-N 2.89Å; V65-L72 HydrophobicContact CB-CD1 4.47Å; V65-L72 HydrophobicContact CG1-CD1 3.86Å; V65-L76 HydrophobicContact CG2-CD1 4.1Å; V65-L76 HydrophobicContact CG2-CD2 4.13Å; V65-L76 HydrophobicContact CG2-CG 4.41Å
66	D	81.6	Confident	82.1	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	33%	0.331	S	S	.	.	S	Bend	trans	-80.9	70.3	175.3	-163.5	18.5	0	0	0	109.7	I47 K355	I47-D66 HydrophobicContact CB-CB 4.4Å; I47-D66 PolarHBondContact O-N 2.93Å; D66-K355 IonicContact OD1-NZ 2.69Å; D66-K355 PolarHBondContact OD1-NZ 2.91Å
67	S	81.4	Confident	82.4	Confident	45 Å²	45	62.4 Å²	62.4	32%	0.315	36%	0.357	S	S	.	.			trans	-155.3	143.3	179.2	-172.3	0	0	0	0	111.6	V65 D69	V65-S67 PolarHBondContact O-N 2.89Å; S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.78Å
68	D	74.1	Confident	82.8	Confident	170 Å²	170	66.6 Å²	66.6	91%	0.909	37%	0.369	S	S	*	.			trans	-83.5	8.2	178.4	-63.4	-46.1	0	0	0	113.7	P70	D68-P70 WeakPolarHBondContact O-CD 3.12Å
69	D	78.9	Confident	83.1	Confident	44 Å²	44	61.5 Å²	61.5	24%	0.235	33%	0.333	C	S	.	.			trans	-76.1	114.9	-178.5	-172.1	-20.4	0	0	0	111.5	S67 S71 L72	S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.78Å; D69-S71 PolarHBondContact O-N 3.45Å; D69-S71 VanDerWaalsContact O-N 3.14Å; D69-S71 WeakPolarHBondContact OD1-CB 3.42Å; D69-S71 PolarHBondContact OD1-N 3.25Å; D69-S71 PolarHBondContact OD1-OG 3.48Å; D69-L72 HydrophobicContact CB-CD1 3.8Å; D69-L72 HydrophobicContact CB-CG 4.03Å; D69-L72 WeakPolarHBondContact O-CB 3.31Å; D69-L72 PolarHBondContact O-N 3.15Å; D69-L72 VanDerWaalsContact O-N 3.09Å
70	P	78.7	Confident	82.7	Confident	100 Å²	100	65 Å²	65	65%	0.649	35%	0.346	S	S	*	.	H	α-helix	trans	-64.3	-20.4	-178.6	27.4	-35.6	0	0	0	113.3	D68 L72 A73	D68-P70 WeakPolarHBondContact O-CD 3.12Å; P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 3.48Å; P70-A73 WeakPolarHBondContact O-CB 3.4Å; P70-A73 PolarHBondContact O-N 2.66Å
71	S	83.4	Confident	82.5	Confident	42 Å²	42	68.2 Å²	68.2	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-68.6	-28.2	177.6	-39	0	0	0	0	111.7	D69 Q74 V75	D69-S71 PolarHBondContact O-N 3.45Å; D69-S71 VanDerWaalsContact O-N 3.14Å; D69-S71 WeakPolarHBondContact OD1-CB 3.42Å; D69-S71 PolarHBondContact OD1-N 3.25Å; D69-S71 PolarHBondContact OD1-OG 3.48Å; S71-Q74 PolarHBondContact O-N 3.31Å; S71-V75 PolarHBondContact O-N 3.47Å
72	L	84.7	Confident	81.9	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-71.8	-34	177	-64.9	171	0	0	0	111.7	L46 V65 D69 P70 Q74 V75 L76 L100 L103 Y104	L46-L72 HydrophobicContact CD1-CD1 4.38Å; L46-L72 HydrophobicContact CD1-CD2 4.12Å; L46-L72 HydrophobicContact CD2-CD1 4.07Å; V65-L72 HydrophobicContact CB-CD1 4.47Å; V65-L72 HydrophobicContact CG1-CD1 3.86Å; D69-L72 HydrophobicContact CB-CD1 3.8Å; D69-L72 HydrophobicContact CB-CG 4.03Å; D69-L72 WeakPolarHBondContact O-CB 3.31Å; D69-L72 PolarHBondContact O-N 3.15Å; D69-L72 VanDerWaalsContact O-N 3.09Å; P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 3.48Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; L72-Q74 PolarHBondContact O-N 3.06Å; L72-V75 WeakPolarHBondContact O-CB 3.36Å; L72-V75 PolarHBondContact O-N 2.76Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.81Å; L72-L100 HydrophobicContact CD2-CD2 3.47Å; L72-L100 VanDerWaalsContact CD2-CD2 3.47Å; L72-L103 HydrophobicContact CD2-CD2 3.81Å; L72-L103 HydrophobicContact CG-CD2 4.45Å; L72-Y104 HydrophobicContact CD2-CE2 4.16Å
73	A	82.3	Confident	80.8	Confident	61 Å²	61	73.4 Å²	73.4	50%	0.504	38%	0.377	S	S	.	.	H	α-helix	trans	-59	-40.4	175.3	0	0	0	0	0	111.8	P70 V75 L76 E77	P70-A73 WeakPolarHBondContact O-CB 3.4Å; P70-A73 PolarHBondContact O-N 2.66Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.76Å; A73-L76 PolarHBondContact O-N 2.83Å; A73-E77 PolarHBondContact O-N 3.42Å
74	Q	83.1	Confident	79.5	Confident	120 Å²	120	81.8 Å²	81.8	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-68.7	-27.1	175.4	-65.5	-178.2	2.6	0	0	113.3	S71 L72 R78	S71-Q74 PolarHBondContact O-N 3.31Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; L72-Q74 PolarHBondContact O-N 3.06Å; Q74-R78 WeakPolarHBondContact O-CG 3.48Å; Q74-R78 PolarHBondContact O-NE 2.91Å
75	V	86.4	Confident	78.6	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.012	41%	0.413	C	S	.	.	H	α-helix	trans	-70.7	-44.6	173.7	172.5	0	0	0	0	109.8	S71 L72 A73 R78 L96 D99 L100 L103	S71-V75 PolarHBondContact O-N 3.47Å; L72-V75 WeakPolarHBondContact O-CB 3.36Å; L72-V75 PolarHBondContact O-N 2.76Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.76Å; V75-R78 PolarHBondContact O-N 2.78Å; V75-L96 HydrophobicContact CG1-CD1 3.8Å; V75-D99 HydrophobicContact CG1-CB 3.76Å; V75-D99 HydrophobicContact CG2-CB 4.39Å; V75-L100 HydrophobicContact CG1-CD2 4.44Å; V75-L103 HydrophobicContact CG2-CD2 4.12Å
76	L	85.8	Confident	77.5	Confident	38 Å²	38	81.6 Å²	81.6	20%	0.199	43%	0.429	C	S	.	.	H	α-helix	trans	-66.1	-41	179	-62.4	176.9	0	0	0	112.7	W63 V65 L72 A73 R78 L79 L96	W63-L76 HydrophobicContact CB-CD2 3.66Å; V65-L76 HydrophobicContact CG2-CD1 4.1Å; V65-L76 HydrophobicContact CG2-CD2 4.13Å; V65-L76 HydrophobicContact CG2-CG 4.41Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.81Å; A73-L76 PolarHBondContact O-N 2.83Å; L76-R78 PolarHBondContact O-N 3.44Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 VanDerWaalsContact O-CB 3.29Å; L76-L79 WeakPolarHBondContact O-CB 3.41Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-L96 HydrophobicContact CD2-CD1 4.21Å
77	E	83.5	Confident	77.2	Confident	133 Å²	133	78.6 Å²	78.6	62%	0.621	41%	0.414	S	S	*	.	H	α-helix	trans	-59.7	-34.5	177.3	-169.2	176.6	-172.1	0	0	112	A73 L79 E80	A73-E77 PolarHBondContact O-N 3.42Å; E77-L79 PolarHBondContact O-N 3.37Å; E77-E80 WeakPolarHBondContact O-CB 3.23Å; E77-E80 PolarHBondContact O-N 3.44Å
78	R	82.5	Confident	77.3	Confident	111 Å²	111	76.5 Å²	76.5	42%	0.419	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-71.4	-14.2	176.4	-76	-179.3	-83.3	-157.6	-2.4	114.1	Q74 V75 L76 E80	Q74-R78 WeakPolarHBondContact O-CG 3.48Å; Q74-R78 PolarHBondContact O-NE 2.91Å; V75-R78 PolarHBondContact O-N 2.78Å; L76-R78 PolarHBondContact O-N 3.44Å; R78-E80 VanDerWaalsContact C-N 3.27Å
79	L	82.2	Confident	77.8	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-74.3	-20.7	173.7	-60	178.3	0	0	0	112.3	W63 L76 E77 D81 V82 Q92 K95 L96	W63-L79 HydrophobicContact CB-CD1 3.85Å; W63-L79 HydrophobicContact CD2-CD1 4.27Å; W63-L79 HydrophobicContact CG-CD1 3.63Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 VanDerWaalsContact O-CB 3.29Å; L76-L79 WeakPolarHBondContact O-CB 3.41Å; L76-L79 PolarHBondContact O-N 2.96Å; E77-L79 PolarHBondContact O-N 3.37Å; L79-D81 PolarHBondContact O-N 2.99Å; L79-V82 PolarHBondContact O-N 3.33Å; L79-Q92 WeakPolarHBondContact CD2-O 3.36Å; L79-Q92 PolarHBondContact O-NE2 2.84Å; L79-K95 HydrophobicContact CD2-CB 3.91Å; L79-K95 HydrophobicContact CD2-CG 3.74Å; L79-L96 HydrophobicContact CD1-CB 4.15Å; L79-L96 HydrophobicContact CD1-CD1 4.16Å; L79-L96 HydrophobicContact CD2-CB 4.04Å
80	E	72.1	Confident	78.1	Confident	131 Å²	131	66.5 Å²	66.5	61%	0.612	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.2	176	-62.1	-170	176.5	0	0	112.8	E77 R78 V82 R83	E77-E80 WeakPolarHBondContact O-CB 3.23Å; E77-E80 PolarHBondContact O-N 3.44Å; R78-E80 VanDerWaalsContact C-N 3.27Å; E80-V82 VanDerWaalsContact C-N 3.26Å; E80-V82 PolarHBondContact O-N 3.12Å; E80-R83 WeakPolarHBondContact O-CD 3.42Å; E80-R83 WeakPolarHBondContact O-CG 3.3Å; E80-R83 PolarHBondContact O-NE 3.13Å
81	D	74.9	Confident	78.4	Confident	117 Å²	117	65.5 Å²	65.5	63%	0.626	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-74.3	-17.9	176.4	-70.7	-28.6	0	0	0	113	L79 R83	L79-D81 PolarHBondContact O-N 2.99Å; D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 IonicContact OD1-NH2 2.77Å
82	V	75.3	Confident	78.6	Confident	30 Å²	30	63.6 Å²	63.6	18%	0.182	32%	0.319	C	S	.	.			trans	-88.3	88.2	177.1	-173.9	0	0	0	0	109.4	L79 E80 L88 Q91 Q92	L79-V82 PolarHBondContact O-N 3.33Å; E80-V82 VanDerWaalsContact C-N 3.26Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-L88 HydrophobicContact CG1-CD2 4.09Å; V82-Q91 HydrophobicContact CG1-CB 3.82Å; V82-Q92 HydrophobicContact CB-CG 3.95Å; V82-Q92 HydrophobicContact CG1-CG 4.07Å
83	R	63	Low	78.8	Confident	171 Å²	171	63.4 Å²	63.4	65%	0.645	32%	0.318	S	S	*	.			trans	-112.2	-5.3	-170.7	-55.2	-175	-152.6	-174.3	8.1	115.8	E80 D81	E80-R83 WeakPolarHBondContact O-CD 3.42Å; E80-R83 WeakPolarHBondContact O-CG 3.3Å; E80-R83 PolarHBondContact O-NE 3.13Å; D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 IonicContact OD1-NH2 2.77Å
84	K	62.7	Low	79	Confident	190 Å²	190	62.9 Å²	62.9	83%	0.826	30%	0.304	S	S	*	.			trans	-143.5	122.1	-173.7	-63.2	-175.7	-177.9	179	0	111.9
85	G	65.3	Low	79.2	Confident	34 Å²	34	60.4 Å²	60.4	35%	0.351	29%	0.292	S	S	.	.			trans	170	163.4	176	0	0	0	0	0	111.5
86	S	65.2	Low	79.3	Confident	70 Å²	70	60.3 Å²	60.3	49%	0.49	29%	0.291	S	S	.	.	S	Bend	trans	-84.8	-13.6	169.8	51.1	0	0	0	0	113.5	M1	M1-S86 WeakPolarHBondContact CE-O 3.02Å
87	T	75.5	Confident	79.3	Confident	32 Å²	32	58.7 Å²	58.7	20%	0.196	28%	0.282	C	S	.	.			trans	-128.9	54.4	-178.7	49.7	0	0	0	0	110.6	E9 L89 L90 Q91 L119	E9-T87 HydrophobicContact CG-CG2 4.25Å; E9-T87 WeakPolarHBondContact OE2-CA 3.44Å; T87-L89 PolarHBondContact O-N 2.9Å; T87-L90 HydrophobicContact CG2-CD1 4.04Å; T87-L90 PolarHBondContact O-N 3.45Å; T87-Q91 WeakPolarHBondContact O-CG 3.5Å; T87-Q91 PolarHBondContact O-N 2.7Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; T87-L119 HydrophobicContact CG2-CD1 4.07Å; T87-L119 HydrophobicContact CG2-CG 4.4Å
88	L	82.9	Confident	79.5	Confident	2 Å²	2	53 Å²	53	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-35.4	-175.2	-77.3	173.4	0	0	0	112	Y56 P57 V82 Q91 Q92	Y56-L88 HydrophobicContact CE2-CB 3.83Å; Y56-L88 PolarHBondContact OH-N 2.72Å; Y56-L88 VanDerWaalsContact OH-N 3.17Å; P57-L88 HydrophobicContact CB-CD1 3.89Å; P57-L88 WeakPolarHBondContact O-CD1 3.4Å; V82-L88 HydrophobicContact CG1-CD2 4.09Å; L88-Q91 PolarHBondContact O-N 2.89Å; L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 WeakPolarHBondContact O-CG 3.34Å; L88-Q92 PolarHBondContact O-N 3.45Å
89	L	84.6	Confident	79.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-48.6	178.9	-175.5	68.9	0	0	0	111.1	L6 E9 L10 L13 L34 I52 Y56 P61 W63 T87 Q91 Q92 L93	L6-L89 HydrophobicContact CD1-CD2 4.07Å; E9-L89 HydrophobicContact CB-CD2 4.48Å; E9-L89 WeakPolarHBondContact OE2-CB 3.14Å; L10-L89 HydrophobicContact CD2-CD2 3.54Å; L10-L89 HydrophobicContact CG-CD2 4.07Å; L13-L89 HydrophobicContact CD1-CD2 3.83Å; L13-L89 HydrophobicContact CD1-CG 4.07Å; L34-L89 HydrophobicContact CD2-CD1 4.2Å; L34-L89 HydrophobicContact CD2-CD2 4.47Å; I52-L89 HydrophobicContact CD1-CD1 4.18Å; I52-L89 HydrophobicContact CD1-CD2 4.15Å; I52-L89 HydrophobicContact CG1-CD1 4.46Å; Y56-L89 HydrophobicContact CE2-CB 4.4Å; Y56-L89 PolarHBondContact OH-N 3.1Å; P61-L89 HydrophobicContact CB-CD1 4.3Å; P61-L89 HydrophobicContact CG-CD1 4.04Å; W63-L89 HydrophobicContact CH2-CD1 4.32Å; W63-L89 HydrophobicContact CZ2-CD1 3.86Å; T87-L89 PolarHBondContact O-N 2.9Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.96Å; L89-Q92 PolarHBondContact O-N 3.21Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 PolarHBondContact O-N 2.88Å
90	L	86.8	Confident	79.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-43.4	177.3	-57.8	-175.6	0	0	0	111.8	E9 F12 L13 T87 L93 K94 L115 L119	E9-L90 HydrophobicContact CB-CD2 4.33Å; E9-L90 HydrophobicContact CB-CG 4.41Å; E9-L90 HydrophobicContact CG-CD1 4.44Å; E9-L90 HydrophobicContact CG-CG 4.26Å; F12-L90 HydrophobicContact CD1-CD1 3.93Å; F12-L90 HydrophobicContact CD1-CD2 4.12Å; F12-L90 HydrophobicContact CE1-CD1 4.28Å; L13-L90 HydrophobicContact CD1-CD2 4.03Å; L13-L90 HydrophobicContact CD2-CD2 3.33Å; L13-L90 HydrophobicContact CG-CD2 3.46Å; L13-L90 VanDerWaalsContact CG-CD2 3.46Å; T87-L90 HydrophobicContact CG2-CD1 4.04Å; T87-L90 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 3.31Å; L90-K94 WeakPolarHBondContact O-CB 3.47Å; L90-K94 PolarHBondContact O-N 3Å; L90-L115 HydrophobicContact CD2-CD2 4.23Å; L90-L119 HydrophobicContact CD1-CD2 4.03Å
91	Q	85.1	Confident	80.6	Confident	78 Å²	78	41.9 Å²	41.9	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-66.7	-44.4	-179	-70	176.8	-2.7	0	0	112.4	V82 T87 L88 L89 K95	V82-Q91 HydrophobicContact CG1-CB 3.82Å; T87-Q91 WeakPolarHBondContact O-CG 3.5Å; T87-Q91 PolarHBondContact O-N 2.7Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; L88-Q91 PolarHBondContact O-N 2.89Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.96Å; Q91-K95 WeakPolarHBondContact O-CB 3.36Å; Q91-K95 PolarHBondContact O-N 3.24Å
92	Q	86.9	Confident	81.2	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-41.6	176.1	-76.7	-174.2	-26.3	0	0	111.3	P61 W63 L79 V82 L88 L89 K95 L96	P61-Q92 VanDerWaalsContact CD-OE1 3.25Å; P61-Q92 PolarHBondContact O-OE1 3.22Å; W63-Q92 HydrophobicContact CZ2-CB 4.16Å; L79-Q92 WeakPolarHBondContact CD2-O 3.36Å; L79-Q92 PolarHBondContact O-NE2 2.84Å; V82-Q92 HydrophobicContact CB-CG 3.95Å; V82-Q92 HydrophobicContact CG1-CG 4.07Å; L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 WeakPolarHBondContact O-CG 3.34Å; L88-Q92 PolarHBondContact O-N 3.45Å; L89-Q92 PolarHBondContact O-N 3.21Å; Q92-K95 PolarHBondContact O-N 3.22Å; Q92-L96 WeakPolarHBondContact O-CB 3.48Å; Q92-L96 PolarHBondContact O-N 3.4Å
93	L	88.4	Confident	81.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-45	178.5	-175.7	68.3	0	0	0	111.8	L13 F17 F24 W63 L89 L90 K95 L96 I97	L13-L93 HydrophobicContact CD1-CD2 3.96Å; L13-L93 HydrophobicContact CD2-CD2 3.35Å; L13-L93 HydrophobicContact CG-CD2 4.23Å; F17-L93 HydrophobicContact CD2-CD2 4.23Å; F17-L93 HydrophobicContact CE2-CD2 3.91Å; F24-L93 HydrophobicContact CE1-CD1 3.68Å; F24-L93 HydrophobicContact CE1-CD2 3.93Å; F24-L93 HydrophobicContact CE1-CG 4.29Å; F24-L93 HydrophobicContact CE2-CD1 3.96Å; F24-L93 HydrophobicContact CZ-CD1 3.21Å; F24-L93 HydrophobicContact CZ-CD2 4.33Å; F24-L93 HydrophobicContact CZ-CG 4.25Å; W63-L93 HydrophobicContact CH2-CB 3.85Å; W63-L93 HydrophobicContact CH2-CD1 3.35Å; W63-L93 HydrophobicContact CH2-CG 4.15Å; W63-L93 HydrophobicContact CZ2-CB 4.09Å; W63-L93 HydrophobicContact CZ2-CD1 4.34Å; W63-L93 HydrophobicContact CZ3-CD1 3.67Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 3.31Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.24Å; L93-L96 HydrophobicContact CD1-CD2 4.44Å; L93-L96 WeakPolarHBondContact O-CB 3.49Å; L93-L96 PolarHBondContact O-N 2.7Å; L93-I97 HydrophobicContact CD1-CD1 4.25Å; L93-I97 HydrophobicContact CD1-CG1 4.38Å; L93-I97 HydrophobicContact CD2-CD1 4.36Å; L93-I97 HydrophobicContact CG-CD1 3.93Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CG1 3.43Å; L93-I97 PolarHBondContact O-N 3.27Å
94	K	87.4	Confident	82.7	Confident	51 Å²	51	39.5 Å²	39.5	22%	0.222	19%	0.194	C	C	.	.	H	α-helix	trans	-55.1	-48.8	174.2	-175.8	-176.8	-177.6	-170.1	0	111	L90 L96 I97 C98 V112 L115 D116	L90-K94 WeakPolarHBondContact O-CB 3.47Å; L90-K94 PolarHBondContact O-N 3Å; K94-L96 VanDerWaalsContact C-N 3.33Å; K94-L96 PolarHBondContact O-N 3.34Å; K94-I97 PolarHBondContact O-N 3.35Å; K94-C98 WeakPolarHBondContact O-CB 3.41Å; K94-C98 PolarHBondContact O-N 2.88Å; K94-C98 PolarHBondContact O-SG 3.49Å; K94-V112 HydrophobicContact CG-CG1 3.89Å; K94-L115 HydrophobicContact CB-CB 4.25Å; K94-L115 HydrophobicContact CB-CD1 3.7Å; K94-L115 HydrophobicContact CD-CB 4.46Å; K94-L115 HydrophobicContact CG-CD1 4.27Å; K94-D116 IonicContact NZ-OD1 3.64Å; K94-D116 PolarHBondContact NZ-OD1 3.18Å; K94-D116 IonicContact NZ-OD2 2.83Å; K94-D116 PolarHBondContact NZ-OD2 2.92Å
95	K	86.4	Confident	83.7	Confident	68 Å²	68	37.7 Å²	37.7	30%	0.296	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-42.9	179.7	-178.2	57.1	171.1	144	0	111.6	L79 Q91 Q92 L93 C98 D99	L79-K95 HydrophobicContact CD2-CB 3.91Å; L79-K95 HydrophobicContact CD2-CG 3.74Å; Q91-K95 WeakPolarHBondContact O-CB 3.36Å; Q91-K95 PolarHBondContact O-N 3.24Å; Q92-K95 PolarHBondContact O-N 3.22Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.24Å; K95-C98 PolarHBondContact O-N 3.14Å; K95-D99 WeakPolarHBondContact CE-OD2 3.31Å; K95-D99 IonicContact NZ-OD1 2.73Å; K95-D99 PolarHBondContact NZ-OD1 2.9Å; K95-D99 IonicContact NZ-OD2 3.17Å; K95-D99 PolarHBondContact NZ-OD2 3.47Å; K95-D99 WeakPolarHBondContact O-CB 3.46Å; K95-D99 PolarHBondContact O-N 3.35Å
96	L	88.7	Confident	84.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-51.7	176.5	176.6	60.9	0	0	0	111.2	I48 W63 V75 L76 L79 Q92 L93 K94 C98 D99 L100	I48-L96 HydrophobicContact CD1-CD2 4.13Å; I48-L96 HydrophobicContact CG2-CD2 3.87Å; W63-L96 HydrophobicContact CD2-CD2 4Å; W63-L96 HydrophobicContact CE3-CD2 3.37Å; W63-L96 HydrophobicContact CH2-CD2 4.44Å; W63-L96 HydrophobicContact CZ3-CD2 3.64Å; V75-L96 HydrophobicContact CG1-CD1 3.8Å; L76-L96 HydrophobicContact CD2-CD1 4.21Å; L79-L96 HydrophobicContact CD1-CB 4.15Å; L79-L96 HydrophobicContact CD1-CD1 4.16Å; L79-L96 HydrophobicContact CD2-CB 4.04Å; Q92-L96 WeakPolarHBondContact O-CB 3.48Å; Q92-L96 PolarHBondContact O-N 3.4Å; L93-L96 HydrophobicContact CD1-CD2 4.44Å; L93-L96 WeakPolarHBondContact O-CB 3.49Å; L93-L96 PolarHBondContact O-N 2.7Å; K94-L96 VanDerWaalsContact C-N 3.33Å; K94-L96 PolarHBondContact O-N 3.34Å; L96-C98 VanDerWaalsContact C-N 3.34Å; L96-C98 PolarHBondContact O-N 3.35Å; L96-D99 PolarHBondContact O-N 3.43Å; L96-L100 HydrophobicContact CD1-CD1 3.79Å; L96-L100 HydrophobicContact CD1-CG 3.96Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 WeakPolarHBondContact O-CB 3.42Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.34Å; L96-L100 PolarHBondContact O-N 2.92Å
97	I	86.4	Confident	85.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-45.1	179.4	-63.9	168.7	0	0	0	110.4	F17 F24 F38 L93 K94 D99 L100 C101 V112	F17-I97 HydrophobicContact CE1-CD1 4.06Å; F17-I97 HydrophobicContact CE2-CD1 3.99Å; F17-I97 HydrophobicContact CZ-CD1 3.54Å; F24-I97 HydrophobicContact CB-CD1 4.12Å; F24-I97 HydrophobicContact CB-CG1 4.48Å; F24-I97 HydrophobicContact CD1-CD1 3.88Å; F24-I97 HydrophobicContact CD2-CD1 4.05Å; F24-I97 HydrophobicContact CD2-CG1 3.85Å; F24-I97 HydrophobicContact CE1-CD1 4.27Å; F24-I97 HydrophobicContact CE2-CD1 4.4Å; F24-I97 HydrophobicContact CE2-CG1 4.13Å; F24-I97 HydrophobicContact CG-CD1 3.73Å; F24-I97 HydrophobicContact CG-CG1 4.04Å; F24-I97 HydrophobicContact CZ-CD1 4.49Å; F38-I97 HydrophobicContact CE2-CG2 4.32Å; L93-I97 HydrophobicContact CD1-CD1 4.25Å; L93-I97 HydrophobicContact CD1-CG1 4.38Å; L93-I97 HydrophobicContact CD2-CD1 4.36Å; L93-I97 HydrophobicContact CG-CD1 3.93Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CG1 3.43Å; L93-I97 PolarHBondContact O-N 3.27Å; K94-I97 PolarHBondContact O-N 3.35Å; I97-D99 PolarHBondContact O-N 3.46Å; I97-L100 PolarHBondContact O-N 2.98Å; I97-C101 WeakPolarHBondContact O-CB 3.44Å; I97-C101 PolarHBondContact O-N 2.77Å; I97-C101 PolarHBondContact O-SG 3.32Å; I97-C101 VanDerWaalsContact O-SG 3.34Å; I97-V112 HydrophobicContact CB-CG2 4.47Å; I97-V112 HydrophobicContact CG2-CG1 4.36Å; I97-V112 HydrophobicContact CG2-CG2 3.59Å
98	C	87	Confident	85.2	Confident	14 Å²	14	41.6 Å²	41.6	10%	0.095	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-42.8	177.5	-73.1	0	0	0	0	112.9	K94 K95 L96 R102	K94-C98 WeakPolarHBondContact O-CB 3.41Å; K94-C98 PolarHBondContact O-N 2.88Å; K94-C98 PolarHBondContact O-SG 3.49Å; K95-C98 PolarHBondContact O-N 3.14Å; L96-C98 VanDerWaalsContact C-N 3.34Å; L96-C98 PolarHBondContact O-N 3.35Å; C98-R102 WeakPolarHBondContact O-CG 3.32Å; C98-R102 PolarHBondContact O-N 3.49Å
99	D	87.1	Confident	84.9	Confident	9 Å²	9	44 Å²	44	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-75.6	-33.1	-178	-73.7	-11	0	0	0	112.1	V75 K95 L96 I97 R102 L103	V75-D99 HydrophobicContact CG1-CB 3.76Å; V75-D99 HydrophobicContact CG2-CB 4.39Å; K95-D99 WeakPolarHBondContact CE-OD2 3.31Å; K95-D99 IonicContact NZ-OD1 2.73Å; K95-D99 PolarHBondContact NZ-OD1 2.9Å; K95-D99 IonicContact NZ-OD2 3.17Å; K95-D99 PolarHBondContact NZ-OD2 3.47Å; K95-D99 WeakPolarHBondContact O-CB 3.46Å; K95-D99 PolarHBondContact O-N 3.35Å; L96-D99 PolarHBondContact O-N 3.43Å; I97-D99 PolarHBondContact O-N 3.46Å; D99-R102 PolarHBondContact O-N 3.22Å; D99-R102 IonicContact OD1-CZ 2.72Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.37Å; D99-L103 WeakPolarHBondContact O-CB 3.45Å; D99-L103 PolarHBondContact O-N 3.43Å
100	L	86.6	Confident	84.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-44.9	169.7	-70.3	173.1	0	0	0	111.5	F38 L46 I48 L72 V75 L96 I97 R102 L103 Y104	F38-L100 HydrophobicContact CB-CD1 4.17Å; F38-L100 HydrophobicContact CD1-CB 4.33Å; F38-L100 HydrophobicContact CD1-CD1 4.28Å; F38-L100 HydrophobicContact CD2-CB 4.27Å; F38-L100 HydrophobicContact CD2-CD1 3.91Å; F38-L100 HydrophobicContact CE1-CB 3.97Å; F38-L100 HydrophobicContact CE2-CB 3.92Å; F38-L100 HydrophobicContact CE2-CD1 4.38Å; F38-L100 HydrophobicContact CG-CB 4.48Å; F38-L100 HydrophobicContact CG-CD1 3.85Å; F38-L100 HydrophobicContact CZ-CB 3.75Å; L46-L100 HydrophobicContact CD1-CD2 4.39Å; I48-L100 HydrophobicContact CD1-CD1 3.53Å; L72-L100 HydrophobicContact CD2-CD2 3.47Å; L72-L100 VanDerWaalsContact CD2-CD2 3.47Å; V75-L100 HydrophobicContact CG1-CD2 4.44Å; L96-L100 HydrophobicContact CD1-CD1 3.79Å; L96-L100 HydrophobicContact CD1-CG 3.96Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 WeakPolarHBondContact O-CB 3.42Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.34Å; L96-L100 PolarHBondContact O-N 2.92Å; I97-L100 PolarHBondContact O-N 2.98Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 3.03Å; L100-L103 PolarHBondContact O-N 2.86Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 WeakPolarHBondContact O-CD2 3.31Å; L100-Y104 PolarHBondContact O-N 2.96Å
101	C	86.4	Confident	84.1	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-40	174.3	-73.1	0	0	0	0	111.8	I97 N105 L106 Q108	I97-C101 WeakPolarHBondContact O-CB 3.44Å; I97-C101 PolarHBondContact O-N 2.77Å; I97-C101 PolarHBondContact O-SG 3.32Å; I97-C101 VanDerWaalsContact O-SG 3.34Å; C101-N105 CarbonylContact O-C 3.55Å; C101-N105 WeakPolarHBondContact O-CA 3.26Å; C101-N105 PolarHBondContact O-N 2.68Å; C101-L106 HydrophobicContact CB-CB 4.43Å; C101-L106 PolarHBondContact O-N 2.98Å; C101-Q108 HydrophobicContact CB-CG 3.98Å
102	R	86.9	Confident	83.7	Confident	159 Å²	159	46.3 Å²	46.3	60%	0.6	23%	0.232	S	C	*	.	H	α-helix	trans	-66.5	-43.3	175.3	-74.9	172.4	-175.5	145.8	-0.3	112.6	C98 D99 L100 Y104 N105	C98-R102 WeakPolarHBondContact O-CG 3.32Å; C98-R102 PolarHBondContact O-N 3.49Å; D99-R102 PolarHBondContact O-N 3.22Å; D99-R102 IonicContact OD1-CZ 2.72Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.37Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 3.03Å; R102-Y104 VanDerWaalsContact C-N 3.31Å; R102-Y104 PolarHBondContact O-N 2.94Å; R102-N105 PolarHBondContact O-N 3.28Å
103	L	86.9	Confident	83.2	Confident	64 Å²	64	52.7 Å²	52.7	34%	0.335	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-42	-179.2	179.1	64.1	0	0	0	111.5	L72 V75 D99 L100	L72-L103 HydrophobicContact CD2-CD2 3.81Å; L72-L103 HydrophobicContact CG-CD2 4.45Å; V75-L103 HydrophobicContact CG2-CD2 4.12Å; D99-L103 WeakPolarHBondContact O-CB 3.45Å; D99-L103 PolarHBondContact O-N 3.43Å; L100-L103 PolarHBondContact O-N 2.86Å
104	Y	84.4	Confident	82.7	Confident	46 Å²	46	55.8 Å²	55.8	18%	0.18	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	5.5	-178.9	-66.8	-68.8	0	0	0	114.3	F38 V40 L46 L72 L100 R102 L106	F38-Y104 HydrophobicContact CE1-CD2 4.29Å; V40-Y104 HydrophobicContact CB-CG 4.48Å; V40-Y104 HydrophobicContact CG1-CD1 3.33Å; V40-Y104 HydrophobicContact CG1-CD2 4.03Å; V40-Y104 HydrophobicContact CG1-CE1 3.69Å; V40-Y104 HydrophobicContact CG1-CE2 4.35Å; V40-Y104 HydrophobicContact CG1-CG 3.51Å; V40-Y104 HydrophobicContact CG2-CD1 4.47Å; V40-Y104 HydrophobicContact CG2-CD2 3.91Å; V40-Y104 HydrophobicContact CG2-CE1 4.33Å; V40-Y104 HydrophobicContact CG2-CE2 3.76Å; V40-Y104 HydrophobicContact CG2-CG 4.26Å; L46-Y104 HydrophobicContact CD1-CE2 3.59Å; L72-Y104 HydrophobicContact CD2-CE2 4.16Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 WeakPolarHBondContact O-CD2 3.31Å; L100-Y104 PolarHBondContact O-N 2.96Å; R102-Y104 VanDerWaalsContact C-N 3.31Å; R102-Y104 PolarHBondContact O-N 2.94Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.72Å
105	N	83.3	Confident	82.2	Confident	151 Å²	151	53.8 Å²	53.8	81%	0.807	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	45.2	-178.5	-163.7	43.2	0	0	0	113.7	C101 R102	C101-N105 CarbonylContact O-C 3.55Å; C101-N105 WeakPolarHBondContact O-CA 3.26Å; C101-N105 PolarHBondContact O-N 2.68Å; R102-N105 PolarHBondContact O-N 3.28Å
106	L	83.8	Confident	81.6	Confident	36 Å²	36	55.7 Å²	55.7	19%	0.188	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-101.8	147.8	-179.6	-61.5	171.8	0	0	0	111.4	F38 V40 C101 Y104	F38-L106 HydrophobicContact CE1-CD1 3.94Å; F38-L106 HydrophobicContact CZ-CD1 4Å; V40-L106 WeakPolarHBondContact O-CD1 3.42Å; V40-L106 WeakPolarHBondContact O-CD2 3.28Å; C101-L106 HydrophobicContact CB-CB 4.43Å; C101-L106 PolarHBondContact O-N 2.98Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.72Å
107	P	77.9	Confident	81	Confident	90 Å²	90	60.7 Å²	60.7	58%	0.584	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-64.6	139	172.6	27.9	-33.5	0	0	0	110.3
108	Q	75.5	Confident	80.1	Confident	93 Å²	93	66.2 Å²	66.2	44%	0.435	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-75	133.4	173.5	-66.9	-176.5	-2.2	0	0	109.4	C101	C101-Q108 HydrophobicContact CB-CG 3.98Å
109	H	77.6	Confident	79.3	Confident	51 Å²	51	68.1 Å²	68.1	24%	0.236	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-77	139.5	176.4	-159.2	-96	0	0	0	109.7	H21 D111 V112	H21-H109 AromaticContact CE1-CG 3.75Å; H21-H109 AromaticContact CE1-ND1 3.65Å; H21-H109 AromaticContact NE2-ND1 3.67Å; H109-D111 IonicContact CE1-OD1 2.9Å; H109-D111 IonicContact CE1-OD2 2.67Å; H109-D111 PolarHBondContact CE1-OD2 3Å; H109-D111 WeakPolarHBondContact ND1-CB 3.33Å; H109-D111 PolarHBondContact ND1-N 3.46Å; H109-D111 IonicContact ND1-OD1 2.91Å; H109-D111 IonicContact ND1-OD2 2.74Å; H109-D111 PolarHBondContact ND1-OD2 3.35Å; H109-D111 PolarHBondContact O-N 3.33Å; H109-D111 VanDerWaalsContact O-N 3.14Å; H109-V112 HydrophobicContact CB-CG2 4.44Å; H109-V112 WeakPolarHBondContact O-CB 3.43Å; H109-V112 WeakPolarHBondContact O-CG2 3.37Å; H109-V112 PolarHBondContact O-N 3.22Å
110	P	72.7	Confident	78.2	Confident	84 Å²	84	72.1 Å²	72.1	55%	0.545	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.2	179.1	21.7	-33.5	0	0	0	113.2	V112 E113	P110-V112 PolarHBondContact O-N 2.9Å; P110-V112 VanDerWaalsContact O-N 3.12Å; P110-E113 WeakPolarHBondContact O-CB 3.27Å; P110-E113 PolarHBondContact O-N 2.86Å
111	D	79.9	Confident	76.2	Confident	42 Å²	42	77 Å²	77	23%	0.225	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-20.8	177.8	-61	-6.8	0	0	0	113.3	I16 H21 H109 E113 M114	I16-D111 HydrophobicContact CG2-CB 3.83Å; H21-D111 IonicContact CD2-OD2 3.76Å; H21-D111 IonicContact NE2-OD2 3.26Å; H21-D111 PolarHBondContact NE2-OD2 3.46Å; H109-D111 IonicContact CE1-OD1 2.9Å; H109-D111 IonicContact CE1-OD2 2.67Å; H109-D111 PolarHBondContact CE1-OD2 3Å; H109-D111 WeakPolarHBondContact ND1-CB 3.33Å; H109-D111 PolarHBondContact ND1-N 3.46Å; H109-D111 IonicContact ND1-OD1 2.91Å; H109-D111 IonicContact ND1-OD2 2.74Å; H109-D111 PolarHBondContact ND1-OD2 3.35Å; H109-D111 PolarHBondContact O-N 3.33Å; H109-D111 VanDerWaalsContact O-N 3.14Å; D111-E113 PolarHBondContact O-N 3.04Å; D111-M114 HydrophobicContact CB-SD 4.4Å; D111-M114 VanDerWaalsContact O-CB 3.3Å; D111-M114 WeakPolarHBondContact O-CB 3.28Å; D111-M114 PolarHBondContact O-N 2.8Å; D111-M114 VanDerWaalsContact O-N 3.09Å
112	V	78.2	Confident	74	Confident	6 Å²	6	79.4 Å²	79.4	4%	0.036	44%	0.443	C	S	.	.	H	α-helix	trans	-66.4	-25.5	173.2	-177	0	0	0	0	111.5	K94 I97 H109 P110 M114	K94-V112 HydrophobicContact CG-CG1 3.89Å; I97-V112 HydrophobicContact CB-CG2 4.47Å; I97-V112 HydrophobicContact CG2-CG1 4.36Å; I97-V112 HydrophobicContact CG2-CG2 3.59Å; H109-V112 HydrophobicContact CB-CG2 4.44Å; H109-V112 WeakPolarHBondContact O-CB 3.43Å; H109-V112 WeakPolarHBondContact O-CG2 3.37Å; H109-V112 PolarHBondContact O-N 3.22Å; P110-V112 PolarHBondContact O-N 2.9Å; P110-V112 VanDerWaalsContact O-N 3.12Å; V112-M114 VanDerWaalsContact C-N 3.34Å
113	E	74.8	Confident	71.7	Confident	136 Å²	136	78.4 Å²	78.4	64%	0.636	46%	0.457	S	S	*	.	H	α-helix	trans	-77.7	-21	174.3	-57	-171.7	164.5	0	0	112.1	P110 D111 L115 D116	P110-E113 WeakPolarHBondContact O-CB 3.27Å; P110-E113 PolarHBondContact O-N 2.86Å; D111-E113 PolarHBondContact O-N 3.04Å; E113-L115 PolarHBondContact O-N 2.87Å; E113-D116 PolarHBondContact O-N 2.88Å; E113-D116 VanDerWaalsContact O-N 3.14Å
114	M	78.1	Confident	69.1	Low	66 Å²	66	82 Å²	82	33%	0.325	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-21.3	174.7	-61.5	-177.9	65.9	0	0	112.3	F12 I16 D111 V112 D116 Q117	F12-M114 WeakPolarHBondContact CZ-O 3.34Å; I16-M114 HydrophobicContact CD1-CB 3.82Å; I16-M114 HydrophobicContact CG1-CB 4.32Å; I16-M114 HydrophobicContact CG1-CE 4.37Å; D111-M114 HydrophobicContact CB-SD 4.4Å; D111-M114 VanDerWaalsContact O-CB 3.3Å; D111-M114 WeakPolarHBondContact O-CB 3.28Å; D111-M114 PolarHBondContact O-N 2.8Å; D111-M114 VanDerWaalsContact O-N 3.09Å; V112-M114 VanDerWaalsContact C-N 3.34Å; M114-D116 PolarHBondContact O-N 2.85Å; M114-Q117 WeakPolarHBondContact O-CB 3.32Å; M114-Q117 WeakPolarHBondContact O-CG 3.24Å; M114-Q117 PolarHBondContact O-N 3.45Å
115	L	76.9	Confident	66.6	Low	9 Å²	9	83 Å²	83	5%	0.047	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.9	174.8	-62.2	176.7	0	0	0	114.1	L13 I16 F17 L90 K94 E113 Q117	L13-L115 HydrophobicContact CD2-CD2 3.44Å; L13-L115 VanDerWaalsContact CD2-CD2 3.44Å; I16-L115 HydrophobicContact CD1-CD2 3.88Å; F17-L115 HydrophobicContact CE2-CD1 3.96Å; F17-L115 HydrophobicContact CE2-CD2 3.93Å; F17-L115 HydrophobicContact CE2-CG 4.23Å; F17-L115 HydrophobicContact CZ-CD1 4.03Å; F17-L115 HydrophobicContact CZ-CG 4.39Å; L90-L115 HydrophobicContact CD2-CD2 4.23Å; K94-L115 HydrophobicContact CB-CB 4.25Å; K94-L115 HydrophobicContact CB-CD1 3.7Å; K94-L115 HydrophobicContact CD-CB 4.46Å; K94-L115 HydrophobicContact CG-CD1 4.27Å; E113-L115 PolarHBondContact O-N 2.87Å; L115-Q117 VanDerWaalsContact C-N 3.34Å
116	D	75.1	Confident	64.2	Low	107 Å²	107	84.4 Å²	84.4	57%	0.572	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.2	172.5	-65.7	-36.7	0	0	0	113.1	K94 E113 M114	K94-D116 IonicContact NZ-OD1 3.64Å; K94-D116 PolarHBondContact NZ-OD1 3.18Å; K94-D116 IonicContact NZ-OD2 2.83Å; K94-D116 PolarHBondContact NZ-OD2 2.92Å; E113-D116 PolarHBondContact O-N 2.88Å; E113-D116 VanDerWaalsContact O-N 3.14Å; M114-D116 PolarHBondContact O-N 2.85Å
117	Q	75.1	Confident	61.7	Low	105 Å²	105	90.7 Å²	90.7	49%	0.491	54%	0.536	S	S	.	.	S	Bend	trans	-74.9	145.2	-178.6	-62.1	-174.6	13.8	0	0	111	F12 M114 L115	F12-Q117 HydrophobicContact CZ-CB 4.26Å; M114-Q117 WeakPolarHBondContact O-CB 3.32Å; M114-Q117 WeakPolarHBondContact O-CG 3.24Å; M114-Q117 PolarHBondContact O-N 3.45Å; L115-Q117 VanDerWaalsContact C-N 3.34Å
118	P	67.4	Low	59.3	Low	119 Å²	119	92.8 Å²	92.8	77%	0.773	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-63.2	142.8	175.1	26.3	-32.7	0	0	0	110.6
119	L	71.3	Confident	57.1	Low	55 Å²	55	100.2 Å²	100.2	29%	0.288	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-53.8	134.7	177.4	-70.3	170.1	0	0	0	110.7	A8 E9 F12 T87 L90 A121	A8-L119 HydrophobicContact CB-CD1 4.29Å; E9-L119 HydrophobicContact CG-CD1 3.89Å; E9-L119 HydrophobicContact CG-CD2 4.21Å; F12-L119 HydrophobicContact CB-CD2 3.73Å; F12-L119 HydrophobicContact CD1-CD2 3.99Å; F12-L119 HydrophobicContact CG-CD2 3.97Å; T87-L119 HydrophobicContact CG2-CD1 4.07Å; T87-L119 HydrophobicContact CG2-CG 4.4Å; L90-L119 HydrophobicContact CD1-CD2 4.03Å; L119-A121 PolarHBondContact O-N 3.09Å
120	P	62.9	Low	54.8	Low	93 Å²	93	106.7 Å²	106.7	60%	0.604	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-61.7	125.1	177.3	20.7	-28.4	0	0	0	110.3	F12 G122	F12-P120 HydrophobicContact CD2-CG 4.13Å; P120-G122 PolarHBondContact O-N 3.39Å
121	A	45.9	Very low	52.7	Low	102 Å²	102	112 Å²	112	84%	0.843	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-66.8	119.2	179.4	0	0	0	0	0	110.2	L119	L119-A121 PolarHBondContact O-N 3.09Å
122	G	39.9	Very low	50.1	Low	53 Å²	53	112.9 Å²	112.9	55%	0.546	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-61.9	155.6	172.5	0	0	0	0	0	112.2	P120 V124	P120-G122 PolarHBondContact O-N 3.39Å; G122-V124 PolarHBondContact O-N 2.97Å; G122-V124 VanDerWaalsContact O-N 3.12Å
123	P	38.2	Very low	47.5	Very low	138 Å²	138	119.3 Å²	119.3	90%	0.896	67%	0.669	S	S	*	*			trans	-66.9	114.4	-168	25.5	-32.2	0	0	0	111.4
124	V	33.1	Very low	45.2	Very low	139 Å²	139	121.7 Å²	121.7	84%	0.842	68%	0.68	S	S	*	*			trans	-77.8	115.7	165.6	178.1	0	0	0	0	107.4	G122 Q126	G122-V124 PolarHBondContact O-N 2.97Å; G122-V124 VanDerWaalsContact O-N 3.12Å; V124-Q126 PolarHBondContact O-N 3.28Å
125	G	31.9	Very low	42.6	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	71%	0.706	S	S	*	*			trans	-72.5	117.8	168.4	0	0	0	0	0	111.1
126	Q	31.6	Very low	40.4	Very low	180 Å²	180	134 Å²	134	84%	0.841	75%	0.746	S	S	*	*			trans	-177.4	115.9	133.5	-108.1	174.5	-0.3	0	0	111.7	V124	V124-Q126 PolarHBondContact O-N 3.28Å
127	Q	31.2	Very low	38	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	76%	0.755	S	S	*	*			trans	34	129.2	140.4	-77.5	172.9	-8	0	0	122.2
128	D	28.8	Very low	35.7	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	76%	0.763	S	S	*	*			trans	69.5	101.1	142.7	-70.8	-50.1	0	0	0	119.7
129	R	28.5	Very low	33.9	Very low	249 Å²	249	137.1 Å²	137.1	94%	0.94	77%	0.766	S	S	*	*				-155	114.1	122.2	-111	169.8	178.3	-172.7	-1.3	112.6
130	K	30	Very low	31.8	Very low	188 Å²	188	143 Å²	143	82%	0.817	79%	0.792	S	S	*	*			trans	-66.8	135.4	165.3	-77	178.2	170.3	178.8	0	112.1
131	H	27.3	Very low	30.2	Very low	196 Å²	196	148.3 Å²	148.3	91%	0.907	81%	0.809	S	S	*	*			trans	144	129.5	145.1	-98.9	72.2	0	0	0	108
132	G	25.3	Very low	29.5	Very low	60 Å²	60	152 Å²	152	62%	0.619	81%	0.809	S	S	*	*			cis	177.5	146.7	0.3	0	0	0	0	0	108.7
133	T	24.4	Very low	29	Very low	140 Å²	140	158.5 Å²	158.5	86%	0.859	83%	0.825	S	S	*	*			trans	36.7	123.7	148.3	36.3	0	0	0	0	122.2
134	E	25.7	Very low	28.6	Very low	186 Å²	186	160.6 Å²	160.6	87%	0.869	82%	0.823	S	S	*	*				166.1	94.2	124	-89.8	178.1	-168	0	0	107.3
135	E	25.2	Very low	28.6	Very low	187 Å²	187	162.9 Å²	162.9	87%	0.874	82%	0.824	S	S	*	*				41.7	111	102.6	-72.9	-165.7	-178.4	0	0	114.6
136	V	29.5	Very low	28.8	Very low	146 Å²	146	167.2 Å²	167.2	89%	0.885	83%	0.828	S	S	*	*				-157.2	142.1	113.4	-148.5	0	0	0	0	110.2
137	T	24.1	Very low	29.2	Very low	123 Å²	123	161.9 Å²	161.9	76%	0.755	82%	0.821	S	S	*	*			trans	-70.3	155.3	-177.7	51.4	0	0	0	0	115.7
138	S	27.9	Very low	29.3	Very low	95 Å²	95	161.1 Å²	161.1	66%	0.664	82%	0.818	S	S	*	*				171.6	118.1	114.6	56.4	0	0	0	0	114
139	E	28.4	Very low	29.6	Very low	180 Å²	180	162 Å²	162	84%	0.841	82%	0.822	S	S	*	*			trans	72.2	100.8	130.8	-60.5	170.1	-162	0	0	117.8
140	E	27.2	Very low	30	Very low	179 Å²	179	157.9 Å²	157.9	84%	0.836	82%	0.817	S	S	*	*				65.3	101.9	81.8	-75.4	-172.7	-164.5	0	0	114
141	E	30.3	Very low	30.5	Very low	203 Å²	203	157.1 Å²	157.1	95%	0.949	82%	0.817	S	S	*	*			trans	-140	108.2	138.1	-73.3	-168.2	165.8	0	0	107.9
142	E	30.2	Very low	31	Very low	179 Å²	179	155.5 Å²	155.5	84%	0.836	82%	0.815	S	S	*	*			trans	-79.6	128.7	164.2	-65.5	178.8	153.3	0	0	108.3
143	E	31.2	Very low	31.6	Very low	190 Å²	190	160.6 Å²	160.6	89%	0.888	83%	0.827	S	S	*	*			trans	-139.9	99.5	149.2	-77.1	-162.8	168.9	0	0	110.1
144	E	29.3	Very low	32	Very low	183 Å²	183	160.7 Å²	160.7	86%	0.855	82%	0.822	S	S	*	*			trans	60.2	101.4	134.3	-57.6	-166.9	167.3	0	0	120.4	M146	E144-M146 PolarHBondContact O-N 2.98Å
145	E	33.6	Very low	32.9	Very low	187 Å²	187	158.2 Å²	158.2	87%	0.874	81%	0.81	S	S	*	*			trans	-39.5	114.3	149.2	-169.1	177.1	-154	0	0	113.4
146	M	35.6	Very low	33.5	Very low	159 Å²	159	160.7 Å²	160.7	78%	0.783	81%	0.813	S	S	*	*			trans	-118.2	84.1	152.8	-82.1	-78.3	-70.5	0	0	107.4	E144 E148	E144-M146 PolarHBondContact O-N 2.98Å; M146-E148 PolarHBondContact O-N 3.37Å
147	G	38.8	Very low	33.9	Very low	67 Å²	67	160.5 Å²	160.5	69%	0.691	80%	0.803	S	S	*	*			trans	-73.8	107.9	161.1	0	0	0	0	0	109.1
148	E	34.1	Very low	34.9	Very low	152 Å²	152	163.2 Å²	163.2	71%	0.71	81%	0.809	S	S	*	*			trans	-135.5	103.7	157.1	-71.1	-169.3	167.9	0	0	108	M146	M146-E148 PolarHBondContact O-N 3.37Å
149	D	35.4	Very low	35.2	Very low	153 Å²	153	167.3 Å²	167.3	82%	0.818	82%	0.815	S	S	*	*			trans	52.9	81.8	145.4	-52.7	-22.3	0	0	0	118.6
150	I	36.6	Very low	35.8	Very low	162 Å²	162	167.3 Å²	167.3	83%	0.831	82%	0.815	S	S	*	*			trans	-110	57.9	150.7	-51.9	171.9	0	0	0	107.9
151	E	41.1	Very low	36.1	Very low	172 Å²	172	167.1 Å²	167.1	80%	0.804	81%	0.814	S	S	*	*			trans	-111.2	96.4	158	-72.3	-172.2	175.8	0	0	105.8
152	D	37.3	Very low	36.2	Very low	163 Å²	163	165.4 Å²	165.4	87%	0.872	81%	0.806	S	S	*	*	S	Bend	trans	152	35.4	159.4	-79.2	-17.4	0	0	0	114.7
153	L	37.4	Very low	36.4	Very low	167 Å²	167	162.8 Å²	162.8	87%	0.874	80%	0.804	S	S	*	*			trans	-116.8	26	163	-96.8	155.1	0	0	0	112.6	H155	L153-H155 PolarHBondContact O-N 3.31Å
154	D	33.9	Very low	36.6	Very low	141 Å²	141	159 Å²	159	75%	0.754	79%	0.794	S	S	*	*			trans	-74.7	120.6	163.6	-92.1	-32	0	0	0	110.5
155	H	43.5	Very low	37	Very low	135 Å²	135	158.5 Å²	158.5	63%	0.625	80%	0.797	S	S	*	*			trans	78.6	70.9	151.5	-58.4	33.9	0	0	0	117.3	L153 E157	L153-H155 PolarHBondContact O-N 3.31Å; H155-E157 HydrophobicContact CB-CG 4.45Å; H155-E157 PolarHBondContact O-N 2.93Å
156	Y	37.7	Very low	37.5	Very low	239 Å²	239	153.1 Å²	153.1	94%	0.937	79%	0.792	S	S	*	*			trans	-79.8	72.5	131.7	-104.3	-92	0	0	0	108.3	M158	Y156-M158 PolarHBondContact O-N 3.38Å; Y156-M158 VanDerWaalsContact O-N 3.13Å
157	E	38.6	Very low	37.7	Very low	141 Å²	141	154.3 Å²	154.3	66%	0.659	79%	0.793	S	S	*	*			trans	-58	115.3	150.1	-74.5	-174.8	154.6	0	0	105.3	H155 K159	H155-E157 HydrophobicContact CB-CG 4.45Å; H155-E157 PolarHBondContact O-N 2.93Å; E157-K159 PolarHBondContact O-N 3.39Å
158	M	45.1	Very low	38.2	Very low	181 Å²	181	159.8 Å²	159.8	89%	0.892	80%	0.798	S	S	*	*			trans	-54.9	98.9	155.1	-85.6	-165.8	-71.8	0	0	105	Y156 E160	Y156-M158 PolarHBondContact O-N 3.38Å; Y156-M158 VanDerWaalsContact O-N 3.13Å; M158-E160 PolarHBondContact O-N 3.18Å
159	K	33.7	Very low	39.7	Very low	181 Å²	181	155.6 Å²	155.6	79%	0.787	79%	0.785	S	S	*	*			trans	-47.9	119.4	164.9	-88.6	-178.7	172.9	174.6	0	105.3	E157 E161	E157-K159 PolarHBondContact O-N 3.39Å; K159-E161 PolarHBondContact O-N 3.38Å
160	E	41.8	Very low	41.3	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	78%	0.777	S	S	*	*			trans	-52.9	104.3	154.8	-73.1	-176.7	163.1	0	0	104.4	M158 E162	M158-E160 PolarHBondContact O-N 3.18Å; E160-E162 PolarHBondContact O-N 3.32Å
161	E	33.5	Very low	43.3	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	75%	0.748	S	S	*	*			trans	-60.8	100.8	163.2	-73.9	-166.8	166.2	0	0	104.5	K159	K159-E161 PolarHBondContact O-N 3.38Å
162	E	32.5	Very low	45.2	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	73%	0.731	S	S	*	*			trans	-48.7	136.4	162.4	-73.6	-157.9	160.4	0	0	107.2	E160 V164	E160-E162 PolarHBondContact O-N 3.32Å; E162-V164 PolarHBondContact O-N 3.02Å
163	P	33.4	Very low	47.3	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	71%	0.713	S	S	*	*			trans	-58	115.3	-174	23.2	-31.2	0	0	0	108.2	D165	P163-D165 PolarHBondContact O-N 3.32Å
164	V	35.4	Very low	49.8	Very low	112 Å²	112	132.1 Å²	132.1	68%	0.679	68%	0.675	S	S	*	*			trans	-57.9	108.3	168	178.4	0	0	0	0	106.3	E162 G166 K167	E162-V164 PolarHBondContact O-N 3.02Å; V164-G166 PolarHBondContact O-N 3.36Å; V164-K167 PolarHBondContact O-N 2.91Å
165	D	38.3	Very low	52.4	Low	171 Å²	171	130.2 Å²	130.2	91%	0.914	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	111.2	-177.1	-153.5	2.3	0	0	0	109.2	P163	P163-D165 PolarHBondContact O-N 3.32Å
166	G	43.4	Very low	54.5	Low	75 Å²	75	132.7 Å²	132.7	77%	0.773	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.5	-6.1	177.7	0	0	0	0	0	118	V164	V164-G166 PolarHBondContact O-N 3.36Å
167	K	40.2	Very low	57	Low	184 Å²	184	128.6 Å²	128.6	80%	0.8	66%	0.66	S	S	*	*	S	Bend	trans	-86.3	128	163.2	-84.5	178.7	179.3	172.4	0	109.2	V164 S169	V164-K167 PolarHBondContact O-N 2.91Å; K167-S169 PolarHBondContact O-N 3.49Å
168	K	50.1	Low	59.4	Low	181 Å²	181	122.3 Å²	122.3	79%	0.787	63%	0.631	S	S	*	*			trans	-46	127.9	160.8	-81.4	-177.5	177.7	176.9	0	107.5	E170 D172	K168-E170 PolarHBondContact O-N 3.25Å; K168-D172 VanDerWaalsContact CB-OD2 3.29Å; K168-D172 WeakPolarHBondContact CB-OD2 3.24Å; K168-D172 WeakPolarHBondContact CG-OD2 3.11Å
169	S	65	Low	61.6	Low	64 Å²	64	115.9 Å²	115.9	45%	0.448	60%	0.599	S	S	.	*			trans	-57.1	138.1	-176.9	82.9	0	0	0	0	107.8	K167 D171 D172	K167-S169 PolarHBondContact O-N 3.49Å; S169-D171 PolarHBondContact O-N 3.27Å; S169-D172 WeakPolarHBondContact CB-OD1 3.48Å; S169-D172 WeakPolarHBondContact O-CB 3.06Å; S169-D172 PolarHBondContact O-N 2.94Å; S169-D172 PolarHBondContact OG-N 3.45Å; S169-D172 PolarHBondContact OG-OD1 2.91Å
170	E	69.6	Low	64.2	Low	139 Å²	139	109.8 Å²	109.8	65%	0.65	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-18.8	178.5	-68.7	-167.7	156.2	0	0	111.4	K168 R213 R217	K168-E170 PolarHBondContact O-N 3.25Å; E170-R213 IonicContact OE2-NH1 3.59Å; E170-R213 PolarHBondContact OE2-NH1 3.36Å; E170-R217 PolarHBondContact O-NE 3.42Å; E170-R217 PolarHBondContact O-NH2 3.44Å
171	D	78.1	Confident	66.5	Low	41 Å²	41	104.4 Å²	104.4	22%	0.219	56%	0.559	C	S	.	*	T	Hydrogen-bonded Turn	trans	-98.9	6.6	-175.6	-66.9	-29.4	0	0	0	112.9	S169 G173 I174 L179 R186	S169-D171 PolarHBondContact O-N 3.27Å; D171-G173 PolarHBondContact O-N 3.37Å; D171-I174 PolarHBondContact O-N 3.22Å; D171-L179 HydrophobicContact CB-CD2 3.69Å; D171-R186 IonicContact OD1-NH2 2.88Å; D171-R186 IonicContact OD2-NH2 3.58Å; D171-R186 PolarHBondContact OD2-NH2 3.44Å
172	D	81.8	Confident	69.2	Low	81 Å²	81	96.1 Å²	96.1	43%	0.433	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	123.2	175.2	-82.7	2.6	0	0	0	111.3	K168 S169 R217	K168-D172 VanDerWaalsContact CB-OD2 3.29Å; K168-D172 WeakPolarHBondContact CB-OD2 3.24Å; K168-D172 WeakPolarHBondContact CG-OD2 3.11Å; S169-D172 WeakPolarHBondContact CB-OD1 3.48Å; S169-D172 WeakPolarHBondContact O-CB 3.06Å; S169-D172 PolarHBondContact O-N 2.94Å; S169-D172 PolarHBondContact OG-N 3.45Å; S169-D172 PolarHBondContact OG-OD1 2.91Å; D172-R217 WeakPolarHBondContact O-CD 3.17Å
173	G	81.2	Confident	71.9	Confident	48 Å²	48	94.4 Å²	94.4	50%	0.495	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	10.7	177.3	0	0	0	0	0	115.1	D171 K222	D171-G173 PolarHBondContact O-N 3.37Å; G173-K222 WeakPolarHBondContact O-CE 3.44Å; G173-K222 PolarHBondContact O-NZ 2.9Å
174	I	89.8	Confident	74.6	Confident	16 Å²	16	93.1 Å²	93.1	8%	0.082	49%	0.494	C	S	.	.			trans	-94.5	137.6	168.3	-58.6	179.9	0	0	0	109.3	D171 N178 L179 L182 R213 Y216 R217	D171-I174 PolarHBondContact O-N 3.22Å; I174-N178 HydrophobicContact CG2-CB 3.61Å; I174-L179 HydrophobicContact CB-CD2 3.75Å; I174-L179 HydrophobicContact CB-CG 4.11Å; I174-L179 HydrophobicContact CD1-CD2 4.34Å; I174-L179 HydrophobicContact CG2-CD2 3.67Å; I174-L179 HydrophobicContact CG2-CG 3.79Å; I174-L182 HydrophobicContact CD1-CD1 3.93Å; I174-R213 HydrophobicContact CD1-CB 4.2Å; I174-R213 HydrophobicContact CD1-CG 4.3Å; I174-Y216 HydrophobicContact CG2-CD2 4.38Å; I174-R217 HydrophobicContact CD1-CG 3.99Å; I174-R217 HydrophobicContact CG1-CG 3.41Å; I174-R217 VanDerWaalsContact CG1-CG 3.41Å
175	E	87.4	Confident	77.2	Confident	100 Å²	100	88.1 Å²	88.1	47%	0.467	46%	0.464	S	S	.	.			trans	-69.9	151.4	177	-62.1	177.9	169.7	0	0	112	E177 N178 L179	E175-E177 VanDerWaalsContact C-N 3.26Å; E175-E177 PolarHBondContact O-N 3.28Å; E175-E177 VanDerWaalsContact O-N 3.17Å; E175-N178 PolarHBondContact O-N 2.57Å; E175-L179 PolarHBondContact O-N 2.87Å
176	K	89	Confident	79.5	Confident	187 Å²	187	84.8 Å²	84.8	81%	0.813	44%	0.438	S	S	*	.	H	α-helix	trans	-55.6	-37.4	-175.1	-67.6	-174.7	178.9	-177.2	0	113.9	L179 A180	K176-L179 PolarHBondContact O-N 3.48Å; K176-A180 PolarHBondContact O-N 3.25Å; K176-A180 VanDerWaalsContact O-N 3.07Å
177	E	88.3	Confident	81.6	Confident	154 Å²	154	88 Å²	88	72%	0.72	43%	0.431	S	S	*	.	H	α-helix	trans	-65.3	-44.1	178.7	-63.7	179.7	-175.2	0	0	111.3	E175 L179 A180 I181	E175-E177 VanDerWaalsContact C-N 3.26Å; E175-E177 PolarHBondContact O-N 3.28Å; E175-E177 VanDerWaalsContact O-N 3.17Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.16Å; E177-A180 PolarHBondContact O-N 3.31Å; E177-I181 WeakPolarHBondContact O-CG1 3.46Å; E177-I181 PolarHBondContact O-N 3Å
178	N	90.9	Very high	83.7	Confident	9 Å²	9	81.6 Å²	81.6	5%	0.048	41%	0.406	C	S	.	.	H	α-helix	trans	-68.8	-32.7	177.8	-64.1	-48	0	0	0	112	I174 E175 I181 L182 Y216 Y221	I174-N178 HydrophobicContact CG2-CB 3.61Å; E175-N178 PolarHBondContact O-N 2.57Å; N178-I181 PolarHBondContact O-N 2.84Å; N178-L182 WeakPolarHBondContact O-CG 3.39Å; N178-L182 PolarHBondContact O-N 3.3Å; N178-L182 VanDerWaalsContact O-N 3.1Å; N178-Y216 HydrophobicContact CB-CD1 4.07Å; N178-Y216 HydrophobicContact CB-CD2 3.63Å; N178-Y216 HydrophobicContact CB-CE1 4.29Å; N178-Y216 HydrophobicContact CB-CE2 3.85Å; N178-Y216 HydrophobicContact CB-CG 3.74Å; N178-Y216 WeakPolarHBondContact OD1-CE1 3.46Å; N178-Y221 PolarHBondContact OD1-OH 3.29Å
179	L	89.8	Confident	85.2	Confident	45 Å²	45	75 Å²	75	24%	0.236	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-44.7	171.2	-68.8	176.1	0	0	0	111.9	D171 I174 E175 K176 E177 I181 L182 E183	D171-L179 HydrophobicContact CB-CD2 3.69Å; I174-L179 HydrophobicContact CB-CD2 3.75Å; I174-L179 HydrophobicContact CB-CG 4.11Å; I174-L179 HydrophobicContact CD1-CD2 4.34Å; I174-L179 HydrophobicContact CG2-CD2 3.67Å; I174-L179 HydrophobicContact CG2-CG 3.79Å; E175-L179 PolarHBondContact O-N 2.87Å; K176-L179 PolarHBondContact O-N 3.48Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.16Å; L179-I181 PolarHBondContact O-N 3.38Å; L179-L182 HydrophobicContact CD2-CD1 4.48Å; L179-L182 PolarHBondContact O-N 2.86Å; L179-L182 VanDerWaalsContact O-N 3.09Å; L179-E183 PolarHBondContact O-N 2.74Å
180	A	89.2	Confident	86.1	Confident	54 Å²	54	80.8 Å²	80.8	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-61	-35.9	177.2	0	0	0	0	0	112	K176 E177 K184	K176-A180 PolarHBondContact O-N 3.25Å; K176-A180 VanDerWaalsContact O-N 3.07Å; E177-A180 PolarHBondContact O-N 3.31Å; A180-K184 VanDerWaalsContact O-CB 3.29Å; A180-K184 WeakPolarHBondContact O-CB 3.36Å; A180-K184 PolarHBondContact O-N 2.79Å
181	I	90.3	Very high	86.6	Confident	65 Å²	65	79 Å²	79	33%	0.333	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-47.7	172.9	-65.3	168.8	0	0	0	110.5	E177 N178 L179 E183 K184 I185	E177-I181 WeakPolarHBondContact O-CG1 3.46Å; E177-I181 PolarHBondContact O-N 3Å; N178-I181 PolarHBondContact O-N 2.84Å; L179-I181 PolarHBondContact O-N 3.38Å; I181-E183 PolarHBondContact O-N 2.88Å; I181-K184 WeakPolarHBondContact O-CB 3.38Å; I181-K184 PolarHBondContact O-N 3.4Å; I181-I185 HydrophobicContact CG2-CD1 3.88Å; I181-I185 WeakPolarHBondContact O-CD1 3.47Å; I181-I185 VanDerWaalsContact O-CG1 3.25Å; I181-I185 WeakPolarHBondContact O-CG1 3.43Å; I181-I185 PolarHBondContact O-N 3.43Å
182	L	89.9	Confident	86.8	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-41.8	179	-68.7	168.1	0	0	0	112.7	I174 N178 L179 I185 R186 M209 L212 R213 Y216	I174-L182 HydrophobicContact CD1-CD1 3.93Å; N178-L182 WeakPolarHBondContact O-CG 3.39Å; N178-L182 PolarHBondContact O-N 3.3Å; N178-L182 VanDerWaalsContact O-N 3.1Å; L179-L182 HydrophobicContact CD2-CD1 4.48Å; L179-L182 PolarHBondContact O-N 2.86Å; L179-L182 VanDerWaalsContact O-N 3.09Å; L182-I185 PolarHBondContact O-N 3.02Å; L182-R186 WeakPolarHBondContact O-CG 3.29Å; L182-R186 PolarHBondContact O-N 3.46Å; L182-M209 HydrophobicContact CD2-CE 4.05Å; L182-M209 HydrophobicContact CD2-SD 4.45Å; L182-L212 HydrophobicContact CD2-CB 4.49Å; L182-L212 HydrophobicContact CD2-CD2 3.98Å; L182-L212 HydrophobicContact CD2-CG 4.23Å; L182-R213 HydrophobicContact CD1-CG 3.64Å; L182-R213 HydrophobicContact CD2-CG 3.86Å; L182-R213 HydrophobicContact CG-CG 4.4Å; L182-Y216 HydrophobicContact CD1-CD2 4.04Å; L182-Y216 HydrophobicContact CD1-CE2 4.4Å; L182-Y216 HydrophobicContact CD2-CD2 4.41Å; L182-Y216 HydrophobicContact CD2-CE2 4.18Å; L182-Y216 HydrophobicContact CG-CD2 4.18Å; L182-Y216 HydrophobicContact CG-CE2 4.04Å
183	E	89.9	Confident	86.6	Confident	132 Å²	132	80.7 Å²	80.7	62%	0.617	39%	0.387	S	S	*	.	H	α-helix	trans	-64	-43	175.2	-72.8	179.7	176.9	0	0	111.8	L179 I181 I185 R186 K187	L179-E183 PolarHBondContact O-N 2.74Å; I181-E183 PolarHBondContact O-N 2.88Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.32Å; E183-R186 PolarHBondContact O-N 3.45Å; E183-K187 PolarHBondContact O-N 3.03Å
184	K	90.2	Very high	86.5	Confident	96 Å²	96	84.8 Å²	84.8	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-58.5	-44	175.9	-173.4	-174.6	176.5	-161.7	0	111.2	A180 I181 K187 N188 D233	A180-K184 VanDerWaalsContact O-CB 3.29Å; A180-K184 WeakPolarHBondContact O-CB 3.36Å; A180-K184 PolarHBondContact O-N 2.79Å; I181-K184 WeakPolarHBondContact O-CB 3.38Å; I181-K184 PolarHBondContact O-N 3.4Å; K184-K187 PolarHBondContact O-N 2.92Å; K184-N188 VanDerWaalsContact O-CG 3.3Å; K184-N188 PolarHBondContact O-N 3.03Å; K184-N188 PolarHBondContact O-OD1 3.39Å; K184-D233 VanDerWaalsContact CE-OD2 3.31Å; K184-D233 WeakPolarHBondContact CE-OD2 3.16Å; K184-D233 IonicContact NZ-OD1 2.88Å; K184-D233 PolarHBondContact NZ-OD1 3.43Å; K184-D233 IonicContact NZ-OD2 2.57Å; K184-D233 PolarHBondContact NZ-OD2 2.85Å
185	I	88.3	Confident	85.9	Confident	7 Å²	7	89.1 Å²	89.1	4%	0.036	42%	0.42	C	S	.	.	H	α-helix	trans	-63.9	-47.5	178	-61.6	156.9	0	0	0	111	I181 L182 E183 K187 N188 Q189 M209 L212 L230 L235	I181-I185 HydrophobicContact CG2-CD1 3.88Å; I181-I185 WeakPolarHBondContact O-CD1 3.47Å; I181-I185 VanDerWaalsContact O-CG1 3.25Å; I181-I185 WeakPolarHBondContact O-CG1 3.43Å; I181-I185 PolarHBondContact O-N 3.43Å; L182-I185 PolarHBondContact O-N 3.02Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.32Å; I185-K187 PolarHBondContact O-N 2.95Å; I185-N188 PolarHBondContact O-N 2.75Å; I185-Q189 HydrophobicContact CG2-CG 4.25Å; I185-Q189 WeakPolarHBondContact O-CG 3.19Å; I185-Q189 PolarHBondContact O-N 2.99Å; I185-M209 HydrophobicContact CB-CE 4.35Å; I185-M209 HydrophobicContact CB-SD 4.1Å; I185-M209 HydrophobicContact CD1-SD 4.27Å; I185-M209 HydrophobicContact CG2-CE 4.25Å; I185-M209 HydrophobicContact CG2-SD 3.52Å; I185-M209 VanDerWaalsContact CG2-SD 3.52Å; I185-L212 HydrophobicContact CD1-CD2 3.75Å; I185-L230 HydrophobicContact CD1-CD1 3.31Å; I185-L230 HydrophobicContact CG1-CD1 3.73Å; I185-L235 HydrophobicContact CG2-CD1 4.45Å; I185-L235 HydrophobicContact CG2-CD2 4.44Å
186	R	87.4	Confident	85.1	Confident	101 Å²	101	87.6 Å²	87.6	38%	0.381	43%	0.431	S	S	.	.	H	α-helix	trans	-57.1	-41.3	177.9	-71.2	-177	-159.6	169.1	10	111.2	D171 L182 E183 R190 M209	D171-R186 IonicContact OD1-NH2 2.88Å; D171-R186 IonicContact OD2-NH2 3.58Å; D171-R186 PolarHBondContact OD2-NH2 3.44Å; L182-R186 WeakPolarHBondContact O-CG 3.29Å; L182-R186 PolarHBondContact O-N 3.46Å; E183-R186 PolarHBondContact O-N 3.45Å; R186-R190 PolarHBondContact O-N 3.46Å; R186-R190 VanDerWaalsContact O-N 3.08Å; R186-M209 HydrophobicContact CG-CE 3.67Å
187	K	86.7	Confident	84.2	Confident	144 Å²	144	81.7 Å²	81.7	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-66.2	-45.3	177.6	-172.2	179.1	178.5	-179.2	0	112.1	E183 K184 I185 R190 Q191	E183-K187 PolarHBondContact O-N 3.03Å; K184-K187 PolarHBondContact O-N 2.92Å; I185-K187 PolarHBondContact O-N 2.95Å; K187-R190 PolarHBondContact O-N 2.78Å; K187-Q191 PolarHBondContact O-N 3.09Å
188	N	85.3	Confident	83.4	Confident	48 Å²	48	77.3 Å²	77.3	26%	0.257	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-48.1	177.5	-73.2	0.7	0	0	0	110.9	K184 I185 R190 Q191 D192	K184-N188 VanDerWaalsContact O-CG 3.3Å; K184-N188 PolarHBondContact O-N 3.03Å; K184-N188 PolarHBondContact O-OD1 3.39Å; I185-N188 PolarHBondContact O-N 2.75Å; N188-R190 VanDerWaalsContact C-N 3.35Å; N188-R190 PolarHBondContact O-N 2.85Å; N188-Q191 CarbonylContact O-C 3.57Å; N188-Q191 WeakPolarHBondContact O-CA 3.17Å; N188-Q191 WeakPolarHBondContact O-CB 3.45Å; N188-Q191 PolarHBondContact O-N 2.8Å; N188-D192 VanDerWaalsContact O-CG 3.28Å; N188-D192 PolarHBondContact O-N 2.87Å
189	Q	82.4	Confident	82.3	Confident	43 Å²	43	80 Å²	80	20%	0.201	42%	0.42	C	S	.	.	H	α-helix	trans	-56	-47.7	176.3	-74.3	178.8	-36	0	0	111.8	I185 Q191 D192 H193	I185-Q189 HydrophobicContact CG2-CG 4.25Å; I185-Q189 WeakPolarHBondContact O-CG 3.19Å; I185-Q189 PolarHBondContact O-N 2.99Å; Q189-Q191 VanDerWaalsContact C-N 3.25Å; Q189-Q191 PolarHBondContact O-N 2.84Å; Q189-D192 PolarHBondContact O-N 3.31Å; Q189-H193 WeakPolarHBondContact O-CB 3.42Å; Q189-H193 PolarHBondContact O-CD2 2.86Å; Q189-H193 PolarHBondContact O-N 2.89Å
190	R	82.6	Confident	81.8	Confident	185 Å²	185	79 Å²	79	70%	0.698	42%	0.42	S	S	*	.	H	α-helix	trans	-58	-40.6	176.2	-177	178.5	178.4	177.4	1.7	111.8	R186 K187 N188 L194	R186-R190 PolarHBondContact O-N 3.46Å; R186-R190 VanDerWaalsContact O-N 3.08Å; K187-R190 PolarHBondContact O-N 2.78Å; N188-R190 VanDerWaalsContact C-N 3.35Å; N188-R190 PolarHBondContact O-N 2.85Å; R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.44Å; R190-L194 PolarHBondContact O-N 2.92Å; R190-L194 VanDerWaalsContact O-N 3.1Å
191	Q	81.3	Confident	81.6	Confident	102 Å²	102	78.2 Å²	78.2	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-69.6	-39.7	178.9	-173.6	141.9	30.9	0	0	112.2	K187 N188 Q189 H193 L194 N195	K187-Q191 PolarHBondContact O-N 3.09Å; N188-Q191 CarbonylContact O-C 3.57Å; N188-Q191 WeakPolarHBondContact O-CA 3.17Å; N188-Q191 WeakPolarHBondContact O-CB 3.45Å; N188-Q191 PolarHBondContact O-N 2.8Å; Q189-Q191 VanDerWaalsContact C-N 3.25Å; Q189-Q191 PolarHBondContact O-N 2.84Å; Q191-H193 VanDerWaalsContact C-N 3.34Å; Q191-L194 PolarHBondContact O-N 2.89Å; Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 PolarHBondContact O-N 3.37Å; Q191-N195 PolarHBondContact O-ND2 3.48Å
192	D	80.7	Confident	81.5	Confident	57 Å²	57	79 Å²	79	31%	0.305	42%	0.42	S	S	.	.	H	α-helix	trans	-66.8	-37.8	176.7	-64.2	-25.4	0	0	0	111.5	N188 Q189 N195 G196 A197	N188-D192 VanDerWaalsContact O-CG 3.28Å; N188-D192 PolarHBondContact O-N 2.87Å; Q189-D192 PolarHBondContact O-N 3.31Å; D192-N195 CarbonylContact O-C 3.57Å; D192-N195 PolarHBondContact O-N 2.75Å; D192-G196 PolarHBondContact O-N 2.79Å; D192-A197 PolarHBondContact O-N 3.01Å
193	H	78.9	Confident	81.5	Confident	101 Å²	101	85.6 Å²	85.6	47%	0.468	45%	0.451	S	S	.	.	H	α-helix	trans	-59.5	-44.5	170.2	-87.3	-82	0	0	0	112.4	Q189 Q191 N195 G196 V198	Q189-H193 WeakPolarHBondContact O-CB 3.42Å; Q189-H193 PolarHBondContact O-CD2 2.86Å; Q189-H193 PolarHBondContact O-N 2.89Å; Q191-H193 VanDerWaalsContact C-N 3.34Å; H193-N195 VanDerWaalsContact C-N 3.3Å; H193-N195 PolarHBondContact O-N 3.28Å; H193-G196 PolarHBondContact O-N 3.45Å; H193-V198 HydrophobicContact CB-CG2 4.26Å
194	L	77.7	Confident	81.6	Confident	134 Å²	134	79.3 Å²	79.3	70%	0.702	42%	0.421	S	S	*	.	H	α-helix	trans	-66.6	-32.2	176.3	-72.8	165.4	0	0	0	112.6	R190 Q191	R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.44Å; R190-L194 PolarHBondContact O-N 2.92Å; R190-L194 VanDerWaalsContact O-N 3.1Å; Q191-L194 PolarHBondContact O-N 2.89Å
195	N	77.5	Confident	81.7	Confident	107 Å²	107	75.2 Å²	75.2	57%	0.572	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.6	-178.5	-66.4	-22.3	0	0	0	113.6	Q191 D192 H193 A197	Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 PolarHBondContact O-N 3.37Å; Q191-N195 PolarHBondContact O-ND2 3.48Å; D192-N195 CarbonylContact O-C 3.57Å; D192-N195 PolarHBondContact O-N 2.75Å; H193-N195 VanDerWaalsContact C-N 3.3Å; H193-N195 PolarHBondContact O-N 3.28Å; N195-A197 HydrophobicContact CB-CB 4.5Å; N195-A197 PolarHBondContact O-N 3.4Å
196	G	70.9	Confident	81.8	Confident	67 Å²	67	79.8 Å²	79.8	69%	0.691	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	14.5	-175.3	0	0	0	0	0	114.5	D192 H193	D192-G196 PolarHBondContact O-N 2.79Å; H193-G196 PolarHBondContact O-N 3.45Å
197	A	70.9	Confident	82.2	Confident	63 Å²	63	77.2 Å²	77.2	52%	0.521	42%	0.419	S	S	.	.			trans	-99.5	31.5	-176.5	0	0	0	0	0	112.3	D192 N195 S199	D192-A197 PolarHBondContact O-N 3.01Å; N195-A197 HydrophobicContact CB-CB 4.5Å; N195-A197 PolarHBondContact O-N 3.4Å; A197-S199 PolarHBondContact O-N 2.86Å
198	V	71.2	Confident	82.7	Confident	62 Å²	62	70.3 Å²	70.3	38%	0.376	39%	0.39	S	S	.	.			trans	-64.4	117.8	-172.4	-176.4	0	0	0	0	110.3	H193	H193-V198 HydrophobicContact CB-CG2 4.26Å
199	S	66.5	Low	83.1	Confident	65 Å²	65	68.4 Å²	68.4	46%	0.455	38%	0.379	S	S	.	.			trans	-87.1	122.2	169.8	61	0	0	0	0	110.6	A197 Y236	A197-S199 PolarHBondContact O-N 2.86Å; S199-Y236 VanDerWaalsContact O-CE2 3.22Å; S199-Y236 WeakPolarHBondContact O-CE2 3.33Å
200	G	80.2	Confident	83.7	Confident	24 Å²	24	72 Å²	72	25%	0.247	39%	0.394	C	S	.	.	S	Bend	trans	76.7	-166.4	174.1	0	0	0	0	0	115.8	Y236 D275	G200-Y236 WeakPolarHBondContact CA-OH 3.43Å; G200-D275 VanDerWaalsContact CA-OD1 3.25Å; G200-D275 WeakPolarHBondContact CA-OD1 3.39Å
201	S	86.1	Confident	84.4	Confident	38 Å²	38	63.3 Å²	63.3	27%	0.266	36%	0.361	S	S	.	.			trans	-98.7	150	-176.8	78.9	0	0	0	0	111.7	Q203 A204 S205 Y236 D275	S201-Q203 PolarHBondContact O-N 2.95Å; S201-A204 PolarHBondContact O-N 3.42Å; S201-A204 VanDerWaalsContact OG-CB 3.26Å; S201-A204 WeakPolarHBondContact OG-CB 3.3Å; S201-A204 PolarHBondContact OG-N 3.08Å; S201-A204 VanDerWaalsContact OG-N 3.08Å; S201-S205 WeakPolarHBondContact O-CB 3.39Å; S201-S205 PolarHBondContact O-N 3.01Å; S201-S205 PolarHBondContact O-OG 2.73Å; S201-Y236 PolarHBondContact N-OH 3.42Å; S201-Y236 PolarHBondContact O-OH 3.13Å; S201-Y236 VanDerWaalsContact O-OH 3.12Å; S201-D275 WeakPolarHBondContact CB-O 3.48Å; S201-D275 PolarHBondContact OG-O 3.4Å
202	V	86.9	Confident	85.1	Confident	83 Å²	83	58.5 Å²	58.5	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-56.2	-42.1	175.9	177.8	0	0	0	0	110.7	A204 S205 D206	V202-A204 PolarHBondContact O-N 3.25Å; V202-S205 PolarHBondContact O-N 3.32Å; V202-D206 WeakPolarHBondContact O-CB 3.46Å; V202-D206 VanDerWaalsContact O-CG 3.28Å; V202-D206 PolarHBondContact O-N 2.89Å
203	Q	89.3	Confident	85.8	Confident	139 Å²	139	57.5 Å²	57.5	65%	0.65	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-44	179.2	-65.1	-179.7	-16.7	0	0	112.6	S201 R207	S201-Q203 PolarHBondContact O-N 2.95Å; Q203-R207 WeakPolarHBondContact O-CB 3.49Å; Q203-R207 PolarHBondContact O-N 3.39Å; Q203-R207 VanDerWaalsContact O-N 3.08Å
204	A	92.4	Very high	86.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-46.1	176.9	0	0	0	0	0	110.9	S201 V202 D206 R207 L208 Y236 D275 F277	S201-A204 PolarHBondContact O-N 3.42Å; S201-A204 VanDerWaalsContact OG-CB 3.26Å; S201-A204 WeakPolarHBondContact OG-CB 3.3Å; S201-A204 PolarHBondContact OG-N 3.08Å; S201-A204 VanDerWaalsContact OG-N 3.08Å; V202-A204 PolarHBondContact O-N 3.25Å; A204-D206 PolarHBondContact O-N 2.63Å; A204-R207 PolarHBondContact O-N 3.25Å; A204-L208 WeakPolarHBondContact O-CB 3.36Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.4Å; A204-L208 PolarHBondContact O-N 3.05Å; A204-Y236 HydrophobicContact CB-CE1 4Å; A204-Y236 WeakPolarHBondContact CB-OH 3.36Å; A204-D275 WeakPolarHBondContact CB-O 3.41Å; A204-F277 VanDerWaalsContact CA-O 3.3Å; A204-F277 WeakPolarHBondContact CA-O 3.37Å; A204-F277 HydrophobicContact CB-CB 4.33Å; A204-F277 VanDerWaalsContact CB-O 3.26Å; A204-F277 WeakPolarHBondContact CB-O 3.43Å
205	S	92.7	Very high	87.5	Confident	10 Å²	10	49.3 Å²	49.3	7%	0.07	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-47	177	-70.3	0	0	0	0	112.2	S201 V202 R207 L208 M209 L235 Y236	S201-S205 WeakPolarHBondContact O-CB 3.39Å; S201-S205 PolarHBondContact O-N 3.01Å; S201-S205 PolarHBondContact O-OG 2.73Å; V202-S205 PolarHBondContact O-N 3.32Å; S205-R207 PolarHBondContact O-N 3.45Å; S205-L208 PolarHBondContact O-N 2.67Å; S205-M209 WeakPolarHBondContact O-CB 3.36Å; S205-M209 WeakPolarHBondContact O-CG 3.45Å; S205-M209 PolarHBondContact O-N 3.11Å; S205-L235 WeakPolarHBondContact O-CD2 3.42Å; S205-Y236 PolarHBondContact N-OH 2.95Å; S205-Y236 PolarHBondContact OG-OH 3.48Å
206	D	91.2	Very high	88.4	Confident	103 Å²	103	44.4 Å²	44.4	55%	0.551	26%	0.263	S	S	*	.	H	α-helix	trans	-63	-43.4	178.1	-74.7	-17.7	0	0	0	111.6	V202 A204 M209 K210	V202-D206 WeakPolarHBondContact O-CB 3.46Å; V202-D206 VanDerWaalsContact O-CG 3.28Å; V202-D206 PolarHBondContact O-N 2.89Å; A204-D206 PolarHBondContact O-N 2.63Å; D206-M209 PolarHBondContact O-N 2.65Å; D206-K210 PolarHBondContact O-N 3.34Å
207	R	95.4	Very high	89.5	Confident	46 Å²	46	44.8 Å²	44.8	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-44.3	176.9	178.7	59.5	-174.8	-83.6	-4.9	111.5	Q203 A204 S205 K210 E211 F277 P278 S314 Y316	Q203-R207 WeakPolarHBondContact O-CB 3.49Å; Q203-R207 PolarHBondContact O-N 3.39Å; Q203-R207 VanDerWaalsContact O-N 3.08Å; A204-R207 PolarHBondContact O-N 3.25Å; S205-R207 PolarHBondContact O-N 3.45Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.14Å; R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 IonicContact CZ-OE1 3.9Å; R207-E211 IonicContact NE-OE1 3.37Å; R207-E211 PolarHBondContact NE-OE1 3.22Å; R207-E211 IonicContact NH2-OE1 3.94Å; R207-E211 PolarHBondContact NH2-OE1 2.88Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.06Å; R207-F277 HydrophobicContact CB-CD1 4.43Å; R207-F277 HydrophobicContact CB-CE1 4.22Å; R207-F277 HydrophobicContact CG-CD1 4.1Å; R207-F277 HydrophobicContact CG-CE1 3.53Å; R207-F277 HydrophobicContact CG-CZ 4.29Å; R207-P278 HydrophobicContact CG-CB 4.02Å; R207-P278 HydrophobicContact CG-CG 3.97Å; R207-P278 VanDerWaalsContact NH1-CG 3.26Å; R207-S314 VanDerWaalsContact CZ-O 3.3Å; R207-S314 PolarHBondContact NH1-O 3.37Å; R207-S314 PolarHBondContact NH2-O 3.2Å; R207-Y316 PolarHBondContact NH2-O 2.94Å; R207-Y316 VanDerWaalsContact NH2-O 3.09Å
208	L	96.5	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-40.8	178.8	-72.8	165.5	0	0	0	111.9	A204 S205 K210 E211 L212 L235 Y236 W238 Y273 F277	A204-L208 WeakPolarHBondContact O-CB 3.36Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.4Å; A204-L208 PolarHBondContact O-N 3.05Å; S205-L208 PolarHBondContact O-N 2.67Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 2.83Å; L208-E211 PolarHBondContact O-N 3.09Å; L208-L212 WeakPolarHBondContact O-CB 3.46Å; L208-L212 PolarHBondContact O-N 3.29Å; L208-L235 HydrophobicContact CB-CD1 4.01Å; L208-L235 HydrophobicContact CB-CD2 3.8Å; L208-L235 HydrophobicContact CB-CG 3.68Å; L208-L235 HydrophobicContact CD1-CG 4.2Å; L208-Y236 HydrophobicContact CD1-CD1 3.91Å; L208-Y236 HydrophobicContact CD1-CE1 3.82Å; L208-Y236 HydrophobicContact CD1-CE2 4.48Å; L208-Y236 HydrophobicContact CD1-CG 4.29Å; L208-W238 HydrophobicContact CB-CZ2 4.29Å; L208-W238 HydrophobicContact CD2-CH2 4.37Å; L208-W238 HydrophobicContact CD2-CZ2 3.89Å; L208-Y273 HydrophobicContact CD1-CG 4.29Å; L208-Y273 HydrophobicContact CD2-CD1 3.5Å; L208-Y273 HydrophobicContact CD2-CD2 3.77Å; L208-Y273 HydrophobicContact CD2-CE1 3.65Å; L208-Y273 HydrophobicContact CD2-CE2 3.93Å; L208-Y273 HydrophobicContact CD2-CG 3.55Å; L208-F277 HydrophobicContact CD1-CD1 4.36Å; L208-F277 HydrophobicContact CD2-CD1 3.7Å; L208-F277 HydrophobicContact CD2-CE1 3.45Å; L208-F277 VanDerWaalsContact CD2-CE1 3.45Å; L208-F277 HydrophobicContact CD2-CG 4.5Å; L208-F277 HydrophobicContact CD2-CZ 4.14Å; L208-F277 HydrophobicContact CG-CD1 3.7Å; L208-F277 HydrophobicContact CG-CE1 3.75Å
209	M	94.3	Very high	91.7	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-41.4	173.2	-78	-61.7	-78.4	0	0	111.7	L182 I185 R186 S205 D206 R213 L235	L182-M209 HydrophobicContact CD2-CE 4.05Å; L182-M209 HydrophobicContact CD2-SD 4.45Å; I185-M209 HydrophobicContact CB-CE 4.35Å; I185-M209 HydrophobicContact CB-SD 4.1Å; I185-M209 HydrophobicContact CD1-SD 4.27Å; I185-M209 HydrophobicContact CG2-CE 4.25Å; I185-M209 HydrophobicContact CG2-SD 3.52Å; I185-M209 VanDerWaalsContact CG2-SD 3.52Å; R186-M209 HydrophobicContact CG-CE 3.67Å; S205-M209 WeakPolarHBondContact O-CB 3.36Å; S205-M209 WeakPolarHBondContact O-CG 3.45Å; S205-M209 PolarHBondContact O-N 3.11Å; D206-M209 PolarHBondContact O-N 2.65Å; M209-R213 WeakPolarHBondContact O-CG 3.36Å; M209-R213 PolarHBondContact O-N 3.4Å; M209-R213 VanDerWaalsContact O-N 3.09Å; M209-L235 HydrophobicContact CG-CD2 3.69Å; M209-L235 HydrophobicContact SD-CD1 4.06Å; M209-L235 HydrophobicContact SD-CD2 4.02Å
210	K	95.3	Very high	93	Very high	117 Å²	117	43.1 Å²	43.1	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-47.3	175.8	-179.3	-178.1	169.2	-175.5	0	111.9	D206 R207 L208 L212 R213 E214	D206-K210 PolarHBondContact O-N 3.34Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.14Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 2.83Å; K210-L212 VanDerWaalsContact C-N 3.35Å; K210-L212 PolarHBondContact O-N 3.06Å; K210-R213 PolarHBondContact O-N 3.13Å; K210-E214 WeakPolarHBondContact CE-OE1 3.32Å; K210-E214 IonicContact NZ-OE1 3.99Å; K210-E214 WeakPolarHBondContact O-CG 3.27Å; K210-E214 PolarHBondContact O-N 3.35Å
211	E	97.5	Very high	93.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-43.6	178.2	-69.4	-67.2	158.7	0	0	111.8	R207 L208 R213 E214 I215 W238 S317 I318	R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 IonicContact CZ-OE1 3.9Å; R207-E211 IonicContact NE-OE1 3.37Å; R207-E211 PolarHBondContact NE-OE1 3.22Å; R207-E211 IonicContact NH2-OE1 3.94Å; R207-E211 PolarHBondContact NH2-OE1 2.88Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.06Å; L208-E211 PolarHBondContact O-N 3.09Å; E211-R213 PolarHBondContact O-N 3.17Å; E211-E214 PolarHBondContact O-N 2.72Å; E211-I215 WeakPolarHBondContact O-CG1 3.15Å; E211-I215 PolarHBondContact O-N 3.38Å; E211-W238 HydrophobicContact CB-CH2 4.25Å; E211-S317 WeakPolarHBondContact OE2-CA 3.43Å; E211-I318 HydrophobicContact CB-CB 4.34Å; E211-I318 HydrophobicContact CB-CG1 3.96Å; E211-I318 HydrophobicContact CG-CG1 3.8Å; E211-I318 PolarHBondContact OE2-N 3.03Å
212	L	95.9	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-41.2	178.2	-170.2	62.4	0	0	0	111.8	L182 I185 L208 K210 I215 Y216 V228 L230 L235 W238	L182-L212 HydrophobicContact CD2-CB 4.49Å; L182-L212 HydrophobicContact CD2-CD2 3.98Å; L182-L212 HydrophobicContact CD2-CG 4.23Å; I185-L212 HydrophobicContact CD1-CD2 3.75Å; L208-L212 WeakPolarHBondContact O-CB 3.46Å; L208-L212 PolarHBondContact O-N 3.29Å; K210-L212 VanDerWaalsContact C-N 3.35Å; K210-L212 PolarHBondContact O-N 3.06Å; L212-I215 PolarHBondContact O-N 3.42Å; L212-Y216 HydrophobicContact CD1-CE1 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 4.04Å; L212-Y216 HydrophobicContact CD2-CE2 4.09Å; L212-Y216 HydrophobicContact CG-CD2 4.24Å; L212-Y216 HydrophobicContact CG-CE2 3.66Å; L212-Y216 WeakPolarHBondContact O-CD2 3.21Å; L212-Y216 PolarHBondContact O-N 3.46Å; L212-V228 HydrophobicContact CD1-CG1 4.03Å; L212-L230 HydrophobicContact CD2-CD1 4.37Å; L212-L230 HydrophobicContact CD2-CD2 4.47Å; L212-L235 HydrophobicContact CD2-CD1 4.42Å; L212-W238 HydrophobicContact CB-CH2 4.01Å; L212-W238 HydrophobicContact CB-CZ2 4.25Å; L212-W238 HydrophobicContact CD1-CH2 4.23Å; L212-W238 HydrophobicContact CD1-CZ2 4.48Å; L212-W238 HydrophobicContact CD1-CZ3 4.36Å
213	R	95.1	Very high	94.3	Very high	36 Å²	36	45.9 Å²	45.9	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.2	-73	-176.4	-152.4	176.9	10.9	112.1	E170 I174 L182 M209 K210 E211 Y216 R217	E170-R213 IonicContact OE2-NH1 3.59Å; E170-R213 PolarHBondContact OE2-NH1 3.36Å; I174-R213 HydrophobicContact CD1-CB 4.2Å; I174-R213 HydrophobicContact CD1-CG 4.3Å; L182-R213 HydrophobicContact CD1-CG 3.64Å; L182-R213 HydrophobicContact CD2-CG 3.86Å; L182-R213 HydrophobicContact CG-CG 4.4Å; M209-R213 WeakPolarHBondContact O-CG 3.36Å; M209-R213 PolarHBondContact O-N 3.4Å; M209-R213 VanDerWaalsContact O-N 3.09Å; K210-R213 PolarHBondContact O-N 3.13Å; E211-R213 PolarHBondContact O-N 3.17Å; R213-Y216 PolarHBondContact O-N 3.42Å; R213-R217 WeakPolarHBondContact O-CG 3.45Å; R213-R217 PolarHBondContact O-N 2.95Å; R213-R217 VanDerWaalsContact O-N 3.11Å
214	E	95.4	Very high	94.5	Very high	63 Å²	63	40.6 Å²	40.6	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-43.5	177.7	-74.6	178.1	-175.9	0	0	111.4	K210 E211 Y216 R217 S218	K210-E214 WeakPolarHBondContact CE-OE1 3.32Å; K210-E214 IonicContact NZ-OE1 3.99Å; K210-E214 WeakPolarHBondContact O-CG 3.27Å; K210-E214 PolarHBondContact O-N 3.35Å; E211-E214 PolarHBondContact O-N 2.72Å; E214-Y216 PolarHBondContact O-N 3.25Å; E214-R217 PolarHBondContact O-N 2.66Å; E214-R217 VanDerWaalsContact O-N 3.17Å; E214-S218 PolarHBondContact O-N 2.95Å
215	I	96.4	Very high	94.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-49.8	173	-74.7	166	0	0	0	111	E211 L212 R217 S218 Y221 Y226 V228 W238 I318 E319 I322	E211-I215 WeakPolarHBondContact O-CG1 3.15Å; E211-I215 PolarHBondContact O-N 3.38Å; L212-I215 PolarHBondContact O-N 3.42Å; I215-R217 PolarHBondContact O-N 3.38Å; I215-S218 VanDerWaalsContact O-CB 3.31Å; I215-S218 WeakPolarHBondContact O-CB 3.35Å; I215-S218 PolarHBondContact O-N 3.04Å; I215-S218 PolarHBondContact O-OG 3.39Å; I215-Y221 HydrophobicContact CG2-CD2 3.73Å; I215-Y221 HydrophobicContact CG2-CE2 4.33Å; I215-Y221 HydrophobicContact CG2-CG 4.1Å; I215-Y221 WeakPolarHBondContact O-CB 3.31Å; I215-Y226 HydrophobicContact CG2-CE2 3.76Å; I215-V228 HydrophobicContact CG2-CG2 4.02Å; I215-W238 HydrophobicContact CD1-CH2 4.49Å; I215-W238 HydrophobicContact CD1-CZ3 3.75Å; I215-I318 HydrophobicContact CD1-CB 4.13Å; I215-I318 HydrophobicContact CD1-CG2 3.93Å; I215-E319 HydrophobicContact CG1-CB 4.19Å; I215-I322 HydrophobicContact CD1-CD1 4.25Å
216	Y	95.3	Very high	94.9	Very high	3 Å²	3	42 Å²	42	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-24.3	-178.9	-64.5	-31.8	0	0	0	113.9	I174 N178 L182 L212 R213 E214 Y221 K222	I174-Y216 HydrophobicContact CG2-CD2 4.38Å; N178-Y216 HydrophobicContact CB-CD1 4.07Å; N178-Y216 HydrophobicContact CB-CD2 3.63Å; N178-Y216 HydrophobicContact CB-CE1 4.29Å; N178-Y216 HydrophobicContact CB-CE2 3.85Å; N178-Y216 HydrophobicContact CB-CG 3.74Å; N178-Y216 WeakPolarHBondContact OD1-CE1 3.46Å; L182-Y216 HydrophobicContact CD1-CD2 4.04Å; L182-Y216 HydrophobicContact CD1-CE2 4.4Å; L182-Y216 HydrophobicContact CD2-CD2 4.41Å; L182-Y216 HydrophobicContact CD2-CE2 4.18Å; L182-Y216 HydrophobicContact CG-CD2 4.18Å; L182-Y216 HydrophobicContact CG-CE2 4.04Å; L212-Y216 HydrophobicContact CD1-CE1 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 4.04Å; L212-Y216 HydrophobicContact CD2-CE2 4.09Å; L212-Y216 HydrophobicContact CG-CD2 4.24Å; L212-Y216 HydrophobicContact CG-CE2 3.66Å; L212-Y216 WeakPolarHBondContact O-CD2 3.21Å; L212-Y216 PolarHBondContact O-N 3.46Å; R213-Y216 PolarHBondContact O-N 3.42Å; E214-Y216 PolarHBondContact O-N 3.25Å; Y216-Y221 HydrophobicContact CD1-CD1 4.15Å; Y216-Y221 AromaticContact CD1-CE1 3.59Å; Y216-Y221 HydrophobicContact CD1-CE1 3.59Å; Y216-Y221 AromaticContact CD1-CE2 3.98Å; Y216-Y221 HydrophobicContact CD1-CE2 3.98Å; Y216-Y221 AromaticContact CD1-CZ 3.49Å; Y216-Y221 VanDerWaalsContact CD1-CZ 3.49Å; Y216-Y221 HydrophobicContact CE1-CE1 4.19Å; Y216-Y221 HydrophobicContact CE1-CE2 4.03Å; Y216-Y221 AromaticContact CE1-CZ 3.62Å; Y216-Y221 WeakPolarHBondContact CE1-OH 3.18Å; Y216-K222 WeakPolarHBondContact O-CE 3.29Å
217	R	94.4	Very high	95.1	Very high	76 Å²	76	38.1 Å²	38.1	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-80.8	-24.9	173	-68.2	-171.2	-139.4	100.3	-1.2	112.9	E170 D172 I174 R213 E214 I215 K222	E170-R217 PolarHBondContact O-NE 3.42Å; E170-R217 PolarHBondContact O-NH2 3.44Å; D172-R217 WeakPolarHBondContact O-CD 3.17Å; I174-R217 HydrophobicContact CD1-CG 3.99Å; I174-R217 HydrophobicContact CG1-CG 3.41Å; I174-R217 VanDerWaalsContact CG1-CG 3.41Å; R213-R217 WeakPolarHBondContact O-CG 3.45Å; R213-R217 PolarHBondContact O-N 2.95Å; R213-R217 VanDerWaalsContact O-N 3.11Å; E214-R217 PolarHBondContact O-N 2.66Å; E214-R217 VanDerWaalsContact O-N 3.17Å; I215-R217 PolarHBondContact O-N 3.38Å; R217-K222 WeakPolarHBondContact O-CE 3.39Å; R217-K222 PolarHBondContact O-NZ 3.44Å
218	S	94.8	Very high	95.2	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.07	18%	0.18	C	C	.	.	S	Bend	trans	-62.1	149.9	-173.1	77	0	0	0	0	113.5	E214 I215 S220 Y221 K222 E319	E214-S218 PolarHBondContact O-N 2.95Å; I215-S218 VanDerWaalsContact O-CB 3.31Å; I215-S218 WeakPolarHBondContact O-CB 3.35Å; I215-S218 PolarHBondContact O-N 3.04Å; I215-S218 PolarHBondContact O-OG 3.39Å; S218-S220 PolarHBondContact OG-OG 2.9Å; S218-Y221 WeakPolarHBondContact OG-CB 3.48Å; S218-Y221 PolarHBondContact OG-N 2.85Å; S218-K222 WeakPolarHBondContact O-CD 3.43Å; S218-K222 VanDerWaalsContact O-CG 3.29Å; S218-K222 WeakPolarHBondContact O-CG 3.32Å; S218-K222 PolarHBondContact O-N 2.92Å; S218-E319 VanDerWaalsContact CB-OE1 3.26Å; S218-E319 WeakPolarHBondContact CB-OE1 3.37Å; S218-E319 VanDerWaalsContact CB-OE2 3.25Å; S218-E319 WeakPolarHBondContact CB-OE2 3.43Å
219	Q	93.3	Very high	95.1	Very high	133 Å²	133	40.2 Å²	40.2	62%	0.621	20%	0.199	S	C	*	.	H	α-helix	trans	-73	-31.7	175.8	-67.5	-59	-43.6	0	0	111.8	Y221 K222 T223	Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.37Å; Q219-K222 PolarHBondContact O-N 3.44Å; Q219-T223 WeakPolarHBondContact O-CB 3.4Å; Q219-T223 VanDerWaalsContact O-CG2 3.3Å; Q219-T223 WeakPolarHBondContact O-CG2 3.25Å; Q219-T223 PolarHBondContact O-N 2.93Å; Q219-T223 PolarHBondContact O-OG1 3.04Å
220	S	94	Very high	95.1	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.084	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-41.6	179.5	59.9	0	0	0	0	111.5	S218 T223 I225 Y226 E319	S218-S220 PolarHBondContact OG-OG 2.9Å; S220-T223 PolarHBondContact O-OG1 2.9Å; S220-T223 VanDerWaalsContact O-OG1 3.1Å; S220-I225 WeakPolarHBondContact O-CB 3.36Å; S220-I225 PolarHBondContact O-N 3.45Å; S220-I225 VanDerWaalsContact O-N 3.13Å; S220-Y226 WeakPolarHBondContact OG-CE1 3.33Å; S220-Y226 PolarHBondContact OG-OH 3.46Å; S220-E319 WeakPolarHBondContact CB-OE1 3.31Å; S220-E319 PolarHBondContact OG-OE1 3.21Å
221	Y	95.3	Very high	94.9	Very high	34 Å²	34	37.4 Å²	37.4	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-49.6	171.4	-176.1	-97.9	0	0	0	112.2	N178 I215 Y216 S218 Q219 T223 G224 Y226 V228	N178-Y221 PolarHBondContact OD1-OH 3.29Å; I215-Y221 HydrophobicContact CG2-CD2 3.73Å; I215-Y221 HydrophobicContact CG2-CE2 4.33Å; I215-Y221 HydrophobicContact CG2-CG 4.1Å; I215-Y221 WeakPolarHBondContact O-CB 3.31Å; Y216-Y221 HydrophobicContact CD1-CD1 4.15Å; Y216-Y221 AromaticContact CD1-CE1 3.59Å; Y216-Y221 HydrophobicContact CD1-CE1 3.59Å; Y216-Y221 AromaticContact CD1-CE2 3.98Å; Y216-Y221 HydrophobicContact CD1-CE2 3.98Å; Y216-Y221 AromaticContact CD1-CZ 3.49Å; Y216-Y221 VanDerWaalsContact CD1-CZ 3.49Å; Y216-Y221 HydrophobicContact CE1-CE1 4.19Å; Y216-Y221 HydrophobicContact CE1-CE2 4.03Å; Y216-Y221 AromaticContact CE1-CZ 3.62Å; Y216-Y221 WeakPolarHBondContact CE1-OH 3.18Å; S218-Y221 WeakPolarHBondContact OG-CB 3.48Å; S218-Y221 PolarHBondContact OG-N 2.85Å; Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.37Å; Y221-T223 VanDerWaalsContact C-N 3.29Å; Y221-T223 PolarHBondContact O-N 3.02Å; Y221-G224 WeakPolarHBondContact O-CA 3.26Å; Y221-G224 PolarHBondContact O-N 2.97Å; Y221-Y226 HydrophobicContact CD2-CD2 4.23Å; Y221-Y226 AromaticContact CD2-CE2 3.89Å; Y221-Y226 HydrophobicContact CD2-CE2 3.89Å; Y221-V228 HydrophobicContact CE2-CB 4.49Å; Y221-V228 HydrophobicContact CE2-CG2 4.41Å
222	K	93.4	Very high	94.4	Very high	75 Å²	75	43.9 Å²	43.9	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-31.7	-177.9	-73.9	171	178.4	165.2	0	114.2	G173 Y216 R217 S218 Q219 G224	G173-K222 WeakPolarHBondContact O-CE 3.44Å; G173-K222 PolarHBondContact O-NZ 2.9Å; Y216-K222 WeakPolarHBondContact O-CE 3.29Å; R217-K222 WeakPolarHBondContact O-CE 3.39Å; R217-K222 PolarHBondContact O-NZ 3.44Å; S218-K222 WeakPolarHBondContact O-CD 3.43Å; S218-K222 VanDerWaalsContact O-CG 3.29Å; S218-K222 WeakPolarHBondContact O-CG 3.32Å; S218-K222 PolarHBondContact O-N 2.92Å; Q219-K222 PolarHBondContact O-N 3.44Å; K222-G224 PolarHBondContact O-N 3.33Å
223	T	93	Very high	93.9	Very high	94 Å²	94	47.6 Å²	47.6	58%	0.577	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.3	174.2	51.4	0	0	0	0	112.9	Q219 S220 Y221	Q219-T223 WeakPolarHBondContact O-CB 3.4Å; Q219-T223 VanDerWaalsContact O-CG2 3.3Å; Q219-T223 WeakPolarHBondContact O-CG2 3.25Å; Q219-T223 PolarHBondContact O-N 2.93Å; Q219-T223 PolarHBondContact O-OG1 3.04Å; S220-T223 PolarHBondContact O-OG1 2.9Å; S220-T223 VanDerWaalsContact O-OG1 3.1Å; Y221-T223 VanDerWaalsContact C-N 3.29Å; Y221-T223 PolarHBondContact O-N 3.02Å
224	G	93.5	Very high	93.6	Very high	28 Å²	28	47.5 Å²	47.5	29%	0.289	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	22.2	176.1	0	0	0	0	0	114.1	Y221 K222 Y226	Y221-G224 WeakPolarHBondContact O-CA 3.26Å; Y221-G224 PolarHBondContact O-N 2.97Å; K222-G224 PolarHBondContact O-N 3.33Å; G224-Y226 PolarHBondContact O-N 3.03Å
225	I	95.2	Very high	93.4	Very high	38 Å²	38	45 Å²	45	20%	0.195	24%	0.238	C	C	.	.	S	Bend	trans	-58.8	-41.2	175.5	-63.3	176.3	0	0	0	110	S220 R243 T244 M323	S220-I225 WeakPolarHBondContact O-CB 3.36Å; S220-I225 PolarHBondContact O-N 3.45Å; S220-I225 VanDerWaalsContact O-N 3.13Å; I225-R243 PolarHBondContact O-N 2.86Å; I225-T244 PolarHBondContact O-N 3.37Å; I225-M323 HydrophobicContact CD1-CE 4.18Å; I225-M323 HydrophobicContact CG2-CE 4.32Å; I225-M323 HydrophobicContact CG2-SD 3.98Å
226	Y	97.3	Very high	93.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.2	173.5	63.6	-91.7	0	0	0	110.8	I215 S220 Y221 G224 V228 V240 K241 E319 I322 M323	I215-Y226 HydrophobicContact CG2-CE2 3.76Å; S220-Y226 WeakPolarHBondContact OG-CE1 3.33Å; S220-Y226 PolarHBondContact OG-OH 3.46Å; Y221-Y226 HydrophobicContact CD2-CD2 4.23Å; Y221-Y226 AromaticContact CD2-CE2 3.89Å; Y221-Y226 HydrophobicContact CD2-CE2 3.89Å; G224-Y226 PolarHBondContact O-N 3.03Å; Y226-V228 HydrophobicContact CD2-CG2 3.95Å; Y226-V228 HydrophobicContact CE2-CG2 3.94Å; Y226-V240 HydrophobicContact CD2-CG1 4.23Å; Y226-K241 CarbonylContact C-O 3.54Å; Y226-K241 WeakPolarHBondContact CA-O 3.32Å; Y226-K241 WeakPolarHBondContact CB-O 3.26Å; Y226-E319 WeakPolarHBondContact OH-CG 3.38Å; Y226-I322 HydrophobicContact CD1-CG2 3.7Å; Y226-I322 HydrophobicContact CD2-CD1 4.2Å; Y226-I322 HydrophobicContact CD2-CG2 4.07Å; Y226-I322 HydrophobicContact CE1-CG2 4.06Å; Y226-I322 HydrophobicContact CE2-CD1 3.92Å; Y226-I322 HydrophobicContact CE2-CG2 4.41Å; Y226-I322 HydrophobicContact CG-CG2 3.71Å; Y226-M323 HydrophobicContact CD1-SD 4.14Å; Y226-M323 HydrophobicContact CE1-SD 4.04Å
227	S	96.4	Very high	93.3	Very high	20 Å²	20	48.1 Å²	48.1	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.1	168.5	63.7	0	0	0	0	110.6	V240 K241 R243	S227-V240 CarbonylContact O-C 3.55Å; S227-V240 VanDerWaalsContact O-CA 3.32Å; S227-V240 WeakPolarHBondContact O-CA 3.33Å; S227-K241 PolarHBondContact N-O 3.3Å; S227-K241 PolarHBondContact O-N 2.56Å; S227-R243 PolarHBondContact OG-NE 2.72Å
228	V	96.9	Very high	93.5	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.7	-178.6	-177.1	0	0	0	0	109	L212 I215 Y221 Y226 W238 H239 V240	L212-V228 HydrophobicContact CD1-CG1 4.03Å; I215-V228 HydrophobicContact CG2-CG2 4.02Å; Y221-V228 HydrophobicContact CE2-CB 4.49Å; Y221-V228 HydrophobicContact CE2-CG2 4.41Å; Y226-V228 HydrophobicContact CD2-CG2 3.95Å; Y226-V228 HydrophobicContact CE2-CG2 3.94Å; V228-W238 HydrophobicContact CG1-CB 4.34Å; V228-W238 HydrophobicContact CG1-CD2 4.23Å; V228-W238 HydrophobicContact CG1-CE3 3.91Å; V228-W238 HydrophobicContact CG1-CG 4.44Å; V228-H239 CarbonylContact C-O 3.57Å; V228-H239 WeakPolarHBondContact CA-O 3.3Å; V228-V240 HydrophobicContact CG2-CG2 4.27Å
229	E	95.3	Very high	93.6	Very high	83 Å²	83	46.4 Å²	46.4	39%	0.388	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.2	177.4	-70.9	168.8	-159.6	0	0	108.7	H239 K241	E229-H239 HydrophobicContact CB-CB 4.27Å; E229-H239 PolarHBondContact N-O 3.32Å; E229-H239 PolarHBondContact O-N 2.74Å; E229-K241 IonicContact OE1-NZ 3.63Å; E229-K241 PolarHBondContact OE1-NZ 2.9Å; E229-K241 WeakPolarHBondContact OE2-CE 3.42Å; E229-K241 IonicContact OE2-NZ 3.94Å; E229-K241 PolarHBondContact OE2-NZ 3.21Å
230	L	93.2	Very high	93.9	Very high	30 Å²	30	40 Å²	40	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.6	175.8	-59.5	-173.8	0	0	0	110.1	I185 L212 W238	I185-L230 HydrophobicContact CD1-CD1 3.31Å; I185-L230 HydrophobicContact CG1-CD1 3.73Å; L212-L230 HydrophobicContact CD2-CD1 4.37Å; L212-L230 HydrophobicContact CD2-CD2 4.47Å; L230-W238 HydrophobicContact CD2-CD2 4.18Å; L230-W238 HydrophobicContact CD2-CG 3.78Å; L230-W238 VanDerWaalsContact CD2-NE1 3.32Å
231	V	91.6	Very high	94.1	Very high	36 Å²	36	40.8 Å²	40.8	22%	0.218	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-80.6	122.9	178.5	-175.4	0	0	0	0	108.3	D233 S234 E237 H239	V231-D233 PolarHBondContact O-N 2.88Å; V231-S234 WeakPolarHBondContact O-CB 3.34Å; V231-S234 PolarHBondContact O-N 2.78Å; V231-E237 HydrophobicContact CB-CB 3.95Å; V231-E237 HydrophobicContact CG2-CB 4.36Å; V231-E237 PolarHBondContact N-O 3.25Å; V231-H239 HydrophobicContact CG2-CB 4.25Å; V231-H239 WeakPolarHBondContact CG2-ND1 3.49Å
232	N	86.6	Confident	94.2	Very high	141 Å²	141	39.2 Å²	39.2	75%	0.754	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	54.5	34.7	-179.2	-58	-25.3	0	0	0	113.7	S234	N232-S234 PolarHBondContact O-N 2.88Å
233	D	85.1	Confident	94.2	Very high	78 Å²	78	40.4 Å²	40.4	42%	0.417	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	56.6	15.9	-173.1	-62.3	-45.4	0	0	0	114.2	K184 V231	K184-D233 VanDerWaalsContact CE-OD2 3.31Å; K184-D233 WeakPolarHBondContact CE-OD2 3.16Å; K184-D233 IonicContact NZ-OD1 2.88Å; K184-D233 PolarHBondContact NZ-OD1 3.43Å; K184-D233 IonicContact NZ-OD2 2.57Å; K184-D233 PolarHBondContact NZ-OD2 2.85Å; V231-D233 PolarHBondContact O-N 2.88Å
234	S	88.5	Confident	94.2	Very high	34 Å²	34	39.1 Å²	39.1	24%	0.238	21%	0.207	C	C	.	.			trans	-78.7	127.4	178.9	179.5	0	0	0	0	111	V231 N232 Y236	V231-S234 WeakPolarHBondContact O-CB 3.34Å; V231-S234 PolarHBondContact O-N 2.78Å; N232-S234 PolarHBondContact O-N 2.88Å; S234-Y236 PolarHBondContact O-N 2.79Å; S234-Y236 PolarHBondContact OG-N 2.79Å; S234-Y236 VanDerWaalsContact OG-N 3.14Å
235	L	91.9	Very high	94.3	Very high	9 Å²	9	38 Å²	38	5%	0.047	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.6	172.1	-170.5	61.8	0	0	0	112.5	I185 S205 L208 M209 L212 W238	I185-L235 HydrophobicContact CG2-CD1 4.45Å; I185-L235 HydrophobicContact CG2-CD2 4.44Å; S205-L235 WeakPolarHBondContact O-CD2 3.42Å; L208-L235 HydrophobicContact CB-CD1 4.01Å; L208-L235 HydrophobicContact CB-CD2 3.8Å; L208-L235 HydrophobicContact CB-CG 3.68Å; L208-L235 HydrophobicContact CD1-CG 4.2Å; M209-L235 HydrophobicContact CG-CD2 3.69Å; M209-L235 HydrophobicContact SD-CD1 4.06Å; M209-L235 HydrophobicContact SD-CD2 4.02Å; L212-L235 HydrophobicContact CD2-CD1 4.42Å; L235-W238 HydrophobicContact CD1-CZ2 4.21Å; L235-W238 PolarHBondContact O-NE1 2.67Å
236	Y	94.7	Very high	94.2	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.063	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-5.4	-177	-70.8	-96.1	0	0	0	113.7	S199 G200 S201 A204 S205 L208 S234 Y273	S199-Y236 VanDerWaalsContact O-CE2 3.22Å; S199-Y236 WeakPolarHBondContact O-CE2 3.33Å; G200-Y236 WeakPolarHBondContact CA-OH 3.43Å; S201-Y236 PolarHBondContact N-OH 3.42Å; S201-Y236 PolarHBondContact O-OH 3.13Å; S201-Y236 VanDerWaalsContact O-OH 3.12Å; A204-Y236 HydrophobicContact CB-CE1 4Å; A204-Y236 WeakPolarHBondContact CB-OH 3.36Å; S205-Y236 PolarHBondContact N-OH 2.95Å; S205-Y236 PolarHBondContact OG-OH 3.48Å; L208-Y236 HydrophobicContact CD1-CD1 3.91Å; L208-Y236 HydrophobicContact CD1-CE1 3.82Å; L208-Y236 HydrophobicContact CD1-CE2 4.48Å; L208-Y236 HydrophobicContact CD1-CG 4.29Å; S234-Y236 PolarHBondContact O-N 2.79Å; S234-Y236 PolarHBondContact OG-N 2.79Å; S234-Y236 VanDerWaalsContact OG-N 3.14Å; Y236-Y273 WeakPolarHBondContact O-CD2 3.44Å; Y236-Y273 PolarHBondContact O-N 3.2Å
237	E	95.4	Very high	94	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	110.2	-179.8	-74.8	-64.7	154.1	0	0	111.2	V231 N270 F271 S272	V231-E237 HydrophobicContact CB-CB 3.95Å; V231-E237 HydrophobicContact CG2-CB 4.36Å; V231-E237 PolarHBondContact N-O 3.25Å; E237-N270 PolarHBondContact OE2-ND2 3.03Å; E237-F271 WeakPolarHBondContact CA-O 3.45Å; E237-S272 WeakPolarHBondContact OE1-CA 3.46Å; E237-S272 WeakPolarHBondContact OE1-CB 3.34Å; E237-S272 PolarHBondContact OE1-OG 2.97Å
238	W	97.6	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.8	-176.9	-53.7	0.3	0	0	0	111.1	L208 E211 L212 I215 V228 L230 L235 N270 F271 Y273 I318	L208-W238 HydrophobicContact CB-CZ2 4.29Å; L208-W238 HydrophobicContact CD2-CH2 4.37Å; L208-W238 HydrophobicContact CD2-CZ2 3.89Å; E211-W238 HydrophobicContact CB-CH2 4.25Å; L212-W238 HydrophobicContact CB-CH2 4.01Å; L212-W238 HydrophobicContact CB-CZ2 4.25Å; L212-W238 HydrophobicContact CD1-CH2 4.23Å; L212-W238 HydrophobicContact CD1-CZ2 4.48Å; L212-W238 HydrophobicContact CD1-CZ3 4.36Å; I215-W238 HydrophobicContact CD1-CH2 4.49Å; I215-W238 HydrophobicContact CD1-CZ3 3.75Å; V228-W238 HydrophobicContact CG1-CB 4.34Å; V228-W238 HydrophobicContact CG1-CD2 4.23Å; V228-W238 HydrophobicContact CG1-CE3 3.91Å; V228-W238 HydrophobicContact CG1-CG 4.44Å; L230-W238 HydrophobicContact CD2-CD2 4.18Å; L230-W238 HydrophobicContact CD2-CG 3.78Å; L230-W238 VanDerWaalsContact CD2-NE1 3.32Å; L235-W238 HydrophobicContact CD1-CZ2 4.21Å; L235-W238 PolarHBondContact O-NE1 2.67Å; W238-N270 WeakPolarHBondContact O-CA 3.44Å; W238-N270 PolarHBondContact O-ND2 3.21Å; W238-F271 HydrophobicContact CB-CB 4.23Å; W238-F271 PolarHBondContact N-O 3.16Å; W238-F271 PolarHBondContact O-N 2.95Å; W238-Y273 HydrophobicContact CB-CE2 4.46Å; W238-Y273 AromaticContact CD1-CE2 3.91Å; W238-Y273 AromaticContact CD2-CE2 3.55Å; W238-Y273 HydrophobicContact CD2-CE2 3.55Å; W238-Y273 AromaticContact CE2-CE2 3.62Å; W238-Y273 HydrophobicContact CE3-CE2 4.02Å; W238-Y273 VanDerWaalsContact CE3-OH 3.25Å; W238-Y273 AromaticContact CG-CE2 3.75Å; W238-Y273 HydrophobicContact CG-CE2 3.75Å; W238-Y273 HydrophobicContact CZ2-CE2 4.17Å; W238-Y273 WeakPolarHBondContact CZ3-OH 3.45Å; W238-Y273 AromaticContact NE1-CE2 3.8Å; W238-I318 HydrophobicContact CE3-CG2 4.43Å; W238-I318 HydrophobicContact CZ3-CG2 3.88Å
239	H	97.9	Very high	93.8	Very high	49 Å²	49	50.2 Å²	50.2	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.5	166	-83.4	-3.2	0	0	0	109.3	V228 E229 V231 L268 L269	V228-H239 CarbonylContact C-O 3.57Å; V228-H239 WeakPolarHBondContact CA-O 3.3Å; E229-H239 HydrophobicContact CB-CB 4.27Å; E229-H239 PolarHBondContact N-O 3.32Å; E229-H239 PolarHBondContact O-N 2.74Å; V231-H239 HydrophobicContact CG2-CB 4.25Å; V231-H239 WeakPolarHBondContact CG2-ND1 3.49Å; H239-L268 HydrophobicContact CB-CD1 3.85Å; H239-L269 WeakPolarHBondContact CA-O 3.34Å
240	V	98.3	Very high	93.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.3	177.6	-177.3	0	0	0	0	108.4	Y226 S227 V228 L242 L269 F271 I322	Y226-V240 HydrophobicContact CD2-CG1 4.23Å; S227-V240 CarbonylContact O-C 3.55Å; S227-V240 VanDerWaalsContact O-CA 3.32Å; S227-V240 WeakPolarHBondContact O-CA 3.33Å; V228-V240 HydrophobicContact CG2-CG2 4.27Å; V240-L242 HydrophobicContact CG1-CD2 4.35Å; V240-L269 HydrophobicContact CB-CB 4.3Å; V240-L269 PolarHBondContact N-O 2.94Å; V240-L269 PolarHBondContact O-N 3.42Å; V240-F271 HydrophobicContact CB-CD2 4.15Å; V240-F271 HydrophobicContact CB-CE2 3.94Å; V240-F271 HydrophobicContact CG2-CD2 3.6Å; V240-F271 HydrophobicContact CG2-CE2 3.7Å; V240-F271 HydrophobicContact CG2-CG 4.33Å; V240-F271 HydrophobicContact CG2-CZ 4.48Å; V240-I322 HydrophobicContact CG1-CD1 3.95Å; V240-I322 HydrophobicContact CG1-CG1 4.11Å; V240-I322 HydrophobicContact CG1-CG2 3.93Å; V240-I322 HydrophobicContact CG2-CD1 4.12Å
241	K	98.1	Very high	94	Very high	28 Å²	28	48.2 Å²	48.2	12%	0.122	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.4	177.7	-62.9	173.7	-175.5	161.5	0	108.7	Y226 S227 E229 R243 Y266 I267 L268	Y226-K241 CarbonylContact C-O 3.54Å; Y226-K241 WeakPolarHBondContact CA-O 3.32Å; Y226-K241 WeakPolarHBondContact CB-O 3.26Å; S227-K241 PolarHBondContact N-O 3.3Å; S227-K241 PolarHBondContact O-N 2.56Å; E229-K241 IonicContact OE1-NZ 3.63Å; E229-K241 PolarHBondContact OE1-NZ 2.9Å; E229-K241 WeakPolarHBondContact OE2-CE 3.42Å; E229-K241 IonicContact OE2-NZ 3.94Å; E229-K241 PolarHBondContact OE2-NZ 3.21Å; K241-R243 PolarHBondContact O-N 2.86Å; K241-Y266 HydrophobicContact CB-CD2 3.81Å; K241-Y266 HydrophobicContact CB-CE2 4.45Å; K241-Y266 HydrophobicContact CB-CG 4.09Å; K241-Y266 HydrophobicContact CD-CD2 3.98Å; K241-Y266 HydrophobicContact CD-CE1 4.47Å; K241-Y266 HydrophobicContact CD-CE2 3.8Å; K241-Y266 HydrophobicContact CD-CG 4.39Å; K241-Y266 HydrophobicContact CG-CD2 3.65Å; K241-Y266 HydrophobicContact CG-CE2 3.79Å; K241-Y266 HydrophobicContact CG-CG 4.3Å; K241-I267 CarbonylContact C-O 3.51Å; K241-I267 WeakPolarHBondContact CA-O 3.37Å; K241-L268 HydrophobicContact CG-CD1 3.76Å
242	L	97.6	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.5	171	-57.1	-177	0	0	0	108.9	V240 Y266 I267 L269 I322 N326 L329	V240-L242 HydrophobicContact CG1-CD2 4.35Å; L242-Y266 CarbonylContact O-C 3.52Å; L242-Y266 WeakPolarHBondContact O-CA 3.4Å; L242-Y266 VanDerWaalsContact O-CB 3.25Å; L242-Y266 WeakPolarHBondContact O-CB 3.43Å; L242-I267 HydrophobicContact CB-CB 4.24Å; L242-I267 PolarHBondContact N-O 2.91Å; L242-I267 PolarHBondContact O-N 3.34Å; L242-L269 HydrophobicContact CD1-CD1 3.83Å; L242-L269 HydrophobicContact CD1-CG 4.41Å; L242-L269 HydrophobicContact CD2-CD1 4.34Å; L242-L269 HydrophobicContact CG-CD1 3.97Å; L242-L269 HydrophobicContact CG-CG 4.41Å; L242-I322 HydrophobicContact CD2-CG2 3.77Å; L242-N326 HydrophobicContact CD1-CB 4.13Å; L242-N326 HydrophobicContact CD2-CB 4.4Å; L242-L329 HydrophobicContact CD1-CD1 3.89Å
243	R	94.4	Very high	94.7	Very high	100 Å²	100	45.6 Å²	45.6	38%	0.377	25%	0.249	S	C	.	.			trans	-99.6	-35.8	-176.2	-63.9	179.1	178.7	-83.4	3.6	112.2	I225 S227 K241 D265	I225-R243 PolarHBondContact O-N 2.86Å; S227-R243 PolarHBondContact OG-NE 2.72Å; K241-R243 PolarHBondContact O-N 2.86Å; R243-D265 IonicContact NH1-OD1 3.32Å
244	T	92.9	Very high	95.2	Very high	68 Å²	68	42.4 Å²	42.4	42%	0.417	23%	0.232	S	C	.	.			trans	-115.1	118.3	-179.2	-50.6	0	0	0	0	109.5	I225 N326	I225-T244 PolarHBondContact O-N 3.37Å; T244-N326 PolarHBondContact O-ND2 3.32Å
245	V	94.6	Very high	95.5	Very high	5 Å²	5	41 Å²	41	3%	0.03	22%	0.221	C	C	.	.			trans	-112.5	169.3	168.1	-52.4	0	0	0	0	108.6	P247 L251 H252 L255 N326 V330	V245-P247 VanDerWaalsContact O-N 3.15Å; V245-L251 HydrophobicContact CB-CD2 4.39Å; V245-L251 HydrophobicContact CG1-CD2 4.1Å; V245-L251 HydrophobicContact CG2-CB 4.43Å; V245-L251 HydrophobicContact CG2-CD2 4.37Å; V245-L251 HydrophobicContact CG2-CG 4.25Å; V245-H252 HydrophobicContact CG2-CB 3.76Å; V245-L255 HydrophobicContact CG1-CD1 3.98Å; V245-L255 HydrophobicContact CG2-CD1 4.02Å; V245-N326 WeakPolarHBondContact CG1-OD1 3.33Å; V245-V330 HydrophobicContact CB-CG2 4.23Å
246	D	93.4	Very high	95.7	Very high	75 Å²	75	44.5 Å²	44.5	40%	0.401	24%	0.237	S	C	.	.			trans	-50.3	119.1	178.7	-173.8	-23.4	0	0	0	111.3	D248 S249 H252 V330	D246-D248 PolarHBondContact O-N 3.17Å; D246-D248 PolarHBondContact OD1-N 3.28Å; D246-S249 VanDerWaalsContact O-CB 3.27Å; D246-S249 WeakPolarHBondContact O-CB 3.35Å; D246-S249 PolarHBondContact O-N 3.1Å; D246-S249 PolarHBondContact O-OG 3.07Å; D246-H252 WeakPolarHBondContact O-CB 3.27Å; D246-V330 HydrophobicContact CB-CG1 3.89Å; D246-V330 HydrophobicContact CB-CG2 3.99Å
247	P	93.8	Very high	95.7	Very high	85 Å²	85	46 Å²	46	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.1	-175.7	27	-35.9	0	0	0	113.7	V245 S249	V245-P247 VanDerWaalsContact O-N 3.15Å; P247-S249 VanDerWaalsContact C-N 3.26Å
248	D	94.3	Very high	95.6	Very high	155 Å²	155	43.5 Å²	43.5	83%	0.829	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.1	178.3	-65.5	-32	0	0	0	112.1	D246	D246-D248 PolarHBondContact O-N 3.17Å; D246-D248 PolarHBondContact OD1-N 3.28Å
249	S	95.3	Very high	95.4	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	26%	0.257	C	S	.	.	S	Bend	trans	-79.7	145.3	-179.5	75.1	0	0	0	0	112.8	D246 P247 L251 H252	D246-S249 VanDerWaalsContact O-CB 3.27Å; D246-S249 WeakPolarHBondContact O-CB 3.35Å; D246-S249 PolarHBondContact O-N 3.1Å; D246-S249 PolarHBondContact O-OG 3.07Å; P247-S249 VanDerWaalsContact C-N 3.26Å; S249-L251 PolarHBondContact O-N 3.41Å; S249-H252 WeakPolarHBondContact O-CB 3.3Å; S249-H252 PolarHBondContact O-N 3.41Å; S249-H252 VanDerWaalsContact O-N 3.1Å; S249-H252 PolarHBondContact OG-N 3.02Å
250	P	95.7	Very high	95.2	Very high	71 Å²	71	53.7 Å²	53.7	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-58.6	-27.8	169.4	-25.7	35.2	0	0	0	113.3	H252 S253 D254	P250-H252 VanDerWaalsContact C-N 3.32Å; P250-H252 PolarHBondContact O-N 3.04Å; P250-S253 PolarHBondContact O-N 3.49Å; P250-D254 PolarHBondContact O-N 3.17Å
251	L	96.6	Very high	94.8	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-39.5	176.1	-175.8	62.3	0	0	0	111.6	V245 S249 S253 D254 L255 I267 L291 L329 V330 A334 V336	V245-L251 HydrophobicContact CB-CD2 4.39Å; V245-L251 HydrophobicContact CG1-CD2 4.1Å; V245-L251 HydrophobicContact CG2-CB 4.43Å; V245-L251 HydrophobicContact CG2-CD2 4.37Å; V245-L251 HydrophobicContact CG2-CG 4.25Å; S249-L251 PolarHBondContact O-N 3.41Å; L251-S253 VanDerWaalsContact C-N 3.35Å; L251-S253 PolarHBondContact O-N 3.46Å; L251-D254 PolarHBondContact O-N 2.9Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.77Å; L251-I267 HydrophobicContact CD1-CD1 4.24Å; L251-I267 HydrophobicContact CD2-CD1 3.94Å; L251-I267 HydrophobicContact CG-CD1 4.4Å; L251-L291 HydrophobicContact CD1-CD2 4.17Å; L251-L329 HydrophobicContact CD2-CB 4.21Å; L251-V330 HydrophobicContact CD2-CG2 4.42Å; L251-A334 WeakPolarHBondContact CB-O 3.4Å; L251-A334 HydrophobicContact CD1-CB 4.19Å; L251-A334 HydrophobicContact CD2-CB 4.12Å; L251-V336 HydrophobicContact CD1-CG2 4.31Å
252	H	96.4	Very high	94.4	Very high	50 Å²	50	63.1 Å²	63.1	23%	0.231	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-48.1	176	-178.3	87.9	0	0	0	111.5	V245 D246 S249 P250 D254 L255 Q256	V245-H252 HydrophobicContact CG2-CB 3.76Å; D246-H252 WeakPolarHBondContact O-CB 3.27Å; S249-H252 WeakPolarHBondContact O-CB 3.3Å; S249-H252 PolarHBondContact O-N 3.41Å; S249-H252 VanDerWaalsContact O-N 3.1Å; S249-H252 PolarHBondContact OG-N 3.02Å; P250-H252 VanDerWaalsContact C-N 3.32Å; P250-H252 PolarHBondContact O-N 3.04Å; H252-D254 VanDerWaalsContact C-N 3.33Å; H252-D254 PolarHBondContact O-N 2.83Å; H252-L255 PolarHBondContact O-N 2.73Å; H252-Q256 PolarHBondContact NE2-NE2 2.94Å; H252-Q256 PolarHBondContact O-N 2.89Å
253	S	96	Very high	93.9	Very high	71 Å²	71	66 Å²	66	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-41.6	177.9	-64.9	0	0	0	0	111.7	P250 L251 L255 Q256 V257	P250-S253 PolarHBondContact O-N 3.49Å; L251-S253 VanDerWaalsContact C-N 3.35Å; L251-S253 PolarHBondContact O-N 3.46Å; S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact O-N 2.93Å; S253-Q256 PolarHBondContact O-N 2.98Å; S253-V257 PolarHBondContact O-N 3.47Å; S253-V257 VanDerWaalsContact O-N 3.14Å
254	D	96.1	Very high	93.7	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.064	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-38.9	176.5	-71.9	-9	0	0	0	112.1	P250 L251 H252 V257 L258 R335 V336 F338	P250-D254 PolarHBondContact O-N 3.17Å; L251-D254 PolarHBondContact O-N 2.9Å; H252-D254 VanDerWaalsContact C-N 3.33Å; H252-D254 PolarHBondContact O-N 2.83Å; D254-V257 PolarHBondContact O-N 3.27Å; D254-L258 WeakPolarHBondContact O-CB 3.31Å; D254-L258 PolarHBondContact O-N 3.26Å; D254-R335 IonicContact OD1-CZ 3.63Å; D254-R335 IonicContact OD1-NE 3.6Å; D254-R335 IonicContact OD1-NH2 2.8Å; D254-R335 PolarHBondContact OD1-NH2 3.18Å; D254-R335 WeakPolarHBondContact OD2-CA 3.27Å; D254-R335 IonicContact OD2-CZ 3.49Å; D254-R335 IonicContact OD2-NE 2.76Å; D254-R335 PolarHBondContact OD2-NE 3.35Å; D254-R335 IonicContact OD2-NH2 3.39Å; D254-R335 PolarHBondContact OD2-NH2 3.03Å; D254-V336 HydrophobicContact CB-CB 3.9Å; D254-V336 HydrophobicContact CB-CG2 3.67Å; D254-V336 PolarHBondContact OD2-N 2.75Å; D254-F338 HydrophobicContact CB-CE2 4.32Å; D254-F338 HydrophobicContact CB-CZ 4.21Å; D254-F338 WeakPolarHBondContact O-CZ 3.32Å
255	L	95.3	Very high	93.6	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-33.9	177.1	-69.1	177.1	0	0	0	112.7	V245 L251 H252 S253 L258 K259 I267 V336	V245-L255 HydrophobicContact CG1-CD1 3.98Å; V245-L255 HydrophobicContact CG2-CD1 4.02Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.77Å; H252-L255 PolarHBondContact O-N 2.73Å; S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact O-N 2.93Å; L255-L258 HydrophobicContact CD2-CD2 4.26Å; L255-L258 PolarHBondContact O-N 3.02Å; L255-K259 PolarHBondContact O-N 3.09Å; L255-I267 HydrophobicContact CD1-CD1 4.47Å; L255-I267 HydrophobicContact CD1-CG1 4.37Å; L255-I267 HydrophobicContact CD2-CG1 3.98Å; L255-V336 HydrophobicContact CD2-CG2 4.34Å
256	Q	95.4	Very high	93.7	Very high	82 Å²	82	63.7 Å²	63.7	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-42.4	172.3	-59.3	-54.1	-31.3	0	0	111.3	H252 S253 L258 K259 E260	H252-Q256 PolarHBondContact NE2-NE2 2.94Å; H252-Q256 PolarHBondContact O-N 2.89Å; S253-Q256 PolarHBondContact O-N 2.98Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.17Å; Q256-K259 VanDerWaalsContact O-CB 3.26Å; Q256-K259 WeakPolarHBondContact O-CB 3.3Å; Q256-K259 PolarHBondContact O-N 3.25Å; Q256-E260 WeakPolarHBondContact O-CG 3.47Å; Q256-E260 PolarHBondContact O-N 2.69Å; Q256-E260 VanDerWaalsContact O-N 3.08Å
257	V	94.9	Very high	93.9	Very high	49 Å²	49	60.1 Å²	60.1	30%	0.297	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-37.7	175	175.8	0	0	0	0	111.3	S253 D254 K259 E260 K261 F338	S253-V257 PolarHBondContact O-N 3.47Å; S253-V257 VanDerWaalsContact O-N 3.14Å; D254-V257 PolarHBondContact O-N 3.27Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 3.11Å; V257-E260 PolarHBondContact O-N 3.22Å; V257-K261 HydrophobicContact CG1-CD 4.01Å; V257-K261 HydrophobicContact CG1-CG 4.43Å; V257-K261 WeakPolarHBondContact O-CB 3.4Å; V257-K261 WeakPolarHBondContact O-CG 3.47Å; V257-K261 PolarHBondContact O-N 3.23Å; V257-F338 HydrophobicContact CB-CE1 4.35Å; V257-F338 HydrophobicContact CB-CZ 3.93Å; V257-F338 HydrophobicContact CG1-CE1 3.9Å; V257-F338 HydrophobicContact CG1-CE2 4.5Å; V257-F338 HydrophobicContact CG1-CZ 3.77Å
258	L	93.4	Very high	94.1	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-38	175.1	-170.3	69.4	0	0	0	111.5	D254 L255 Q256 K261 E262 G263 M264 P289 V336 F338	D254-L258 WeakPolarHBondContact O-CB 3.31Å; D254-L258 PolarHBondContact O-N 3.26Å; L255-L258 HydrophobicContact CD2-CD2 4.26Å; L255-L258 PolarHBondContact O-N 3.02Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.17Å; L258-K261 PolarHBondContact O-N 3.14Å; L258-E262 HydrophobicContact CD1-CB 4.32Å; L258-E262 HydrophobicContact CD1-CG 4.19Å; L258-E262 PolarHBondContact O-N 3.04Å; L258-G263 PolarHBondContact O-N 2.97Å; L258-M264 CarbonylContact C-O 3.59Å; L258-M264 WeakPolarHBondContact CB-O 3.45Å; L258-M264 HydrophobicContact CD2-CB 4.33Å; L258-M264 WeakPolarHBondContact CD2-O 3.38Å; L258-M264 HydrophobicContact CG-CB 4.41Å; L258-M264 VanDerWaalsContact CG-O 3.23Å; L258-M264 WeakPolarHBondContact CG-O 3.05Å; L258-P289 HydrophobicContact CD2-CB 3.94Å; L258-P289 HydrophobicContact CD2-CG 3.83Å; L258-V336 HydrophobicContact CD1-CG1 4.41Å; L258-F338 HydrophobicContact CB-CE1 4.25Å; L258-F338 HydrophobicContact CD1-CE1 4.18Å
259	K	93.9	Very high	94.3	Very high	98 Å²	98	49.6 Å²	49.6	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-46.9	174.1	-168.2	179.1	-173.1	142.9	0	111.5	L255 Q256 V257 G263 M264 D265	L255-K259 PolarHBondContact O-N 3.09Å; Q256-K259 VanDerWaalsContact O-CB 3.26Å; Q256-K259 WeakPolarHBondContact O-CB 3.3Å; Q256-K259 PolarHBondContact O-N 3.25Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 3.11Å; K259-G263 WeakPolarHBondContact O-CA 3.41Å; K259-G263 PolarHBondContact O-N 3.43Å; K259-M264 WeakPolarHBondContact CA-O 3.47Å; K259-M264 PolarHBondContact N-O 2.86Å; K259-D265 HydrophobicContact CB-CB 3.84Å; K259-D265 HydrophobicContact CD-CB 3.8Å; K259-D265 WeakPolarHBondContact CE-OD2 3.16Å; K259-D265 HydrophobicContact CG-CB 3.86Å; K259-D265 IonicContact NZ-OD2 2.76Å; K259-D265 PolarHBondContact NZ-OD2 2.57Å
260	E	93.4	Very high	94.4	Very high	164 Å²	164	49.5 Å²	49.5	77%	0.766	26%	0.262	S	S	*	.	H	α-helix	trans	-65.8	-37.4	179.8	-69.6	175.8	178.6	0	0	112.6	Q256 V257	Q256-E260 WeakPolarHBondContact O-CG 3.47Å; Q256-E260 PolarHBondContact O-N 2.69Å; Q256-E260 VanDerWaalsContact O-N 3.08Å; V257-E260 PolarHBondContact O-N 3.22Å
261	K	90.4	Very high	94.5	Very high	143 Å²	143	46.1 Å²	46.1	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-85.9	-42.2	-175.5	-72.4	-177.2	178.4	177.2	0	114.4	V257 L258 F338	V257-K261 HydrophobicContact CG1-CD 4.01Å; V257-K261 HydrophobicContact CG1-CG 4.43Å; V257-K261 WeakPolarHBondContact O-CB 3.4Å; V257-K261 WeakPolarHBondContact O-CG 3.47Å; V257-K261 PolarHBondContact O-N 3.23Å; L258-K261 PolarHBondContact O-N 3.14Å; K261-F338 HydrophobicContact CD-CD1 4.43Å
262	E	87.8	Confident	94.5	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-122.8	-2.5	-169.2	-60.8	-165.9	-160.7	0	0	113.2	L258 M264 K342	L258-E262 HydrophobicContact CD1-CB 4.32Å; L258-E262 HydrophobicContact CD1-CG 4.19Å; L258-E262 PolarHBondContact O-N 3.04Å; E262-M264 PolarHBondContact O-N 3.18Å; E262-K342 WeakPolarHBondContact OE2-CE 3.46Å; E262-K342 IonicContact OE2-NZ 2.71Å; E262-K342 PolarHBondContact OE2-NZ 3.12Å
263	G	88.6	Confident	94.5	Very high	61 Å²	61	45.1 Å²	45.1	63%	0.629	24%	0.238	S	C	*	.	S	Bend	trans	71.6	12.8	-176.5	0	0	0	0	0	114	L258 K259	L258-G263 PolarHBondContact O-N 2.97Å; K259-G263 WeakPolarHBondContact O-CA 3.41Å; K259-G263 PolarHBondContact O-N 3.43Å
264	M	88.6	Confident	94.4	Very high	40 Å²	40	48.8 Å²	48.8	20%	0.197	25%	0.245	C	C	.	.			trans	-114.6	126.6	178.6	-65.9	-157.3	-62.3	0	0	111.2	L258 K259 E262 Y266	L258-M264 CarbonylContact C-O 3.59Å; L258-M264 WeakPolarHBondContact CB-O 3.45Å; L258-M264 HydrophobicContact CD2-CB 4.33Å; L258-M264 WeakPolarHBondContact CD2-O 3.38Å; L258-M264 HydrophobicContact CG-CB 4.41Å; L258-M264 VanDerWaalsContact CG-O 3.23Å; L258-M264 WeakPolarHBondContact CG-O 3.05Å; K259-M264 WeakPolarHBondContact CA-O 3.47Å; K259-M264 PolarHBondContact N-O 2.86Å; E262-M264 PolarHBondContact O-N 3.18Å; M264-Y266 HydrophobicContact CB-CE1 4.43Å; M264-Y266 HydrophobicContact CG-CE1 4.42Å
265	D	92.3	Very high	94.2	Very high	39 Å²	39	53 Å²	53	21%	0.209	27%	0.267	C	S	.	.			trans	-120.8	23.5	-178.3	62.4	-7.2	0	0	0	113.2	R243 K259	R243-D265 IonicContact NH1-OD1 3.32Å; K259-D265 HydrophobicContact CB-CB 3.84Å; K259-D265 HydrophobicContact CD-CB 3.8Å; K259-D265 WeakPolarHBondContact CE-OD2 3.16Å; K259-D265 HydrophobicContact CG-CB 3.86Å; K259-D265 IonicContact NZ-OD2 2.76Å; K259-D265 PolarHBondContact NZ-OD2 2.57Å
266	Y	96.4	Very high	94.1	Very high	45 Å²	45	56.4 Å²	56.4	18%	0.176	29%	0.286	C	S	.	.	S	Bend	trans	-138.7	157.9	-175.1	60.1	-92.1	0	0	0	112.8	K241 L242 M264 L268	K241-Y266 HydrophobicContact CB-CD2 3.81Å; K241-Y266 HydrophobicContact CB-CE2 4.45Å; K241-Y266 HydrophobicContact CB-CG 4.09Å; K241-Y266 HydrophobicContact CD-CD2 3.98Å; K241-Y266 HydrophobicContact CD-CE1 4.47Å; K241-Y266 HydrophobicContact CD-CE2 3.8Å; K241-Y266 HydrophobicContact CD-CG 4.39Å; K241-Y266 HydrophobicContact CG-CD2 3.65Å; K241-Y266 HydrophobicContact CG-CE2 3.79Å; K241-Y266 HydrophobicContact CG-CG 4.3Å; L242-Y266 CarbonylContact O-C 3.52Å; L242-Y266 WeakPolarHBondContact O-CA 3.4Å; L242-Y266 VanDerWaalsContact O-CB 3.25Å; L242-Y266 WeakPolarHBondContact O-CB 3.43Å; M264-Y266 HydrophobicContact CB-CE1 4.43Å; M264-Y266 HydrophobicContact CG-CE1 4.42Å; Y266-L268 HydrophobicContact CD2-CB 4.24Å; Y266-L268 HydrophobicContact CE2-CB 4.06Å
267	I	97.5	Very high	94.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118	167.8	-54.7	170.5	0	0	0	107.5	K241 L242 L251 L255 L269 V286 S288 L291 L329	K241-I267 CarbonylContact C-O 3.51Å; K241-I267 WeakPolarHBondContact CA-O 3.37Å; L242-I267 HydrophobicContact CB-CB 4.24Å; L242-I267 PolarHBondContact N-O 2.91Å; L242-I267 PolarHBondContact O-N 3.34Å; L251-I267 HydrophobicContact CD1-CD1 4.24Å; L251-I267 HydrophobicContact CD2-CD1 3.94Å; L251-I267 HydrophobicContact CG-CD1 4.4Å; L255-I267 HydrophobicContact CD1-CD1 4.47Å; L255-I267 HydrophobicContact CD1-CG1 4.37Å; L255-I267 HydrophobicContact CD2-CG1 3.98Å; I267-L269 HydrophobicContact CG2-CD2 4.13Å; I267-V286 HydrophobicContact CG2-CG1 4.04Å; I267-S288 CarbonylContact C-O 3.54Å; I267-L291 HydrophobicContact CD1-CD1 4.2Å; I267-L291 HydrophobicContact CG2-CD1 4.15Å; I267-L329 HydrophobicContact CD1-CD1 4.04Å
268	L	97.6	Very high	94	Very high	18 Å²	18	51 Å²	51	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.8	176.8	-178	61.9	0	0	0	109.8	H239 K241 Y266 V287 S288	H239-L268 HydrophobicContact CB-CD1 3.85Å; K241-L268 HydrophobicContact CG-CD1 3.76Å; Y266-L268 HydrophobicContact CD2-CB 4.24Å; Y266-L268 HydrophobicContact CE2-CB 4.06Å; L268-V287 HydrophobicContact CB-CB 4.19Å; L268-V287 HydrophobicContact CD2-CB 3.81Å; L268-V287 HydrophobicContact CD2-CG1 3.83Å; L268-V287 HydrophobicContact CD2-CG2 4.27Å; L268-V287 HydrophobicContact CG-CB 3.84Å; L268-V287 HydrophobicContact CG-CG1 4.42Å; L268-V287 HydrophobicContact CG-CG2 4.06Å; L268-V287 PolarHBondContact O-N 3.4Å; L268-S288 PolarHBondContact N-O 3.42Å; L268-S288 PolarHBondContact O-N 3.14Å
269	L	98.3	Very high	94	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.5	170.8	-54	177.9	0	0	0	109.5	H239 V240 L242 I267 F271 V284 R285 V286 I325	H239-L269 WeakPolarHBondContact CA-O 3.34Å; V240-L269 HydrophobicContact CB-CB 4.3Å; V240-L269 PolarHBondContact N-O 2.94Å; V240-L269 PolarHBondContact O-N 3.42Å; L242-L269 HydrophobicContact CD1-CD1 3.83Å; L242-L269 HydrophobicContact CD1-CG 4.41Å; L242-L269 HydrophobicContact CD2-CD1 4.34Å; L242-L269 HydrophobicContact CG-CD1 3.97Å; L242-L269 HydrophobicContact CG-CG 4.41Å; I267-L269 HydrophobicContact CG2-CD2 4.13Å; L269-F271 HydrophobicContact CB-CD2 4.23Å; L269-F271 HydrophobicContact CB-CE2 3.87Å; L269-F271 HydrophobicContact CD1-CE2 4.03Å; L269-V284 HydrophobicContact CB-CG1 4.47Å; L269-R285 CarbonylContact C-O 3.49Å; L269-R285 VanDerWaalsContact CA-O 3.31Å; L269-R285 WeakPolarHBondContact CA-O 3.29Å; L269-V286 HydrophobicContact CD2-CB 4.39Å; L269-V286 HydrophobicContact CD2-CG2 3.84Å; L269-I325 HydrophobicContact CD1-CD1 4.49Å; L269-I325 HydrophobicContact CD1-CG2 3.77Å
270	N	98.2	Very high	94	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.2	168.9	166.8	-129.4	0	0	0	108.8	E237 W238 V284 R285 V287	E237-N270 PolarHBondContact OE2-ND2 3.03Å; W238-N270 WeakPolarHBondContact O-CA 3.44Å; W238-N270 PolarHBondContact O-ND2 3.21Å; N270-V284 WeakPolarHBondContact O-CA 3.45Å; N270-R285 HydrophobicContact CB-CG 4.07Å; N270-R285 PolarHBondContact N-O 3.33Å; N270-R285 PolarHBondContact O-N 2.89Å; N270-R285 VanDerWaalsContact OD1-CZ 3.3Å; N270-R285 PolarHBondContact OD1-NE 2.85Å; N270-R285 PolarHBondContact OD1-NH2 2.74Å; N270-V287 HydrophobicContact CB-CG2 3.55Å
271	F	98.1	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	174.5	-76.5	-119.9	0	0	0	107.7	E237 W238 V240 L269 Y273 P282 V284 I318 V321 I322 I325	E237-F271 WeakPolarHBondContact CA-O 3.45Å; W238-F271 HydrophobicContact CB-CB 4.23Å; W238-F271 PolarHBondContact N-O 3.16Å; W238-F271 PolarHBondContact O-N 2.95Å; V240-F271 HydrophobicContact CB-CD2 4.15Å; V240-F271 HydrophobicContact CB-CE2 3.94Å; V240-F271 HydrophobicContact CG2-CD2 3.6Å; V240-F271 HydrophobicContact CG2-CE2 3.7Å; V240-F271 HydrophobicContact CG2-CG 4.33Å; V240-F271 HydrophobicContact CG2-CZ 4.48Å; L269-F271 HydrophobicContact CB-CD2 4.23Å; L269-F271 HydrophobicContact CB-CE2 3.87Å; L269-F271 HydrophobicContact CD1-CE2 4.03Å; F271-Y273 HydrophobicContact CB-CE2 3.88Å; F271-P282 HydrophobicContact CD1-CB 4.27Å; F271-P282 HydrophobicContact CD1-CG 4.35Å; F271-V284 HydrophobicContact CD1-CG2 3.6Å; F271-V284 HydrophobicContact CD2-CG1 3.83Å; F271-V284 HydrophobicContact CD2-CG2 4.31Å; F271-V284 HydrophobicContact CE1-CG1 4.33Å; F271-V284 HydrophobicContact CE1-CG2 3.62Å; F271-V284 HydrophobicContact CE2-CG1 3.56Å; F271-V284 HydrophobicContact CE2-CG2 4.32Å; F271-V284 HydrophobicContact CG-CG1 4.31Å; F271-V284 HydrophobicContact CG-CG2 3.96Å; F271-V284 HydrophobicContact CZ-CG1 3.83Å; F271-V284 HydrophobicContact CZ-CG2 3.98Å; F271-I318 HydrophobicContact CD1-CG2 4.49Å; F271-I318 HydrophobicContact CE1-CG2 4.3Å; F271-V321 HydrophobicContact CE1-CG1 4.05Å; F271-V321 HydrophobicContact CZ-CG1 4.49Å; F271-I322 HydrophobicContact CE1-CG1 4.15Å; F271-I322 HydrophobicContact CE2-CG1 4.31Å; F271-I322 HydrophobicContact CZ-CG1 3.65Å; F271-I325 HydrophobicContact CE1-CD1 4.46Å; F271-I325 HydrophobicContact CE2-CD1 4.49Å; F271-I325 HydrophobicContact CZ-CD1 3.75Å
272	S	96.8	Very high	94.4	Very high	22 Å²	22	41 Å²	41	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122	177.2	179.1	0	0	0	0	108.8	E237 P282 F283	E237-S272 WeakPolarHBondContact OE1-CA 3.46Å; E237-S272 WeakPolarHBondContact OE1-CB 3.34Å; E237-S272 PolarHBondContact OE1-OG 2.97Å; S272-P282 WeakPolarHBondContact O-CA 3.43Å; S272-F283 PolarHBondContact N-O 2.77Å; S272-F283 PolarHBondContact O-N 3.33Å
273	Y	96	Very high	94.8	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.035	21%	0.205	C	C	.	.			trans	-105.2	147.3	-179.6	-56.2	-86.1	0	0	0	110	L208 Y236 W238 F271 F277 P282 I318	L208-Y273 HydrophobicContact CD1-CG 4.29Å; L208-Y273 HydrophobicContact CD2-CD1 3.5Å; L208-Y273 HydrophobicContact CD2-CD2 3.77Å; L208-Y273 HydrophobicContact CD2-CE1 3.65Å; L208-Y273 HydrophobicContact CD2-CE2 3.93Å; L208-Y273 HydrophobicContact CD2-CG 3.55Å; Y236-Y273 WeakPolarHBondContact O-CD2 3.44Å; Y236-Y273 PolarHBondContact O-N 3.2Å; W238-Y273 HydrophobicContact CB-CE2 4.46Å; W238-Y273 AromaticContact CD1-CE2 3.91Å; W238-Y273 AromaticContact CD2-CE2 3.55Å; W238-Y273 HydrophobicContact CD2-CE2 3.55Å; W238-Y273 AromaticContact CE2-CE2 3.62Å; W238-Y273 HydrophobicContact CE3-CE2 4.02Å; W238-Y273 VanDerWaalsContact CE3-OH 3.25Å; W238-Y273 AromaticContact CG-CE2 3.75Å; W238-Y273 HydrophobicContact CG-CE2 3.75Å; W238-Y273 HydrophobicContact CZ2-CE2 4.17Å; W238-Y273 WeakPolarHBondContact CZ3-OH 3.45Å; W238-Y273 AromaticContact NE1-CE2 3.8Å; F271-Y273 HydrophobicContact CB-CE2 3.88Å; Y273-F277 HydrophobicContact CD1-CD1 4.37Å; Y273-F277 AromaticContact CD1-CD2 3.76Å; Y273-F277 HydrophobicContact CD1-CD2 3.76Å; Y273-F277 HydrophobicContact CD1-CE1 4.43Å; Y273-F277 AromaticContact CD1-CE2 3.89Å; Y273-F277 HydrophobicContact CD1-CE2 3.89Å; Y273-F277 HydrophobicContact CD1-CG 4.03Å; Y273-F277 HydrophobicContact CD1-CZ 4.23Å; Y273-F277 HydrophobicContact CE1-CD2 4.31Å; Y273-F277 AromaticContact CE1-CE2 3.96Å; Y273-F277 HydrophobicContact CE1-CE2 3.96Å; Y273-F277 HydrophobicContact CE1-CZ 4.11Å; Y273-P282 HydrophobicContact CD1-CB 3.73Å; Y273-P282 HydrophobicContact CE1-CB 3.58Å; Y273-P282 HydrophobicContact CE1-CG 4.18Å; Y273-I318 HydrophobicContact CE1-CD1 3.92Å; Y273-I318 HydrophobicContact CE1-CG1 4.41Å; Y273-I318 WeakPolarHBondContact OH-CG2 3.34Å
274	K	93.3	Very high	95.3	Very high	147 Å²	147	35.7 Å²	35.7	64%	0.639	18%	0.176	S	C	*	.			trans	-112.7	168	175	-66.7	-172.2	175.3	-171.5	0	110.7	N276 F277	K274-N276 PolarHBondContact O-N 3.24Å; K274-F277 WeakPolarHBondContact O-CB 3.48Å; K274-F277 PolarHBondContact O-N 2.83Å
275	D	91.3	Very high	95.7	Very high	100 Å²	100	35.4 Å²	35.4	54%	0.535	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.8	-177.4	-53.4	0.7	0	0	0	114	G200 S201 A204 F277	G200-D275 VanDerWaalsContact CA-OD1 3.25Å; G200-D275 WeakPolarHBondContact CA-OD1 3.39Å; S201-D275 WeakPolarHBondContact CB-O 3.48Å; S201-D275 PolarHBondContact OG-O 3.4Å; A204-D275 WeakPolarHBondContact CB-O 3.41Å; D275-F277 VanDerWaalsContact C-N 3.35Å
276	N	93.1	Very high	95.9	Very high	77 Å²	77	33.5 Å²	33.5	41%	0.412	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5	178.8	-162.2	40.7	0	0	0	113.3	K274 F279 D280	K274-N276 PolarHBondContact O-N 3.24Å; N276-F279 WeakPolarHBondContact O-CA 3.31Å; N276-F279 VanDerWaalsContact O-CB 3.31Å; N276-F279 WeakPolarHBondContact O-CB 3.47Å; N276-F279 PolarHBondContact O-N 3.03Å; N276-D280 WeakPolarHBondContact CB-OD2 3.48Å; N276-D280 PolarHBondContact ND2-OD2 2.84Å; N276-D280 PolarHBondContact O-N 2.85Å
277	F	95.3	Very high	95.9	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	136.6	169.4	-179.4	-99.3	0	0	0	109.4	A204 R207 L208 Y273 K274 D275 W312 I318	A204-F277 VanDerWaalsContact CA-O 3.3Å; A204-F277 WeakPolarHBondContact CA-O 3.37Å; A204-F277 HydrophobicContact CB-CB 4.33Å; A204-F277 VanDerWaalsContact CB-O 3.26Å; A204-F277 WeakPolarHBondContact CB-O 3.43Å; R207-F277 HydrophobicContact CB-CD1 4.43Å; R207-F277 HydrophobicContact CB-CE1 4.22Å; R207-F277 HydrophobicContact CG-CD1 4.1Å; R207-F277 HydrophobicContact CG-CE1 3.53Å; R207-F277 HydrophobicContact CG-CZ 4.29Å; L208-F277 HydrophobicContact CD1-CD1 4.36Å; L208-F277 HydrophobicContact CD2-CD1 3.7Å; L208-F277 HydrophobicContact CD2-CE1 3.45Å; L208-F277 VanDerWaalsContact CD2-CE1 3.45Å; L208-F277 HydrophobicContact CD2-CG 4.5Å; L208-F277 HydrophobicContact CD2-CZ 4.14Å; L208-F277 HydrophobicContact CG-CD1 3.7Å; L208-F277 HydrophobicContact CG-CE1 3.75Å; Y273-F277 HydrophobicContact CD1-CD1 4.37Å; Y273-F277 AromaticContact CD1-CD2 3.76Å; Y273-F277 HydrophobicContact CD1-CD2 3.76Å; Y273-F277 HydrophobicContact CD1-CE1 4.43Å; Y273-F277 AromaticContact CD1-CE2 3.89Å; Y273-F277 HydrophobicContact CD1-CE2 3.89Å; Y273-F277 HydrophobicContact CD1-CG 4.03Å; Y273-F277 HydrophobicContact CD1-CZ 4.23Å; Y273-F277 HydrophobicContact CE1-CD2 4.31Å; Y273-F277 AromaticContact CE1-CE2 3.96Å; Y273-F277 HydrophobicContact CE1-CE2 3.96Å; Y273-F277 HydrophobicContact CE1-CZ 4.11Å; K274-F277 WeakPolarHBondContact O-CB 3.48Å; K274-F277 PolarHBondContact O-N 2.83Å; D275-F277 VanDerWaalsContact C-N 3.35Å; F277-W312 HydrophobicContact CD2-CZ2 4.48Å; F277-W312 HydrophobicContact CE2-CH2 4.26Å; F277-W312 AromaticContact CE2-CZ2 3.88Å; F277-W312 HydrophobicContact CE2-CZ2 3.88Å; F277-I318 HydrophobicContact CE2-CD1 4Å; F277-I318 HydrophobicContact CZ-CD1 3.86Å; F277-I318 HydrophobicContact CZ-CG1 4.2Å
278	P	94.6	Very high	95.8	Very high	15 Å²	15	34.6 Å²	34.6	10%	0.097	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	10.6	10.3	38.3	-38.3	0	0	0	115.7	R207 W312 S314	R207-P278 HydrophobicContact CG-CB 4.02Å; R207-P278 HydrophobicContact CG-CG 3.97Å; R207-P278 VanDerWaalsContact NH1-CG 3.26Å; P278-W312 PolarHBondContact O-NE1 3.43Å; P278-S314 WeakPolarHBondContact O-CA 3.47Å; P278-S314 WeakPolarHBondContact O-CB 3.33Å
279	F	93.3	Very high	95.7	Very high	127 Å²	127	34.4 Å²	34.4	56%	0.557	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-38.9	-179.7	-55.9	-70.7	0	0	0	112.1	N276	N276-F279 WeakPolarHBondContact O-CA 3.31Å; N276-F279 VanDerWaalsContact O-CB 3.31Å; N276-F279 WeakPolarHBondContact O-CB 3.47Å; N276-F279 PolarHBondContact O-N 3.03Å
280	D	93.3	Very high	95.5	Very high	46 Å²	46	35 Å²	35	25%	0.246	18%	0.178	C	C	.	.	S	Bend	trans	-93.4	146	167.9	-74.8	-44.9	0	0	0	111.2	N276	N276-D280 WeakPolarHBondContact CB-OD2 3.48Å; N276-D280 PolarHBondContact ND2-OD2 2.84Å; N276-D280 PolarHBondContact O-N 2.85Å
281	P	95.7	Very high	95.4	Very high	21 Å²	21	34.9 Å²	34.9	14%	0.136	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-66.4	154.4	175.4	25.4	-31.9	0	0	0	112	W312	P281-W312 HydrophobicContact CB-CB 3.86Å; P281-W312 HydrophobicContact CB-CD2 3.59Å; P281-W312 HydrophobicContact CB-CE3 3.89Å; P281-W312 HydrophobicContact CB-CG 3.57Å; P281-W312 HydrophobicContact CG-CB 4.05Å; P281-W312 HydrophobicContact CG-CG 4.1Å
282	P	96.8	Very high	95.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.013	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-63.6	143.3	164.9	28.1	-32.9	0	0	0	110.5	F271 S272 Y273 V284 L307 W312 I318	F271-P282 HydrophobicContact CD1-CB 4.27Å; F271-P282 HydrophobicContact CD1-CG 4.35Å; S272-P282 WeakPolarHBondContact O-CA 3.43Å; Y273-P282 HydrophobicContact CD1-CB 3.73Å; Y273-P282 HydrophobicContact CE1-CB 3.58Å; Y273-P282 HydrophobicContact CE1-CG 4.18Å; P282-V284 HydrophobicContact CB-CG2 4.19Å; P282-V284 HydrophobicContact CG-CG2 4.13Å; P282-V284 PolarHBondContact O-N 2.82Å; P282-L307 HydrophobicContact CG-CD2 4.49Å; P282-W312 HydrophobicContact CG-CH2 4.42Å; P282-I318 HydrophobicContact CG-CD1 4.4Å
283	F	96.6	Very high	95.1	Very high	29 Å²	29	38 Å²	38	13%	0.127	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.8	166.8	178.5	-103.1	0	0	0	109	S272 R285 L347 A350 Q351 Y354	S272-F283 PolarHBondContact N-O 2.77Å; S272-F283 PolarHBondContact O-N 3.33Å; F283-R285 HydrophobicContact CE1-CB 4.29Å; F283-R285 HydrophobicContact CE1-CG 4.32Å; F283-L347 HydrophobicContact CD1-CD1 4.17Å; F283-L347 HydrophobicContact CE1-CD1 3.59Å; F283-A350 HydrophobicContact CE1-CB 4.39Å; F283-A350 HydrophobicContact CZ-CB 3.83Å; F283-Q351 HydrophobicContact CE1-CG 4.01Å; F283-Q351 HydrophobicContact CE2-CG 4.25Å; F283-Q351 HydrophobicContact CZ-CB 4.47Å; F283-Q351 HydrophobicContact CZ-CG 3.74Å; F283-Y354 HydrophobicContact CD2-CG 4.32Å; F283-Y354 HydrophobicContact CE2-CD1 4.44Å; F283-Y354 HydrophobicContact CE2-CD2 4.37Å; F283-Y354 AromaticContact CE2-CG 3.97Å; F283-Y354 HydrophobicContact CE2-CG 3.97Å
284	V	97.8	Very high	94.9	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.9	-177.2	-169.3	0	0	0	0	110.9	L269 N270 F271 P282 L302 L307 I325	L269-V284 HydrophobicContact CB-CG1 4.47Å; N270-V284 WeakPolarHBondContact O-CA 3.45Å; F271-V284 HydrophobicContact CD1-CG2 3.6Å; F271-V284 HydrophobicContact CD2-CG1 3.83Å; F271-V284 HydrophobicContact CD2-CG2 4.31Å; F271-V284 HydrophobicContact CE1-CG1 4.33Å; F271-V284 HydrophobicContact CE1-CG2 3.62Å; F271-V284 HydrophobicContact CE2-CG1 3.56Å; F271-V284 HydrophobicContact CE2-CG2 4.32Å; F271-V284 HydrophobicContact CG-CG1 4.31Å; F271-V284 HydrophobicContact CG-CG2 3.96Å; F271-V284 HydrophobicContact CZ-CG1 3.83Å; F271-V284 HydrophobicContact CZ-CG2 3.98Å; P282-V284 HydrophobicContact CB-CG2 4.19Å; P282-V284 HydrophobicContact CG-CG2 4.13Å; P282-V284 PolarHBondContact O-N 2.82Å; V284-L302 HydrophobicContact CB-CD1 4.33Å; V284-L302 HydrophobicContact CG1-CD1 3.88Å; V284-L307 HydrophobicContact CB-CD1 3.94Å; V284-L307 HydrophobicContact CG2-CD1 4.2Å; V284-L307 HydrophobicContact CG2-CD2 3.91Å; V284-I325 HydrophobicContact CG1-CD1 3.93Å
285	R	97	Very high	94.9	Very high	33 Å²	33	35.2 Å²	35.2	13%	0.125	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.2	176	65	177.4	179.9	95.3	4.2	112.3	L269 N270 F283 G300 A350	L269-R285 CarbonylContact C-O 3.49Å; L269-R285 VanDerWaalsContact CA-O 3.31Å; L269-R285 WeakPolarHBondContact CA-O 3.29Å; N270-R285 HydrophobicContact CB-CG 4.07Å; N270-R285 PolarHBondContact N-O 3.33Å; N270-R285 PolarHBondContact O-N 2.89Å; N270-R285 VanDerWaalsContact OD1-CZ 3.3Å; N270-R285 PolarHBondContact OD1-NE 2.85Å; N270-R285 PolarHBondContact OD1-NH2 2.74Å; F283-R285 HydrophobicContact CE1-CB 4.29Å; F283-R285 HydrophobicContact CE1-CG 4.32Å; R285-G300 CarbonylContact C-O 3.1Å; R285-G300 VanDerWaalsContact CA-O 3.28Å; R285-G300 WeakPolarHBondContact CA-O 3.25Å; R285-G300 WeakPolarHBondContact CB-O 3.45Å; R285-A350 HydrophobicContact CB-CB 4.05Å
286	V	97.7	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126	166.6	-172.2	0	0	0	0	108.9	I267 L269 L291 V296 G300 L302 Y345	I267-V286 HydrophobicContact CG2-CG1 4.04Å; L269-V286 HydrophobicContact CD2-CB 4.39Å; L269-V286 HydrophobicContact CD2-CG2 3.84Å; V286-L291 HydrophobicContact CG1-CD1 4.24Å; V286-L291 HydrophobicContact CG2-CD1 4.49Å; V286-V296 HydrophobicContact CB-CG1 4.38Å; V286-V296 HydrophobicContact CG2-CG1 3.88Å; V286-V296 HydrophobicContact CG2-CG2 4.17Å; V286-G300 PolarHBondContact N-O 2.91Å; V286-L302 HydrophobicContact CG2-CD2 3.78Å; V286-L302 HydrophobicContact CG2-CG 4.48Å; V286-Y345 HydrophobicContact CB-CD2 4.2Å; V286-Y345 HydrophobicContact CB-CE2 3.89Å; V286-Y345 HydrophobicContact CG1-CD2 4.09Å; V286-Y345 HydrophobicContact CG1-CE2 3.73Å; V286-Y345 WeakPolarHBondContact O-CD2 3.49Å
287	V	96.3	Very high	95.1	Very high	41 Å²	41	30.3 Å²	30.3	25%	0.248	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-47.2	173.9	-174.1	0	0	0	0	109.9	L268 N270	L268-V287 HydrophobicContact CB-CB 4.19Å; L268-V287 HydrophobicContact CD2-CB 3.81Å; L268-V287 HydrophobicContact CD2-CG1 3.83Å; L268-V287 HydrophobicContact CD2-CG2 4.27Å; L268-V287 HydrophobicContact CG-CB 3.84Å; L268-V287 HydrophobicContact CG-CG1 4.42Å; L268-V287 HydrophobicContact CG-CG2 4.06Å; L268-V287 PolarHBondContact O-N 3.4Å; N270-V287 HydrophobicContact CB-CG2 3.55Å
288	S	94.8	Very high	94.8	Very high	27 Å²	27	32.3 Å²	32.3	19%	0.189	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	155.2	179.4	57.8	0	0	0	0	111	I267 L268	I267-S288 CarbonylContact C-O 3.54Å; L268-S288 PolarHBondContact N-O 3.42Å; L268-S288 PolarHBondContact O-N 3.14Å
289	P	95.4	Very high	94.6	Very high	13 Å²	13	31.7 Å²	31.7	8%	0.084	19%	0.185	C	C	.	.	S	Bend	cis	-72.8	176.6	-10.7	34.5	-38.3	0	0	0	111.9	L258 L291 V336 Y345	L258-P289 HydrophobicContact CD2-CB 3.94Å; L258-P289 HydrophobicContact CD2-CG 3.83Å; P289-L291 HydrophobicContact CG-CD2 3.99Å; P289-L291 PolarHBondContact O-N 3.4Å; P289-V336 HydrophobicContact CB-CG1 4Å; P289-V336 HydrophobicContact CG-CG1 4.1Å; P289-V336 HydrophobicContact CG-CG2 3.96Å; P289-Y345 WeakPolarHBondContact O-CE2 3.44Å
290	V	95.2	Very high	94.7	Very high	12 Å²	12	25.6 Å²	25.6	7%	0.073	16%	0.158	C	C	.	.			trans	-70.7	129.4	169.5	-178.4	0	0	0	0	108.7	Q337 A340 Y345	V290-Q337 HydrophobicContact CB-CB 4.37Å; V290-Q337 HydrophobicContact CG1-CB 4.12Å; V290-Q337 HydrophobicContact CG1-CG 4.41Å; V290-Q337 PolarHBondContact O-N 3.39Å; V290-A340 HydrophobicContact CB-CB 3.76Å; V290-A340 HydrophobicContact CG1-CB 3.78Å; V290-A340 HydrophobicContact CG2-CB 3.99Å; V290-Y345 HydrophobicContact CB-CE2 4.39Å; V290-Y345 HydrophobicContact CG1-CE1 4.01Å; V290-Y345 HydrophobicContact CG1-CE2 4.47Å; V290-Y345 HydrophobicContact CG2-CD2 4.4Å; V290-Y345 HydrophobicContact CG2-CE2 4.44Å; V290-Y345 HydrophobicContact CG2-CG 4.47Å
291	L	95.6	Very high	94.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.8	-175.8	-62	176.4	0	0	0	110.3	L251 I267 V286 P289 V296 L329 R335 V336 Q337 Y345	L251-L291 HydrophobicContact CD1-CD2 4.17Å; I267-L291 HydrophobicContact CD1-CD1 4.2Å; I267-L291 HydrophobicContact CG2-CD1 4.15Å; V286-L291 HydrophobicContact CG1-CD1 4.24Å; V286-L291 HydrophobicContact CG2-CD1 4.49Å; P289-L291 HydrophobicContact CG-CD2 3.99Å; P289-L291 PolarHBondContact O-N 3.4Å; L291-V296 HydrophobicContact CB-CB 4.46Å; L291-V296 HydrophobicContact CB-CG2 4.17Å; L291-V296 HydrophobicContact CD1-CG2 4.12Å; L291-L329 HydrophobicContact CD1-CD2 4.12Å; L291-R335 CarbonylContact C-O 3.54Å; L291-R335 VanDerWaalsContact CA-O 3.27Å; L291-R335 WeakPolarHBondContact CA-O 3.22Å; L291-V336 HydrophobicContact CD2-CG2 3.96Å; L291-Q337 PolarHBondContact O-NE2 3.08Å; L291-Y345 PolarHBondContact N-OH 2.92Å; L291-Y345 PolarHBondContact O-OH 3.37Å; L291-Y345 VanDerWaalsContact O-OH 3.1Å
292	S	94.9	Very high	94.7	Very high	47 Å²	47	22.6 Å²	22.6	33%	0.329	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.1	165.6	53.5	0	0	0	0	109.2	A334 R335	S292-A334 CarbonylContact O-C 3.52Å; S292-A334 WeakPolarHBondContact O-CA 3.44Å; S292-R335 PolarHBondContact N-O 2.87Å; S292-R335 PolarHBondContact O-N 2.7Å; S292-R335 PolarHBondContact OG-O 3.01Å
293	G	93.3	Very high	94.5	Very high	42 Å²	42	23.6 Å²	23.6	43%	0.433	15%	0.148	S	C	.	.	S	Bend	trans	77.9	-157.5	-172.9	0	0	0	0	0	111.6	Y295 V296	G293-Y295 PolarHBondContact O-N 2.99Å; G293-Y295 VanDerWaalsContact O-N 3.14Å; G293-V296 PolarHBondContact O-N 2.94Å
294	G	92.3	Very high	94.3	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	15.1	177.3	0	0	0	0	0	114.9	V296 G332	G294-V296 PolarHBondContact O-N 3.35Å; G294-G332 PolarHBondContact N-O 3.01Å
295	Y	93.7	Very high	93.9	Very high	94 Å²	94	26.4 Å²	26.4	37%	0.369	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	24.1	-169.2	-54.1	-88.8	0	0	0	113.6	G293 C303 T328	G293-Y295 PolarHBondContact O-N 2.99Å; G293-Y295 VanDerWaalsContact O-N 3.14Å; Y295-C303 WeakPolarHBondContact CB-O 3.26Å; Y295-C303 WeakPolarHBondContact O-CB 3.47Å; Y295-C303 PolarHBondContact O-N 2.79Å; Y295-T328 HydrophobicContact CD2-CG2 3.64Å; Y295-T328 HydrophobicContact CE2-CG2 4.21Å; Y295-T328 HydrophobicContact CG-CG2 4.42Å
296	V	95.1	Very high	93.8	Very high	19 Å²	19	25.5 Å²	25.5	12%	0.115	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-86	121.1	174.2	-169.8	0	0	0	0	109.1	V286 L291 G293 G294 L302 L329 Y345	V286-V296 HydrophobicContact CB-CG1 4.38Å; V286-V296 HydrophobicContact CG2-CG1 3.88Å; V286-V296 HydrophobicContact CG2-CG2 4.17Å; L291-V296 HydrophobicContact CB-CB 4.46Å; L291-V296 HydrophobicContact CB-CG2 4.17Å; L291-V296 HydrophobicContact CD1-CG2 4.12Å; G293-V296 PolarHBondContact O-N 2.94Å; G294-V296 PolarHBondContact O-N 3.35Å; V296-L302 HydrophobicContact CG2-CD2 3.89Å; V296-L329 HydrophobicContact CG2-CD2 3.58Å; V296-Y345 HydrophobicContact CG1-CE2 4.45Å; V296-Y345 VanDerWaalsContact CG1-OH 3.31Å; V296-Y345 WeakPolarHBondContact CG1-OH 3.23Å
297	L	92.7	Very high	93.6	Very high	56 Å²	56	25.7 Å²	25.7	29%	0.293	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-89.5	171.7	-179.8	-58.2	179.1	0	0	0	111.9	G299 G300 A301 C303 L357	L297-G299 PolarHBondContact O-N 3.26Å; L297-G300 PolarHBondContact O-N 2.96Å; L297-A301 HydrophobicContact CB-CB 4.29Å; L297-A301 PolarHBondContact N-O 3.06Å; L297-C303 HydrophobicContact CD1-CB 3.95Å; L297-C303 HydrophobicContact CD2-CB 4.01Å; L297-C303 HydrophobicContact CG-CB 3.9Å; L297-L357 HydrophobicContact CD1-CB 4.12Å; L297-L357 HydrophobicContact CD1-CD1 3.53Å; L297-L357 HydrophobicContact CD1-CG 4.46Å
298	G	89.6	Confident	93.3	Very high	44 Å²	44	23.8 Å²	23.8	45%	0.454	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-52.6	138.6	172.1	0	0	0	0	0	111.9	G300 S353	G298-G300 PolarHBondContact O-N 3.46Å; G298-S353 WeakPolarHBondContact O-CB 3.43Å; G298-S353 PolarHBondContact O-OG 3.27Å
299	G	90.1	Very high	93	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	80.3	-8.7	-176.5	0	0	0	0	0	115.3	L297 Y345 N346	L297-G299 PolarHBondContact O-N 3.26Å; G299-Y345 VanDerWaalsContact C-CD1 3.49Å; G299-Y345 WeakPolarHBondContact O-CA 3.43Å; G299-N346 PolarHBondContact O-N 3.22Å
300	G	94.3	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	98.9	7	177.4	0	0	0	0	0	114.5	R285 V286 L297 G298	R285-G300 CarbonylContact C-O 3.1Å; R285-G300 VanDerWaalsContact CA-O 3.28Å; R285-G300 WeakPolarHBondContact CA-O 3.25Å; R285-G300 WeakPolarHBondContact CB-O 3.45Å; V286-G300 PolarHBondContact N-O 2.91Å; L297-G300 PolarHBondContact O-N 2.96Å; G298-G300 PolarHBondContact O-N 3.46Å
301	A	95.1	Very high	92.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-66.6	149.8	174.8	0	0	0	0	0	112	L297 A350	L297-A301 HydrophobicContact CB-CB 4.29Å; L297-A301 PolarHBondContact N-O 3.06Å; A301-A350 HydrophobicContact CB-CB 4.1Å; A301-A350 VanDerWaalsContact CB-O 3.31Å; A301-A350 WeakPolarHBondContact CB-O 3.42Å
302	L	95.2	Very high	92.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-99.8	128.1	176.9	-64.6	178.3	0	0	0	110.8	V284 V286 V296 M304 L307 I325	V284-L302 HydrophobicContact CB-CD1 4.33Å; V284-L302 HydrophobicContact CG1-CD1 3.88Å; V286-L302 HydrophobicContact CG2-CD2 3.78Å; V286-L302 HydrophobicContact CG2-CG 4.48Å; V296-L302 HydrophobicContact CG2-CD2 3.89Å; L302-M304 HydrophobicContact CB-CG 4.36Å; L302-M304 HydrophobicContact CB-SD 4.29Å; L302-M304 HydrophobicContact CD1-SD 4.29Å; L302-M304 PolarHBondContact O-N 3.09Å; L302-L307 HydrophobicContact CB-CD1 4.01Å; L302-L307 HydrophobicContact CD1-CD1 4.23Å; L302-I325 HydrophobicContact CD1-CD1 4.08Å; L302-I325 HydrophobicContact CD1-CG1 4.08Å; L302-I325 HydrophobicContact CD1-CG2 3.78Å
303	C	92.7	Very high	92.2	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.149	20%	0.195	C	C	.	.			trans	-89.1	82.9	173.9	179.1	0	0	0	0	110.5	Y295 L297 L357	Y295-C303 WeakPolarHBondContact CB-O 3.26Å; Y295-C303 WeakPolarHBondContact O-CB 3.47Å; Y295-C303 PolarHBondContact O-N 2.79Å; L297-C303 HydrophobicContact CD1-CB 3.95Å; L297-C303 HydrophobicContact CD2-CB 4.01Å; L297-C303 HydrophobicContact CG-CB 3.9Å; C303-L357 HydrophobicContact CB-CD1 3.37Å; C303-L357 WeakPolarHBondContact SG-CD1 3.3Å
304	M	92.1	Very high	92.2	Very high	10 Å²	10	35 Å²	35	5%	0.049	19%	0.191	C	C	.	.			trans	-136.3	128.9	-177.4	-64.2	178.5	72.1	0	0	110.6	L302 L306 L307 Q324 I325 T328	L302-M304 HydrophobicContact CB-CG 4.36Å; L302-M304 HydrophobicContact CB-SD 4.29Å; L302-M304 HydrophobicContact CD1-SD 4.29Å; L302-M304 PolarHBondContact O-N 3.09Å; M304-L306 VanDerWaalsContact C-N 3.3Å; M304-L306 HydrophobicContact CB-CD2 4Å; M304-L306 HydrophobicContact CE-CD2 3.56Å; M304-L306 PolarHBondContact O-N 2.92Å; M304-L307 HydrophobicContact CB-CD1 4.22Å; M304-L307 HydrophobicContact CB-CG 4.27Å; M304-L307 PolarHBondContact O-N 3.06Å; M304-L307 HydrophobicContact SD-CD1 4.4Å; M304-Q324 HydrophobicContact CE-CG 4.21Å; M304-I325 HydrophobicContact CE-CB 4.41Å; M304-I325 HydrophobicContact CE-CG1 3.86Å; M304-I325 HydrophobicContact SD-CB 4.35Å; M304-I325 HydrophobicContact SD-CG1 3.68Å; M304-T328 HydrophobicContact CE-CG2 3.92Å; M304-T328 WeakPolarHBondContact CE-OG1 3.21Å; M304-T328 HydrophobicContact CG-CG2 4.2Å; M304-T328 HydrophobicContact SD-CG2 4.16Å
305	E	89.7	Confident	92.3	Very high	84 Å²	84	39 Å²	39	39%	0.393	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-56.9	-42.7	-177.3	-178.2	169	-160.9	0	0	112.1	L307 T308 G311 W366	E305-L307 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact O-N 3.08Å; E305-T308 PolarHBondContact O-N 3.28Å; E305-T308 PolarHBondContact O-OG1 3.46Å; E305-G311 VanDerWaalsContact O-CA 3.31Å; E305-G311 WeakPolarHBondContact O-CA 3.33Å; E305-W366 HydrophobicContact CB-CD2 3.61Å; E305-W366 HydrophobicContact CB-CE3 3.72Å; E305-W366 HydrophobicContact CB-CG 4.06Å; E305-W366 HydrophobicContact CB-CH2 4.33Å; E305-W366 HydrophobicContact CB-CZ2 4.24Å; E305-W366 HydrophobicContact CB-CZ3 4.08Å; E305-W366 HydrophobicContact CG-CB 4.41Å; E305-W366 HydrophobicContact CG-CD2 3.82Å; E305-W366 HydrophobicContact CG-CE3 4.42Å; E305-W366 HydrophobicContact CG-CG 3.76Å
306	L	93.7	Very high	92.4	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62	-18.8	179	71.2	135.2	0	0	0	114.2	M304 T308 W312 Y316 V321 Q324	M304-L306 VanDerWaalsContact C-N 3.3Å; M304-L306 HydrophobicContact CB-CD2 4Å; M304-L306 HydrophobicContact CE-CD2 3.56Å; M304-L306 PolarHBondContact O-N 2.92Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-W312 WeakPolarHBondContact O-CA 3.23Å; L306-W312 WeakPolarHBondContact O-CB 3.4Å; L306-W312 VanDerWaalsContact O-CE3 3.3Å; L306-Y316 HydrophobicContact CB-CE2 4.29Å; L306-V321 HydrophobicContact CD1-CB 4.34Å; L306-V321 HydrophobicContact CD1-CG1 3.99Å; L306-V321 HydrophobicContact CD1-CG2 4.02Å; L306-Q324 VanDerWaalsContact CD1-OE1 3.3Å; L306-Q324 VanDerWaalsContact CD2-CD 3.48Å; L306-Q324 HydrophobicContact CD2-CG 4.09Å; L306-Q324 VanDerWaalsContact CD2-OE1 3.29Å
307	L	93.9	Very high	92.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-93.5	9.4	177.4	-61.4	178.8	0	0	0	112.1	P282 V284 L302 M304 E305 V321 Y354	P282-L307 HydrophobicContact CG-CD2 4.49Å; V284-L307 HydrophobicContact CB-CD1 3.94Å; V284-L307 HydrophobicContact CG2-CD1 4.2Å; V284-L307 HydrophobicContact CG2-CD2 3.91Å; L302-L307 HydrophobicContact CB-CD1 4.01Å; L302-L307 HydrophobicContact CD1-CD1 4.23Å; M304-L307 HydrophobicContact CB-CD1 4.22Å; M304-L307 HydrophobicContact CB-CG 4.27Å; M304-L307 PolarHBondContact O-N 3.06Å; M304-L307 HydrophobicContact SD-CD1 4.4Å; E305-L307 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact O-N 3.08Å; L307-V321 HydrophobicContact CD2-CG1 4.07Å; L307-Y354 WeakPolarHBondContact O-CE2 3.4Å; L307-Y354 PolarHBondContact O-OH 3.42Å
308	T	91	Very high	92.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.213	C	C	.	.	S	Bend	trans	-110.4	157.3	174.9	67.4	0	0	0	0	111.1	E305 L306 Q310 G311 W312 Y354 L357 V358 W366	E305-T308 PolarHBondContact O-N 3.28Å; E305-T308 PolarHBondContact O-OG1 3.46Å; L306-T308 VanDerWaalsContact C-N 3.3Å; T308-Q310 PolarHBondContact O-N 2.85Å; T308-Q310 VanDerWaalsContact O-N 3.09Å; T308-G311 PolarHBondContact O-N 3.32Å; T308-G311 VanDerWaalsContact O-N 3.14Å; T308-W312 WeakPolarHBondContact O-CB 3.39Å; T308-W312 PolarHBondContact O-N 2.93Å; T308-Y354 HydrophobicContact CG2-CE2 4.38Å; T308-L357 HydrophobicContact CG2-CD2 3.74Å; T308-V358 HydrophobicContact CG2-CG2 4.2Å; T308-W366 HydrophobicContact CG2-CH2 4.2Å; T308-W366 HydrophobicContact CG2-CZ2 3.51Å
309	K	87	Confident	93.1	Very high	146 Å²	146	37.2 Å²	37.2	64%	0.635	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.9	180	-69.6	-174.3	172.1	-172.6	0	113
310	Q	85.3	Confident	93.5	Very high	99 Å²	99	39.1 Å²	39.1	46%	0.463	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-36.7	-178.5	-64.2	76.6	14.5	0	0	112.6	T308 E362	T308-Q310 PolarHBondContact O-N 2.85Å; T308-Q310 VanDerWaalsContact O-N 3.09Å; Q310-E362 PolarHBondContact NE2-OE1 3.26Å
311	G	89.1	Confident	93.6	Very high	16 Å²	16	39.1 Å²	39.1	17%	0.165	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-14.6	-177.7	0	0	0	0	0	115	E305 T308 Y316	E305-G311 VanDerWaalsContact O-CA 3.31Å; E305-G311 WeakPolarHBondContact O-CA 3.33Å; T308-G311 PolarHBondContact O-N 3.32Å; T308-G311 VanDerWaalsContact O-N 3.14Å; G311-Y316 WeakPolarHBondContact O-CE2 3.49Å
312	W	95.1	Very high	93.7	Very high	24 Å²	24	39.1 Å²	39.1	9%	0.091	22%	0.217	C	C	.	.			trans	-72.3	140.5	-179.8	176.9	-110.8	0	0	0	111.7	F277 P278 P281 P282 L306 T308 Y316 I318 V321	F277-W312 HydrophobicContact CD2-CZ2 4.48Å; F277-W312 HydrophobicContact CE2-CH2 4.26Å; F277-W312 AromaticContact CE2-CZ2 3.88Å; F277-W312 HydrophobicContact CE2-CZ2 3.88Å; P278-W312 PolarHBondContact O-NE1 3.43Å; P281-W312 HydrophobicContact CB-CB 3.86Å; P281-W312 HydrophobicContact CB-CD2 3.59Å; P281-W312 HydrophobicContact CB-CE3 3.89Å; P281-W312 HydrophobicContact CB-CG 3.57Å; P281-W312 HydrophobicContact CG-CB 4.05Å; P281-W312 HydrophobicContact CG-CG 4.1Å; P282-W312 HydrophobicContact CG-CH2 4.42Å; L306-W312 WeakPolarHBondContact O-CA 3.23Å; L306-W312 WeakPolarHBondContact O-CB 3.4Å; L306-W312 VanDerWaalsContact O-CE3 3.3Å; T308-W312 WeakPolarHBondContact O-CB 3.39Å; T308-W312 PolarHBondContact O-N 2.93Å; W312-Y316 AromaticContact CE3-CD2 3.9Å; W312-Y316 HydrophobicContact CE3-CD2 3.9Å; W312-Y316 HydrophobicContact CZ3-CD2 4.11Å; W312-I318 HydrophobicContact CH2-CD1 4.29Å; W312-V321 HydrophobicContact CH2-CG2 4.31Å; W312-V321 HydrophobicContact CZ3-CG2 3.77Å
313	S	95.2	Very high	93.8	Very high	46 Å²	46	41.9 Å²	41.9	32%	0.322	23%	0.231	S	C	.	.			trans	-129	132	168.1	-175.2	0	0	0	0	109.1	A315 Y316	S313-A315 PolarHBondContact O-N 3.34Å; S313-A315 PolarHBondContact OG-N 2.83Å; S313-Y316 WeakPolarHBondContact O-CB 3.31Å; S313-Y316 WeakPolarHBondContact O-CD2 3.43Å; S313-Y316 PolarHBondContact O-N 3.09Å
314	S	94.4	Very high	94	Very high	49 Å²	49	44.9 Å²	44.9	34%	0.343	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.8	172.6	61.9	0	0	0	0	113.2	R207 P278	R207-S314 VanDerWaalsContact CZ-O 3.3Å; R207-S314 PolarHBondContact NH1-O 3.37Å; R207-S314 PolarHBondContact NH2-O 3.2Å; P278-S314 WeakPolarHBondContact O-CA 3.47Å; P278-S314 WeakPolarHBondContact O-CB 3.33Å
315	A	94.1	Very high	94.2	Very high	84 Å²	84	44.4 Å²	44.4	69%	0.694	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.3	173.6	0	0	0	0	0	113.8	S313	S313-A315 PolarHBondContact O-N 3.34Å; S313-A315 PolarHBondContact OG-N 2.83Å
316	Y	96.3	Very high	94.5	Very high	88 Å²	88	40.9 Å²	40.9	35%	0.345	22%	0.224	S	C	.	.			trans	-68.6	133.7	175.2	-64	-41.9	0	0	0	110.7	R207 L306 G311 W312 S313	R207-Y316 PolarHBondContact NH2-O 2.94Å; R207-Y316 VanDerWaalsContact NH2-O 3.09Å; L306-Y316 HydrophobicContact CB-CE2 4.29Å; G311-Y316 WeakPolarHBondContact O-CE2 3.49Å; W312-Y316 AromaticContact CE3-CD2 3.9Å; W312-Y316 HydrophobicContact CE3-CD2 3.9Å; W312-Y316 HydrophobicContact CZ3-CD2 4.11Å; S313-Y316 WeakPolarHBondContact O-CB 3.31Å; S313-Y316 WeakPolarHBondContact O-CD2 3.43Å; S313-Y316 PolarHBondContact O-N 3.09Å
317	S	97.1	Very high	94.6	Very high	33 Å²	33	43 Å²	43	23%	0.231	24%	0.244	C	C	.	.			trans	-81	148.7	167.6	68.5	0	0	0	0	109.9	E211 E319 S320 V321	E211-S317 WeakPolarHBondContact OE2-CA 3.43Å; S317-E319 VanDerWaalsContact C-N 3.27Å; S317-E319 PolarHBondContact O-N 3.21Å; S317-S320 PolarHBondContact N-OG 2.6Å; S317-S320 PolarHBondContact O-N 3.2Å; S317-S320 PolarHBondContact O-OG 3.36Å; S317-S320 WeakPolarHBondContact OG-CB 3.43Å; S317-S320 PolarHBondContact OG-N 2.9Å; S317-S320 PolarHBondContact OG-OG 2.92Å; S317-V321 WeakPolarHBondContact O-CG2 2.9Å; S317-V321 PolarHBondContact O-N 2.78Å; S317-V321 VanDerWaalsContact O-N 3.11Å
318	I	97.8	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-33	178.9	-61	-55.7	0	0	0	111.1	E211 I215 W238 F271 Y273 F277 P282 W312 S320 V321 I322	E211-I318 HydrophobicContact CB-CB 4.34Å; E211-I318 HydrophobicContact CB-CG1 3.96Å; E211-I318 HydrophobicContact CG-CG1 3.8Å; E211-I318 PolarHBondContact OE2-N 3.03Å; I215-I318 HydrophobicContact CD1-CB 4.13Å; I215-I318 HydrophobicContact CD1-CG2 3.93Å; W238-I318 HydrophobicContact CE3-CG2 4.43Å; W238-I318 HydrophobicContact CZ3-CG2 3.88Å; F271-I318 HydrophobicContact CD1-CG2 4.49Å; F271-I318 HydrophobicContact CE1-CG2 4.3Å; Y273-I318 HydrophobicContact CE1-CD1 3.92Å; Y273-I318 HydrophobicContact CE1-CG1 4.41Å; Y273-I318 WeakPolarHBondContact OH-CG2 3.34Å; F277-I318 HydrophobicContact CE2-CD1 4Å; F277-I318 HydrophobicContact CZ-CD1 3.86Å; F277-I318 HydrophobicContact CZ-CG1 4.2Å; P282-I318 HydrophobicContact CG-CD1 4.4Å; W312-I318 HydrophobicContact CH2-CD1 4.29Å; I318-S320 VanDerWaalsContact C-N 3.32Å; I318-S320 PolarHBondContact O-N 2.62Å; I318-V321 PolarHBondContact O-N 2.96Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.29Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.33Å; I318-I322 PolarHBondContact O-N 3.26Å
319	E	96.9	Very high	94.9	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-54	-49.4	168.6	173.8	-179.7	-169.3	0	0	111.1	I215 S218 S220 Y226 S317 V321 I322 M323	I215-E319 HydrophobicContact CG1-CB 4.19Å; S218-E319 VanDerWaalsContact CB-OE1 3.26Å; S218-E319 WeakPolarHBondContact CB-OE1 3.37Å; S218-E319 VanDerWaalsContact CB-OE2 3.25Å; S218-E319 WeakPolarHBondContact CB-OE2 3.43Å; S220-E319 WeakPolarHBondContact CB-OE1 3.31Å; S220-E319 PolarHBondContact OG-OE1 3.21Å; Y226-E319 WeakPolarHBondContact OH-CG 3.38Å; S317-E319 VanDerWaalsContact C-N 3.27Å; S317-E319 PolarHBondContact O-N 3.21Å; E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 2.96Å; E319-I322 PolarHBondContact O-N 3.05Å; E319-M323 HydrophobicContact CG-CG 4.4Å; E319-M323 WeakPolarHBondContact O-CG 3.11Å; E319-M323 PolarHBondContact O-N 3.09Å
320	S	96.7	Very high	95.3	Very high	43 Å²	43	38.6 Å²	38.6	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-37.3	-178.9	73.3	0	0	0	0	112	S317 I318 M323 Q324	S317-S320 PolarHBondContact N-OG 2.6Å; S317-S320 PolarHBondContact O-N 3.2Å; S317-S320 PolarHBondContact O-OG 3.36Å; S317-S320 WeakPolarHBondContact OG-CB 3.43Å; S317-S320 PolarHBondContact OG-N 2.9Å; S317-S320 PolarHBondContact OG-OG 2.92Å; I318-S320 VanDerWaalsContact C-N 3.32Å; I318-S320 PolarHBondContact O-N 2.62Å; S320-M323 PolarHBondContact O-N 3.33Å; S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.29Å; S320-Q324 PolarHBondContact O-N 2.92Å
321	V	97.6	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-48.1	175.3	176.2	0	0	0	0	110.7	F271 L306 L307 W312 S317 I318 E319 M323 Q324 I325	F271-V321 HydrophobicContact CE1-CG1 4.05Å; F271-V321 HydrophobicContact CZ-CG1 4.49Å; L306-V321 HydrophobicContact CD1-CB 4.34Å; L306-V321 HydrophobicContact CD1-CG1 3.99Å; L306-V321 HydrophobicContact CD1-CG2 4.02Å; L307-V321 HydrophobicContact CD2-CG1 4.07Å; W312-V321 HydrophobicContact CH2-CG2 4.31Å; W312-V321 HydrophobicContact CZ3-CG2 3.77Å; S317-V321 WeakPolarHBondContact O-CG2 2.9Å; S317-V321 PolarHBondContact O-N 2.78Å; S317-V321 VanDerWaalsContact O-N 3.11Å; I318-V321 PolarHBondContact O-N 2.96Å; E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 2.96Å; V321-M323 VanDerWaalsContact C-N 3.34Å; V321-M323 PolarHBondContact O-N 3.23Å; V321-Q324 PolarHBondContact O-N 3.06Å; V321-I325 HydrophobicContact CG1-CD1 3.89Å; V321-I325 VanDerWaalsContact O-CG1 3.28Å; V321-I325 WeakPolarHBondContact O-CG1 3.49Å; V321-I325 PolarHBondContact O-N 3.12Å
322	I	97.9	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-47.5	177.4	-68.5	166.1	0	0	0	110.4	I215 Y226 V240 L242 F271 I318 E319 Q324 I325 N326	I215-I322 HydrophobicContact CD1-CD1 4.25Å; Y226-I322 HydrophobicContact CD1-CG2 3.7Å; Y226-I322 HydrophobicContact CD2-CD1 4.2Å; Y226-I322 HydrophobicContact CD2-CG2 4.07Å; Y226-I322 HydrophobicContact CE1-CG2 4.06Å; Y226-I322 HydrophobicContact CE2-CD1 3.92Å; Y226-I322 HydrophobicContact CE2-CG2 4.41Å; Y226-I322 HydrophobicContact CG-CG2 3.71Å; V240-I322 HydrophobicContact CG1-CD1 3.95Å; V240-I322 HydrophobicContact CG1-CG1 4.11Å; V240-I322 HydrophobicContact CG1-CG2 3.93Å; V240-I322 HydrophobicContact CG2-CD1 4.12Å; L242-I322 HydrophobicContact CD2-CG2 3.77Å; F271-I322 HydrophobicContact CE1-CG1 4.15Å; F271-I322 HydrophobicContact CE2-CG1 4.31Å; F271-I322 HydrophobicContact CZ-CG1 3.65Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.29Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.33Å; I318-I322 PolarHBondContact O-N 3.26Å; E319-I322 PolarHBondContact O-N 3.05Å; I322-Q324 PolarHBondContact O-N 3.14Å; I322-I325 PolarHBondContact O-N 3.45Å; I322-N326 PolarHBondContact O-N 3.37Å
323	M	96.6	Very high	95.8	Very high	62 Å²	62	43.7 Å²	43.7	31%	0.305	25%	0.25	S	S	.	.	H	α-helix	trans	-66.3	-37.7	179.9	-69.1	-57.6	-63.4	0	0	112.3	I225 Y226 E319 S320 V321 N326 A327	I225-M323 HydrophobicContact CD1-CE 4.18Å; I225-M323 HydrophobicContact CG2-CE 4.32Å; I225-M323 HydrophobicContact CG2-SD 3.98Å; Y226-M323 HydrophobicContact CD1-SD 4.14Å; Y226-M323 HydrophobicContact CE1-SD 4.04Å; E319-M323 HydrophobicContact CG-CG 4.4Å; E319-M323 WeakPolarHBondContact O-CG 3.11Å; E319-M323 PolarHBondContact O-N 3.09Å; S320-M323 PolarHBondContact O-N 3.33Å; V321-M323 VanDerWaalsContact C-N 3.34Å; V321-M323 PolarHBondContact O-N 3.23Å; M323-N326 WeakPolarHBondContact O-CB 3.33Å; M323-N326 PolarHBondContact O-N 3.3Å; M323-A327 PolarHBondContact O-N 3.23Å
324	Q	95.9	Very high	95.9	Very high	84 Å²	84	41.5 Å²	41.5	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-68.9	-37.3	176.9	-169.6	170	24.8	0	0	112.1	M304 L306 S320 V321 I322 T328	M304-Q324 HydrophobicContact CE-CG 4.21Å; L306-Q324 VanDerWaalsContact CD1-OE1 3.3Å; L306-Q324 VanDerWaalsContact CD2-CD 3.48Å; L306-Q324 HydrophobicContact CD2-CG 4.09Å; L306-Q324 VanDerWaalsContact CD2-OE1 3.29Å; S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.29Å; S320-Q324 PolarHBondContact O-N 2.92Å; V321-Q324 PolarHBondContact O-N 3.06Å; I322-Q324 PolarHBondContact O-N 3.14Å; Q324-T328 VanDerWaalsContact O-CB 3.23Å; Q324-T328 WeakPolarHBondContact O-CB 3.5Å; Q324-T328 PolarHBondContact O-N 3.31Å; Q324-T328 PolarHBondContact O-OG1 3.09Å
325	I	97.3	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-48.7	170.9	-68.1	161.3	0	0	0	109.7	L269 F271 V284 L302 M304 V321 I322 A327 T328 L329	L269-I325 HydrophobicContact CD1-CD1 4.49Å; L269-I325 HydrophobicContact CD1-CG2 3.77Å; F271-I325 HydrophobicContact CE1-CD1 4.46Å; F271-I325 HydrophobicContact CE2-CD1 4.49Å; F271-I325 HydrophobicContact CZ-CD1 3.75Å; V284-I325 HydrophobicContact CG1-CD1 3.93Å; L302-I325 HydrophobicContact CD1-CD1 4.08Å; L302-I325 HydrophobicContact CD1-CG1 4.08Å; L302-I325 HydrophobicContact CD1-CG2 3.78Å; M304-I325 HydrophobicContact CE-CB 4.41Å; M304-I325 HydrophobicContact CE-CG1 3.86Å; M304-I325 HydrophobicContact SD-CB 4.35Å; M304-I325 HydrophobicContact SD-CG1 3.68Å; V321-I325 HydrophobicContact CG1-CD1 3.89Å; V321-I325 VanDerWaalsContact O-CG1 3.28Å; V321-I325 WeakPolarHBondContact O-CG1 3.49Å; V321-I325 PolarHBondContact O-N 3.12Å; I322-I325 PolarHBondContact O-N 3.45Å; I325-A327 PolarHBondContact O-N 3.15Å; I325-T328 PolarHBondContact O-N 2.88Å; I325-T328 VanDerWaalsContact O-N 3.12Å; I325-L329 HydrophobicContact CG2-CD1 4.13Å; I325-L329 HydrophobicContact CG2-CG 4.37Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.49Å
326	N	96.5	Very high	96.1	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-49.2	178.5	-168	3.5	0	0	0	111.7	L242 T244 V245 I322 M323 T328 L329 V330	L242-N326 HydrophobicContact CD1-CB 4.13Å; L242-N326 HydrophobicContact CD2-CB 4.4Å; T244-N326 PolarHBondContact O-ND2 3.32Å; V245-N326 WeakPolarHBondContact CG1-OD1 3.33Å; I322-N326 PolarHBondContact O-N 3.37Å; M323-N326 WeakPolarHBondContact O-CB 3.33Å; M323-N326 PolarHBondContact O-N 3.3Å; N326-T328 PolarHBondContact O-N 2.67Å; N326-L329 PolarHBondContact O-N 3.13Å; N326-V330 PolarHBondContact O-N 2.9Å
327	A	94.8	Very high	96	Very high	60 Å²	60	40.3 Å²	40.3	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-38	176.7	0	0	0	0	0	113	M323 I325 V330 K331	M323-A327 PolarHBondContact O-N 3.23Å; I325-A327 PolarHBondContact O-N 3.15Å; A327-V330 PolarHBondContact O-N 3.18Å; A327-K331 WeakPolarHBondContact O-CB 3.36Å; A327-K331 PolarHBondContact O-N 3.17Å
328	T	94.9	Very high	95.7	Very high	28 Å²	28	42.6 Å²	42.6	17%	0.172	22%	0.215	C	C	.	.	H	α-helix	trans	-70.9	-34.5	-178.4	-61	0	0	0	0	112.2	Y295 M304 Q324 I325 N326 V330 K331 G332	Y295-T328 HydrophobicContact CD2-CG2 3.64Å; Y295-T328 HydrophobicContact CE2-CG2 4.21Å; Y295-T328 HydrophobicContact CG-CG2 4.42Å; M304-T328 HydrophobicContact CE-CG2 3.92Å; M304-T328 WeakPolarHBondContact CE-OG1 3.21Å; M304-T328 HydrophobicContact CG-CG2 4.2Å; M304-T328 HydrophobicContact SD-CG2 4.16Å; Q324-T328 VanDerWaalsContact O-CB 3.23Å; Q324-T328 WeakPolarHBondContact O-CB 3.5Å; Q324-T328 PolarHBondContact O-N 3.31Å; Q324-T328 PolarHBondContact O-OG1 3.09Å; I325-T328 PolarHBondContact O-N 2.88Å; I325-T328 VanDerWaalsContact O-N 3.12Å; N326-T328 PolarHBondContact O-N 2.67Å; T328-V330 VanDerWaalsContact C-N 3.34Å; T328-K331 PolarHBondContact O-N 3.45Å; T328-G332 PolarHBondContact O-N 2.97Å
329	L	96.2	Very high	95.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-45.5	172.4	-70.6	171.4	0	0	0	110.9	L242 L251 I267 L291 V296 I325 N326 K333 A334	L242-L329 HydrophobicContact CD1-CD1 3.89Å; L251-L329 HydrophobicContact CD2-CB 4.21Å; I267-L329 HydrophobicContact CD1-CD1 4.04Å; L291-L329 HydrophobicContact CD1-CD2 4.12Å; V296-L329 HydrophobicContact CG2-CD2 3.58Å; I325-L329 HydrophobicContact CG2-CD1 4.13Å; I325-L329 HydrophobicContact CG2-CG 4.37Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.49Å; N326-L329 PolarHBondContact O-N 3.13Å; L329-K333 PolarHBondContact O-N 2.87Å; L329-A334 HydrophobicContact CB-CB 4.18Å; L329-A334 HydrophobicContact CD2-CB 4.31Å; L329-A334 WeakPolarHBondContact O-CB 3.3Å; L329-A334 PolarHBondContact O-N 2.85Å
330	V	95.7	Very high	94.6	Very high	28 Å²	28	45.2 Å²	45.2	17%	0.17	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-51.7	176.6	173.8	0	0	0	0	111.2	V245 D246 L251 N326 A327 T328 G332 K333	V245-V330 HydrophobicContact CB-CG2 4.23Å; D246-V330 HydrophobicContact CB-CG1 3.89Å; D246-V330 HydrophobicContact CB-CG2 3.99Å; L251-V330 HydrophobicContact CD2-CG2 4.42Å; N326-V330 PolarHBondContact O-N 2.9Å; A327-V330 PolarHBondContact O-N 3.18Å; T328-V330 VanDerWaalsContact C-N 3.34Å; V330-G332 VanDerWaalsContact C-N 3.26Å; V330-G332 PolarHBondContact O-N 3.16Å; V330-K333 WeakPolarHBondContact O-CA 3.36Å; V330-K333 PolarHBondContact O-N 3.05Å
331	K	92.6	Very high	94.1	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-38.2	179.2	-176	178.4	179.6	-177.9	0	112.2	A327 T328 K333	A327-K331 WeakPolarHBondContact O-CB 3.36Å; A327-K331 PolarHBondContact O-N 3.17Å; T328-K331 PolarHBondContact O-N 3.45Å; K331-K333 PolarHBondContact O-N 3.34Å
332	G	93.2	Very high	93.1	Very high	17 Å²	17	54.6 Å²	54.6	18%	0.175	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	7.2	175	0	0	0	0	0	114	G294 T328 V330 A334	G294-G332 PolarHBondContact N-O 3.01Å; T328-G332 PolarHBondContact O-N 2.97Å; V330-G332 VanDerWaalsContact C-N 3.26Å; V330-G332 PolarHBondContact O-N 3.16Å; G332-A334 VanDerWaalsContact C-N 3.27Å; G332-A334 PolarHBondContact O-N 2.74Å
333	K	94.8	Very high	92.2	Very high	139 Å²	139	60.6 Å²	60.6	60%	0.604	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	43.7	179.7	-59.8	175.8	-178.2	171.5	0	111.9	L329 V330 K331 R335	L329-K333 PolarHBondContact O-N 2.87Å; V330-K333 WeakPolarHBondContact O-CA 3.36Å; V330-K333 PolarHBondContact O-N 3.05Å; K331-K333 PolarHBondContact O-N 3.34Å; K333-R335 PolarHBondContact O-N 3.17Å
334	A	96.9	Very high	91.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.008	33%	0.328	C	S	.	.			trans	-56.6	137.9	177.1	0	0	0	0	0	110.6	L251 S292 L329 G332	L251-A334 WeakPolarHBondContact CB-O 3.4Å; L251-A334 HydrophobicContact CD1-CB 4.19Å; L251-A334 HydrophobicContact CD2-CB 4.12Å; S292-A334 CarbonylContact O-C 3.52Å; S292-A334 WeakPolarHBondContact O-CA 3.44Å; L329-A334 HydrophobicContact CB-CB 4.18Å; L329-A334 HydrophobicContact CD2-CB 4.31Å; L329-A334 WeakPolarHBondContact O-CB 3.3Å; L329-A334 PolarHBondContact O-N 2.85Å; G332-A334 VanDerWaalsContact C-N 3.27Å; G332-A334 PolarHBondContact O-N 2.74Å
335	R	97.1	Very high	91.7	Very high	106 Å²	106	57.8 Å²	57.8	40%	0.4	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.9	176.4	-57.3	-60.2	-56	-81	-2	110	D254 L291 S292 K333	D254-R335 IonicContact OD1-CZ 3.63Å; D254-R335 IonicContact OD1-NE 3.6Å; D254-R335 IonicContact OD1-NH2 2.8Å; D254-R335 PolarHBondContact OD1-NH2 3.18Å; D254-R335 WeakPolarHBondContact OD2-CA 3.27Å; D254-R335 IonicContact OD2-CZ 3.49Å; D254-R335 IonicContact OD2-NE 2.76Å; D254-R335 PolarHBondContact OD2-NE 3.35Å; D254-R335 IonicContact OD2-NH2 3.39Å; D254-R335 PolarHBondContact OD2-NH2 3.03Å; L291-R335 CarbonylContact C-O 3.54Å; L291-R335 VanDerWaalsContact CA-O 3.27Å; L291-R335 WeakPolarHBondContact CA-O 3.22Å; S292-R335 PolarHBondContact N-O 2.87Å; S292-R335 PolarHBondContact O-N 2.7Å; S292-R335 PolarHBondContact OG-O 3.01Å; K333-R335 PolarHBondContact O-N 3.17Å
336	V	95.9	Very high	91.4	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.6	174.5	179.1	0	0	0	0	109.5	L251 D254 L255 L258 P289 L291 F338	L251-V336 HydrophobicContact CD1-CG2 4.31Å; D254-V336 HydrophobicContact CB-CB 3.9Å; D254-V336 HydrophobicContact CB-CG2 3.67Å; D254-V336 PolarHBondContact OD2-N 2.75Å; L255-V336 HydrophobicContact CD2-CG2 4.34Å; L258-V336 HydrophobicContact CD1-CG1 4.41Å; P289-V336 HydrophobicContact CB-CG1 4Å; P289-V336 HydrophobicContact CG-CG1 4.1Å; P289-V336 HydrophobicContact CG-CG2 3.96Å; L291-V336 HydrophobicContact CD2-CG2 3.96Å; V336-F338 HydrophobicContact CB-CE1 4.42Å; V336-F338 HydrophobicContact CB-CE2 4.04Å; V336-F338 HydrophobicContact CB-CZ 3.97Å; V336-F338 HydrophobicContact CG1-CD1 4.13Å; V336-F338 HydrophobicContact CG1-CD2 4.47Å; V336-F338 HydrophobicContact CG1-CE1 3.9Å; V336-F338 HydrophobicContact CG1-CE2 4.25Å; V336-F338 HydrophobicContact CG1-CG 4.41Å; V336-F338 HydrophobicContact CG1-CZ 3.96Å; V336-F338 WeakPolarHBondContact O-CD2 3.49Å; V336-F338 PolarHBondContact O-N 3.29Å
337	Q	94.2	Very high	91.2	Very high	79 Å²	79	63.2 Å²	63.2	37%	0.369	34%	0.341	S	S	.	.			trans	-86.1	86.7	174.4	-64.3	-168.1	51.5	0	0	110.2	V290 L291 G339 A340	V290-Q337 HydrophobicContact CB-CB 4.37Å; V290-Q337 HydrophobicContact CG1-CB 4.12Å; V290-Q337 HydrophobicContact CG1-CG 4.41Å; V290-Q337 PolarHBondContact O-N 3.39Å; L291-Q337 PolarHBondContact O-NE2 3.08Å; Q337-G339 PolarHBondContact O-N 2.99Å; Q337-A340 HydrophobicContact CB-CB 3.88Å; Q337-A340 WeakPolarHBondContact O-CB 3.47Å; Q337-A340 PolarHBondContact O-N 3.31Å
338	F	91.1	Very high	91	Very high	80 Å²	80	62.8 Å²	62.8	35%	0.351	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	127.3	176.2	-60.7	-78.3	0	0	0	111.1	D254 V257 L258 K261 V336	D254-F338 HydrophobicContact CB-CE2 4.32Å; D254-F338 HydrophobicContact CB-CZ 4.21Å; D254-F338 WeakPolarHBondContact O-CZ 3.32Å; V257-F338 HydrophobicContact CB-CE1 4.35Å; V257-F338 HydrophobicContact CB-CZ 3.93Å; V257-F338 HydrophobicContact CG1-CE1 3.9Å; V257-F338 HydrophobicContact CG1-CE2 4.5Å; V257-F338 HydrophobicContact CG1-CZ 3.77Å; L258-F338 HydrophobicContact CB-CE1 4.25Å; L258-F338 HydrophobicContact CD1-CE1 4.18Å; K261-F338 HydrophobicContact CD-CD1 4.43Å; V336-F338 HydrophobicContact CB-CE1 4.42Å; V336-F338 HydrophobicContact CB-CE2 4.04Å; V336-F338 HydrophobicContact CB-CZ 3.97Å; V336-F338 HydrophobicContact CG1-CD1 4.13Å; V336-F338 HydrophobicContact CG1-CD2 4.47Å; V336-F338 HydrophobicContact CG1-CE1 3.9Å; V336-F338 HydrophobicContact CG1-CE2 4.25Å; V336-F338 HydrophobicContact CG1-CG 4.41Å; V336-F338 HydrophobicContact CG1-CZ 3.96Å; V336-F338 WeakPolarHBondContact O-CD2 3.49Å; V336-F338 PolarHBondContact O-N 3.29Å
339	G	85.1	Confident	90.8	Very high	83 Å²	83	67.4 Å²	67.4	86%	0.856	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	0.8	-179.2	0	0	0	0	0	115.2	Q337	Q337-G339 PolarHBondContact O-N 2.99Å
340	A	86.5	Confident	90.7	Very high	27 Å²	27	67.3 Å²	67.3	22%	0.223	35%	0.351	C	S	.	.			trans	-64.7	148.2	170	0	0	0	0	0	111.3	V290 Q337 K342	V290-A340 HydrophobicContact CB-CB 3.76Å; V290-A340 HydrophobicContact CG1-CB 3.78Å; V290-A340 HydrophobicContact CG2-CB 3.99Å; Q337-A340 HydrophobicContact CB-CB 3.88Å; Q337-A340 WeakPolarHBondContact O-CB 3.47Å; Q337-A340 PolarHBondContact O-N 3.31Å; A340-K342 PolarHBondContact O-N 3.23Å
341	N	85.4	Confident	90.5	Very high	107 Å²	107	70 Å²	70	57%	0.572	36%	0.362	S	S	*	.			trans	-66.7	119.9	177.4	-175.8	-12.8	0	0	0	109.7	N343 Q344	N341-N343 PolarHBondContact O-N 2.84Å; N341-N343 VanDerWaalsContact O-N 3.14Å; N341-N343 WeakPolarHBondContact OD1-CB 3.35Å; N341-N343 PolarHBondContact OD1-N 3.32Å; N341-Q344 WeakPolarHBondContact O-CB 3.36Å; N341-Q344 PolarHBondContact O-N 2.75Å
342	K	75.9	Confident	90.5	Very high	134 Å²	134	71.8 Å²	71.8	58%	0.583	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.8	-179.8	-63.9	-172.8	176.6	-170.6	0	112.9	E262 A340 Q344	E262-K342 WeakPolarHBondContact OE2-CE 3.46Å; E262-K342 IonicContact OE2-NZ 2.71Å; E262-K342 PolarHBondContact OE2-NZ 3.12Å; A340-K342 PolarHBondContact O-N 3.23Å; K342-Q344 PolarHBondContact O-N 3.08Å
343	N	80.6	Confident	90.5	Very high	125 Å²	125	72.4 Å²	72.4	67%	0.668	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-75.5	-0.8	177.2	-65	-9.3	0	0	0	113.5	N341 Y345	N341-N343 PolarHBondContact O-N 2.84Å; N341-N343 VanDerWaalsContact O-N 3.14Å; N341-N343 WeakPolarHBondContact OD1-CB 3.35Å; N341-N343 PolarHBondContact OD1-N 3.32Å; N343-Y345 VanDerWaalsContact C-N 3.26Å; N343-Y345 PolarHBondContact O-N 3.18Å
344	Q	86.9	Confident	90.3	Very high	69 Å²	69	68.2 Å²	68.2	32%	0.322	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.6	176.3	-176	173.4	-10.3	0	0	111.8	N341 K342 R349	N341-Q344 WeakPolarHBondContact O-CB 3.36Å; N341-Q344 PolarHBondContact O-N 2.75Å; K342-Q344 PolarHBondContact O-N 3.08Å; Q344-R349 PolarHBondContact O-NH1 3.27Å
345	Y	93.9	Very high	89.9	Confident	18 Å²	18	73.4 Å²	73.4	7%	0.071	38%	0.376	C	S	.	.			trans	-95.6	122.7	176.7	-71.8	-0	0	0	0	110.5	V286 P289 V290 L291 V296 G299 N343	V286-Y345 HydrophobicContact CB-CD2 4.2Å; V286-Y345 HydrophobicContact CB-CE2 3.89Å; V286-Y345 HydrophobicContact CG1-CD2 4.09Å; V286-Y345 HydrophobicContact CG1-CE2 3.73Å; V286-Y345 WeakPolarHBondContact O-CD2 3.49Å; P289-Y345 WeakPolarHBondContact O-CE2 3.44Å; V290-Y345 HydrophobicContact CB-CE2 4.39Å; V290-Y345 HydrophobicContact CG1-CE1 4.01Å; V290-Y345 HydrophobicContact CG1-CE2 4.47Å; V290-Y345 HydrophobicContact CG2-CD2 4.4Å; V290-Y345 HydrophobicContact CG2-CE2 4.44Å; V290-Y345 HydrophobicContact CG2-CG 4.47Å; L291-Y345 PolarHBondContact N-OH 2.92Å; L291-Y345 PolarHBondContact O-OH 3.37Å; L291-Y345 VanDerWaalsContact O-OH 3.1Å; V296-Y345 HydrophobicContact CG1-CE2 4.45Å; V296-Y345 VanDerWaalsContact CG1-OH 3.31Å; V296-Y345 WeakPolarHBondContact CG1-OH 3.23Å; G299-Y345 VanDerWaalsContact C-CD1 3.49Å; G299-Y345 WeakPolarHBondContact O-CA 3.43Å; N343-Y345 VanDerWaalsContact C-N 3.26Å; N343-Y345 PolarHBondContact O-N 3.18Å
346	N	92.3	Very high	89.5	Confident	52 Å²	52	70.9 Å²	70.9	28%	0.278	38%	0.375	S	S	.	.			trans	-157.4	162.3	175.5	63	63.2	0	0	0	109.8	G299 A348 R349 A350	G299-N346 PolarHBondContact O-N 3.22Å; N346-A348 PolarHBondContact O-N 3.08Å; N346-A348 PolarHBondContact OD1-N 3.3Å; N346-R349 WeakPolarHBondContact ND2-CD 3.46Å; N346-R349 PolarHBondContact O-N 3.35Å; N346-R349 WeakPolarHBondContact OD1-CB 3.45Å; N346-R349 WeakPolarHBondContact OD1-CG 3.49Å; N346-R349 PolarHBondContact OD1-N 3.21Å; N346-A350 WeakPolarHBondContact O-CB 3.38Å; N346-A350 PolarHBondContact O-N 2.9Å
347	L	90.4	Very high	89.2	Confident	72 Å²	72	70.8 Å²	70.8	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-48.1	-174.2	-179.6	58.6	0	0	0	112.4	F283 R349 A350 Q351	F283-L347 HydrophobicContact CD1-CD1 4.17Å; F283-L347 HydrophobicContact CE1-CD1 3.59Å; L347-R349 PolarHBondContact O-N 3.12Å; L347-A350 PolarHBondContact O-N 2.91Å; L347-Q351 HydrophobicContact CD1-CG 4.05Å; L347-Q351 HydrophobicContact CG-CG 4.41Å; L347-Q351 WeakPolarHBondContact O-CB 3.25Å; L347-Q351 WeakPolarHBondContact O-CG 3.41Å; L347-Q351 PolarHBondContact O-N 3.49Å
348	A	90.8	Very high	88.7	Confident	51 Å²	51	68.2 Å²	68.2	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-47	-176.7	0	0	0	0	0	112.4	N346 A350 Q351 Q352	N346-A348 PolarHBondContact O-N 3.08Å; N346-A348 PolarHBondContact OD1-N 3.3Å; A348-A350 PolarHBondContact O-N 2.88Å; A348-Q351 PolarHBondContact O-N 3.48Å; A348-Q352 WeakPolarHBondContact O-CB 3.25Å; A348-Q352 PolarHBondContact O-N 2.83Å
349	R	92	Very high	88.4	Confident	125 Å²	125	70.6 Å²	70.6	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-38.8	177.1	-71.2	-177.1	-180	175.4	-2.9	112	Q344 N346 L347 Q352 S353	Q344-R349 PolarHBondContact O-NH1 3.27Å; N346-R349 WeakPolarHBondContact ND2-CD 3.46Å; N346-R349 PolarHBondContact O-N 3.35Å; N346-R349 WeakPolarHBondContact OD1-CB 3.45Å; N346-R349 WeakPolarHBondContact OD1-CG 3.49Å; N346-R349 PolarHBondContact OD1-N 3.21Å; L347-R349 PolarHBondContact O-N 3.12Å; R349-Q352 PolarHBondContact O-N 3.4Å; R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 2.86Å; R349-S353 PolarHBondContact O-OG 2.95Å
350	A	93.9	Very high	88.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-45.9	175.2	0	0	0	0	0	111.1	F283 R285 A301 N346 L347 A348 Q352 S353 Y354	F283-A350 HydrophobicContact CE1-CB 4.39Å; F283-A350 HydrophobicContact CZ-CB 3.83Å; R285-A350 HydrophobicContact CB-CB 4.05Å; A301-A350 HydrophobicContact CB-CB 4.1Å; A301-A350 VanDerWaalsContact CB-O 3.31Å; A301-A350 WeakPolarHBondContact CB-O 3.42Å; N346-A350 WeakPolarHBondContact O-CB 3.38Å; N346-A350 PolarHBondContact O-N 2.9Å; L347-A350 PolarHBondContact O-N 2.91Å; A348-A350 PolarHBondContact O-N 2.88Å; A350-Q352 PolarHBondContact O-N 3.19Å; A350-S353 PolarHBondContact O-N 3.42Å; A350-Y354 WeakPolarHBondContact O-CB 3.47Å; A350-Y354 PolarHBondContact O-N 3.26Å
351	Q	91.8	Very high	88.1	Confident	84 Å²	84	71.9 Å²	71.9	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-41.7	177.7	-73.8	173.2	-25.5	0	0	112.1	F283 L347 A348 Y354 K355	F283-Q351 HydrophobicContact CE1-CG 4.01Å; F283-Q351 HydrophobicContact CE2-CG 4.25Å; F283-Q351 HydrophobicContact CZ-CB 4.47Å; F283-Q351 HydrophobicContact CZ-CG 3.74Å; L347-Q351 HydrophobicContact CD1-CG 4.05Å; L347-Q351 HydrophobicContact CG-CG 4.41Å; L347-Q351 WeakPolarHBondContact O-CB 3.25Å; L347-Q351 WeakPolarHBondContact O-CG 3.41Å; L347-Q351 PolarHBondContact O-N 3.49Å; A348-Q351 PolarHBondContact O-N 3.48Å; Q351-Y354 PolarHBondContact O-N 3.37Å; Q351-K355 WeakPolarHBondContact O-CG 3.42Å; Q351-K355 PolarHBondContact O-N 3.38Å
352	Q	92.2	Very high	87.9	Confident	127 Å²	127	72.3 Å²	72.3	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-49.4	175.3	-173.1	-179.5	12.9	0	0	111.4	A348 R349 A350 Y354 K355 S356	A348-Q352 WeakPolarHBondContact O-CB 3.25Å; A348-Q352 PolarHBondContact O-N 2.83Å; R349-Q352 PolarHBondContact O-N 3.4Å; A350-Q352 PolarHBondContact O-N 3.19Å; Q352-Y354 VanDerWaalsContact C-N 3.28Å; Q352-Y354 PolarHBondContact O-N 3.02Å; Q352-K355 PolarHBondContact O-N 2.72Å; Q352-S356 PolarHBondContact O-N 3.05Å; Q352-S356 PolarHBondContact O-OG 2.83Å
353	S	91.9	Very high	88	Confident	30 Å²	30	74.4 Å²	74.4	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-38.7	176.4	-68.7	0	0	0	0	112.4	G298 R349 A350 L357	G298-S353 WeakPolarHBondContact O-CB 3.43Å; G298-S353 PolarHBondContact O-OG 3.27Å; R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 2.86Å; R349-S353 PolarHBondContact O-OG 2.95Å; A350-S353 PolarHBondContact O-N 3.42Å; S353-L357 VanDerWaalsContact O-CB 3.28Å; S353-L357 WeakPolarHBondContact O-CB 3.39Å; S353-L357 PolarHBondContact O-N 3.23Å
354	Y	91	Very high	87.9	Confident	52 Å²	52	74.1 Å²	74.1	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-45.6	175.4	179.8	-95.1	0	0	0	112.3	F283 L307 T308 A350 Q351 Q352 S356 L357 V358	F283-Y354 HydrophobicContact CD2-CG 4.32Å; F283-Y354 HydrophobicContact CE2-CD1 4.44Å; F283-Y354 HydrophobicContact CE2-CD2 4.37Å; F283-Y354 AromaticContact CE2-CG 3.97Å; F283-Y354 HydrophobicContact CE2-CG 3.97Å; L307-Y354 WeakPolarHBondContact O-CE2 3.4Å; L307-Y354 PolarHBondContact O-OH 3.42Å; T308-Y354 HydrophobicContact CG2-CE2 4.38Å; A350-Y354 WeakPolarHBondContact O-CB 3.47Å; A350-Y354 PolarHBondContact O-N 3.26Å; Q351-Y354 PolarHBondContact O-N 3.37Å; Q352-Y354 VanDerWaalsContact C-N 3.28Å; Q352-Y354 PolarHBondContact O-N 3.02Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 2.94Å; Y354-L357 WeakPolarHBondContact O-CB 3.31Å; Y354-L357 PolarHBondContact O-N 3.1Å; Y354-V358 HydrophobicContact CD1-CG2 4.19Å; Y354-V358 HydrophobicContact CE1-CG2 3.75Å; Y354-V358 HydrophobicContact CE2-CG2 4.17Å; Y354-V358 WeakPolarHBondContact O-CG2 3.26Å; Y354-V358 PolarHBondContact O-N 3.03Å
355	K	89.8	Confident	87.6	Confident	109 Å²	109	72.6 Å²	72.6	47%	0.474	37%	0.366	S	S	.	.	H	α-helix	trans	-56	-47.1	175.3	-74.9	179.1	179.8	-177.4	0	110.6	D66 Q351 Q352 V358 Q359	D66-K355 IonicContact OD1-NZ 2.69Å; D66-K355 PolarHBondContact OD1-NZ 2.91Å; Q351-K355 WeakPolarHBondContact O-CG 3.42Å; Q351-K355 PolarHBondContact O-N 3.38Å; Q352-K355 PolarHBondContact O-N 2.72Å; K355-V358 PolarHBondContact O-N 3.24Å; K355-Q359 WeakPolarHBondContact O-CG 3.23Å; K355-Q359 PolarHBondContact O-N 3.25Å
356	S	88.4	Confident	87	Confident	54 Å²	54	74.5 Å²	74.5	38%	0.378	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-40.4	177	-60.2	0	0	0	0	112.8	Q352 Y354 Q359 I360	Q352-S356 PolarHBondContact O-N 3.05Å; Q352-S356 PolarHBondContact O-OG 2.83Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 2.94Å; S356-Q359 PolarHBondContact O-N 3.47Å; S356-I360 WeakPolarHBondContact O-CD1 3.39Å; S356-I360 VanDerWaalsContact O-CG1 3.26Å; S356-I360 WeakPolarHBondContact O-CG1 3.47Å; S356-I360 PolarHBondContact O-N 3.23Å; S356-I360 VanDerWaalsContact O-N 3.09Å
357	L	88.3	Confident	86.2	Confident	9 Å²	9	80.4 Å²	80.4	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-50.5	176.7	171.5	151.8	0	0	0	111.6	L297 C303 T308 S353 Y354 Q359 I360 H361 W366	L297-L357 HydrophobicContact CD1-CB 4.12Å; L297-L357 HydrophobicContact CD1-CD1 3.53Å; L297-L357 HydrophobicContact CD1-CG 4.46Å; C303-L357 HydrophobicContact CB-CD1 3.37Å; C303-L357 WeakPolarHBondContact SG-CD1 3.3Å; T308-L357 HydrophobicContact CG2-CD2 3.74Å; S353-L357 VanDerWaalsContact O-CB 3.28Å; S353-L357 WeakPolarHBondContact O-CB 3.39Å; S353-L357 PolarHBondContact O-N 3.23Å; Y354-L357 WeakPolarHBondContact O-CB 3.31Å; Y354-L357 PolarHBondContact O-N 3.1Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.16Å; L357-I360 PolarHBondContact O-N 3.44Å; L357-H361 PolarHBondContact O-CD2 2.91Å; L357-H361 VanDerWaalsContact O-CD2 3.32Å; L357-H361 PolarHBondContact O-N 2.85Å; L357-W366 HydrophobicContact CD1-CH2 4.4Å; L357-W366 HydrophobicContact CD2-CH2 3.95Å; L357-W366 HydrophobicContact CD2-CZ2 3.95Å; L357-W366 HydrophobicContact CG-CH2 4.47Å
358	V	85.1	Confident	85	Confident	24 Å²	24	82 Å²	82	15%	0.145	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-44.8	-177.5	172.6	0	0	0	0	110.1	T308 Y354 K355 I360 H361 E362	T308-V358 HydrophobicContact CG2-CG2 4.2Å; Y354-V358 HydrophobicContact CD1-CG2 4.19Å; Y354-V358 HydrophobicContact CE1-CG2 3.75Å; Y354-V358 HydrophobicContact CE2-CG2 4.17Å; Y354-V358 WeakPolarHBondContact O-CG2 3.26Å; Y354-V358 PolarHBondContact O-N 3.03Å; K355-V358 PolarHBondContact O-N 3.24Å; V358-I360 PolarHBondContact O-N 3.04Å; V358-H361 PolarHBondContact O-N 2.91Å; V358-E362 HydrophobicContact CG1-CG 4.18Å; V358-E362 WeakPolarHBondContact CG1-OE1 3.24Å; V358-E362 VanDerWaalsContact O-CB 3.32Å; V358-E362 WeakPolarHBondContact O-CB 3.47Å; V358-E362 VanDerWaalsContact O-CG 3.27Å; V358-E362 WeakPolarHBondContact O-CG 3.48Å; V358-E362 PolarHBondContact O-N 3.32Å
359	Q	84.3	Confident	83.4	Confident	131 Å²	131	81.3 Å²	81.3	61%	0.612	40%	0.397	S	S	*	.	H	α-helix	trans	-60.9	-40.5	177.4	-70.1	175.3	-10.3	0	0	113.2	K355 S356 L357 K363	K355-Q359 WeakPolarHBondContact O-CG 3.23Å; K355-Q359 PolarHBondContact O-N 3.25Å; S356-Q359 PolarHBondContact O-N 3.47Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.16Å; Q359-K363 PolarHBondContact O-N 2.92Å
360	I	83.6	Confident	81.7	Confident	92 Å²	92	78.4 Å²	78.4	47%	0.472	39%	0.394	S	S	.	.	H	α-helix	trans	-68.3	-45.5	179.8	-69.3	166.5	0	0	0	110.6	S356 L357 V358 K363 N364	S356-I360 WeakPolarHBondContact O-CD1 3.39Å; S356-I360 VanDerWaalsContact O-CG1 3.26Å; S356-I360 WeakPolarHBondContact O-CG1 3.47Å; S356-I360 PolarHBondContact O-N 3.23Å; S356-I360 VanDerWaalsContact O-N 3.09Å; L357-I360 PolarHBondContact O-N 3.44Å; V358-I360 PolarHBondContact O-N 3.04Å; I360-K363 PolarHBondContact O-N 3.42Å; I360-N364 WeakPolarHBondContact O-CB 3.17Å; I360-N364 PolarHBondContact O-N 3Å; I360-N364 PolarHBondContact O-ND2 2.84Å
361	H	82.4	Confident	79.8	Confident	44 Å²	44	88 Å²	88	20%	0.204	44%	0.436	C	S	.	.	H	α-helix	trans	-77.6	-28.1	-177	-76.5	-76.6	0	0	0	113.5	L357 V358 K363 G365 W366	L357-H361 PolarHBondContact O-CD2 2.91Å; L357-H361 VanDerWaalsContact O-CD2 3.32Å; L357-H361 PolarHBondContact O-N 2.85Å; V358-H361 PolarHBondContact O-N 2.91Å; H361-K363 PolarHBondContact O-N 3.13Å; H361-G365 PolarHBondContact ND1-O 3.49Å; H361-G365 VanDerWaalsContact O-CA 3.24Å; H361-G365 WeakPolarHBondContact O-CA 3.45Å; H361-G365 PolarHBondContact O-N 2.76Å; H361-W366 HydrophobicContact CB-CD2 4.31Å; H361-W366 HydrophobicContact CB-CZ2 3.99Å; H361-W366 AromaticContact CD2-CH2 3.99Å; H361-W366 AromaticContact CD2-CZ2 3.99Å; H361-W366 AromaticContact CE1-CE3 3.84Å; H361-W366 AromaticContact CE1-CZ3 3.98Å; H361-W366 AromaticContact CG-CD2 3.95Å; H361-W366 AromaticContact CG-CE2 3.72Å; H361-W366 AromaticContact CG-CZ2 3.81Å; H361-W366 AromaticContact ND1-CD2 3.66Å; H361-W366 AromaticContact ND1-CE2 3.94Å; H361-W366 AromaticContact ND1-CE3 3.81Å
362	E	80.8	Confident	77.9	Confident	116 Å²	116	92.9 Å²	92.9	54%	0.542	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-35.3	168.2	-80.3	178.7	173.2	0	0	111.7	Q310 V358	Q310-E362 PolarHBondContact NE2-OE1 3.26Å; V358-E362 HydrophobicContact CG1-CG 4.18Å; V358-E362 WeakPolarHBondContact CG1-OE1 3.24Å; V358-E362 VanDerWaalsContact O-CB 3.32Å; V358-E362 WeakPolarHBondContact O-CB 3.47Å; V358-E362 VanDerWaalsContact O-CG 3.27Å; V358-E362 WeakPolarHBondContact O-CG 3.48Å; V358-E362 PolarHBondContact O-N 3.32Å
363	K	77.8	Confident	75.9	Confident	179 Å²	179	91.9 Å²	91.9	78%	0.778	46%	0.458	S	S	*	.	H	α-helix	trans	-82.8	-40.3	179.7	-170.8	177	179.2	179.5	0	113.5	Q359 I360 H361	Q359-K363 PolarHBondContact O-N 2.92Å; I360-K363 PolarHBondContact O-N 3.42Å; H361-K363 PolarHBondContact O-N 3.13Å
364	N	79.4	Confident	73.5	Confident	118 Å²	118	94.8 Å²	94.8	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-107.9	-8.8	-168.4	-61.2	-32.5	0	0	0	114.1	I360	I360-N364 WeakPolarHBondContact O-CB 3.17Å; I360-N364 PolarHBondContact O-N 3Å; I360-N364 PolarHBondContact O-ND2 2.84Å
365	G	78.6	Confident	72.6	Confident	38 Å²	38	97 Å²	97	39%	0.392	51%	0.507	S	S	.	.			trans	78.5	171.1	-173.9	0	0	0	0	0	113.8	H361	H361-G365 PolarHBondContact ND1-O 3.49Å; H361-G365 VanDerWaalsContact O-CA 3.24Å; H361-G365 WeakPolarHBondContact O-CA 3.45Å; H361-G365 PolarHBondContact O-N 2.76Å
366	W	82.1	Confident	71.7	Confident	58 Å²	58	96.3 Å²	96.3	22%	0.22	51%	0.509	C	S	.	.			trans	-91	130.5	172	-74.4	94.2	0	0	0	110.1	E305 T308 L357 H361	E305-W366 HydrophobicContact CB-CD2 3.61Å; E305-W366 HydrophobicContact CB-CE3 3.72Å; E305-W366 HydrophobicContact CB-CG 4.06Å; E305-W366 HydrophobicContact CB-CH2 4.33Å; E305-W366 HydrophobicContact CB-CZ2 4.24Å; E305-W366 HydrophobicContact CB-CZ3 4.08Å; E305-W366 HydrophobicContact CG-CB 4.41Å; E305-W366 HydrophobicContact CG-CD2 3.82Å; E305-W366 HydrophobicContact CG-CE3 4.42Å; E305-W366 HydrophobicContact CG-CG 3.76Å; T308-W366 HydrophobicContact CG2-CH2 4.2Å; T308-W366 HydrophobicContact CG2-CZ2 3.51Å; L357-W366 HydrophobicContact CD1-CH2 4.4Å; L357-W366 HydrophobicContact CD2-CH2 3.95Å; L357-W366 HydrophobicContact CD2-CZ2 3.95Å; L357-W366 HydrophobicContact CG-CH2 4.47Å; H361-W366 HydrophobicContact CB-CD2 4.31Å; H361-W366 HydrophobicContact CB-CZ2 3.99Å; H361-W366 AromaticContact CD2-CH2 3.99Å; H361-W366 AromaticContact CD2-CZ2 3.99Å; H361-W366 AromaticContact CE1-CE3 3.84Å; H361-W366 AromaticContact CE1-CZ3 3.98Å; H361-W366 AromaticContact CG-CD2 3.95Å; H361-W366 AromaticContact CG-CE2 3.72Å; H361-W366 AromaticContact CG-CZ2 3.81Å; H361-W366 AromaticContact ND1-CD2 3.66Å; H361-W366 AromaticContact ND1-CE2 3.94Å; H361-W366 AromaticContact ND1-CE3 3.81Å
367	Y	75.3	Confident	70.8	Confident	175 Å²	175	98.7 Å²	98.7	69%	0.686	52%	0.516	S	S	*	.			trans	-98.6	122.8	172.7	-178.8	-101.7	0	0	0	109.1	P369	Y367-P369 HydrophobicContact CD1-CG 4.25Å; Y367-P369 HydrophobicContact CE1-CB 4.27Å; Y367-P369 HydrophobicContact CE1-CG 4.26Å; Y367-P369 WeakPolarHBondContact O-CD 3.33Å
368	T	64.9	Low	69.7	Low	107 Å²	107	103.9 Å²	103.9	66%	0.656	54%	0.544	S	S	*	.			trans	-94.6	113.2	170.7	-44.5	0	0	0	0	108.6
369	P	57.3	Low	68.8	Low	35 Å²	35	108.9 Å²	108.9	23%	0.227	57%	0.569	C	S	.	*			trans	-60.2	146.7	175.9	-21.9	32.6	0	0	0	111.5	Y367	Y367-P369 HydrophobicContact CD1-CG 4.25Å; Y367-P369 HydrophobicContact CE1-CB 4.27Å; Y367-P369 HydrophobicContact CE1-CG 4.26Å; Y367-P369 WeakPolarHBondContact O-CD 3.33Å
370	P	56.6	Low	67.7	Low	64 Å²	64	107.5 Å²	107.5	42%	0.416	57%	0.566	S	S	.	*			trans	-53.1	152.7	176.2	-24.1	33.8	0	0	0	112.4	E372 D373	P370-E372 PolarHBondContact O-N 3.4Å; P370-D373 PolarHBondContact O-N 3.41Å
371	K	53.8	Low	66.6	Low	203 Å²	203	108.6 Å²	108.6	88%	0.883	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-61.4	-18.3	-177.8	-69.7	-177	178.2	179.5	0	113.9
372	E	52	Low	65.4	Low	185 Å²	185	113.5 Å²	113.5	86%	0.864	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-82	-11.8	-173.1	-58.6	-179	-169.4	0	0	113.8	P370	P370-E372 PolarHBondContact O-N 3.4Å
373	D	50.8	Low	64.1	Low	106 Å²	106	113.3 Å²	113.3	57%	0.567	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-91.4	7.5	-178.1	-73.7	-33.8	0	0	0	114.4	P370	P370-D373 PolarHBondContact O-N 3.41Å
374	G	40.9	Very low	62.9	Low	92 Å²	92	107.4 Å²	107.4	95%	0.948	59%	0.59	S	S	*	*			trans	-98.7	0	-176.5	0	0	0	0	0	113.4

Retrieved 374 of 374 residues in 188.4 ms (Link to these results)

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