A0A096N9Y9_PAPAN Loading...

GDP-L-fucose synthase

Catalyzes the two-step NADP-dependent conversion of GDP-4-dehydro-6-deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction.

AlphaFold DB , UniProt , Accession A0A096N9Y9, Species PAPAN (Papio anubis, Olive baboon), Gene GFUS, Length 321 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	69.7	Low	244 Å²	244	98.3 Å²	98.3	100%	1.202	57%	0.57	S	S	*	*				0	100.7	0	-64.5	179.6	-148.8	0	0	105.2
2	G	41.1	Very low	72.1	Confident	79 Å²	79	90.1 Å²	90.1	81%	0.814	52%	0.523	S	S	*	.			trans	-68.3	134.5	179.9	0	0	0	0	0	108.8
3	E	38.8	Very low	74.2	Confident	180 Å²	180	83.2 Å²	83.2	84%	0.841	48%	0.483	S	S	*	.			trans	-48.9	141.2	167.9	-72.5	-178.9	152.2	0	0	109.2	Q5	E3-Q5 PolarHBondContact O-N 2.73Å
4	P	45.7	Very low	75.9	Confident	123 Å²	123	78.6 Å²	78.6	80%	0.799	46%	0.462	S	S	*	.			trans	-58.1	115.5	172.7	24.5	-30.6	0	0	0	107.3	G6	P4-G6 PolarHBondContact O-N 3.05Å
5	Q	57.1	Low	77.4	Confident	178 Å²	178	73.4 Å²	73.4	83%	0.832	43%	0.432	S	S	*	.			trans	-50	107	173.6	-118.2	159.5	-17.2	0	0	107.3	E3 S7	E3-Q5 PolarHBondContact O-N 2.73Å; Q5-S7 PolarHBondContact O-N 3.13Å
6	G	68.8	Low	78.7	Confident	65 Å²	65	73.3 Å²	73.3	67%	0.67	44%	0.436	S	S	*	.			trans	-57.3	137.3	-174.2	0	0	0	0	0	109.9	P4 M8	P4-G6 PolarHBondContact O-N 3.05Å; G6-M8 PolarHBondContact O-N 3.31Å
7	S	89.2	Confident	79.8	Confident	83 Å²	83	70.1 Å²	70.1	58%	0.58	42%	0.422	S	S	*	.			trans	-59.9	125.8	177.2	178.9	0	0	0	0	109.8	Q5 G35	Q5-S7 PolarHBondContact O-N 3.13Å; S7-G35 WeakPolarHBondContact CA-O 3.37Å
8	M	96.1	Very high	80.8	Confident	42 Å²	42	67.2 Å²	67.2	21%	0.207	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.8	177.2	-168.7	-175.1	-69.1	0	0	108.9	G6 I10 G35 E36 D37 H65	G6-M8 PolarHBondContact O-N 3.31Å; M8-I10 HydrophobicContact CG-CD1 4.07Å; M8-I10 HydrophobicContact CG-CG1 3.69Å; M8-I10 HydrophobicContact SD-CD1 3.63Å; M8-I10 HydrophobicContact SD-CG1 3.72Å; M8-G35 PolarHBondContact N-O 2.98Å; M8-E36 HydrophobicContact CB-CG 4.25Å; M8-E36 CarbonylContact O-C 3.58Å; M8-E36 VanDerWaalsContact O-CA 3.31Å; M8-E36 WeakPolarHBondContact O-CA 3.28Å; M8-E36 HydrophobicContact SD-CG 4.49Å; M8-D37 PolarHBondContact O-N 2.75Å; M8-H65 HydrophobicContact CG-CB 4.35Å; M8-H65 VanDerWaalsContact CG-ND1 3.28Å; M8-H65 WeakPolarHBondContact CG-ND1 3.43Å; M8-H65 HydrophobicContact SD-CB 4.46Å
9	R	98.4	Very high	81.7	Confident	87 Å²	87	64.8 Å²	64.8	33%	0.328	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.1	169.7	-171	175.1	-71.3	152.9	7.9	110.3	D37 V39 V61 T64 H65	R9-D37 HydrophobicContact CG-CB 4.36Å; R9-D37 IonicContact NE-OD2 2.72Å; R9-D37 PolarHBondContact NE-OD2 3.42Å; R9-D37 VanDerWaalsContact NE-OD2 3.1Å; R9-V39 HydrophobicContact CG-CG2 4.39Å; R9-V61 WeakPolarHBondContact CD-O 3.37Å; R9-V61 HydrophobicContact CG-CG1 4.23Å; R9-V61 PolarHBondContact NH1-O 2.86Å; R9-T64 PolarHBondContact N-OG1 3.09Å; R9-T64 PolarHBondContact O-N 3.16Å; R9-T64 PolarHBondContact O-OG1 3.3Å; R9-H65 PolarHBondContact O-N 3.33Å
10	I	98.8	Very high	82.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107	-169.5	-54.3	161.5	0	0	0	108.7	M8 V12 E36 D37 W38 V39 H65 I67 L231	M8-I10 HydrophobicContact CG-CD1 4.07Å; M8-I10 HydrophobicContact CG-CG1 3.69Å; M8-I10 HydrophobicContact SD-CD1 3.63Å; M8-I10 HydrophobicContact SD-CG1 3.72Å; I10-V12 HydrophobicContact CG2-CG2 4.2Å; I10-E36 HydrophobicContact CD1-CB 4.15Å; I10-E36 HydrophobicContact CD1-CG 4.15Å; I10-D37 PolarHBondContact N-O 2.68Å; I10-W38 HydrophobicContact CB-CD2 4.28Å; I10-W38 HydrophobicContact CB-CE3 4.25Å; I10-W38 HydrophobicContact CD1-CD2 3.83Å; I10-W38 HydrophobicContact CD1-CE3 4.33Å; I10-W38 HydrophobicContact CD1-CG 4.32Å; I10-W38 HydrophobicContact CD1-CH2 4.04Å; I10-W38 HydrophobicContact CD1-CZ2 3.51Å; I10-W38 HydrophobicContact CD1-CZ3 4.44Å; I10-W38 HydrophobicContact CG2-CD2 4.34Å; I10-W38 HydrophobicContact CG2-CE3 3.83Å; I10-W38 HydrophobicContact CG2-CH2 4.26Å; I10-W38 HydrophobicContact CG2-CZ3 3.8Å; I10-V39 PolarHBondContact O-N 2.86Å; I10-H65 CarbonylContact C-O 3.59Å; I10-H65 WeakPolarHBondContact CA-O 3.41Å; I10-H65 HydrophobicContact CB-CB 4.49Å; I10-H65 HydrophobicContact CG1-CB 4.05Å; I10-H65 HydrophobicContact CG2-CB 4.49Å; I10-I67 HydrophobicContact CG2-CD1 4.39Å; I10-I67 HydrophobicContact CG2-CG1 4.47Å; I10-L231 HydrophobicContact CD1-CD2 4.06Å; I10-L231 HydrophobicContact CG1-CD2 4.15Å; I10-L231 HydrophobicContact CG2-CD2 3.68Å
11	L	98.9	Very high	83.3	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.8	173.9	175.4	63.5	0	0	0	110.2	T13 V39 V41 F58 V61 P63 H65 V66 I67	L11-T13 HydrophobicContact CD2-CG2 4.44Å; L11-T13 HydrophobicContact CG-CG2 4.36Å; L11-V39 HydrophobicContact CD1-CB 4.47Å; L11-V39 HydrophobicContact CD1-CG1 4.27Å; L11-V41 HydrophobicContact CD1-CB 4.45Å; L11-V41 HydrophobicContact CD1-CG1 3.71Å; L11-V41 HydrophobicContact CD1-CG2 3.86Å; L11-F58 HydrophobicContact CD2-CD1 4.34Å; L11-F58 HydrophobicContact CD2-CD2 4.14Å; L11-F58 HydrophobicContact CD2-CE1 3.93Å; L11-F58 HydrophobicContact CD2-CE2 3.74Å; L11-F58 HydrophobicContact CD2-CG 4.43Å; L11-F58 HydrophobicContact CD2-CZ 3.63Å; L11-V61 HydrophobicContact CB-CG1 4.36Å; L11-V61 HydrophobicContact CD1-CG1 4.42Å; L11-P63 HydrophobicContact CB-CB 3.69Å; L11-P63 HydrophobicContact CB-CG 4.1Å; L11-P63 HydrophobicContact CD2-CG 4.14Å; L11-H65 PolarHBondContact N-O 2.88Å; L11-V66 CarbonylContact O-C 3.59Å; L11-V66 VanDerWaalsContact O-CA 3.3Å; L11-V66 WeakPolarHBondContact O-CA 3.34Å; L11-I67 PolarHBondContact O-N 3.49Å
12	V	98.9	Very high	86.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	99	176.7	-172.6	0	0	0	0	109.5	I10 W38 V39 F40 V41 I67 L69	I10-V12 HydrophobicContact CG2-CG2 4.2Å; V12-W38 HydrophobicContact CG2-CE3 3.91Å; V12-W38 HydrophobicContact CG2-CZ3 4.1Å; V12-V39 PolarHBondContact N-O 3.24Å; V12-F40 HydrophobicContact CB-CD1 3.53Å; V12-F40 HydrophobicContact CB-CE1 3.89Å; V12-F40 HydrophobicContact CB-CG 4.27Å; V12-F40 HydrophobicContact CG1-CD1 3.73Å; V12-F40 HydrophobicContact CG1-CE1 3.97Å; V12-F40 HydrophobicContact CG2-CD1 3.82Å; V12-F40 HydrophobicContact CG2-CE1 3.67Å; V12-F40 HydrophobicContact CG2-CZ 4.32Å; V12-V41 WeakPolarHBondContact O-CG2 3Å; V12-V41 PolarHBondContact O-N 3Å; V12-I67 WeakPolarHBondContact CA-O 3.42Å; V12-I67 HydrophobicContact CG1-CB 4.28Å; V12-I67 HydrophobicContact CG1-CG2 4.42Å; V12-I67 HydrophobicContact CG2-CB 4.25Å; V12-I67 HydrophobicContact CG2-CD1 4.41Å; V12-L69 HydrophobicContact CG1-CD1 3.77Å; V12-L69 HydrophobicContact CG1-CG 4.35Å
13	T	98.9	Very high	89.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	142.9	174.4	67.6	0	0	0	0	110.5	L11 G15 V41 L48 I67 H68 L69 A70 V97	L11-T13 HydrophobicContact CD2-CG2 4.44Å; L11-T13 HydrophobicContact CG-CG2 4.36Å; T13-G15 PolarHBondContact O-N 3.11Å; T13-V41 HydrophobicContact CG2-CG2 4.34Å; T13-L48 HydrophobicContact CG2-CD1 4.07Å; T13-I67 PolarHBondContact N-O 2.92Å; T13-H68 VanDerWaalsContact OG1-CA 3.31Å; T13-H68 WeakPolarHBondContact OG1-CA 3.47Å; T13-H68 PolarHBondContact OG1-ND1 3.11Å; T13-L69 WeakPolarHBondContact O-CA 3.41Å; T13-L69 WeakPolarHBondContact O-CB 3.41Å; T13-L69 PolarHBondContact O-N 3.41Å; T13-L69 VanDerWaalsContact O-N 3.16Å; T13-L69 PolarHBondContact OG1-N 2.9Å; T13-A70 PolarHBondContact O-N 3.27Å; T13-A70 PolarHBondContact OG1-N 3.14Å; T13-V97 HydrophobicContact CG2-CG1 4.41Å; T13-V97 HydrophobicContact CG2-CG2 4.43Å
14	G	98.4	Very high	92.1	Very high	19 Å²	19	40.5 Å²	40.5	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	23.3	-175.8	0	0	0	0	0	112.9	S16 G17 V41	G14-S16 PolarHBondContact O-N 3.39Å; G14-S16 VanDerWaalsContact O-N 3.11Å; G14-G17 PolarHBondContact O-N 2.88Å; G14-G17 VanDerWaalsContact O-N 3.09Å; G14-V41 PolarHBondContact N-O 3.13Å
15	G	98.3	Very high	94.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.7	-177.6	0	0	0	0	0	114.3	T13 G20 K21 Q24 V41	T13-G15 PolarHBondContact O-N 3.11Å; G15-G20 CarbonylContact O-C 3.51Å; G15-G20 WeakPolarHBondContact O-CA 3.38Å; G15-K21 PolarHBondContact O-N 3.41Å; G15-Q24 PolarHBondContact O-NE2 2.95Å; G15-V41 PolarHBondContact N-O 3.38Å
16	S	97.8	Very high	96.6	Very high	71 Å²	71	32 Å²	32	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.1	177.5	62.5	0	0	0	0	114.8	G14 S42	G14-S16 PolarHBondContact O-N 3.39Å; G14-S16 VanDerWaalsContact O-N 3.11Å; S16-S42 WeakPolarHBondContact OG-CB 3.4Å
17	G	97.3	Very high	98	Very high	19 Å²	19	30 Å²	30	20%	0.196	17%	0.167	C	C	.	.	S	Bend	trans	-86.2	-178.9	178.5	0	0	0	0	0	113.5	G14 V19 G20 K21	G14-G17 PolarHBondContact O-N 2.88Å; G14-G17 VanDerWaalsContact O-N 3.09Å; G17-V19 PolarHBondContact O-N 3.17Å; G17-G20 PolarHBondContact O-N 2.93Å; G17-K21 WeakPolarHBondContact O-CB 3.43Å; G17-K21 WeakPolarHBondContact O-CG 3.37Å; G17-K21 PolarHBondContact O-N 3.21Å
18	L	98.1	Very high	98.4	Very high	19 Å²	19	30 Å²	30	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-45.5	-60.8	178.8	172.2	61.5	0	0	0	113	G20 K21 A22 V173 P176 D178	L18-G20 PolarHBondContact O-N 3.42Å; L18-K21 PolarHBondContact O-N 2.95Å; L18-A22 PolarHBondContact O-N 3.42Å; L18-A22 VanDerWaalsContact O-N 3.07Å; L18-V173 HydrophobicContact CD2-CB 3.99Å; L18-V173 HydrophobicContact CD2-CG1 3.72Å; L18-V173 HydrophobicContact CG-CG1 4.26Å; L18-P176 WeakPolarHBondContact CD1-O 3.37Å; L18-D178 HydrophobicContact CD1-CB 4.15Å; L18-D178 HydrophobicContact CD2-CB 4.34Å
19	V	98.8	Very high	98.5	Very high	22 Å²	22	33 Å²	33	13%	0.133	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-40.2	-176.8	-176.5	0	0	0	0	111	G17 K21 A22 I23 L69 V173 L223 F227	G17-V19 PolarHBondContact O-N 3.17Å; V19-K21 PolarHBondContact O-N 2.91Å; V19-A22 PolarHBondContact O-N 3.44Å; V19-I23 HydrophobicContact CG1-CD1 4.14Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 3.36Å; V19-L69 HydrophobicContact CB-CD1 4.07Å; V19-L69 HydrophobicContact CG1-CD1 3.89Å; V19-L69 HydrophobicContact CG1-CD2 3.92Å; V19-V173 HydrophobicContact CG2-CG1 4.26Å; V19-L223 HydrophobicContact CG1-CD2 4.25Å; V19-L223 HydrophobicContact CG2-CD2 3.98Å; V19-F227 HydrophobicContact CG1-CD2 4.01Å; V19-F227 HydrophobicContact CG1-CE2 3.8Å
20	G	98.7	Very high	98.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-42	178.8	0	0	0	0	0	112.9	G15 G17 L18 I23 Q24	G15-G20 CarbonylContact O-C 3.51Å; G15-G20 WeakPolarHBondContact O-CA 3.38Å; G17-G20 PolarHBondContact O-N 2.93Å; L18-G20 PolarHBondContact O-N 3.42Å; G20-I23 PolarHBondContact O-N 2.98Å; G20-Q24 WeakPolarHBondContact O-CG 3.41Å; G20-Q24 PolarHBondContact O-N 3.3Å
21	K	98.8	Very high	98.2	Very high	68 Å²	68	33.1 Å²	33.1	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-68.5	-37	176.2	-78.3	-74.5	171.9	-165	0	112.7	G15 G17 L18 V19 Q24 K25 H177	G15-K21 PolarHBondContact O-N 3.41Å; G17-K21 WeakPolarHBondContact O-CB 3.43Å; G17-K21 WeakPolarHBondContact O-CG 3.37Å; G17-K21 PolarHBondContact O-N 3.21Å; L18-K21 PolarHBondContact O-N 2.95Å; V19-K21 PolarHBondContact O-N 2.91Å; K21-Q24 WeakPolarHBondContact O-CB 3.39Å; K21-Q24 PolarHBondContact O-N 3.3Å; K21-K25 PolarHBondContact O-N 3.28Å; K21-H177 HydrophobicContact CB-CB 4.07Å; K21-H177 HydrophobicContact CG-CB 4.01Å
22	A	98.9	Very high	97.9	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-43.7	173.1	0	0	0	0	0	112	L18 V19 K25 V26 S220 L221 A224	L18-A22 PolarHBondContact O-N 3.42Å; L18-A22 VanDerWaalsContact O-N 3.07Å; V19-A22 PolarHBondContact O-N 3.44Å; A22-K25 PolarHBondContact O-N 3.49Å; A22-V26 WeakPolarHBondContact O-CG2 3.31Å; A22-V26 PolarHBondContact O-N 3.36Å; A22-S220 WeakPolarHBondContact CB-O 3.19Å; A22-L221 HydrophobicContact CB-CD2 3.94Å; A22-A224 VanDerWaalsContact C-CB 3.49Å; A22-A224 HydrophobicContact CB-CB 3.82Å
23	I	98.9	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-44	174.5	-64.1	171.5	0	0	0	110.8	V19 G20 K25 V26 V27 W38 F40 I67 L69 A224 F227 I228	V19-I23 HydrophobicContact CG1-CD1 4.14Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 3.36Å; G20-I23 PolarHBondContact O-N 2.98Å; I23-K25 VanDerWaalsContact C-N 3.29Å; I23-K25 PolarHBondContact O-N 2.91Å; I23-V26 PolarHBondContact O-N 3.06Å; I23-V27 HydrophobicContact CG2-CG2 4.1Å; I23-V27 WeakPolarHBondContact O-CB 3.28Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 2.97Å; I23-W38 HydrophobicContact CG2-CE3 4.21Å; I23-W38 HydrophobicContact CG2-CH2 4.35Å; I23-W38 HydrophobicContact CG2-CZ3 3.66Å; I23-F40 HydrophobicContact CB-CE1 4.16Å; I23-F40 HydrophobicContact CG2-CE1 3.77Å; I23-F40 HydrophobicContact CG2-CZ 3.98Å; I23-I67 HydrophobicContact CD1-CD1 4.41Å; I23-I67 HydrophobicContact CD1-CG2 4.31Å; I23-L69 HydrophobicContact CD1-CD1 4.02Å; I23-A224 HydrophobicContact CB-CB 4.38Å; I23-A224 HydrophobicContact CG1-CB 3.71Å; I23-F227 HydrophobicContact CD1-CB 3.97Å; I23-F227 HydrophobicContact CD1-CD2 4.46Å; I23-F227 HydrophobicContact CD1-CG 4.13Å; I23-F227 HydrophobicContact CG1-CB 4.45Å; I23-I228 HydrophobicContact CG2-CD1 4.46Å; I23-I228 HydrophobicContact CG2-CG1 4.35Å
24	Q	98.7	Very high	97.6	Very high	49 Å²	49	44.5 Å²	44.5	23%	0.229	29%	0.289	C	S	.	.	H	α-helix	trans	-53.9	-47.2	174.1	-76.2	173.4	27.7	0	0	111.9	G15 G20 K21 A28 F40	G15-Q24 PolarHBondContact O-NE2 2.95Å; G20-Q24 WeakPolarHBondContact O-CG 3.41Å; G20-Q24 PolarHBondContact O-N 3.3Å; K21-Q24 WeakPolarHBondContact O-CB 3.39Å; K21-Q24 PolarHBondContact O-N 3.3Å; Q24-A28 VanDerWaalsContact O-CB 3.27Å; Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 2.93Å; Q24-F40 HydrophobicContact CB-CE1 4.4Å; Q24-F40 HydrophobicContact CB-CE2 4.48Å; Q24-F40 HydrophobicContact CB-CZ 4.27Å; Q24-F40 HydrophobicContact CG-CB 4.32Å; Q24-F40 HydrophobicContact CG-CD1 3.45Å; Q24-F40 VanDerWaalsContact CG-CD1 3.45Å; Q24-F40 HydrophobicContact CG-CD2 3.6Å; Q24-F40 HydrophobicContact CG-CE1 3.47Å; Q24-F40 VanDerWaalsContact CG-CE1 3.47Å; Q24-F40 HydrophobicContact CG-CE2 3.62Å; Q24-F40 HydrophobicContact CG-CG 3.51Å; Q24-F40 HydrophobicContact CG-CZ 3.56Å; Q24-F40 VanDerWaalsContact NE2-CB 3.3Å
25	K	98.6	Very high	97.5	Very high	105 Å²	105	45.7 Å²	45.7	46%	0.457	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-50.1	-179.9	178.5	54.8	173.8	145.5	0	111.4	K21 A22 I23 V27 A28 D29 L221	K21-K25 PolarHBondContact O-N 3.28Å; A22-K25 PolarHBondContact O-N 3.49Å; I23-K25 VanDerWaalsContact C-N 3.29Å; I23-K25 PolarHBondContact O-N 2.91Å; K25-V27 PolarHBondContact O-N 2.73Å; K25-A28 PolarHBondContact O-N 2.87Å; K25-D29 WeakPolarHBondContact CD-OD2 3.49Å; K25-D29 WeakPolarHBondContact CE-OD2 3.41Å; K25-D29 IonicContact NZ-OD1 3.52Å; K25-D29 PolarHBondContact NZ-OD1 3.1Å; K25-D29 IonicContact NZ-OD2 2.83Å; K25-D29 PolarHBondContact NZ-OD2 2.86Å; K25-D29 WeakPolarHBondContact O-CB 3.43Å; K25-D29 PolarHBondContact O-N 3.13Å; K25-L221 HydrophobicContact CB-CD2 4.21Å; K25-L221 HydrophobicContact CG-CD2 4.1Å
26	V	98.7	Very high	97.4	Very high	17 Å²	17	47.1 Å²	47.1	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.5	-179.6	173.7	0	0	0	0	111.9	A22 I23 D29 A31 L221 A224 Q225 I228	A22-V26 WeakPolarHBondContact O-CG2 3.31Å; A22-V26 PolarHBondContact O-N 3.36Å; I23-V26 PolarHBondContact O-N 3.06Å; V26-D29 PolarHBondContact O-N 3.01Å; V26-A31 HydrophobicContact CG1-CB 3.63Å; V26-A31 WeakPolarHBondContact O-CB 3.32Å; V26-A31 PolarHBondContact O-N 3.48Å; V26-L221 HydrophobicContact CG2-CD2 4.26Å; V26-A224 HydrophobicContact CB-CB 4.3Å; V26-A224 HydrophobicContact CG2-CB 3.78Å; V26-Q225 HydrophobicContact CG1-CG 3.9Å; V26-Q225 HydrophobicContact CG2-CG 4.29Å; V26-I228 HydrophobicContact CB-CD1 4.13Å; V26-I228 HydrophobicContact CG1-CD1 3.55Å
27	V	98.3	Very high	97.4	Very high	23 Å²	23	47 Å²	47	14%	0.139	30%	0.301	C	S	.	.	I	π-helix	trans	-63.6	-46.5	175.2	171.5	0	0	0	0	111.1	I23 K25 D29 G30 W38 I228	I23-V27 HydrophobicContact CG2-CG2 4.1Å; I23-V27 WeakPolarHBondContact O-CB 3.28Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 2.97Å; K25-V27 PolarHBondContact O-N 2.73Å; V27-D29 PolarHBondContact O-N 3.03Å; V27-G30 PolarHBondContact O-N 2.94Å; V27-G30 VanDerWaalsContact O-N 3.16Å; V27-W38 HydrophobicContact CG1-CB 4.5Å; V27-W38 HydrophobicContact CG1-CD2 4.14Å; V27-W38 HydrophobicContact CG1-CG 3.89Å; V27-W38 HydrophobicContact CG2-CD2 3.76Å; V27-W38 HydrophobicContact CG2-CE3 3.95Å; V27-W38 HydrophobicContact CG2-CG 4.38Å; V27-W38 HydrophobicContact CG2-CH2 4.05Å; V27-W38 HydrophobicContact CG2-CZ2 3.82Å; V27-W38 HydrophobicContact CG2-CZ3 4.08Å; V27-I228 HydrophobicContact CG2-CD1 3.9Å
28	A	97.8	Very high	97.5	Very high	83 Å²	83	47.8 Å²	47.8	69%	0.686	30%	0.298	S	S	*	.	I	π-helix	trans	-64.3	-28.9	178.7	0	0	0	0	0	113.1	Q24 K25 G30	Q24-A28 VanDerWaalsContact O-CB 3.27Å; Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 2.93Å; K25-A28 PolarHBondContact O-N 2.87Å; A28-G30 PolarHBondContact O-N 3.41Å
29	D	97.8	Very high	97.5	Very high	104 Å²	104	48.7 Å²	48.7	56%	0.556	30%	0.304	S	S	*	.	I	π-helix	trans	-81	9.7	177.2	-68.9	-12.2	0	0	0	113.5	K25 V26 V27	K25-D29 WeakPolarHBondContact CD-OD2 3.49Å; K25-D29 WeakPolarHBondContact CE-OD2 3.41Å; K25-D29 IonicContact NZ-OD1 3.52Å; K25-D29 PolarHBondContact NZ-OD1 3.1Å; K25-D29 IonicContact NZ-OD2 2.83Å; K25-D29 PolarHBondContact NZ-OD2 2.86Å; K25-D29 WeakPolarHBondContact O-CB 3.43Å; K25-D29 PolarHBondContact O-N 3.13Å; V26-D29 PolarHBondContact O-N 3.01Å; V27-D29 PolarHBondContact O-N 3.03Å
30	G	95.8	Very high	97.5	Very high	62 Å²	62	50 Å²	50	64%	0.639	31%	0.308	S	S	*	.	I	π-helix	trans	106.6	7.7	170.9	0	0	0	0	0	115.2	V27 A28 G32	V27-G30 PolarHBondContact O-N 2.94Å; V27-G30 VanDerWaalsContact O-N 3.16Å; A28-G30 PolarHBondContact O-N 3.41Å; G30-G32 VanDerWaalsContact C-N 3.26Å; G30-G32 PolarHBondContact O-N 3.02Å
31	A	96.3	Very high	97.5	Very high	29 Å²	29	50.4 Å²	50.4	24%	0.24	31%	0.31	C	S	.	.	I	π-helix	trans	-73.9	-17.9	173.1	0	0	0	0	0	113.2	V26 I228 R232	V26-A31 HydrophobicContact CG1-CB 3.63Å; V26-A31 WeakPolarHBondContact O-CB 3.32Å; V26-A31 PolarHBondContact O-N 3.48Å; A31-I228 HydrophobicContact CB-CD1 4.1Å; A31-R232 PolarHBondContact O-NH1 3.37Å; A31-R232 VanDerWaalsContact O-NH1 3.09Å; A31-R232 PolarHBondContact O-NH2 3.26Å
32	G	93.1	Very high	97.5	Very high	29 Å²	29	48.4 Å²	48.4	30%	0.299	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-67.9	135.1	175.1	0	0	0	0	0	112	G30	G30-G32 VanDerWaalsContact C-N 3.26Å; G30-G32 PolarHBondContact O-N 3.02Å
33	L	95.6	Very high	97.4	Very high	92 Å²	92	53.1 Å²	53.1	48%	0.482	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-98.2	152.4	178.6	-64.6	175.1	0	0	0	111.5	G35 E36	L33-G35 PolarHBondContact O-N 2.97Å; L33-E36 HydrophobicContact CB-CG 4.2Å; L33-E36 PolarHBondContact N-OE2 3.26Å; L33-E36 WeakPolarHBondContact O-CB 3.29Å; L33-E36 PolarHBondContact O-N 3.42Å; L33-E36 VanDerWaalsContact O-N 3.08Å
34	P	95.4	Very high	97.4	Very high	118 Å²	118	62.5 Å²	62.5	77%	0.766	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	132.2	170.8	-25.1	34.5	0	0	0	111.4
35	G	95.1	Very high	97.4	Very high	43 Å²	43	64.8 Å²	64.8	44%	0.443	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.3	-176.9	0	0	0	0	0	114.7	S7 M8 L33	S7-G35 WeakPolarHBondContact CA-O 3.37Å; M8-G35 PolarHBondContact N-O 2.98Å; L33-G35 PolarHBondContact O-N 2.97Å
36	E	97.7	Very high	97.4	Very high	32 Å²	32	60 Å²	60	15%	0.15	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	172.1	-63	-178.3	163.2	0	0	112.5	M8 I10 L33 W38 R232	M8-E36 HydrophobicContact CB-CG 4.25Å; M8-E36 CarbonylContact O-C 3.58Å; M8-E36 VanDerWaalsContact O-CA 3.31Å; M8-E36 WeakPolarHBondContact O-CA 3.28Å; M8-E36 HydrophobicContact SD-CG 4.49Å; I10-E36 HydrophobicContact CD1-CB 4.15Å; I10-E36 HydrophobicContact CD1-CG 4.15Å; L33-E36 HydrophobicContact CB-CG 4.2Å; L33-E36 PolarHBondContact N-OE2 3.26Å; L33-E36 WeakPolarHBondContact O-CB 3.29Å; L33-E36 PolarHBondContact O-N 3.42Å; L33-E36 VanDerWaalsContact O-N 3.08Å; E36-W38 PolarHBondContact OE2-NE1 2.95Å; E36-R232 IonicContact OE1-CZ 2.69Å; E36-R232 VanDerWaalsContact OE1-CZ 3.23Å; E36-R232 IonicContact OE1-NE 2.94Å; E36-R232 PolarHBondContact OE1-NE 2.91Å; E36-R232 IonicContact OE1-NH2 3.82Å; E36-R232 PolarHBondContact OE1-NH2 3.21Å; E36-R232 IonicContact OE2-CZ 3.89Å; E36-R232 IonicContact OE2-NH2 3.32Å; E36-R232 PolarHBondContact OE2-NH2 3.45Å
37	D	98.1	Very high	97.4	Very high	69 Å²	69	62.5 Å²	62.5	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	106.9	173.7	176.3	24.3	0	0	0	109.1	M8 R9 I10	M8-D37 PolarHBondContact O-N 2.75Å; R9-D37 HydrophobicContact CG-CB 4.36Å; R9-D37 IonicContact NE-OD2 2.72Å; R9-D37 PolarHBondContact NE-OD2 3.42Å; R9-D37 VanDerWaalsContact NE-OD2 3.1Å; I10-D37 PolarHBondContact N-O 2.68Å
38	W	98.6	Very high	97.4	Very high	35 Å²	35	62.2 Å²	62.2	13%	0.133	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.4	-175.1	-71.1	80.3	0	0	0	111.2	I10 V12 I23 V27 E36 F40 I67 I228 L231	I10-W38 HydrophobicContact CB-CD2 4.28Å; I10-W38 HydrophobicContact CB-CE3 4.25Å; I10-W38 HydrophobicContact CD1-CD2 3.83Å; I10-W38 HydrophobicContact CD1-CE3 4.33Å; I10-W38 HydrophobicContact CD1-CG 4.32Å; I10-W38 HydrophobicContact CD1-CH2 4.04Å; I10-W38 HydrophobicContact CD1-CZ2 3.51Å; I10-W38 HydrophobicContact CD1-CZ3 4.44Å; I10-W38 HydrophobicContact CG2-CD2 4.34Å; I10-W38 HydrophobicContact CG2-CE3 3.83Å; I10-W38 HydrophobicContact CG2-CH2 4.26Å; I10-W38 HydrophobicContact CG2-CZ3 3.8Å; V12-W38 HydrophobicContact CG2-CE3 3.91Å; V12-W38 HydrophobicContact CG2-CZ3 4.1Å; I23-W38 HydrophobicContact CG2-CE3 4.21Å; I23-W38 HydrophobicContact CG2-CH2 4.35Å; I23-W38 HydrophobicContact CG2-CZ3 3.66Å; V27-W38 HydrophobicContact CG1-CB 4.5Å; V27-W38 HydrophobicContact CG1-CD2 4.14Å; V27-W38 HydrophobicContact CG1-CG 3.89Å; V27-W38 HydrophobicContact CG2-CD2 3.76Å; V27-W38 HydrophobicContact CG2-CE3 3.95Å; V27-W38 HydrophobicContact CG2-CG 4.38Å; V27-W38 HydrophobicContact CG2-CH2 4.05Å; V27-W38 HydrophobicContact CG2-CZ2 3.82Å; V27-W38 HydrophobicContact CG2-CZ3 4.08Å; E36-W38 PolarHBondContact OE2-NE1 2.95Å; W38-F40 HydrophobicContact CB-CD2 4.38Å; W38-F40 HydrophobicContact CB-CE2 3.63Å; W38-F40 HydrophobicContact CB-CZ 4.18Å; W38-F40 HydrophobicContact CD2-CZ 4.39Å; W38-F40 HydrophobicContact CE3-CE1 4.34Å; W38-F40 HydrophobicContact CE3-CE2 4.38Å; W38-F40 AromaticContact CE3-CZ 3.75Å; W38-F40 HydrophobicContact CE3-CZ 3.75Å; W38-F40 HydrophobicContact CG-CE2 4.47Å; W38-I67 HydrophobicContact CH2-CD1 4.09Å; W38-I67 HydrophobicContact CZ3-CD1 3.74Å; W38-I228 HydrophobicContact CH2-CG1 3.84Å; W38-I228 HydrophobicContact CZ2-CG1 4.4Å; W38-I228 HydrophobicContact CZ2-CG2 4.47Å; W38-L231 HydrophobicContact CH2-CD2 4.19Å
39	V	98.8	Very high	97.4	Very high	37 Å²	37	60.4 Å²	60.4	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	103.3	-178	-174.5	0	0	0	0	109.8	R9 I10 L11 V12 V41 V61	R9-V39 HydrophobicContact CG-CG2 4.39Å; I10-V39 PolarHBondContact O-N 2.86Å; L11-V39 HydrophobicContact CD1-CB 4.47Å; L11-V39 HydrophobicContact CD1-CG1 4.27Å; V12-V39 PolarHBondContact N-O 3.24Å; V39-V41 HydrophobicContact CG1-CG1 4.12Å; V39-V61 HydrophobicContact CB-CG1 4.29Å; V39-V61 HydrophobicContact CG1-CG1 4.31Å; V39-V61 HydrophobicContact CG1-CG2 4.18Å; V39-V61 HydrophobicContact CG2-CG1 4.17Å
40	F	98.8	Very high	97.5	Very high	51 Å²	51	58.5 Å²	58.5	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	179	-61.4	-90.7	0	0	0	111.2	V12 I23 Q24 W38	V12-F40 HydrophobicContact CB-CD1 3.53Å; V12-F40 HydrophobicContact CB-CE1 3.89Å; V12-F40 HydrophobicContact CB-CG 4.27Å; V12-F40 HydrophobicContact CG1-CD1 3.73Å; V12-F40 HydrophobicContact CG1-CE1 3.97Å; V12-F40 HydrophobicContact CG2-CD1 3.82Å; V12-F40 HydrophobicContact CG2-CE1 3.67Å; V12-F40 HydrophobicContact CG2-CZ 4.32Å; I23-F40 HydrophobicContact CB-CE1 4.16Å; I23-F40 HydrophobicContact CG2-CE1 3.77Å; I23-F40 HydrophobicContact CG2-CZ 3.98Å; Q24-F40 HydrophobicContact CB-CE1 4.4Å; Q24-F40 HydrophobicContact CB-CE2 4.48Å; Q24-F40 HydrophobicContact CB-CZ 4.27Å; Q24-F40 HydrophobicContact CG-CB 4.32Å; Q24-F40 HydrophobicContact CG-CD1 3.45Å; Q24-F40 VanDerWaalsContact CG-CD1 3.45Å; Q24-F40 HydrophobicContact CG-CD2 3.6Å; Q24-F40 HydrophobicContact CG-CE1 3.47Å; Q24-F40 VanDerWaalsContact CG-CE1 3.47Å; Q24-F40 HydrophobicContact CG-CE2 3.62Å; Q24-F40 HydrophobicContact CG-CG 3.51Å; Q24-F40 HydrophobicContact CG-CZ 3.56Å; Q24-F40 VanDerWaalsContact NE2-CB 3.3Å; W38-F40 HydrophobicContact CB-CD2 4.38Å; W38-F40 HydrophobicContact CB-CE2 3.63Å; W38-F40 HydrophobicContact CB-CZ 4.18Å; W38-F40 HydrophobicContact CD2-CZ 4.39Å; W38-F40 HydrophobicContact CE3-CE1 4.34Å; W38-F40 HydrophobicContact CE3-CE2 4.38Å; W38-F40 AromaticContact CE3-CZ 3.75Å; W38-F40 HydrophobicContact CE3-CZ 3.75Å; W38-F40 HydrophobicContact CG-CE2 4.47Å
41	V	98.8	Very high	97.6	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	34%	0.341	C	S	.	.			trans	-123.6	157.6	-176.2	-57.6	0	0	0	0	112.6	L11 V12 T13 G14 G15 V39 D45 L57	L11-V41 HydrophobicContact CD1-CB 4.45Å; L11-V41 HydrophobicContact CD1-CG1 3.71Å; L11-V41 HydrophobicContact CD1-CG2 3.86Å; V12-V41 WeakPolarHBondContact O-CG2 3Å; V12-V41 PolarHBondContact O-N 3Å; T13-V41 HydrophobicContact CG2-CG2 4.34Å; G14-V41 PolarHBondContact N-O 3.13Å; G15-V41 PolarHBondContact N-O 3.38Å; V39-V41 HydrophobicContact CG1-CG1 4.12Å; V41-D45 HydrophobicContact CB-CB 4.01Å; V41-D45 HydrophobicContact CG1-CB 4.31Å; V41-L57 HydrophobicContact CG1-CD1 4.18Å; V41-L57 HydrophobicContact CG2-CD2 4.11Å
42	S	98.4	Very high	97.7	Very high	26 Å²	26	59.5 Å²	59.5	18%	0.182	36%	0.355	C	S	.	.			trans	-129.3	179	179.5	71.9	0	0	0	0	110.7	S16 K44 D45 A46	S16-S42 WeakPolarHBondContact OG-CB 3.4Å; S42-K44 PolarHBondContact O-N 2.91Å; S42-K44 VanDerWaalsContact O-N 3.13Å; S42-K44 WeakPolarHBondContact OG-CB 3.47Å; S42-K44 PolarHBondContact OG-N 2.82Å; S42-D45 WeakPolarHBondContact CA-OD2 3.42Å; S42-D45 PolarHBondContact N-OD2 2.83Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.4Å; S42-D45 PolarHBondContact OG-OD2 2.91Å; S42-A46 PolarHBondContact O-N 3.1Å
43	S	96.9	Very high	98	Very high	103 Å²	103	62.3 Å²	62.3	72%	0.72	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-11	172.7	57.2	0	0	0	0	114	D45	S43-D45 VanDerWaalsContact C-N 3.31Å
44	K	97.8	Very high	98.2	Very high	198 Å²	198	57.9 Å²	57.9	86%	0.861	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.9	171.5	-62.5	-177.1	179.1	-179.7	0	112.5	S42	S42-K44 PolarHBondContact O-N 2.91Å; S42-K44 VanDerWaalsContact O-N 3.13Å; S42-K44 WeakPolarHBondContact OG-CB 3.47Å; S42-K44 PolarHBondContact OG-N 2.82Å
45	D	98.5	Very high	98.3	Very high	96 Å²	96	56.8 Å²	56.8	51%	0.513	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-39	-178.6	-54.3	-80.8	0	0	0	111.1	V41 S42 S43	V41-D45 HydrophobicContact CB-CB 4.01Å; V41-D45 HydrophobicContact CG1-CB 4.31Å; S42-D45 WeakPolarHBondContact CA-OD2 3.42Å; S42-D45 PolarHBondContact N-OD2 2.83Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.4Å; S42-D45 PolarHBondContact OG-OD2 2.91Å; S43-D45 VanDerWaalsContact C-N 3.31Å
46	A	98.6	Very high	98.5	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.033	32%	0.317	C	S	.	.			trans	-160.4	139.2	171.2	0	0	0	0	0	111	S42 L48 Q53 L57	S42-A46 PolarHBondContact O-N 3.1Å; A46-L48 HydrophobicContact CB-CD2 4.35Å; A46-L48 PolarHBondContact O-N 2.98Å; A46-Q53 HydrophobicContact CB-CB 4.23Å; A46-L57 HydrophobicContact CB-CB 4.1Å; A46-L57 HydrophobicContact CB-CD2 3.99Å
47	D	98.7	Very high	98.6	Very high	71 Å²	71	56.5 Å²	56.5	38%	0.38	31%	0.314	S	S	.	.			trans	-76.3	106.2	163.6	-174.5	-11	0	0	0	109.6	T49 D50	D47-T49 PolarHBondContact O-N 3.36Å; D47-T49 WeakPolarHBondContact OD1-CB 3.24Å; D47-T49 PolarHBondContact OD1-N 2.9Å; D47-T49 PolarHBondContact OD1-OG1 3.31Å; D47-T49 PolarHBondContact OD2-OG1 3.2Å; D47-D50 WeakPolarHBondContact O-CB 3.49Å; D47-D50 PolarHBondContact O-N 2.9Å
48	L	98.8	Very high	98.6	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.089	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.1	-177.4	-60	176.9	0	0	0	113.7	T13 A46 T54 L57 A70 I93 N96 V97	T13-L48 HydrophobicContact CG2-CD1 4.07Å; A46-L48 HydrophobicContact CB-CD2 4.35Å; A46-L48 PolarHBondContact O-N 2.98Å; L48-T54 WeakPolarHBondContact CA-OG1 3.44Å; L48-T54 HydrophobicContact CD2-CG2 3.89Å; L48-L57 HydrophobicContact CD2-CD2 4.26Å; L48-A70 HydrophobicContact CD1-CB 3.47Å; L48-A70 VanDerWaalsContact CD1-CB 3.47Å; L48-I93 HydrophobicContact CB-CG1 4.17Å; L48-I93 HydrophobicContact CB-CG2 4.12Å; L48-I93 WeakPolarHBondContact O-CA 3.31Å; L48-N96 PolarHBondContact O-ND2 2.79Å; L48-V97 HydrophobicContact CB-CG2 4.49Å; L48-V97 HydrophobicContact CD1-CG2 4.05Å; L48-V97 HydrophobicContact CD2-CG2 4.18Å; L48-V97 HydrophobicContact CG-CG2 4.48Å
49	T	98.6	Very high	98.6	Very high	45 Å²	45	57.4 Å²	57.4	28%	0.276	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.4	168.3	67.7	0	0	0	0	112.5	D47 K89 I93 N96	D47-T49 PolarHBondContact O-N 3.36Å; D47-T49 WeakPolarHBondContact OD1-CB 3.24Å; D47-T49 PolarHBondContact OD1-N 2.9Å; D47-T49 PolarHBondContact OD1-OG1 3.31Å; D47-T49 PolarHBondContact OD2-OG1 3.2Å; T49-K89 HydrophobicContact CG2-CB 4.25Å; T49-K89 HydrophobicContact CG2-CG 4.29Å; T49-I93 HydrophobicContact CG2-CD1 3.8Å; T49-I93 HydrophobicContact CG2-CG1 3.67Å; T49-N96 PolarHBondContact O-ND2 3.44Å
50	D	98.8	Very high	98.6	Very high	63 Å²	63	64 Å²	64	34%	0.337	34%	0.344	S	S	.	.	S	Bend	trans	-98	122.5	177.1	-176.5	-82.6	0	0	0	110.9	D47 A52 Q53 T54	D47-D50 WeakPolarHBondContact O-CB 3.49Å; D47-D50 PolarHBondContact O-N 2.9Å; D50-A52 PolarHBondContact O-N 3.16Å; D50-A52 WeakPolarHBondContact OD1-CA 3.4Å; D50-A52 WeakPolarHBondContact OD1-CB 3.42Å; D50-A52 PolarHBondContact OD1-N 3.46Å; D50-Q53 HydrophobicContact CB-CB 4.18Å; D50-Q53 HydrophobicContact CB-CG 4.23Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.37Å; D50-Q53 PolarHBondContact OD1-N 2.81Å; D50-T54 WeakPolarHBondContact O-CB 3.43Å; D50-T54 PolarHBondContact O-N 3Å; D50-T54 PolarHBondContact O-OG1 3.44Å
51	A	98.8	Very high	98.6	Very high	47 Å²	47	62.3 Å²	62.3	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-36	-176.1	0	0	0	0	0	112.5	T54 R55 N96	A51-T54 PolarHBondContact O-N 3.36Å; A51-R55 WeakPolarHBondContact O-CB 2.87Å; A51-R55 PolarHBondContact O-N 2.94Å; A51-N96 WeakPolarHBondContact CB-OD1 3.36Å; A51-N96 PolarHBondContact N-ND2 3.38Å
52	A	98.8	Very high	98.6	Very high	65 Å²	65	68.9 Å²	68.9	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-70.9	-43.2	-178	0	0	0	0	0	111.3	D50 R55 A56	D50-A52 PolarHBondContact O-N 3.16Å; D50-A52 WeakPolarHBondContact OD1-CA 3.4Å; D50-A52 WeakPolarHBondContact OD1-CB 3.42Å; D50-A52 PolarHBondContact OD1-N 3.46Å; A52-R55 PolarHBondContact O-N 3.01Å; A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.21Å
53	Q	98.9	Very high	98.6	Very high	88 Å²	88	67.9 Å²	67.9	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-41.1	174.5	-70.5	-177.2	62.7	0	0	111.7	A46 D50 A56 L57	A46-Q53 HydrophobicContact CB-CB 4.23Å; D50-Q53 HydrophobicContact CB-CB 4.18Å; D50-Q53 HydrophobicContact CB-CG 4.23Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.37Å; D50-Q53 PolarHBondContact OD1-N 2.81Å; Q53-A56 PolarHBondContact O-N 3.3Å; Q53-L57 WeakPolarHBondContact O-CB 3.47Å; Q53-L57 PolarHBondContact O-N 3Å
54	T	98.9	Very high	98.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-48.8	176.5	-53.1	0	0	0	0	110.9	L48 D50 A51 A56 L57 F58 N96 V97	L48-T54 WeakPolarHBondContact CA-OG1 3.44Å; L48-T54 HydrophobicContact CD2-CG2 3.89Å; D50-T54 WeakPolarHBondContact O-CB 3.43Å; D50-T54 PolarHBondContact O-N 3Å; D50-T54 PolarHBondContact O-OG1 3.44Å; A51-T54 PolarHBondContact O-N 3.36Å; T54-A56 PolarHBondContact O-N 3.34Å; T54-L57 WeakPolarHBondContact O-CB 3.47Å; T54-L57 PolarHBondContact O-N 3.47Å; T54-F58 HydrophobicContact CG2-CD2 3.94Å; T54-F58 HydrophobicContact CG2-CE2 3.94Å; T54-F58 WeakPolarHBondContact O-CD2 3.35Å; T54-F58 PolarHBondContact O-N 3.12Å; T54-N96 HydrophobicContact CG2-CB 3.9Å; T54-V97 HydrophobicContact CG2-CG2 4.24Å
55	R	98.8	Very high	98.7	Very high	95 Å²	95	56.7 Å²	56.7	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-47.4	177	-177.5	176	-67.6	123.2	-4.3	111.8	A51 A52 L57 F58 E59 E103	A51-R55 WeakPolarHBondContact O-CB 2.87Å; A51-R55 PolarHBondContact O-N 2.94Å; A52-R55 PolarHBondContact O-N 3.01Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 2.9Å; R55-F58 PolarHBondContact O-N 3.33Å; R55-F58 VanDerWaalsContact O-N 3.09Å; R55-E59 WeakPolarHBondContact CD-OE1 3.37Å; R55-E59 HydrophobicContact CG-CG 4.23Å; R55-E59 WeakPolarHBondContact CG-OE1 3.39Å; R55-E59 WeakPolarHBondContact O-CG 3.28Å; R55-E59 PolarHBondContact O-N 3.26Å; R55-E103 IonicContact CZ-OE1 3.84Å; R55-E103 IonicContact CZ-OE2 3.66Å; R55-E103 IonicContact NE-OE1 3.78Å; R55-E103 IonicContact NE-OE2 2.95Å; R55-E103 PolarHBondContact NE-OE2 3.45Å; R55-E103 IonicContact NH2-OE1 3.02Å; R55-E103 PolarHBondContact NH2-OE1 3.4Å; R55-E103 IonicContact NH2-OE2 3.45Å; R55-E103 PolarHBondContact NH2-OE2 2.85Å
56	A	98.8	Very high	98.7	Very high	52 Å²	52	52.1 Å²	52.1	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-38.5	179	0	0	0	0	0	112.6	A52 Q53 T54 K60	A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.21Å; Q53-A56 PolarHBondContact O-N 3.3Å; T54-A56 PolarHBondContact O-N 3.34Å; A56-K60 VanDerWaalsContact O-CB 3.32Å; A56-K60 WeakPolarHBondContact O-CB 3.42Å; A56-K60 PolarHBondContact O-N 3.34Å
57	L	98.9	Very high	98.7	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-46.8	173.8	172.8	64.9	0	0	0	111.5	V41 A46 L48 Q53 T54 R55 K60 V61	V41-L57 HydrophobicContact CG1-CD1 4.18Å; V41-L57 HydrophobicContact CG2-CD2 4.11Å; A46-L57 HydrophobicContact CB-CB 4.1Å; A46-L57 HydrophobicContact CB-CD2 3.99Å; L48-L57 HydrophobicContact CD2-CD2 4.26Å; Q53-L57 WeakPolarHBondContact O-CB 3.47Å; Q53-L57 PolarHBondContact O-N 3Å; T54-L57 WeakPolarHBondContact O-CB 3.47Å; T54-L57 PolarHBondContact O-N 3.47Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 2.9Å; L57-K60 PolarHBondContact O-N 2.98Å; L57-V61 HydrophobicContact CD1-CG2 3.87Å; L57-V61 WeakPolarHBondContact O-CB 3.16Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.26Å
58	F	98.8	Very high	98.8	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-37	-179.9	-88.4	-100.6	0	0	0	112.6	L11 T54 R55 R62 P63 V66 V97 A101 V104	L11-F58 HydrophobicContact CD2-CD1 4.34Å; L11-F58 HydrophobicContact CD2-CD2 4.14Å; L11-F58 HydrophobicContact CD2-CE1 3.93Å; L11-F58 HydrophobicContact CD2-CE2 3.74Å; L11-F58 HydrophobicContact CD2-CG 4.43Å; L11-F58 HydrophobicContact CD2-CZ 3.63Å; T54-F58 HydrophobicContact CG2-CD2 3.94Å; T54-F58 HydrophobicContact CG2-CE2 3.94Å; T54-F58 WeakPolarHBondContact O-CD2 3.35Å; T54-F58 PolarHBondContact O-N 3.12Å; R55-F58 PolarHBondContact O-N 3.33Å; R55-F58 VanDerWaalsContact O-N 3.09Å; F58-R62 WeakPolarHBondContact O-CA 3.49Å; F58-R62 PolarHBondContact O-N 2.96Å; F58-P63 HydrophobicContact CD1-CG 3.67Å; F58-P63 HydrophobicContact CE1-CG 3.82Å; F58-V66 HydrophobicContact CE1-CG2 3.82Å; F58-V66 HydrophobicContact CZ-CG1 4.37Å; F58-V66 HydrophobicContact CZ-CG2 4.26Å; F58-V97 HydrophobicContact CE2-CG1 4.45Å; F58-V97 HydrophobicContact CZ-CG1 4.05Å; F58-A101 HydrophobicContact CD1-CB 4.43Å; F58-A101 VanDerWaalsContact CE1-CA 3.49Å; F58-A101 HydrophobicContact CE1-CB 3.65Å; F58-A101 HydrophobicContact CZ-CB 4.29Å; F58-V104 HydrophobicContact CB-CG1 4Å; F58-V104 HydrophobicContact CD1-CG2 3.98Å
59	E	98.6	Very high	98.8	Very high	121 Å²	121	48.9 Å²	48.9	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-65.8	-37.5	173.2	-73.7	175	179.7	0	0	112.5	R55 R62	R55-E59 WeakPolarHBondContact CD-OE1 3.37Å; R55-E59 HydrophobicContact CG-CG 4.23Å; R55-E59 WeakPolarHBondContact CG-OE1 3.39Å; R55-E59 WeakPolarHBondContact O-CG 3.28Å; R55-E59 PolarHBondContact O-N 3.26Å; E59-R62 WeakPolarHBondContact O-CG 3.11Å
60	K	98.5	Very high	98.8	Very high	177 Å²	177	47.4 Å²	47.4	77%	0.77	25%	0.246	S	C	*	.	H	α-helix	trans	-70.2	-47.1	176.5	179.9	-177.8	177.4	-175.8	0	111.8	A56 L57	A56-K60 VanDerWaalsContact O-CB 3.32Å; A56-K60 WeakPolarHBondContact O-CB 3.42Å; A56-K60 PolarHBondContact O-N 3.34Å; L57-K60 PolarHBondContact O-N 2.98Å
61	V	98.6	Very high	98.7	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.085	24%	0.241	C	C	.	.	H	α-helix	trans	-80.3	-36	-174.6	177.2	0	0	0	0	111.1	R9 L11 V39 L57 P63	R9-V61 WeakPolarHBondContact CD-O 3.37Å; R9-V61 HydrophobicContact CG-CG1 4.23Å; R9-V61 PolarHBondContact NH1-O 2.86Å; L11-V61 HydrophobicContact CB-CG1 4.36Å; L11-V61 HydrophobicContact CD1-CG1 4.42Å; V39-V61 HydrophobicContact CB-CG1 4.29Å; V39-V61 HydrophobicContact CG1-CG1 4.31Å; V39-V61 HydrophobicContact CG1-CG2 4.18Å; V39-V61 HydrophobicContact CG2-CG1 4.17Å; L57-V61 HydrophobicContact CD1-CG2 3.87Å; L57-V61 WeakPolarHBondContact O-CB 3.16Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.26Å; V61-P63 HydrophobicContact CG1-CB 4.38Å
62	R	98.3	Very high	98.5	Very high	147 Å²	147	45.2 Å²	45.2	56%	0.555	23%	0.231	S	C	*	.			trans	49.7	56.8	-173.2	-61.3	-78.7	-69.6	159.5	4.8	112.1	F58 E59	F58-R62 WeakPolarHBondContact O-CA 3.49Å; F58-R62 PolarHBondContact O-N 2.96Å; E59-R62 WeakPolarHBondContact O-CG 3.11Å
63	P	98.6	Very high	98.1	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.026	23%	0.226	C	C	.	.			trans	-67.1	140.7	-177.8	28.7	-34.8	0	0	0	111.9	L11 F58 V61 V66 V104	L11-P63 HydrophobicContact CB-CB 3.69Å; L11-P63 HydrophobicContact CB-CG 4.1Å; L11-P63 HydrophobicContact CD2-CG 4.14Å; F58-P63 HydrophobicContact CD1-CG 3.67Å; F58-P63 HydrophobicContact CE1-CG 3.82Å; V61-P63 HydrophobicContact CG1-CB 4.38Å; P63-V66 HydrophobicContact CB-CG2 4.22Å; P63-V66 HydrophobicContact CG-CG2 4.12Å; P63-V104 HydrophobicContact CG-CG2 4.24Å
64	T	98.7	Very high	97.1	Very high	40 Å²	40	41.9 Å²	41.9	25%	0.245	21%	0.212	C	C	.	.	S	Bend	trans	-84.1	-26.4	164.9	60.4	0	0	0	0	111.4	R9 A106 C107	R9-T64 PolarHBondContact N-OG1 3.09Å; R9-T64 PolarHBondContact O-N 3.16Å; R9-T64 PolarHBondContact O-OG1 3.3Å; T64-A106 CarbonylContact O-C 3.57Å; T64-C107 WeakPolarHBondContact O-CB 3.43Å; T64-C107 PolarHBondContact O-N 3.48Å
65	H	98.9	Very high	96.2	Very high	26 Å²	26	42 Å²	42	12%	0.12	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145	-173.5	-73.5	74	0	0	0	109.2	M8 R9 I10 L11 K108 L231	M8-H65 HydrophobicContact CG-CB 4.35Å; M8-H65 VanDerWaalsContact CG-ND1 3.28Å; M8-H65 WeakPolarHBondContact CG-ND1 3.43Å; M8-H65 HydrophobicContact SD-CB 4.46Å; R9-H65 PolarHBondContact O-N 3.33Å; I10-H65 CarbonylContact C-O 3.59Å; I10-H65 WeakPolarHBondContact CA-O 3.41Å; I10-H65 HydrophobicContact CB-CB 4.49Å; I10-H65 HydrophobicContact CG1-CB 4.05Å; I10-H65 HydrophobicContact CG2-CB 4.49Å; L11-H65 PolarHBondContact N-O 2.88Å; H65-K108 WeakPolarHBondContact CA-O 3.27Å; H65-L231 HydrophobicContact CB-CD1 4.15Å; H65-L231 HydrophobicContact CB-CD2 4.43Å
66	V	98.9	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.2	178.9	-173.7	0	0	0	0	110.5	L11 F58 P63 H68 V97 A101 A106 K108 V109 V110	L11-V66 CarbonylContact O-C 3.59Å; L11-V66 VanDerWaalsContact O-CA 3.3Å; L11-V66 WeakPolarHBondContact O-CA 3.34Å; F58-V66 HydrophobicContact CE1-CG2 3.82Å; F58-V66 HydrophobicContact CZ-CG1 4.37Å; F58-V66 HydrophobicContact CZ-CG2 4.26Å; P63-V66 HydrophobicContact CB-CG2 4.22Å; P63-V66 HydrophobicContact CG-CG2 4.12Å; V66-H68 HydrophobicContact CG1-CB 4.47Å; V66-V97 HydrophobicContact CG1-CG1 4.42Å; V66-A101 HydrophobicContact CG2-CB 4.03Å; V66-A106 HydrophobicContact CG2-CB 4.33Å; V66-K108 PolarHBondContact N-O 2.98Å; V66-V109 HydrophobicContact CB-CB 4.42Å; V66-V109 HydrophobicContact CB-CG1 4.08Å; V66-V109 HydrophobicContact CB-CG2 4.02Å; V66-V109 HydrophobicContact CG1-CG1 4.36Å; V66-V109 HydrophobicContact CG2-CG2 4.19Å; V66-V109 CarbonylContact O-C 3.53Å; V66-V109 WeakPolarHBondContact O-CA 3.28Å; V66-V110 PolarHBondContact O-N 3.31Å
67	I	98.9	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	162.1	-61.5	173.4	0	0	0	107.5	I10 L11 V12 T13 I23 W38 L69 V110 F227 L231	I10-I67 HydrophobicContact CG2-CD1 4.39Å; I10-I67 HydrophobicContact CG2-CG1 4.47Å; L11-I67 PolarHBondContact O-N 3.49Å; V12-I67 WeakPolarHBondContact CA-O 3.42Å; V12-I67 HydrophobicContact CG1-CB 4.28Å; V12-I67 HydrophobicContact CG1-CG2 4.42Å; V12-I67 HydrophobicContact CG2-CB 4.25Å; V12-I67 HydrophobicContact CG2-CD1 4.41Å; T13-I67 PolarHBondContact N-O 2.92Å; I23-I67 HydrophobicContact CD1-CD1 4.41Å; I23-I67 HydrophobicContact CD1-CG2 4.31Å; W38-I67 HydrophobicContact CH2-CD1 4.09Å; W38-I67 HydrophobicContact CZ3-CD1 3.74Å; I67-L69 HydrophobicContact CG2-CD1 4.31Å; I67-L69 HydrophobicContact CG2-CD2 3.58Å; I67-L69 HydrophobicContact CG2-CG 3.81Å; I67-V110 WeakPolarHBondContact CA-O 3.45Å; I67-F227 HydrophobicContact CG2-CD1 3.78Å; I67-F227 HydrophobicContact CG2-CE1 3.77Å; I67-L231 HydrophobicContact CD1-CD2 3.89Å; I67-L231 HydrophobicContact CG1-CD1 4.1Å; I67-L231 HydrophobicContact CG1-CD2 4.09Å
68	H	98.9	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	94.6	-176	-179.6	39.3	0	0	0	112.2	T13 V66 A70 N94 V97 V110 C112	T13-H68 VanDerWaalsContact OG1-CA 3.31Å; T13-H68 WeakPolarHBondContact OG1-CA 3.47Å; T13-H68 PolarHBondContact OG1-ND1 3.11Å; V66-H68 HydrophobicContact CG1-CB 4.47Å; H68-A70 PolarHBondContact CE1-O 3.24Å; H68-N94 PolarHBondContact NE2-OD1 2.92Å; H68-V97 HydrophobicContact CB-CG1 4.12Å; H68-V110 PolarHBondContact N-O 3.36Å; H68-C112 PolarHBondContact O-N 2.96Å
69	L	98.9	Very high	92.5	Very high	24 Å²	24	46.7 Å²	46.7	13%	0.126	23%	0.227	C	C	.	.			trans	-104.8	-17.4	178.9	-43.8	172.4	0	0	0	113.1	V12 T13 V19 I23 I67 A71 C112 F227	V12-L69 HydrophobicContact CG1-CD1 3.77Å; V12-L69 HydrophobicContact CG1-CG 4.35Å; T13-L69 WeakPolarHBondContact O-CA 3.41Å; T13-L69 WeakPolarHBondContact O-CB 3.41Å; T13-L69 PolarHBondContact O-N 3.41Å; T13-L69 VanDerWaalsContact O-N 3.16Å; T13-L69 PolarHBondContact OG1-N 2.9Å; V19-L69 HydrophobicContact CB-CD1 4.07Å; V19-L69 HydrophobicContact CG1-CD1 3.89Å; V19-L69 HydrophobicContact CG1-CD2 3.92Å; I23-L69 HydrophobicContact CD1-CD1 4.02Å; I67-L69 HydrophobicContact CG2-CD1 4.31Å; I67-L69 HydrophobicContact CG2-CD2 3.58Å; I67-L69 HydrophobicContact CG2-CG 3.81Å; L69-A71 PolarHBondContact O-N 2.81Å; L69-C112 HydrophobicContact CD2-CB 4.03Å; L69-F227 HydrophobicContact CD2-CE1 3.77Å; L69-F227 HydrophobicContact CD2-CE2 4.07Å; L69-F227 HydrophobicContact CD2-CZ 3.47Å; L69-F227 VanDerWaalsContact CD2-CZ 3.47Å
70	A	98.5	Very high	91.8	Very high	14 Å²	14	45 Å²	45	12%	0.116	22%	0.22	C	C	.	.			trans	-62.9	132.9	-177.1	0	0	0	0	0	111.5	T13 L48 H68 I93	T13-A70 PolarHBondContact O-N 3.27Å; T13-A70 PolarHBondContact OG1-N 3.14Å; L48-A70 HydrophobicContact CD1-CB 3.47Å; L48-A70 VanDerWaalsContact CD1-CB 3.47Å; H68-A70 PolarHBondContact CE1-O 3.24Å; A70-I93 HydrophobicContact CB-CG2 4.5Å
71	A	97.6	Very high	91.2	Very high	29 Å²	29	43.6 Å²	43.6	24%	0.24	22%	0.215	C	C	.	.			trans	-157.8	154.2	175.3	0	0	0	0	0	109.3	L69 V73 N90	L69-A71 PolarHBondContact O-N 2.81Å; A71-V73 PolarHBondContact O-N 3.49Å; A71-N90 WeakPolarHBondContact CA-OD1 3.4Å; A71-N90 WeakPolarHBondContact CB-OD1 3.49Å
72	M	95.6	Very high	91	Very high	35 Å²	35	47.1 Å²	47.1	17%	0.172	23%	0.227	C	C	.	.			trans	-76.5	111.9	157.7	177.7	-179.2	171.3	0	0	107.7	D85 F86 K89 N90	M72-D85 HydrophobicContact CE-CB 4.15Å; M72-F86 HydrophobicContact CE-CD1 4.4Å; M72-F86 HydrophobicContact CE-CD2 4.29Å; M72-F86 HydrophobicContact CE-CE1 4.28Å; M72-F86 HydrophobicContact CE-CE2 4.12Å; M72-F86 HydrophobicContact CE-CG 4.42Å; M72-F86 HydrophobicContact CE-CZ 4.13Å; M72-F86 HydrophobicContact CG-CD1 4.1Å; M72-F86 HydrophobicContact CG-CE1 3.98Å; M72-F86 WeakPolarHBondContact O-CD1 3.48Å; M72-F86 WeakPolarHBondContact O-CE1 3.36Å; M72-F86 HydrophobicContact SD-CD1 4.44Å; M72-K89 HydrophobicContact CB-CB 4.34Å; M72-K89 HydrophobicContact SD-CB 3.96Å; M72-K89 HydrophobicContact SD-CD 3.37Å; M72-K89 WeakPolarHBondContact SD-CD 3.28Å; M72-K89 HydrophobicContact SD-CG 4.2Å; M72-N90 PolarHBondContact N-OD1 3.24Å; M72-N90 PolarHBondContact O-ND2 2.82Å
73	V	88.7	Confident	90.8	Very high	73 Å²	73	41.1 Å²	41.1	44%	0.442	21%	0.206	S	C	.	.			trans	-124.6	152.8	-172.7	55.6	0	0	0	0	111.3	A71	A71-V73 PolarHBondContact O-N 3.49Å
74	G	78.9	Confident	90.8	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	23%	0.233	C	C	.	.			trans	-166.6	170.1	171.2	0	0	0	0	0	110.9	N79	G74-N79 PolarHBondContact O-ND2 3.05Å
75	G	78.8	Confident	90.8	Very high	3 Å²	3	48 Å²	48	3%	0.031	24%	0.24	C	C	.	.			trans	-68.8	178.9	173.6	0	0	0	0	0	113.2	F77 R78 N79 D184	G75-F77 VanDerWaalsContact C-N 3.35Å; G75-F77 PolarHBondContact O-N 3.43Å; G75-R78 PolarHBondContact O-N 3.2Å; G75-N79 PolarHBondContact O-N 2.94Å; G75-N79 PolarHBondContact O-ND2 2.97Å; G75-D184 WeakPolarHBondContact CA-O 3.49Å; G75-D184 PolarHBondContact N-O 2.87Å
76	L	75.8	Confident	90.7	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.356	23%	0.234	S	C	.	.	H	α-helix	trans	-53.9	-48.5	-174.4	177.7	61.2	0	0	0	112.4	R78 N79 I80	L76-R78 PolarHBondContact O-N 3.29Å; L76-N79 PolarHBondContact O-N 3.27Å; L76-I80 HydrophobicContact CD1-CD1 4.08Å; L76-I80 HydrophobicContact CD1-CG1 4.47Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CG1 3.47Å; L76-I80 PolarHBondContact O-N 3.39Å
77	F	76.4	Confident	90.7	Very high	96 Å²	96	51.1 Å²	51.1	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-38.3	-175	-60	-70.8	0	0	0	112.7	G75 W208	G75-F77 VanDerWaalsContact C-N 3.35Å; G75-F77 PolarHBondContact O-N 3.43Å; F77-W208 HydrophobicContact CD2-CZ3 4.13Å; F77-W208 AromaticContact CE2-CE3 3.7Å; F77-W208 HydrophobicContact CE2-CE3 3.7Å; F77-W208 AromaticContact CE2-CZ3 3.45Å; F77-W208 HydrophobicContact CE2-CZ3 3.45Å; F77-W208 VanDerWaalsContact CE2-CZ3 3.45Å; F77-W208 HydrophobicContact CZ-CE3 4.02Å; F77-W208 HydrophobicContact CZ-CZ3 4.04Å
78	R	82.1	Confident	90.7	Very high	91 Å²	91	58 Å²	58	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-41.4	177	-171	169	175.9	169.4	-3.2	112.1	G75 L76 I80 K81 Y82 F86 D184	G75-R78 PolarHBondContact O-N 3.2Å; L76-R78 PolarHBondContact O-N 3.29Å; R78-I80 PolarHBondContact O-N 3.16Å; R78-K81 PolarHBondContact O-N 3.35Å; R78-Y82 HydrophobicContact CG-CD2 4.2Å; R78-Y82 WeakPolarHBondContact O-CD2 3.43Å; R78-Y82 PolarHBondContact O-N 3.38Å; R78-F86 HydrophobicContact CG-CE2 4.19Å; R78-F86 HydrophobicContact CG-CZ 4.14Å; R78-F86 WeakPolarHBondContact O-CE2 3.24Å; R78-D184 IonicContact CZ-OD2 3.23Å; R78-D184 IonicContact NH1-OD2 2.87Å; R78-D184 PolarHBondContact NH1-OD2 2.99Å
79	N	84.4	Confident	90.7	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-42.3	178.3	-80.3	-94.1	0	0	0	112.6	G74 G75 L76 K81 Y82 N83 F86 S139 N140 Y143	G74-N79 PolarHBondContact O-ND2 3.05Å; G75-N79 PolarHBondContact O-N 2.94Å; G75-N79 PolarHBondContact O-ND2 2.97Å; L76-N79 PolarHBondContact O-N 3.27Å; N79-K81 PolarHBondContact O-N 3.47Å; N79-Y82 PolarHBondContact O-N 2.73Å; N79-N83 PolarHBondContact O-ND2 3.32Å; N79-F86 HydrophobicContact CB-CE2 4.35Å; N79-S139 CarbonylContact C-O 3.58Å; N79-N140 HydrophobicContact CB-CB 3.63Å; N79-Y143 WeakPolarHBondContact OD1-CB 3.37Å
80	I	82.9	Confident	90.7	Very high	84 Å²	84	61.5 Å²	61.5	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-55.1	-43	178.9	-69.7	165.1	0	0	0	111.3	L76 R78 N83 S139	L76-I80 HydrophobicContact CD1-CD1 4.08Å; L76-I80 HydrophobicContact CD1-CG1 4.47Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CG1 3.47Å; L76-I80 PolarHBondContact O-N 3.39Å; R78-I80 PolarHBondContact O-N 3.16Å; I80-N83 PolarHBondContact O-ND2 3.45Å; I80-S139 WeakPolarHBondContact CA-O 3.5Å; I80-S139 WeakPolarHBondContact CG1-O 3.48Å; I80-S139 PolarHBondContact N-O 2.7Å
81	K	87.2	Confident	90.7	Very high	149 Å²	149	62.7 Å²	62.7	65%	0.648	30%	0.297	S	S	*	.	H	α-helix	trans	-74.9	-28	-172.8	-170.2	173.3	176.6	-165.5	0	114.1	R78 N79	R78-K81 PolarHBondContact O-N 3.35Å; N79-K81 PolarHBondContact O-N 3.47Å
82	Y	93.8	Very high	90.7	Very high	88 Å²	88	65.4 Å²	65.4	35%	0.345	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	36.1	-165.5	-59.1	-72.9	0	0	0	114.3	R78 N79 L84 D85 F86	R78-Y82 HydrophobicContact CG-CD2 4.2Å; R78-Y82 WeakPolarHBondContact O-CD2 3.43Å; R78-Y82 PolarHBondContact O-N 3.38Å; N79-Y82 PolarHBondContact O-N 2.73Å; Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 3.36Å; Y82-L84 VanDerWaalsContact O-N 3.13Å; Y82-D85 PolarHBondContact O-N 3.04Å; Y82-F86 VanDerWaalsContact O-CD2 3.31Å; Y82-F86 WeakPolarHBondContact O-CD2 3.46Å; Y82-F86 PolarHBondContact O-N 3.18Å
83	N	95.2	Very high	90.9	Very high	21 Å²	21	64.3 Å²	64.3	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-51.1	-39.5	-175.4	-87.2	-74	0	0	0	114.4	N79 I80 W87 N140 F141 G142	N79-N83 PolarHBondContact O-ND2 3.32Å; I80-N83 PolarHBondContact O-ND2 3.45Å; N83-W87 WeakPolarHBondContact O-CB 3.47Å; N83-W87 PolarHBondContact O-N 3.4Å; N83-N140 VanDerWaalsContact OD1-C 3.32Å; N83-F141 HydrophobicContact CB-CD1 4.26Å; N83-F141 HydrophobicContact CB-CE1 3.65Å; N83-F141 HydrophobicContact CB-CZ 3.8Å; N83-F141 VanDerWaalsContact CG-CE1 3.4Å; N83-F141 WeakPolarHBondContact OD1-CD1 3.42Å; N83-F141 PolarHBondContact OD1-N 2.9Å; N83-F141 VanDerWaalsContact OD1-N 3.13Å; N83-G142 PolarHBondContact OD1-N 3.35Å
84	L	98	Very high	91.4	Very high	115 Å²	115	60.9 Å²	60.9	60%	0.602	28%	0.278	S	S	*	.	H	α-helix	trans	-64.4	-45	176.9	179.6	61.7	0	0	0	112.3	Y82 W87 R88	Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 3.36Å; Y82-L84 VanDerWaalsContact O-N 3.13Å; L84-W87 PolarHBondContact O-N 3.48Å; L84-R88 HydrophobicContact CD1-CG 3.95Å; L84-R88 HydrophobicContact CG-CG 4.49Å; L84-R88 WeakPolarHBondContact O-CG 3.44Å; L84-R88 PolarHBondContact O-N 3.01Å
85	D	97.7	Very high	92.3	Very high	72 Å²	72	64 Å²	64	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-44.3	179.9	-62.7	-26	0	0	0	110.8	M72 Y82 W87 R88 K89	M72-D85 HydrophobicContact CE-CB 4.15Å; Y82-D85 PolarHBondContact O-N 3.04Å; D85-W87 VanDerWaalsContact C-N 3.32Å; D85-W87 PolarHBondContact O-N 2.96Å; D85-R88 PolarHBondContact O-N 3.2Å; D85-K89 VanDerWaalsContact O-CB 3.28Å; D85-K89 WeakPolarHBondContact O-CB 3.4Å; D85-K89 PolarHBondContact O-N 3.06Å
86	F	97.5	Very high	93.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-42.2	175.7	-85.5	-76.6	0	0	0	111.9	M72 R78 N79 Y82 N90 Y143	M72-F86 HydrophobicContact CE-CD1 4.4Å; M72-F86 HydrophobicContact CE-CD2 4.29Å; M72-F86 HydrophobicContact CE-CE1 4.28Å; M72-F86 HydrophobicContact CE-CE2 4.12Å; M72-F86 HydrophobicContact CE-CG 4.42Å; M72-F86 HydrophobicContact CE-CZ 4.13Å; M72-F86 HydrophobicContact CG-CD1 4.1Å; M72-F86 HydrophobicContact CG-CE1 3.98Å; M72-F86 WeakPolarHBondContact O-CD1 3.48Å; M72-F86 WeakPolarHBondContact O-CE1 3.36Å; M72-F86 HydrophobicContact SD-CD1 4.44Å; R78-F86 HydrophobicContact CG-CE2 4.19Å; R78-F86 HydrophobicContact CG-CZ 4.14Å; R78-F86 WeakPolarHBondContact O-CE2 3.24Å; N79-F86 HydrophobicContact CB-CE2 4.35Å; Y82-F86 VanDerWaalsContact O-CD2 3.31Å; Y82-F86 WeakPolarHBondContact O-CD2 3.46Å; Y82-F86 PolarHBondContact O-N 3.18Å; F86-N90 VanDerWaalsContact O-CB 3.28Å; F86-N90 WeakPolarHBondContact O-CB 3.13Å; F86-N90 PolarHBondContact O-N 3.48Å; F86-N90 PolarHBondContact O-ND2 2.86Å; F86-Y143 AromaticContact CD1-CD2 3.99Å; F86-Y143 HydrophobicContact CD1-CD2 3.99Å; F86-Y143 HydrophobicContact CD1-CG 4.49Å
87	W	98.6	Very high	94.4	Very high	93 Å²	93	61.5 Å²	61.5	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-60.8	175	168.4	-103.2	0	0	0	111.3	N83 L84 D85 K89 N90 V91 G142 A146 M149	N83-W87 WeakPolarHBondContact O-CB 3.47Å; N83-W87 PolarHBondContact O-N 3.4Å; L84-W87 PolarHBondContact O-N 3.48Å; D85-W87 VanDerWaalsContact C-N 3.32Å; D85-W87 PolarHBondContact O-N 2.96Å; W87-K89 PolarHBondContact O-N 3.22Å; W87-N90 PolarHBondContact O-N 3.28Å; W87-V91 HydrophobicContact CD2-CG2 3.86Å; W87-V91 HydrophobicContact CE3-CG2 3.84Å; W87-V91 HydrophobicContact CH2-CG2 3.87Å; W87-V91 HydrophobicContact CZ2-CG2 3.88Å; W87-V91 HydrophobicContact CZ3-CG2 3.83Å; W87-V91 WeakPolarHBondContact O-CB 3.28Å; W87-V91 VanDerWaalsContact O-CG2 3.31Å; W87-V91 WeakPolarHBondContact O-CG2 3.35Å; W87-V91 PolarHBondContact O-N 2.71Å; W87-G142 WeakPolarHBondContact CA-O 3.45Å; W87-A146 HydrophobicContact CE3-CB 3.89Å; W87-A146 HydrophobicContact CZ3-CB 4.29Å; W87-M149 HydrophobicContact CH2-CG 3.94Å; W87-M149 HydrophobicContact CZ3-CG 4.13Å
88	R	98.7	Very high	95.5	Very high	143 Å²	143	57 Å²	57	54%	0.54	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-47	-171.4	-69.2	-169.8	70.5	177	2	112.2	L84 D85 H92	L84-R88 HydrophobicContact CD1-CG 3.95Å; L84-R88 HydrophobicContact CG-CG 4.49Å; L84-R88 WeakPolarHBondContact O-CG 3.44Å; L84-R88 PolarHBondContact O-N 3.01Å; D85-R88 PolarHBondContact O-N 3.2Å; R88-H92 PolarHBondContact O-N 3.46Å
89	K	98.6	Very high	96.3	Very high	99 Å²	99	55.8 Å²	55.8	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-44.3	-177.3	-72.7	-177.4	164.1	-164.3	0	111.7	T49 M72 D85 W87 H92 I93	T49-K89 HydrophobicContact CG2-CB 4.25Å; T49-K89 HydrophobicContact CG2-CG 4.29Å; M72-K89 HydrophobicContact CB-CB 4.34Å; M72-K89 HydrophobicContact SD-CB 3.96Å; M72-K89 HydrophobicContact SD-CD 3.37Å; M72-K89 WeakPolarHBondContact SD-CD 3.28Å; M72-K89 HydrophobicContact SD-CG 4.2Å; D85-K89 VanDerWaalsContact O-CB 3.28Å; D85-K89 WeakPolarHBondContact O-CB 3.4Å; D85-K89 PolarHBondContact O-N 3.06Å; W87-K89 PolarHBondContact O-N 3.22Å; K89-H92 PolarHBondContact O-N 3.45Å; K89-I93 WeakPolarHBondContact O-CB 3.48Å; K89-I93 WeakPolarHBondContact O-CD1 3.4Å; K89-I93 WeakPolarHBondContact O-CG1 3.4Å; K89-I93 PolarHBondContact O-N 2.91Å
90	N	98.8	Very high	97	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.7	-38.8	179.4	-73.8	-69.2	0	0	0	112	A71 M72 F86 W87 H92 I93 N94 A146	A71-N90 WeakPolarHBondContact CA-OD1 3.4Å; A71-N90 WeakPolarHBondContact CB-OD1 3.49Å; M72-N90 PolarHBondContact N-OD1 3.24Å; M72-N90 PolarHBondContact O-ND2 2.82Å; F86-N90 VanDerWaalsContact O-CB 3.28Å; F86-N90 WeakPolarHBondContact O-CB 3.13Å; F86-N90 PolarHBondContact O-N 3.48Å; F86-N90 PolarHBondContact O-ND2 2.86Å; W87-N90 PolarHBondContact O-N 3.28Å; N90-H92 PolarHBondContact O-N 2.82Å; N90-I93 PolarHBondContact O-N 3.48Å; N90-N94 VanDerWaalsContact O-CB 3.32Å; N90-N94 WeakPolarHBondContact O-CB 3.45Å; N90-N94 PolarHBondContact O-N 2.93Å; N90-N94 PolarHBondContact O-ND2 3.2Å; N90-N94 PolarHBondContact O-OD1 2.83Å; N90-A146 HydrophobicContact CB-CB 3.68Å
91	V	98.9	Very high	97.7	Very high	39 Å²	39	51.6 Å²	51.6	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.6	170.1	0	0	0	0	110.8	W87 N94 D95 A146	W87-V91 HydrophobicContact CD2-CG2 3.86Å; W87-V91 HydrophobicContact CE3-CG2 3.84Å; W87-V91 HydrophobicContact CH2-CG2 3.87Å; W87-V91 HydrophobicContact CZ2-CG2 3.88Å; W87-V91 HydrophobicContact CZ3-CG2 3.83Å; W87-V91 WeakPolarHBondContact O-CB 3.28Å; W87-V91 VanDerWaalsContact O-CG2 3.31Å; W87-V91 WeakPolarHBondContact O-CG2 3.35Å; W87-V91 PolarHBondContact O-N 2.71Å; V91-N94 PolarHBondContact O-N 3.22Å; V91-D95 VanDerWaalsContact O-CB 3.28Å; V91-D95 WeakPolarHBondContact O-CB 3.47Å; V91-D95 PolarHBondContact O-N 3.2Å; V91-A146 HydrophobicContact CG2-CB 3.85Å
92	H	98.9	Very high	98.3	Very high	85 Å²	85	47.2 Å²	47.2	39%	0.394	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-44.2	176.6	-67	163.4	0	0	0	112.8	R88 K89 N90 N94 D95 N96	R88-H92 PolarHBondContact O-N 3.46Å; K89-H92 PolarHBondContact O-N 3.45Å; N90-H92 PolarHBondContact O-N 2.82Å; H92-N94 VanDerWaalsContact C-N 3.32Å; H92-N94 PolarHBondContact O-N 3.12Å; H92-D95 PolarHBondContact O-N 3.27Å; H92-N96 WeakPolarHBondContact O-CB 3.27Å; H92-N96 PolarHBondContact O-N 3.24Å; H92-N96 PolarHBondContact O-ND2 2.78Å; H92-N96 VanDerWaalsContact O-ND2 3.15Å
93	I	98.9	Very high	98.5	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-49.4	176.3	-71.5	162.7	0	0	0	110.6	L48 T49 A70 K89 N90 V97	L48-I93 HydrophobicContact CB-CG1 4.17Å; L48-I93 HydrophobicContact CB-CG2 4.12Å; L48-I93 WeakPolarHBondContact O-CA 3.31Å; T49-I93 HydrophobicContact CG2-CD1 3.8Å; T49-I93 HydrophobicContact CG2-CG1 3.67Å; A70-I93 HydrophobicContact CB-CG2 4.5Å; K89-I93 WeakPolarHBondContact O-CB 3.48Å; K89-I93 WeakPolarHBondContact O-CD1 3.4Å; K89-I93 WeakPolarHBondContact O-CG1 3.4Å; K89-I93 PolarHBondContact O-N 2.91Å; N90-I93 PolarHBondContact O-N 3.48Å; I93-V97 WeakPolarHBondContact O-CB 3.42Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.4Å; I93-V97 PolarHBondContact O-N 2.7Å
94	N	98.9	Very high	98.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-46.6	-176.3	-60.5	-22.6	0	0	0	110.9	H68 N90 V91 H92 V97 L98 A146 I150	H68-N94 PolarHBondContact NE2-OD1 2.92Å; N90-N94 VanDerWaalsContact O-CB 3.32Å; N90-N94 WeakPolarHBondContact O-CB 3.45Å; N90-N94 PolarHBondContact O-N 2.93Å; N90-N94 PolarHBondContact O-ND2 3.2Å; N90-N94 PolarHBondContact O-OD1 2.83Å; V91-N94 PolarHBondContact O-N 3.22Å; H92-N94 VanDerWaalsContact C-N 3.32Å; H92-N94 PolarHBondContact O-N 3.12Å; N94-V97 PolarHBondContact O-N 3.24Å; N94-L98 WeakPolarHBondContact O-CB 3.13Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.38Å; N94-L98 PolarHBondContact O-N 2.78Å; N94-A146 PolarHBondContact ND2-O 3.31Å; N94-I150 HydrophobicContact CB-CD1 4.47Å; N94-I150 HydrophobicContact CB-CG1 3.98Å; N94-I150 VanDerWaalsContact ND2-CG1 3.34Å; N94-I150 WeakPolarHBondContact ND2-CG1 3.2Å
95	D	98.9	Very high	98.7	Very high	76 Å²	76	44.3 Å²	44.3	41%	0.406	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-50.2	178.9	-176.9	62.1	0	0	0	111.1	V91 H92 V97 L98 H99	V91-D95 VanDerWaalsContact O-CB 3.28Å; V91-D95 WeakPolarHBondContact O-CB 3.47Å; V91-D95 PolarHBondContact O-N 3.2Å; H92-D95 PolarHBondContact O-N 3.27Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.79Å; D95-L98 PolarHBondContact O-N 2.84Å; D95-H99 WeakPolarHBondContact O-CB 3.38Å; D95-H99 PolarHBondContact O-N 2.99Å
96	N	98.9	Very high	98.7	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-46.6	178	-71.1	-22.7	0	0	0	111.7	L48 T49 A51 T54 H92 S100	L48-N96 PolarHBondContact O-ND2 2.79Å; T49-N96 PolarHBondContact O-ND2 3.44Å; A51-N96 WeakPolarHBondContact CB-OD1 3.36Å; A51-N96 PolarHBondContact N-ND2 3.38Å; T54-N96 HydrophobicContact CG2-CB 3.9Å; H92-N96 WeakPolarHBondContact O-CB 3.27Å; H92-N96 PolarHBondContact O-N 3.24Å; H92-N96 PolarHBondContact O-ND2 2.78Å; H92-N96 VanDerWaalsContact O-ND2 3.15Å; N96-S100 WeakPolarHBondContact O-CB 3.33Å; N96-S100 PolarHBondContact O-N 3.37Å; N96-S100 PolarHBondContact O-OG 3.45Å
97	V	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-49.6	-177.3	170	0	0	0	0	111.7	T13 L48 T54 F58 V66 H68 I93 N94 D95 A101	T13-V97 HydrophobicContact CG2-CG1 4.41Å; T13-V97 HydrophobicContact CG2-CG2 4.43Å; L48-V97 HydrophobicContact CB-CG2 4.49Å; L48-V97 HydrophobicContact CD1-CG2 4.05Å; L48-V97 HydrophobicContact CD2-CG2 4.18Å; L48-V97 HydrophobicContact CG-CG2 4.48Å; T54-V97 HydrophobicContact CG2-CG2 4.24Å; F58-V97 HydrophobicContact CE2-CG1 4.45Å; F58-V97 HydrophobicContact CZ-CG1 4.05Å; V66-V97 HydrophobicContact CG1-CG1 4.42Å; H68-V97 HydrophobicContact CB-CG1 4.12Å; I93-V97 WeakPolarHBondContact O-CB 3.42Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.4Å; I93-V97 PolarHBondContact O-N 2.7Å; N94-V97 PolarHBondContact O-N 3.24Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.79Å; V97-A101 WeakPolarHBondContact O-CB 3.34Å; V97-A101 PolarHBondContact O-N 3.43Å
98	L	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-42.6	-178.3	-67.4	178.9	0	0	0	111.1	N94 D95 A101 F102 V109 I150 Q153 Y157 F165	N94-L98 WeakPolarHBondContact O-CB 3.13Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.38Å; N94-L98 PolarHBondContact O-N 2.78Å; D95-L98 PolarHBondContact O-N 2.84Å; L98-A101 PolarHBondContact O-N 2.84Å; L98-F102 PolarHBondContact O-N 3.22Å; L98-V109 HydrophobicContact CD2-CB 4.39Å; L98-V109 HydrophobicContact CD2-CG1 3.65Å; L98-I150 HydrophobicContact CD1-CG2 4.46Å; L98-Q153 HydrophobicContact CD1-CB 3.74Å; L98-Q153 HydrophobicContact CD1-CG 4.38Å; L98-Y157 HydrophobicContact CB-CE2 4.07Å; L98-F165 HydrophobicContact CD2-CD2 4.21Å
99	H	98.9	Very high	98.7	Very high	67 Å²	67	34.1 Å²	34.1	31%	0.31	19%	0.189	S	C	.	.	H	α-helix	trans	-69.8	-41.1	179	-161.2	63.4	0	0	0	112.3	D95 A101 F102 E103 Y157	D95-H99 WeakPolarHBondContact O-CB 3.38Å; D95-H99 PolarHBondContact O-N 2.99Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 2.96Å; H99-F102 WeakPolarHBondContact O-CB 3.38Å; H99-F102 PolarHBondContact O-N 3.4Å; H99-F102 VanDerWaalsContact O-N 3.16Å; H99-E103 IonicContact CD2-OE1 3.55Å; H99-E103 IonicContact NE2-OE1 3.56Å; H99-E103 WeakPolarHBondContact O-CG 3.48Å; H99-E103 PolarHBondContact O-N 3.45Å; H99-Y157 WeakPolarHBondContact CA-OH 3.2Å; H99-Y157 WeakPolarHBondContact CB-OH 3.4Å; H99-Y157 AromaticContact ND1-CZ 3.99Å; H99-Y157 PolarHBondContact ND1-OH 2.89Å
100	S	98.9	Very high	98.7	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-36.1	175.7	-58.9	0	0	0	0	111.9	N96 F102 E103 V104	N96-S100 WeakPolarHBondContact O-CB 3.33Å; N96-S100 PolarHBondContact O-N 3.37Å; N96-S100 PolarHBondContact O-OG 3.45Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-E103 PolarHBondContact O-N 3.36Å; S100-V104 WeakPolarHBondContact O-CG2 3.38Å; S100-V104 PolarHBondContact O-N 3.47Å; S100-V104 VanDerWaalsContact O-N 3.16Å
101	A	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-42	173.1	0	0	0	0	0	111.7	F58 V66 V97 L98 H99 V104 G105 A106 V109 F165	F58-A101 HydrophobicContact CD1-CB 4.43Å; F58-A101 VanDerWaalsContact CE1-CA 3.49Å; F58-A101 HydrophobicContact CE1-CB 3.65Å; F58-A101 HydrophobicContact CZ-CB 4.29Å; V66-A101 HydrophobicContact CG2-CB 4.03Å; V97-A101 WeakPolarHBondContact O-CB 3.34Å; V97-A101 PolarHBondContact O-N 3.43Å; L98-A101 PolarHBondContact O-N 2.84Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 2.96Å; A101-V104 WeakPolarHBondContact O-CG2 3.31Å; A101-G105 PolarHBondContact O-N 3.33Å; A101-A106 HydrophobicContact CB-CB 4.07Å; A101-A106 VanDerWaalsContact O-CB 3.28Å; A101-A106 WeakPolarHBondContact O-CB 3.24Å; A101-A106 PolarHBondContact O-N 3.39Å; A101-V109 HydrophobicContact CB-CG2 3.63Å; A101-F165 HydrophobicContact CB-CZ 4.32Å
102	F	98.9	Very high	98.7	Very high	56 Å²	56	28.3 Å²	28.3	25%	0.246	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-49.4	173.3	169.3	-99.4	0	0	0	112.2	L98 H99 S100 V104 G105 Y157 Y161 F165	L98-F102 PolarHBondContact O-N 3.22Å; H99-F102 WeakPolarHBondContact O-CB 3.38Å; H99-F102 PolarHBondContact O-N 3.4Å; H99-F102 VanDerWaalsContact O-N 3.16Å; S100-F102 VanDerWaalsContact C-N 3.33Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 3.08Å; F102-G105 PolarHBondContact O-N 2.99Å; F102-Y157 HydrophobicContact CB-CD1 4.37Å; F102-Y157 HydrophobicContact CB-CE1 3.86Å; F102-Y157 HydrophobicContact CD1-CE1 4.2Å; F102-Y157 HydrophobicContact CD2-CD1 4.04Å; F102-Y157 HydrophobicContact CD2-CE1 4.09Å; F102-Y157 HydrophobicContact CG-CD1 4.19Å; F102-Y157 AromaticContact CG-CE1 3.78Å; F102-Y157 HydrophobicContact CG-CE1 3.78Å; F102-Y161 AromaticContact CE2-CD1 3.91Å; F102-Y161 HydrophobicContact CE2-CD1 3.91Å; F102-Y161 AromaticContact CE2-CD2 3.85Å; F102-Y161 HydrophobicContact CE2-CD2 3.85Å; F102-Y161 HydrophobicContact CE2-CE1 4.35Å; F102-Y161 HydrophobicContact CE2-CE2 4.3Å; F102-Y161 AromaticContact CE2-CG 3.63Å; F102-Y161 HydrophobicContact CE2-CG 3.63Å; F102-Y161 AromaticContact CZ-CD1 3.89Å; F102-Y161 HydrophobicContact CZ-CD1 3.89Å; F102-Y161 HydrophobicContact CZ-CD2 4.08Å; F102-Y161 AromaticContact CZ-CE1 3.86Å; F102-Y161 HydrophobicContact CZ-CE1 3.86Å; F102-Y161 HydrophobicContact CZ-CE2 4.06Å; F102-Y161 AromaticContact CZ-CG 3.98Å; F102-Y161 HydrophobicContact CZ-CG 3.98Å; F102-Y161 AromaticContact CZ-CZ 3.93Å; F102-F165 HydrophobicContact CB-CE2 4.28Å; F102-F165 HydrophobicContact CB-CZ 4.08Å
103	E	98.8	Very high	98.7	Very high	87 Å²	87	24.5 Å²	24.5	41%	0.407	14%	0.144	S	C	.	.	H	α-helix	trans	-57.4	-37.3	-178.9	-75	-178.1	159.8	0	0	112.4	R55 H99 S100 G105	R55-E103 IonicContact CZ-OE1 3.84Å; R55-E103 IonicContact CZ-OE2 3.66Å; R55-E103 IonicContact NE-OE1 3.78Å; R55-E103 IonicContact NE-OE2 2.95Å; R55-E103 PolarHBondContact NE-OE2 3.45Å; R55-E103 IonicContact NH2-OE1 3.02Å; R55-E103 PolarHBondContact NH2-OE1 3.4Å; R55-E103 IonicContact NH2-OE2 3.45Å; R55-E103 PolarHBondContact NH2-OE2 2.85Å; H99-E103 IonicContact CD2-OE1 3.55Å; H99-E103 IonicContact NE2-OE1 3.56Å; H99-E103 WeakPolarHBondContact O-CG 3.48Å; H99-E103 PolarHBondContact O-N 3.45Å; S100-E103 PolarHBondContact O-N 3.36Å; E103-G105 VanDerWaalsContact C-N 3.33Å
104	V	98.6	Very high	98.6	Very high	23 Å²	23	25.1 Å²	25.1	14%	0.139	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.8	178.1	-56.8	0	0	0	0	114.2	F58 P63 S100 A101 F102	F58-V104 HydrophobicContact CB-CG1 4Å; F58-V104 HydrophobicContact CD1-CG2 3.98Å; P63-V104 HydrophobicContact CG-CG2 4.24Å; S100-V104 WeakPolarHBondContact O-CG2 3.38Å; S100-V104 PolarHBondContact O-N 3.47Å; S100-V104 VanDerWaalsContact O-N 3.16Å; A101-V104 WeakPolarHBondContact O-CG2 3.31Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 3.08Å
105	G	98.4	Very high	98.4	Very high	54 Å²	54	25.5 Å²	25.5	56%	0.557	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	36	179.9	0	0	0	0	0	114.2	A101 F102 E103 C107	A101-G105 PolarHBondContact O-N 3.33Å; F102-G105 PolarHBondContact O-N 2.99Å; E103-G105 VanDerWaalsContact C-N 3.33Å; G105-C107 PolarHBondContact O-N 2.9Å
106	A	98.5	Very high	98	Very high	10 Å²	10	22.6 Å²	22.6	8%	0.083	14%	0.138	C	C	.	.			trans	-61.3	130.9	174	0	0	0	0	0	110.7	T64 V66 A101	T64-A106 CarbonylContact O-C 3.57Å; V66-A106 HydrophobicContact CG2-CB 4.33Å; A101-A106 HydrophobicContact CB-CB 4.07Å; A101-A106 VanDerWaalsContact O-CB 3.28Å; A101-A106 WeakPolarHBondContact O-CB 3.24Å; A101-A106 PolarHBondContact O-N 3.39Å
107	C	96.7	Very high	97.9	Very high	77 Å²	77	21.7 Å²	21.7	52%	0.52	13%	0.133	S	C	.	.	S	Bend	trans	-67.2	-37.7	-177.9	-54.9	0	0	0	0	112.2	T64 G105	T64-C107 WeakPolarHBondContact O-CB 3.43Å; T64-C107 PolarHBondContact O-N 3.48Å; G105-C107 PolarHBondContact O-N 2.9Å
108	K	98.8	Very high	97.8	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.3	-174.5	-166.9	170.2	-177.8	176.5	0	112.1	H65 V66 V110 T164 V230 L231 Y234 N235	H65-K108 WeakPolarHBondContact CA-O 3.27Å; V66-K108 PolarHBondContact N-O 2.98Å; K108-V110 HydrophobicContact CG-CG2 4.49Å; K108-T164 WeakPolarHBondContact CA-O 3.34Å; K108-T164 HydrophobicContact CD-CG2 4.42Å; K108-T164 HydrophobicContact CG-CG2 4.22Å; K108-T164 WeakPolarHBondContact CG-O 3.5Å; K108-V230 PolarHBondContact NZ-O 3.29Å; K108-L231 VanDerWaalsContact CD-O 3.29Å; K108-L231 WeakPolarHBondContact CD-O 3.37Å; K108-L231 WeakPolarHBondContact CE-O 3.49Å; K108-L231 PolarHBondContact NZ-O 3.21Å; K108-Y234 WeakPolarHBondContact CE-O 3.34Å; K108-Y234 PolarHBondContact NZ-O 3.07Å; K108-N235 PolarHBondContact NZ-OD1 3.49Å
109	V	98.9	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.6	173.1	-178.1	0	0	0	0	109	V66 L98 A101 T164 F165 T166	V66-V109 HydrophobicContact CB-CB 4.42Å; V66-V109 HydrophobicContact CB-CG1 4.08Å; V66-V109 HydrophobicContact CB-CG2 4.02Å; V66-V109 HydrophobicContact CG1-CG1 4.36Å; V66-V109 HydrophobicContact CG2-CG2 4.19Å; V66-V109 CarbonylContact O-C 3.53Å; V66-V109 WeakPolarHBondContact O-CA 3.28Å; L98-V109 HydrophobicContact CD2-CB 4.39Å; L98-V109 HydrophobicContact CD2-CG1 3.65Å; A101-V109 HydrophobicContact CB-CG2 3.63Å; V109-T164 PolarHBondContact N-O 3.34Å; V109-F165 HydrophobicContact CB-CB 4.39Å; V109-F165 HydrophobicContact CB-CD1 3.61Å; V109-F165 HydrophobicContact CB-CE1 4.01Å; V109-F165 HydrophobicContact CB-CG 3.93Å; V109-F165 HydrophobicContact CG2-CD1 3.49Å; V109-F165 VanDerWaalsContact CG2-CD1 3.49Å; V109-F165 HydrophobicContact CG2-CD2 4.48Å; V109-F165 HydrophobicContact CG2-CE1 3.32Å; V109-F165 HydrophobicContact CG2-CE2 4.32Å; V109-F165 HydrophobicContact CG2-CG 4.11Å; V109-F165 HydrophobicContact CG2-CZ 3.77Å; V109-F165 WeakPolarHBondContact O-CA 3.37Å; V109-T166 PolarHBondContact O-N 3.37Å
110	V	98.9	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	105.5	175.2	-175.2	0	0	0	0	108.4	V66 I67 H68 K108 T166 V168 F227 V230 L231	V66-V110 PolarHBondContact O-N 3.31Å; I67-V110 WeakPolarHBondContact CA-O 3.45Å; H68-V110 PolarHBondContact N-O 3.36Å; K108-V110 HydrophobicContact CG-CG2 4.49Å; V110-T166 HydrophobicContact CB-CG2 4.49Å; V110-T166 HydrophobicContact CG1-CG2 4.47Å; V110-T166 HydrophobicContact CG2-CG2 3.94Å; V110-V168 HydrophobicContact CG1-CG1 3.9Å; V110-F227 HydrophobicContact CG1-CD1 4.15Å; V110-F227 HydrophobicContact CG1-CE1 3.96Å; V110-V230 HydrophobicContact CB-CG1 4.49Å; V110-V230 HydrophobicContact CG1-CG1 3.62Å; V110-V230 HydrophobicContact CG2-CG1 3.99Å; V110-L231 HydrophobicContact CG2-CD1 3.79Å
111	S	98.9	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	158.6	176.8	-66.7	0	0	0	0	112.6	I150 T166 A167 V168	S111-I150 VanDerWaalsContact CB-CG2 3.44Å; S111-T166 PolarHBondContact N-O 3.1Å; S111-A167 CarbonylContact O-C 3.54Å; S111-A167 WeakPolarHBondContact O-CA 3.47Å; S111-A167 WeakPolarHBondContact O-CB 3.11Å; S111-V168 PolarHBondContact O-N 3.35Å
112	C	98.8	Very high	97.1	Very high	16 Å²	16	32.3 Å²	32.3	11%	0.108	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.1	176.9	-165.2	0	0	0	0	111.6	H68 L69 K147 F227	H68-C112 PolarHBondContact O-N 2.96Å; L69-C112 HydrophobicContact CD2-CB 4.03Å; C112-K147 WeakPolarHBondContact O-CE 3.45Å; C112-K147 PolarHBondContact O-NZ 2.85Å; C112-F227 HydrophobicContact CB-CZ 3.9Å
113	L	98.5	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	20%	0.202	C	C	.	.			trans	-91.6	-162	172.1	-63.1	-178.5	0	0	0	110.8	I117 K147 I150 D151 A167 V168 I169 P239	L113-I117 HydrophobicContact CB-CD1 4.07Å; L113-I117 HydrophobicContact CD1-CD1 3.93Å; L113-I117 HydrophobicContact CD2-CD1 4.47Å; L113-I117 HydrophobicContact CG-CD1 4.38Å; L113-K147 HydrophobicContact CD2-CB 4.16Å; L113-K147 HydrophobicContact CD2-CD 4.47Å; L113-K147 WeakPolarHBondContact CD2-O 3.22Å; L113-I150 HydrophobicContact CD2-CB 3.95Å; L113-I150 HydrophobicContact CD2-CD1 4.08Å; L113-I150 HydrophobicContact CD2-CG2 4.24Å; L113-D151 HydrophobicContact CD1-CB 4.46Å; L113-A167 HydrophobicContact CD1-CB 3.77Å; L113-A167 HydrophobicContact CG-CB 3.74Å; L113-V168 WeakPolarHBondContact CB-O 3.28Å; L113-V168 PolarHBondContact N-O 3.37Å; L113-I169 HydrophobicContact CB-CB 4.45Å; L113-I169 HydrophobicContact CB-CG1 3.78Å; L113-I169 HydrophobicContact CD1-CD1 4.27Å; L113-I169 HydrophobicContact CD1-CG1 3.77Å; L113-I169 HydrophobicContact CG-CG1 4.33Å; L113-P239 HydrophobicContact CD1-CB 4.19Å; L113-P239 HydrophobicContact CD1-CG 3.92Å
114	S	95.5	Very high	96.9	Very high	27 Å²	27	34.8 Å²	34.8	19%	0.189	20%	0.2	C	C	.	.			trans	-157.8	149.6	177.5	176.4	0	0	0	0	110.2	C116 I117	S114-C116 PolarHBondContact O-N 2.57Å; S114-C116 VanDerWaalsContact O-N 3.09Å; S114-C116 PolarHBondContact OG-N 2.83Å; S114-C116 PolarHBondContact OG-SG 3.09Å; S114-I117 WeakPolarHBondContact O-CG1 3.44Å; S114-I117 WeakPolarHBondContact O-CG2 3.29Å; S114-I117 PolarHBondContact O-N 2.74Å; S114-I117 VanDerWaalsContact O-N 3.11Å
115	T	95.4	Very high	96.9	Very high	8 Å²	8	36 Å²	36	5%	0.049	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63	-13.5	173.2	55.7	0	0	0	0	114.5	I117 F118 I169 T171 A284	T115-I117 PolarHBondContact O-N 3.08Å; T115-F118 HydrophobicContact CG2-CD2 4.45Å; T115-F118 HydrophobicContact CG2-CE2 4.22Å; T115-F118 WeakPolarHBondContact O-CD2 3.36Å; T115-F118 PolarHBondContact O-N 3.29Å; T115-I169 HydrophobicContact CG2-CG2 4.04Å; T115-T171 HydrophobicContact CG2-CG2 3.69Å; T115-A284 HydrophobicContact CG2-CB 4.25Å
116	C	91.3	Very high	96.9	Very high	15 Å²	15	33.5 Å²	33.5	10%	0.101	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-69.4	-9.4	173.5	77	0	0	0	0	113.8	S114 N140 Y143 S144	S114-C116 PolarHBondContact O-N 2.57Å; S114-C116 VanDerWaalsContact O-N 3.09Å; S114-C116 PolarHBondContact OG-N 2.83Å; S114-C116 PolarHBondContact OG-SG 3.09Å; C116-N140 PolarHBondContact SG-ND2 3.47Å; C116-Y143 VanDerWaalsContact SG-CE1 3.54Å; C116-S144 PolarHBondContact O-OG 2.93Å
117	I	96.4	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-78.8	-20.1	177	77.3	-174.6	0	0	0	112.4	L113 S114 T115 I131 K147 R148	L113-I117 HydrophobicContact CB-CD1 4.07Å; L113-I117 HydrophobicContact CD1-CD1 3.93Å; L113-I117 HydrophobicContact CD2-CD1 4.47Å; L113-I117 HydrophobicContact CG-CD1 4.38Å; S114-I117 WeakPolarHBondContact O-CG1 3.44Å; S114-I117 WeakPolarHBondContact O-CG2 3.29Å; S114-I117 PolarHBondContact O-N 2.74Å; S114-I117 VanDerWaalsContact O-N 3.11Å; T115-I117 PolarHBondContact O-N 3.08Å; I117-I131 HydrophobicContact CD1-CG1 4.38Å; I117-I131 HydrophobicContact CD1-CG2 3.74Å; I117-I131 HydrophobicContact CG1-CG2 4.09Å; I117-K147 HydrophobicContact CG2-CB 3.51Å; I117-K147 HydrophobicContact CG2-CG 4.45Å; I117-R148 HydrophobicContact CB-CG 3.93Å; I117-R148 HydrophobicContact CG1-CG 4.49Å; I117-R148 PolarHBondContact O-NE 3.22Å; I117-R148 PolarHBondContact O-NH2 3.34Å
118	F	97.6	Very high	97	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.039	17%	0.17	C	C	.	.	S	Bend	trans	-65.9	158	-176.1	-74.1	-73.5	0	0	0	112.3	T115 I126 D127 M130 I131 I169 I241	T115-F118 HydrophobicContact CG2-CD2 4.45Å; T115-F118 HydrophobicContact CG2-CE2 4.22Å; T115-F118 WeakPolarHBondContact O-CD2 3.36Å; T115-F118 PolarHBondContact O-N 3.29Å; F118-I126 HydrophobicContact CB-CD1 3.9Å; F118-I126 HydrophobicContact CD1-CB 4.23Å; F118-I126 HydrophobicContact CD1-CD1 4.32Å; F118-I126 HydrophobicContact CD1-CG1 4.4Å; F118-I126 HydrophobicContact CD2-CD1 3.27Å; F118-I126 HydrophobicContact CD2-CG1 3.91Å; F118-I126 HydrophobicContact CE1-CB 4.4Å; F118-I126 HydrophobicContact CE1-CG1 4.47Å; F118-I126 HydrophobicContact CE2-CD1 3.78Å; F118-I126 HydrophobicContact CE2-CG1 3.97Å; F118-I126 HydrophobicContact CG-CB 4.33Å; F118-I126 HydrophobicContact CG-CD1 3.58Å; F118-I126 HydrophobicContact CG-CG1 4.13Å; F118-I126 HydrophobicContact CZ-CD1 4.49Å; F118-I126 HydrophobicContact CZ-CG1 4.26Å; F118-D127 WeakPolarHBondContact CE1-O 3.25Å; F118-M130 HydrophobicContact CD1-CB 4.45Å; F118-M130 HydrophobicContact CE1-CB 4.49Å; F118-I131 HydrophobicContact CD1-CG1 4.21Å; F118-I131 HydrophobicContact CE1-CB 4.29Å; F118-I131 HydrophobicContact CE1-CG1 3.5Å; F118-I131 VanDerWaalsContact CE1-CG1 3.5Å; F118-I131 HydrophobicContact CZ-CG1 3.99Å; F118-I169 HydrophobicContact CE2-CG2 3.92Å; F118-I169 HydrophobicContact CZ-CD1 4.04Å; F118-I169 HydrophobicContact CZ-CG2 4.45Å; F118-I241 HydrophobicContact CZ-CD1 4.2Å
119	P	96.7	Very high	97	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.013	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-56.8	141.8	177.5	-23.1	33.2	0	0	0	112.3	M130 N133 P135	P119-M130 VanDerWaalsContact CD-O 3.28Å; P119-M130 WeakPolarHBondContact CD-O 3.48Å; P119-M130 WeakPolarHBondContact CG-O 3.13Å; P119-N133 HydrophobicContact CG-CB 4.32Å; P119-P135 CarbonylContact C-O 3.6Å; P119-P135 VanDerWaalsContact CA-O 3.26Å; P119-P135 WeakPolarHBondContact CA-O 3.5Å
120	D	93.8	Very high	96.9	Very high	58 Å²	58	37.2 Å²	37.2	31%	0.31	20%	0.198	S	C	.	.	S	Bend	trans	-64.9	-46.8	177.4	179.2	41.2	0	0	0	111.8	P135 H137 Q279	D120-P135 PolarHBondContact N-O 3.02Å; D120-H137 HydrophobicContact CB-CB 4.17Å; D120-H137 IonicContact OD1-CD2 3.87Å; D120-H137 PolarHBondContact OD1-CD2 2.97Å; D120-H137 IonicContact OD2-CD2 3.52Å; D120-Q279 PolarHBondContact O-NE2 3.06Å; D120-Q279 PolarHBondContact OD1-NE2 2.89Å
121	K	94.2	Very high	96.9	Very high	190 Å²	190	37.2 Å²	37.2	83%	0.826	20%	0.198	S	C	*	.	S	Bend	trans	-95.3	100.6	174.4	-63.3	-176.8	-178.2	-179.4	0	108.6
122	T	96.2	Very high	96.9	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.221	21%	0.212	C	C	.	.			trans	-145.4	162.2	-174.9	-166	0	0	0	0	111.4	Y124 I126 M130	T122-Y124 HydrophobicContact CG2-CE1 4.02Å; T122-Y124 HydrophobicContact CG2-CE2 4.25Å; T122-I126 HydrophobicContact CG2-CG2 3.57Å; T122-M130 WeakPolarHBondContact OG1-CE 3.49Å
123	T	97	Very high	96.9	Very high	102 Å²	102	44.5 Å²	44.5	63%	0.626	23%	0.234	S	C	*	.			trans	-83.7	158.4	166.3	51.6	0	0	0	0	110.1	I126 M130	T123-I126 WeakPolarHBondContact O-CG2 3.45Å; T123-M130 VanDerWaalsContact OG1-CE 3.25Å; T123-M130 WeakPolarHBondContact OG1-CE 3.46Å
124	Y	96.3	Very high	96.8	Very high	92 Å²	92	45.6 Å²	45.6	36%	0.361	25%	0.246	S	C	.	.	S	Bend	trans	-121.5	149	178.2	-66	-77.5	0	0	0	110.9	T122 I126 K281	T122-Y124 HydrophobicContact CG2-CE1 4.02Å; T122-Y124 HydrophobicContact CG2-CE2 4.25Å; Y124-I126 HydrophobicContact CD1-CG2 4.11Å; Y124-I126 HydrophobicContact CE1-CG2 4.15Å; Y124-K281 HydrophobicContact CE1-CB 4.46Å; Y124-K281 PolarHBondContact OH-O 2.93Å; Y124-K281 VanDerWaalsContact OH-O 3.12Å
125	P	97.8	Very high	96.9	Very high	48 Å²	48	48.4 Å²	48.4	31%	0.312	26%	0.263	S	S	.	.	S	Bend	cis	-68.1	154.6	-5.7	33.5	-39.6	0	0	0	112.2	E246 T283	P125-E246 VanDerWaalsContact CB-CD 3.47Å; P125-E246 HydrophobicContact CB-CG 4.08Å; P125-E246 WeakPolarHBondContact CB-OE1 3.33Å; P125-E246 WeakPolarHBondContact CG-OE1 3.16Å; P125-E246 WeakPolarHBondContact CG-OE2 3.43Å; P125-T283 WeakPolarHBondContact CA-O 3.39Å
126	I	98.1	Very high	97	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-84	137.6	171.6	64.2	-159.1	0	0	0	109.9	F118 T122 T123 Y124 M130 T283 A284 S285	F118-I126 HydrophobicContact CB-CD1 3.9Å; F118-I126 HydrophobicContact CD1-CB 4.23Å; F118-I126 HydrophobicContact CD1-CD1 4.32Å; F118-I126 HydrophobicContact CD1-CG1 4.4Å; F118-I126 HydrophobicContact CD2-CD1 3.27Å; F118-I126 HydrophobicContact CD2-CG1 3.91Å; F118-I126 HydrophobicContact CE1-CB 4.4Å; F118-I126 HydrophobicContact CE1-CG1 4.47Å; F118-I126 HydrophobicContact CE2-CD1 3.78Å; F118-I126 HydrophobicContact CE2-CG1 3.97Å; F118-I126 HydrophobicContact CG-CB 4.33Å; F118-I126 HydrophobicContact CG-CD1 3.58Å; F118-I126 HydrophobicContact CG-CG1 4.13Å; F118-I126 HydrophobicContact CZ-CD1 4.49Å; F118-I126 HydrophobicContact CZ-CG1 4.26Å; T122-I126 HydrophobicContact CG2-CG2 3.57Å; T123-I126 WeakPolarHBondContact O-CG2 3.45Å; Y124-I126 HydrophobicContact CD1-CG2 4.11Å; Y124-I126 HydrophobicContact CE1-CG2 4.15Å; I126-M130 HydrophobicContact CB-SD 4.4Å; I126-T283 WeakPolarHBondContact CG1-O 3.24Å; I126-T283 PolarHBondContact N-O 3.02Å; I126-A284 HydrophobicContact CD1-CB 4.34Å; I126-A284 HydrophobicContact CG1-CB 3.9Å; I126-A284 WeakPolarHBondContact O-CA 3.34Å; I126-S285 PolarHBondContact O-N 3.41Å
127	D	98.6	Very high	97	Very high	55 Å²	55	50.4 Å²	50.4	29%	0.294	27%	0.272	S	S	.	.			trans	-118.8	175.9	174.4	68.9	40.8	0	0	0	111.8	F118 T129 M130	F118-D127 WeakPolarHBondContact CE1-O 3.25Å; D127-T129 PolarHBondContact O-N 3.09Å; D127-T129 WeakPolarHBondContact OD1-CA 3.36Å; D127-T129 VanDerWaalsContact OD1-CB 3.29Å; D127-T129 WeakPolarHBondContact OD1-CB 3.47Å; D127-T129 PolarHBondContact OD1-N 2.98Å; D127-T129 PolarHBondContact OD1-OG1 2.96Å; D127-M130 PolarHBondContact O-N 3.49Å; D127-M130 VanDerWaalsContact O-N 3.13Å; D127-M130 WeakPolarHBondContact OD1-CG 3.36Å; D127-M130 PolarHBondContact OD1-N 2.86Å
128	E	98.6	Very high	96.8	Very high	11 Å²	11	54.8 Å²	54.8	5%	0.051	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.6	-174.8	-58.3	97	154	0	0	114	M130 I131 I169 E238 P239 I241 K288	E128-M130 PolarHBondContact O-N 3.19Å; E128-I131 VanDerWaalsContact O-CD1 3.28Å; E128-I131 WeakPolarHBondContact O-CD1 3.31Å; E128-I131 WeakPolarHBondContact O-CG1 3.43Å; E128-I169 HydrophobicContact CG-CD1 4.27Å; E128-E238 HydrophobicContact CB-CG 4.32Å; E128-P239 VanDerWaalsContact CG-O 3.3Å; E128-P239 WeakPolarHBondContact CG-O 3.16Å; E128-I241 HydrophobicContact CG-CB 4.45Å; E128-I241 HydrophobicContact CG-CD1 3.82Å; E128-I241 HydrophobicContact CG-CG1 3.8Å; E128-I241 PolarHBondContact OE1-N 3.29Å; E128-K288 WeakPolarHBondContact OE1-CB 3.38Å
129	T	98.6	Very high	96.4	Very high	84 Å²	84	55.1 Å²	55.1	52%	0.515	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-75.2	-18	178.4	78	0	0	0	0	112.1	D127	D127-T129 PolarHBondContact O-N 3.09Å; D127-T129 WeakPolarHBondContact OD1-CA 3.36Å; D127-T129 VanDerWaalsContact OD1-CB 3.29Å; D127-T129 WeakPolarHBondContact OD1-CB 3.47Å; D127-T129 PolarHBondContact OD1-N 2.98Å; D127-T129 PolarHBondContact OD1-OG1 2.96Å
130	M	98.6	Very high	96.1	Very high	21 Å²	21	55.9 Å²	55.9	10%	0.103	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-91.1	-2.9	-171	-61.5	175.5	76.8	0	0	114.8	F118 P119 T122 T123 I126 D127 E128 H132 N133	F118-M130 HydrophobicContact CD1-CB 4.45Å; F118-M130 HydrophobicContact CE1-CB 4.49Å; P119-M130 VanDerWaalsContact CD-O 3.28Å; P119-M130 WeakPolarHBondContact CD-O 3.48Å; P119-M130 WeakPolarHBondContact CG-O 3.13Å; T122-M130 WeakPolarHBondContact OG1-CE 3.49Å; T123-M130 VanDerWaalsContact OG1-CE 3.25Å; T123-M130 WeakPolarHBondContact OG1-CE 3.46Å; I126-M130 HydrophobicContact CB-SD 4.4Å; D127-M130 PolarHBondContact O-N 3.49Å; D127-M130 VanDerWaalsContact O-N 3.13Å; D127-M130 WeakPolarHBondContact OD1-CG 3.36Å; D127-M130 PolarHBondContact OD1-N 2.86Å; E128-M130 PolarHBondContact O-N 3.19Å; M130-H132 PolarHBondContact O-N 3.06Å; M130-N133 PolarHBondContact O-N 3.3Å; M130-N133 VanDerWaalsContact O-N 3.13Å
131	I	98.3	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-39.8	-172.5	-64.8	167.2	0	0	0	112.5	I117 F118 E128 R148 I169 P239	I117-I131 HydrophobicContact CD1-CG1 4.38Å; I117-I131 HydrophobicContact CD1-CG2 3.74Å; I117-I131 HydrophobicContact CG1-CG2 4.09Å; F118-I131 HydrophobicContact CD1-CG1 4.21Å; F118-I131 HydrophobicContact CE1-CB 4.29Å; F118-I131 HydrophobicContact CE1-CG1 3.5Å; F118-I131 VanDerWaalsContact CE1-CG1 3.5Å; F118-I131 HydrophobicContact CZ-CG1 3.99Å; E128-I131 VanDerWaalsContact O-CD1 3.28Å; E128-I131 WeakPolarHBondContact O-CD1 3.31Å; E128-I131 WeakPolarHBondContact O-CG1 3.43Å; I131-R148 HydrophobicContact CG2-CG 4.06Å; I131-R148 PolarHBondContact O-NE 3.29Å; I131-R148 VanDerWaalsContact O-NE 3.11Å; I131-R148 PolarHBondContact O-NH1 3Å; I131-R148 PolarHBondContact O-NH2 3.49Å; I131-R148 VanDerWaalsContact O-NH2 3.14Å; I131-I169 HydrophobicContact CD1-CD1 3.7Å; I131-I169 HydrophobicContact CG1-CD1 4.22Å; I131-P239 HydrophobicContact CD1-CB 4.32Å; I131-P239 HydrophobicContact CD1-CG 3.81Å
132	H	98.6	Very high	96.3	Very high	64 Å²	64	48.8 Å²	48.8	30%	0.296	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	6.9	-173.3	-59.7	-75.2	0	0	0	114.6	M130 G134 D151	M130-H132 PolarHBondContact O-N 3.06Å; H132-G134 PolarHBondContact O-N 3.08Å; H132-D151 IonicContact CD2-OD2 3.55Å; H132-D151 IonicContact CE1-OD2 3.72Å; H132-D151 IonicContact NE2-OD2 2.69Å; H132-D151 PolarHBondContact NE2-OD2 2.9Å
133	N	98.4	Very high	96.3	Very high	106 Å²	106	48.2 Å²	48.2	57%	0.567	27%	0.27	S	S	*	.	S	Bend	trans	-81.6	43.5	-171.8	-66.6	-5.2	0	0	0	113.5	P119 M130	P119-N133 HydrophobicContact CG-CB 4.32Å; M130-N133 PolarHBondContact O-N 3.3Å; M130-N133 VanDerWaalsContact O-N 3.13Å
134	G	97.8	Very high	96.3	Very high	27 Å²	27	43.4 Å²	43.4	28%	0.278	24%	0.241	S	C	.	.	S	Bend	trans	131.2	170.7	-179.2	0	0	0	0	0	113.2	H132 R148	H132-G134 PolarHBondContact O-N 3.08Å; G134-R148 VanDerWaalsContact O-CZ 3.24Å; G134-R148 PolarHBondContact O-NH1 3.23Å; G134-R148 PolarHBondContact O-NH2 2.81Å
135	P	97.8	Very high	96.4	Very high	85 Å²	85	43 Å²	43	55%	0.552	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-70.4	145.6	-176.7	29.4	-34.9	0	0	0	112.1	P119 D120	P119-P135 CarbonylContact C-O 3.6Å; P119-P135 VanDerWaalsContact CA-O 3.26Å; P119-P135 WeakPolarHBondContact CA-O 3.5Å; D120-P135 PolarHBondContact N-O 3.02Å
136	P	95.9	Very high	96.5	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.058	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-70.3	171	170.2	33.7	-34.6	0	0	0	110.8	F141 Y145	P136-F141 HydrophobicContact CG-CB 4.45Å; P136-Y145 WeakPolarHBondContact CD-OH 3.36Å; P136-Y145 HydrophobicContact CG-CD2 4.03Å; P136-Y145 HydrophobicContact CG-CE1 4.39Å; P136-Y145 HydrophobicContact CG-CE2 3.77Å; P136-Y145 HydrophobicContact CG-CG 4.44Å
137	H	92.5	Very high	96.5	Very high	57 Å²	57	40.7 Å²	40.7	26%	0.264	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-60.9	140.9	176.7	-173	-96	0	0	0	111.6	D120 S139	D120-H137 HydrophobicContact CB-CB 4.17Å; D120-H137 IonicContact OD1-CD2 3.87Å; D120-H137 PolarHBondContact OD1-CD2 2.97Å; D120-H137 IonicContact OD2-CD2 3.52Å; H137-S139 PolarHBondContact CE1-OG 2.63Å; H137-S139 VanDerWaalsContact ND1-CB 3.25Å; H137-S139 WeakPolarHBondContact ND1-CB 3.38Å; H137-S139 PolarHBondContact ND1-N 3.31Å; H137-S139 VanDerWaalsContact ND1-N 3.18Å; H137-S139 PolarHBondContact ND1-OG 3.45Å; H137-S139 PolarHBondContact O-N 3.32Å
138	S	91.8	Very high	96.5	Very high	91 Å²	91	38.5 Å²	38.5	64%	0.636	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-69.3	-17.3	-172.6	59.8	0	0	0	0	114	N140 F141	S138-N140 VanDerWaalsContact C-N 3.25Å; S138-N140 PolarHBondContact O-N 3.28Å; S138-F141 WeakPolarHBondContact O-CD1 3.42Å
139	S	88.1	Confident	96.5	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.119	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-65.7	-25.3	-179.4	66.5	0	0	0	0	113.7	N79 I80 H137	N79-S139 CarbonylContact C-O 3.58Å; I80-S139 WeakPolarHBondContact CA-O 3.5Å; I80-S139 WeakPolarHBondContact CG1-O 3.48Å; I80-S139 PolarHBondContact N-O 2.7Å; H137-S139 PolarHBondContact CE1-OG 2.63Å; H137-S139 VanDerWaalsContact ND1-CB 3.25Å; H137-S139 WeakPolarHBondContact ND1-CB 3.38Å; H137-S139 PolarHBondContact ND1-N 3.31Å; H137-S139 VanDerWaalsContact ND1-N 3.18Å; H137-S139 PolarHBondContact ND1-OG 3.45Å; H137-S139 PolarHBondContact O-N 3.32Å
140	N	90.6	Very high	96.6	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-144.8	30.4	-175.4	68.6	-39.5	0	0	0	112.5	N79 N83 C116 S138 G142 Y143 S144	N79-N140 HydrophobicContact CB-CB 3.63Å; N83-N140 VanDerWaalsContact OD1-C 3.32Å; C116-N140 PolarHBondContact SG-ND2 3.47Å; S138-N140 VanDerWaalsContact C-N 3.25Å; S138-N140 PolarHBondContact O-N 3.28Å; N140-G142 PolarHBondContact O-N 3Å; N140-G142 VanDerWaalsContact O-N 3.17Å; N140-Y143 PolarHBondContact O-N 3.04Å; N140-Y143 VanDerWaalsContact O-N 3.14Å; N140-S144 PolarHBondContact ND2-OG 3.28Å; N140-S144 PolarHBondContact O-N 3.47Å; N140-S144 PolarHBondContact O-OG 3.48Å
141	F	95.3	Very high	96.6	Very high	98 Å²	98	35.8 Å²	35.8	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-56.1	-35.7	-173.6	75.1	-89.3	0	0	0	113	N83 P136 S138 S144 Y145	N83-F141 HydrophobicContact CB-CD1 4.26Å; N83-F141 HydrophobicContact CB-CE1 3.65Å; N83-F141 HydrophobicContact CB-CZ 3.8Å; N83-F141 VanDerWaalsContact CG-CE1 3.4Å; N83-F141 WeakPolarHBondContact OD1-CD1 3.42Å; N83-F141 PolarHBondContact OD1-N 2.9Å; N83-F141 VanDerWaalsContact OD1-N 3.13Å; P136-F141 HydrophobicContact CG-CB 4.45Å; S138-F141 WeakPolarHBondContact O-CD1 3.42Å; F141-S144 PolarHBondContact O-N 2.81Å; F141-Y145 HydrophobicContact CB-CD2 4.14Å; F141-Y145 HydrophobicContact CB-CE2 4.24Å; F141-Y145 HydrophobicContact CD2-CD2 4.22Å; F141-Y145 WeakPolarHBondContact O-CB 3.49Å; F141-Y145 VanDerWaalsContact O-CD2 3.22Å; F141-Y145 WeakPolarHBondContact O-CD2 3.47Å; F141-Y145 PolarHBondContact O-N 3.28Å
142	G	97.4	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-45.5	179.2	0	0	0	0	0	112.4	N83 W87 N140 A146	N83-G142 PolarHBondContact OD1-N 3.35Å; W87-G142 WeakPolarHBondContact CA-O 3.45Å; N140-G142 PolarHBondContact O-N 3Å; N140-G142 VanDerWaalsContact O-N 3.17Å; G142-A146 WeakPolarHBondContact O-CB 3.25Å; G142-A146 PolarHBondContact O-N 3.38Å
143	Y	97.1	Very high	96.6	Very high	25 Å²	25	37.3 Å²	37.3	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-46.5	173	177.3	-96.3	0	0	0	111.6	N79 F86 C116 N140 Y145 A146 K147	N79-Y143 WeakPolarHBondContact OD1-CB 3.37Å; F86-Y143 AromaticContact CD1-CD2 3.99Å; F86-Y143 HydrophobicContact CD1-CD2 3.99Å; F86-Y143 HydrophobicContact CD1-CG 4.49Å; C116-Y143 VanDerWaalsContact SG-CE1 3.54Å; N140-Y143 PolarHBondContact O-N 3.04Å; N140-Y143 VanDerWaalsContact O-N 3.14Å; Y143-Y145 PolarHBondContact O-N 3.38Å; Y143-A146 PolarHBondContact O-N 2.92Å; Y143-K147 HydrophobicContact CD1-CG 4.39Å; Y143-K147 HydrophobicContact CE1-CG 3.88Å; Y143-K147 HydrophobicContact CE2-CG 4.15Å; Y143-K147 PolarHBondContact O-N 2.68Å; Y143-K147 VanDerWaalsContact OH-CE 3.26Å; Y143-K147 WeakPolarHBondContact OH-CE 3.44Å
144	S	96.8	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-46	-176.1	-69.9	0	0	0	0	112.2	C116 N140 F141 K147 R148	C116-S144 PolarHBondContact O-OG 2.93Å; N140-S144 PolarHBondContact ND2-OG 3.28Å; N140-S144 PolarHBondContact O-N 3.47Å; N140-S144 PolarHBondContact O-OG 3.48Å; F141-S144 PolarHBondContact O-N 2.81Å; S144-K147 PolarHBondContact O-N 3.48Å; S144-R148 WeakPolarHBondContact O-CG 3.44Å; S144-R148 PolarHBondContact O-N 2.73Å
145	Y	98.8	Very high	96.7	Very high	84 Å²	84	36.2 Å²	36.2	33%	0.329	19%	0.185	S	C	.	.	H	α-helix	trans	-66.1	-40.8	175.1	-78.8	-65.3	0	0	0	111.8	P136 F141 Y143 K147 R148 M149	P136-Y145 WeakPolarHBondContact CD-OH 3.36Å; P136-Y145 HydrophobicContact CG-CD2 4.03Å; P136-Y145 HydrophobicContact CG-CE1 4.39Å; P136-Y145 HydrophobicContact CG-CE2 3.77Å; P136-Y145 HydrophobicContact CG-CG 4.44Å; F141-Y145 HydrophobicContact CB-CD2 4.14Å; F141-Y145 HydrophobicContact CB-CE2 4.24Å; F141-Y145 HydrophobicContact CD2-CD2 4.22Å; F141-Y145 WeakPolarHBondContact O-CB 3.49Å; F141-Y145 VanDerWaalsContact O-CD2 3.22Å; F141-Y145 WeakPolarHBondContact O-CD2 3.47Å; F141-Y145 PolarHBondContact O-N 3.28Å; Y143-Y145 PolarHBondContact O-N 3.38Å; Y145-K147 PolarHBondContact O-N 3.49Å; Y145-R148 WeakPolarHBondContact O-CB 3.42Å; Y145-R148 PolarHBondContact O-N 3.19Å; Y145-R148 VanDerWaalsContact O-N 3.09Å; Y145-M149 WeakPolarHBondContact O-CG 3.35Å; Y145-M149 PolarHBondContact O-N 2.99Å
146	A	98.6	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-37.9	178.4	0	0	0	0	0	111.8	W87 N90 V91 N94 G142 Y143	W87-A146 HydrophobicContact CE3-CB 3.89Å; W87-A146 HydrophobicContact CZ3-CB 4.29Å; N90-A146 HydrophobicContact CB-CB 3.68Å; V91-A146 HydrophobicContact CG2-CB 3.85Å; N94-A146 PolarHBondContact ND2-O 3.31Å; G142-A146 WeakPolarHBondContact O-CB 3.25Å; G142-A146 PolarHBondContact O-N 3.38Å; Y143-A146 PolarHBondContact O-N 2.92Å
147	K	98.7	Very high	96.9	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-41.4	172.7	-73	-63.4	-171.7	177.8	0	112.7	C112 L113 I117 Y143 S144 Y145 M149 I150	C112-K147 WeakPolarHBondContact O-CE 3.45Å; C112-K147 PolarHBondContact O-NZ 2.85Å; L113-K147 HydrophobicContact CD2-CB 4.16Å; L113-K147 HydrophobicContact CD2-CD 4.47Å; L113-K147 WeakPolarHBondContact CD2-O 3.22Å; I117-K147 HydrophobicContact CG2-CB 3.51Å; I117-K147 HydrophobicContact CG2-CG 4.45Å; Y143-K147 HydrophobicContact CD1-CG 4.39Å; Y143-K147 HydrophobicContact CE1-CG 3.88Å; Y143-K147 HydrophobicContact CE2-CG 4.15Å; Y143-K147 PolarHBondContact O-N 2.68Å; Y143-K147 VanDerWaalsContact OH-CE 3.26Å; Y143-K147 WeakPolarHBondContact OH-CE 3.44Å; S144-K147 PolarHBondContact O-N 3.48Å; Y145-K147 PolarHBondContact O-N 3.49Å; K147-M149 PolarHBondContact O-N 3.11Å; K147-I150 HydrophobicContact CD-CD1 3.68Å; K147-I150 VanDerWaalsContact O-CB 3.3Å; K147-I150 WeakPolarHBondContact O-CB 3.5Å; K147-I150 PolarHBondContact O-N 2.83Å
148	R	98.8	Very high	97.2	Very high	8 Å²	8	37.4 Å²	37.4	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-56.3	-35	172.9	-74.7	-169.1	-174.7	-171.5	-0	112.6	I117 I131 G134 S144 Y145 I150 D151 V152	I117-R148 HydrophobicContact CB-CG 3.93Å; I117-R148 HydrophobicContact CG1-CG 4.49Å; I117-R148 PolarHBondContact O-NE 3.22Å; I117-R148 PolarHBondContact O-NH2 3.34Å; I131-R148 HydrophobicContact CG2-CG 4.06Å; I131-R148 PolarHBondContact O-NE 3.29Å; I131-R148 VanDerWaalsContact O-NE 3.11Å; I131-R148 PolarHBondContact O-NH1 3Å; I131-R148 PolarHBondContact O-NH2 3.49Å; I131-R148 VanDerWaalsContact O-NH2 3.14Å; G134-R148 VanDerWaalsContact O-CZ 3.24Å; G134-R148 PolarHBondContact O-NH1 3.23Å; G134-R148 PolarHBondContact O-NH2 2.81Å; S144-R148 WeakPolarHBondContact O-CG 3.44Å; S144-R148 PolarHBondContact O-N 2.73Å; Y145-R148 WeakPolarHBondContact O-CB 3.42Å; Y145-R148 PolarHBondContact O-N 3.19Å; Y145-R148 VanDerWaalsContact O-N 3.09Å; R148-I150 PolarHBondContact O-N 2.81Å; R148-D151 PolarHBondContact O-N 3.46Å; R148-V152 PolarHBondContact O-N 3.1Å
149	M	98.9	Very high	97.5	Very high	60 Å²	60	41.4 Å²	41.4	30%	0.296	20%	0.197	S	C	.	.	H	α-helix	trans	-68.3	-18.5	179.1	-65.3	-55	91.7	0	0	113.3	W87 Y145 K147 V152 Q153	W87-M149 HydrophobicContact CH2-CG 3.94Å; W87-M149 HydrophobicContact CZ3-CG 4.13Å; Y145-M149 WeakPolarHBondContact O-CG 3.35Å; Y145-M149 PolarHBondContact O-N 2.99Å; K147-M149 PolarHBondContact O-N 3.11Å; M149-V152 HydrophobicContact CE-CB 4.49Å; M149-V152 HydrophobicContact CE-CG2 3.69Å; M149-V152 PolarHBondContact O-N 3.41Å; M149-V152 HydrophobicContact SD-CB 4.49Å; M149-V152 HydrophobicContact SD-CG2 4.25Å; M149-Q153 WeakPolarHBondContact O-CB 3.47Å; M149-Q153 VanDerWaalsContact O-CG 3.24Å; M149-Q153 WeakPolarHBondContact O-CG 3.46Å; M149-Q153 PolarHBondContact O-N 3.49Å; M149-Q153 PolarHBondContact O-NE2 2.98Å
150	I	98.9	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-48	170.2	-65	175.1	0	0	0	109.9	N94 L98 S111 L113 K147 R148 V152 Q153 N154	N94-I150 HydrophobicContact CB-CD1 4.47Å; N94-I150 HydrophobicContact CB-CG1 3.98Å; N94-I150 VanDerWaalsContact ND2-CG1 3.34Å; N94-I150 WeakPolarHBondContact ND2-CG1 3.2Å; L98-I150 HydrophobicContact CD1-CG2 4.46Å; S111-I150 VanDerWaalsContact CB-CG2 3.44Å; L113-I150 HydrophobicContact CD2-CB 3.95Å; L113-I150 HydrophobicContact CD2-CD1 4.08Å; L113-I150 HydrophobicContact CD2-CG2 4.24Å; K147-I150 HydrophobicContact CD-CD1 3.68Å; K147-I150 VanDerWaalsContact O-CB 3.3Å; K147-I150 WeakPolarHBondContact O-CB 3.5Å; K147-I150 PolarHBondContact O-N 2.83Å; R148-I150 PolarHBondContact O-N 2.81Å; I150-V152 VanDerWaalsContact C-N 3.33Å; I150-V152 PolarHBondContact O-N 2.84Å; I150-Q153 WeakPolarHBondContact O-CB 3.47Å; I150-Q153 PolarHBondContact O-N 2.81Å; I150-Q153 VanDerWaalsContact O-N 3.16Å; I150-N154 WeakPolarHBondContact O-CB 2.84Å; I150-N154 PolarHBondContact O-N 3.34Å; I150-N154 PolarHBondContact O-OD1 3.33Å
151	D	98.9	Very high	98.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-36.1	179.9	166.7	52.6	0	0	0	111.7	L113 H132 R148 N154 R155 P239	L113-D151 HydrophobicContact CD1-CB 4.46Å; H132-D151 IonicContact CD2-OD2 3.55Å; H132-D151 IonicContact CE1-OD2 3.72Å; H132-D151 IonicContact NE2-OD2 2.69Å; H132-D151 PolarHBondContact NE2-OD2 2.9Å; R148-D151 PolarHBondContact O-N 3.46Å; D151-N154 PolarHBondContact O-N 2.84Å; D151-R155 VanDerWaalsContact CG-NE 3.34Å; D151-R155 VanDerWaalsContact O-CG 3.26Å; D151-R155 WeakPolarHBondContact O-CG 3.33Å; D151-R155 PolarHBondContact O-N 3.09Å; D151-R155 VanDerWaalsContact O-N 3.08Å; D151-R155 IonicContact OD1-CZ 3.56Å; D151-R155 IonicContact OD1-NE 2.91Å; D151-R155 PolarHBondContact OD1-NE 2.76Å; D151-R155 IonicContact OD1-NH2 3.35Å; D151-R155 PolarHBondContact OD1-NH2 2.86Å; D151-R155 IonicContact OD2-CZ 3.23Å; D151-R155 VanDerWaalsContact OD2-CZ 3.23Å; D151-R155 IonicContact OD2-NE 3.2Å; D151-R155 PolarHBondContact OD2-NE 2.72Å; D151-R155 IonicContact OD2-NH2 2.62Å; D151-R155 PolarHBondContact OD2-NH2 2.87Å; D151-P239 HydrophobicContact CB-CG 4.37Å
152	V	98.9	Very high	98.5	Very high	65 Å²	65	49.7 Å²	49.7	39%	0.394	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-45.9	170.1	178.1	0	0	0	0	111.6	R148 M149 I150 R155 A156	R148-V152 PolarHBondContact O-N 3.1Å; M149-V152 HydrophobicContact CE-CB 4.49Å; M149-V152 HydrophobicContact CE-CG2 3.69Å; M149-V152 PolarHBondContact O-N 3.41Å; M149-V152 HydrophobicContact SD-CB 4.49Å; M149-V152 HydrophobicContact SD-CG2 4.25Å; I150-V152 VanDerWaalsContact C-N 3.33Å; I150-V152 PolarHBondContact O-N 2.84Å; V152-R155 PolarHBondContact O-N 3.18Å; V152-A156 WeakPolarHBondContact O-CB 3.35Å; V152-A156 PolarHBondContact O-N 3.37Å
153	Q	98.9	Very high	98.5	Very high	31 Å²	31	50.7 Å²	50.7	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-46.1	176.9	-74.7	166.3	95.4	0	0	111.6	L98 M149 I150 R155 A156 Y157	L98-Q153 HydrophobicContact CD1-CB 3.74Å; L98-Q153 HydrophobicContact CD1-CG 4.38Å; M149-Q153 WeakPolarHBondContact O-CB 3.47Å; M149-Q153 VanDerWaalsContact O-CG 3.24Å; M149-Q153 WeakPolarHBondContact O-CG 3.46Å; M149-Q153 PolarHBondContact O-N 3.49Å; M149-Q153 PolarHBondContact O-NE2 2.98Å; I150-Q153 WeakPolarHBondContact O-CB 3.47Å; I150-Q153 PolarHBondContact O-N 2.81Å; I150-Q153 VanDerWaalsContact O-N 3.16Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 3.37Å; Q153-A156 PolarHBondContact O-N 2.84Å; Q153-A156 VanDerWaalsContact O-N 3.12Å; Q153-Y157 HydrophobicContact CB-CD2 4.35Å; Q153-Y157 HydrophobicContact CB-CE2 4.37Å; Q153-Y157 WeakPolarHBondContact O-CD2 3.3Å; Q153-Y157 PolarHBondContact O-N 3.18Å
154	N	98.9	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.3	-50.1	177.8	-73.1	-2.7	0	0	0	111.5	I150 D151 A156 Y157 F158 F165 T166 V237	I150-N154 WeakPolarHBondContact O-CB 2.84Å; I150-N154 PolarHBondContact O-N 3.34Å; I150-N154 PolarHBondContact O-OD1 3.33Å; D151-N154 PolarHBondContact O-N 2.84Å; N154-A156 PolarHBondContact O-N 2.83Å; N154-Y157 PolarHBondContact O-N 2.7Å; N154-F158 WeakPolarHBondContact O-CB 3.5Å; N154-F158 PolarHBondContact O-N 2.88Å; N154-F165 HydrophobicContact CB-CB 4.21Å; N154-F165 WeakPolarHBondContact CB-O 3.4Å; N154-T166 WeakPolarHBondContact ND2-CA 3.31Å; N154-T166 PolarHBondContact ND2-O 3.07Å; N154-T166 VanDerWaalsContact ND2-O 3.11Å; N154-V237 HydrophobicContact CB-CG1 4.27Å
155	R	98.9	Very high	98.7	Very high	109 Å²	109	51.3 Å²	51.3	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-41	176.7	-64.3	172.9	-155.9	-152.3	1.8	112.2	D151 V152 Q153 F158 Q159 V237	D151-R155 VanDerWaalsContact CG-NE 3.34Å; D151-R155 VanDerWaalsContact O-CG 3.26Å; D151-R155 WeakPolarHBondContact O-CG 3.33Å; D151-R155 PolarHBondContact O-N 3.09Å; D151-R155 VanDerWaalsContact O-N 3.08Å; D151-R155 IonicContact OD1-CZ 3.56Å; D151-R155 IonicContact OD1-NE 2.91Å; D151-R155 PolarHBondContact OD1-NE 2.76Å; D151-R155 IonicContact OD1-NH2 3.35Å; D151-R155 PolarHBondContact OD1-NH2 2.86Å; D151-R155 IonicContact OD2-CZ 3.23Å; D151-R155 VanDerWaalsContact OD2-CZ 3.23Å; D151-R155 IonicContact OD2-NE 3.2Å; D151-R155 PolarHBondContact OD2-NE 2.72Å; D151-R155 IonicContact OD2-NH2 2.62Å; D151-R155 PolarHBondContact OD2-NH2 2.87Å; V152-R155 PolarHBondContact O-N 3.18Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 3.37Å; R155-F158 PolarHBondContact O-N 3.42Å; R155-Q159 WeakPolarHBondContact O-CB 3.36Å; R155-Q159 PolarHBondContact O-N 2.93Å; R155-V237 HydrophobicContact CG-CG1 4.07Å
156	A	98.9	Very high	98.7	Very high	47 Å²	47	47.3 Å²	47.3	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-66.3	-46.5	179.4	0	0	0	0	0	112.2	V152 Q153 N154 F158 Q159 Q160	V152-A156 WeakPolarHBondContact O-CB 3.35Å; V152-A156 PolarHBondContact O-N 3.37Å; Q153-A156 PolarHBondContact O-N 2.84Å; Q153-A156 VanDerWaalsContact O-N 3.12Å; N154-A156 PolarHBondContact O-N 2.83Å; A156-F158 VanDerWaalsContact C-N 3.3Å; A156-F158 PolarHBondContact O-N 2.91Å; A156-Q159 PolarHBondContact O-N 3.29Å; A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 PolarHBondContact O-N 3.01Å
157	Y	98.9	Very high	98.7	Very high	25 Å²	25	47.3 Å²	47.3	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.5	-82.1	-68.3	0	0	0	111.5	L98 H99 F102 Q153 N154 Y161 G162 F165	L98-Y157 HydrophobicContact CB-CE2 4.07Å; H99-Y157 WeakPolarHBondContact CA-OH 3.2Å; H99-Y157 WeakPolarHBondContact CB-OH 3.4Å; H99-Y157 AromaticContact ND1-CZ 3.99Å; H99-Y157 PolarHBondContact ND1-OH 2.89Å; F102-Y157 HydrophobicContact CB-CD1 4.37Å; F102-Y157 HydrophobicContact CB-CE1 3.86Å; F102-Y157 HydrophobicContact CD1-CE1 4.2Å; F102-Y157 HydrophobicContact CD2-CD1 4.04Å; F102-Y157 HydrophobicContact CD2-CE1 4.09Å; F102-Y157 HydrophobicContact CG-CD1 4.19Å; F102-Y157 AromaticContact CG-CE1 3.78Å; F102-Y157 HydrophobicContact CG-CE1 3.78Å; Q153-Y157 HydrophobicContact CB-CD2 4.35Å; Q153-Y157 HydrophobicContact CB-CE2 4.37Å; Q153-Y157 WeakPolarHBondContact O-CD2 3.3Å; Q153-Y157 PolarHBondContact O-N 3.18Å; N154-Y157 PolarHBondContact O-N 2.7Å; Y157-Y161 HydrophobicContact CD1-CD2 4.14Å; Y157-Y161 WeakPolarHBondContact O-CA 3.41Å; Y157-Y161 WeakPolarHBondContact O-CB 3.2Å; Y157-Y161 PolarHBondContact O-N 3.09Å; Y157-G162 PolarHBondContact O-N 3.12Å; Y157-F165 HydrophobicContact CD1-CE2 4.19Å; Y157-F165 AromaticContact CD2-CD2 3.67Å; Y157-F165 HydrophobicContact CD2-CD2 3.67Å; Y157-F165 AromaticContact CD2-CE2 3.84Å; Y157-F165 HydrophobicContact CD2-CE2 3.84Å; Y157-F165 HydrophobicContact CE2-CD2 4.37Å; Y157-F165 HydrophobicContact CE2-CE2 4.22Å; Y157-F165 AromaticContact CG-CD2 3.83Å; Y157-F165 HydrophobicContact CG-CD2 3.83Å; Y157-F165 AromaticContact CG-CE2 3.85Å; Y157-F165 HydrophobicContact CG-CE2 3.85Å
158	F	98.8	Very high	98.7	Very high	104 Å²	104	47.2 Å²	47.2	46%	0.456	24%	0.239	S	C	.	.	H	α-helix	trans	-64.6	-49.1	175.3	-179.8	-104.8	0	0	0	112.6	N154 R155 A156 Q160 G162 V237	N154-F158 WeakPolarHBondContact O-CB 3.5Å; N154-F158 PolarHBondContact O-N 2.88Å; R155-F158 PolarHBondContact O-N 3.42Å; A156-F158 VanDerWaalsContact C-N 3.3Å; A156-F158 PolarHBondContact O-N 2.91Å; F158-Q160 VanDerWaalsContact C-N 3.33Å; F158-Q160 PolarHBondContact O-N 3.39Å; F158-G162 WeakPolarHBondContact O-CA 3.49Å; F158-G162 PolarHBondContact O-N 2.8Å; F158-V237 HydrophobicContact CB-CG1 4.17Å; F158-V237 HydrophobicContact CB-CG2 3.69Å; F158-V237 HydrophobicContact CD1-CG2 3.89Å; F158-V237 HydrophobicContact CD2-CG2 3.45Å; F158-V237 VanDerWaalsContact CD2-CG2 3.45Å; F158-V237 HydrophobicContact CE1-CG2 4.36Å; F158-V237 HydrophobicContact CE2-CG2 3.97Å; F158-V237 HydrophobicContact CG-CG2 3.4Å; F158-V237 VanDerWaalsContact CG-CG2 3.4Å; F158-V237 HydrophobicContact CZ-CG2 4.39Å
159	Q	98.7	Very high	98.7	Very high	175 Å²	175	46.8 Å²	46.8	82%	0.818	24%	0.238	S	C	*	.	H	α-helix	trans	-61	-42	-178.5	-174	-160	-29.9	0	0	112	R155 A156	R155-Q159 WeakPolarHBondContact O-CB 3.36Å; R155-Q159 PolarHBondContact O-N 2.93Å; A156-Q159 PolarHBondContact O-N 3.29Å
160	Q	98.8	Very high	98.7	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-88.1	-33	-172.7	-172.2	167	-39	0	0	113.2	A156 F158	A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 PolarHBondContact O-N 3.01Å; F158-Q160 VanDerWaalsContact C-N 3.33Å; F158-Q160 PolarHBondContact O-N 3.39Å
161	Y	98.5	Very high	98.6	Very high	125 Å²	125	44.7 Å²	44.7	49%	0.49	23%	0.229	S	C	.	.	H	α-helix	trans	-129.9	-2.9	-170.5	-59.3	-73.6	0	0	0	114.4	F102 Y157 C163	F102-Y161 AromaticContact CE2-CD1 3.91Å; F102-Y161 HydrophobicContact CE2-CD1 3.91Å; F102-Y161 AromaticContact CE2-CD2 3.85Å; F102-Y161 HydrophobicContact CE2-CD2 3.85Å; F102-Y161 HydrophobicContact CE2-CE1 4.35Å; F102-Y161 HydrophobicContact CE2-CE2 4.3Å; F102-Y161 AromaticContact CE2-CG 3.63Å; F102-Y161 HydrophobicContact CE2-CG 3.63Å; F102-Y161 AromaticContact CZ-CD1 3.89Å; F102-Y161 HydrophobicContact CZ-CD1 3.89Å; F102-Y161 HydrophobicContact CZ-CD2 4.08Å; F102-Y161 AromaticContact CZ-CE1 3.86Å; F102-Y161 HydrophobicContact CZ-CE1 3.86Å; F102-Y161 HydrophobicContact CZ-CE2 4.06Å; F102-Y161 AromaticContact CZ-CG 3.98Å; F102-Y161 HydrophobicContact CZ-CG 3.98Å; F102-Y161 AromaticContact CZ-CZ 3.93Å; Y157-Y161 HydrophobicContact CD1-CD2 4.14Å; Y157-Y161 WeakPolarHBondContact O-CA 3.41Å; Y157-Y161 WeakPolarHBondContact O-CB 3.2Å; Y157-Y161 PolarHBondContact O-N 3.09Å; Y161-C163 PolarHBondContact O-N 2.79Å
162	G	97.9	Very high	98.5	Very high	48 Å²	48	46.6 Å²	46.6	50%	0.495	24%	0.239	S	C	.	.			trans	70.2	14.2	-177.9	0	0	0	0	0	114.5	Y157 F158	Y157-G162 PolarHBondContact O-N 3.12Å; F158-G162 WeakPolarHBondContact O-CA 3.49Å; F158-G162 PolarHBondContact O-N 2.8Å
163	C	97.3	Very high	98.5	Very high	22 Å²	22	44.7 Å²	44.7	15%	0.149	23%	0.227	C	C	.	.			trans	-67.9	134.4	-178.3	-57.8	0	0	0	0	111.9	Y161 F165	Y161-C163 PolarHBondContact O-N 2.79Å; C163-F165 VanDerWaalsContact C-N 3.25Å; C163-F165 HydrophobicContact CB-CD1 3.97Å; C163-F165 HydrophobicContact CB-CE1 3.92Å; C163-F165 HydrophobicContact CB-CG 4.29Å; C163-F165 HydrophobicContact CB-CZ 4.23Å; C163-F165 PolarHBondContact O-N 3.12Å
164	T	98.4	Very high	98.4	Very high	38 Å²	38	43.4 Å²	43.4	23%	0.233	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	68.6	175	-47.7	0	0	0	0	110.6	K108 V109	K108-T164 WeakPolarHBondContact CA-O 3.34Å; K108-T164 HydrophobicContact CD-CG2 4.42Å; K108-T164 HydrophobicContact CG-CG2 4.22Å; K108-T164 WeakPolarHBondContact CG-O 3.5Å; V109-T164 PolarHBondContact N-O 3.34Å
165	F	98.9	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.1	171.3	-65.2	1	0	0	0	108.5	L98 A101 F102 V109 N154 Y157 C163	L98-F165 HydrophobicContact CD2-CD2 4.21Å; A101-F165 HydrophobicContact CB-CZ 4.32Å; F102-F165 HydrophobicContact CB-CE2 4.28Å; F102-F165 HydrophobicContact CB-CZ 4.08Å; V109-F165 HydrophobicContact CB-CB 4.39Å; V109-F165 HydrophobicContact CB-CD1 3.61Å; V109-F165 HydrophobicContact CB-CE1 4.01Å; V109-F165 HydrophobicContact CB-CG 3.93Å; V109-F165 HydrophobicContact CG2-CD1 3.49Å; V109-F165 VanDerWaalsContact CG2-CD1 3.49Å; V109-F165 HydrophobicContact CG2-CD2 4.48Å; V109-F165 HydrophobicContact CG2-CE1 3.32Å; V109-F165 HydrophobicContact CG2-CE2 4.32Å; V109-F165 HydrophobicContact CG2-CG 4.11Å; V109-F165 HydrophobicContact CG2-CZ 3.77Å; V109-F165 WeakPolarHBondContact O-CA 3.37Å; N154-F165 HydrophobicContact CB-CB 4.21Å; N154-F165 WeakPolarHBondContact CB-O 3.4Å; Y157-F165 HydrophobicContact CD1-CE2 4.19Å; Y157-F165 AromaticContact CD2-CD2 3.67Å; Y157-F165 HydrophobicContact CD2-CD2 3.67Å; Y157-F165 AromaticContact CD2-CE2 3.84Å; Y157-F165 HydrophobicContact CD2-CE2 3.84Å; Y157-F165 HydrophobicContact CE2-CD2 4.37Å; Y157-F165 HydrophobicContact CE2-CE2 4.22Å; Y157-F165 AromaticContact CG-CD2 3.83Å; Y157-F165 HydrophobicContact CG-CD2 3.83Å; Y157-F165 AromaticContact CG-CE2 3.85Å; Y157-F165 HydrophobicContact CG-CE2 3.85Å; C163-F165 VanDerWaalsContact C-N 3.25Å; C163-F165 HydrophobicContact CB-CD1 3.97Å; C163-F165 HydrophobicContact CB-CE1 3.92Å; C163-F165 HydrophobicContact CB-CG 4.29Å; C163-F165 HydrophobicContact CB-CZ 4.23Å; C163-F165 PolarHBondContact O-N 3.12Å
166	T	98.9	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	179.7	-176.2	-168.8	0	0	0	0	110.2	V109 V110 S111 N154 Y234 E236	V109-T166 PolarHBondContact O-N 3.37Å; V110-T166 HydrophobicContact CB-CG2 4.49Å; V110-T166 HydrophobicContact CG1-CG2 4.47Å; V110-T166 HydrophobicContact CG2-CG2 3.94Å; S111-T166 PolarHBondContact N-O 3.1Å; N154-T166 WeakPolarHBondContact ND2-CA 3.31Å; N154-T166 PolarHBondContact ND2-O 3.07Å; N154-T166 VanDerWaalsContact ND2-O 3.11Å; T166-Y234 HydrophobicContact CG2-CD1 4.41Å; T166-E236 WeakPolarHBondContact CB-O 2.99Å; T166-E236 PolarHBondContact OG1-O 3.11Å
167	A	98.9	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.7	176.3	0	0	0	0	0	112.9	S111 L113 P239 I240	S111-A167 CarbonylContact O-C 3.54Å; S111-A167 WeakPolarHBondContact O-CA 3.47Å; S111-A167 WeakPolarHBondContact O-CB 3.11Å; L113-A167 HydrophobicContact CD1-CB 3.77Å; L113-A167 HydrophobicContact CG-CB 3.74Å; A167-P239 HydrophobicContact CB-CB 4.48Å; A167-P239 HydrophobicContact CB-CG 4.45Å; A167-P239 WeakPolarHBondContact O-CA 3.13Å; A167-P239 WeakPolarHBondContact O-CB 3.4Å; A167-I240 PolarHBondContact O-N 3.34Å; A167-I240 VanDerWaalsContact O-N 3.14Å
168	V	98.9	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.3	171	-57.5	0	0	0	0	110.4	V110 S111 L113 P170 F227 V230 I240 L242	V110-V168 HydrophobicContact CG1-CG1 3.9Å; S111-V168 PolarHBondContact O-N 3.35Å; L113-V168 WeakPolarHBondContact CB-O 3.28Å; L113-V168 PolarHBondContact N-O 3.37Å; V168-P170 WeakPolarHBondContact O-CD 3.26Å; V168-F227 HydrophobicContact CB-CZ 4.49Å; V168-F227 HydrophobicContact CG2-CD1 4.2Å; V168-F227 HydrophobicContact CG2-CD2 4.31Å; V168-F227 HydrophobicContact CG2-CE1 3.42Å; V168-F227 VanDerWaalsContact CG2-CE1 3.42Å; V168-F227 HydrophobicContact CG2-CE2 3.56Å; V168-F227 HydrophobicContact CG2-CZ 3.05Å; V168-V230 HydrophobicContact CG1-CB 4.14Å; V168-V230 HydrophobicContact CG1-CG1 3.73Å; V168-V230 HydrophobicContact CG1-CG2 3.78Å; V168-I240 CarbonylContact C-O 3.2Å; V168-I240 VanDerWaalsContact CA-O 3.32Å; V168-I240 WeakPolarHBondContact CA-O 3.48Å; V168-I240 HydrophobicContact CG1-CG2 3.93Å; V168-L242 HydrophobicContact CB-CD1 3.64Å; V168-L242 HydrophobicContact CB-CG 3.94Å; V168-L242 HydrophobicContact CG1-CD1 3.66Å; V168-L242 HydrophobicContact CG1-CG 4.16Å; V168-L242 HydrophobicContact CG2-CD1 4.04Å
169	I	98.9	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	87.4	178.6	-54	162.3	0	0	0	108.5	L113 T115 F118 E128 I131 P239 I240 I241 L242	L113-I169 HydrophobicContact CB-CB 4.45Å; L113-I169 HydrophobicContact CB-CG1 3.78Å; L113-I169 HydrophobicContact CD1-CD1 4.27Å; L113-I169 HydrophobicContact CD1-CG1 3.77Å; L113-I169 HydrophobicContact CG-CG1 4.33Å; T115-I169 HydrophobicContact CG2-CG2 4.04Å; F118-I169 HydrophobicContact CE2-CG2 3.92Å; F118-I169 HydrophobicContact CZ-CD1 4.04Å; F118-I169 HydrophobicContact CZ-CG2 4.45Å; E128-I169 HydrophobicContact CG-CD1 4.27Å; I131-I169 HydrophobicContact CD1-CD1 3.7Å; I131-I169 HydrophobicContact CG1-CD1 4.22Å; I169-P239 HydrophobicContact CD1-CB 3.65Å; I169-P239 HydrophobicContact CD1-CG 4.42Å; I169-P239 HydrophobicContact CG1-CB 3.98Å; I169-I240 PolarHBondContact N-O 2.94Å; I169-I241 HydrophobicContact CB-CG1 3.96Å; I169-I241 HydrophobicContact CD1-CG1 4.15Å; I169-I241 HydrophobicContact CG2-CG1 4.3Å; I169-I241 WeakPolarHBondContact O-CA 3.48Å; I169-L242 PolarHBondContact O-N 3.22Å
170	P	98.4	Very high	97.9	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	151.9	171.8	30.1	-34.1	0	0	0	111.4	V168 V173 L223 L242	V168-P170 WeakPolarHBondContact O-CD 3.26Å; P170-V173 HydrophobicContact CB-CG2 3.81Å; P170-V173 HydrophobicContact CG-CG2 4.26Å; P170-L223 HydrophobicContact CB-CD1 4.01Å; P170-L223 HydrophobicContact CB-CD2 3.81Å; P170-L223 HydrophobicContact CG-CD2 4.37Å; P170-L242 WeakPolarHBondContact CA-O 3.4Å
171	T	97	Very high	97.7	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	13%	0.13	C	C	.	.			trans	-80.8	-143.1	167.9	48.6	0	0	0	0	110.9	T115 V173 Q216 S243 A284	T115-T171 HydrophobicContact CG2-CG2 3.69Å; T171-V173 PolarHBondContact O-N 3.05Å; T171-V173 VanDerWaalsContact O-N 3.09Å; T171-Q216 VanDerWaalsContact CB-O 3.29Å; T171-Q216 WeakPolarHBondContact CB-O 3.33Å; T171-Q216 HydrophobicContact CG2-CB 3.92Å; T171-Q216 PolarHBondContact OG1-O 3.34Å; T171-S243 VanDerWaalsContact CG2-OG 3.25Å; T171-S243 WeakPolarHBondContact CG2-OG 3.36Å; T171-S243 PolarHBondContact OG1-OG 3.3Å; T171-A284 HydrophobicContact CG2-CB 4.13Å
172	N	96.7	Very high	97.3	Very high	40 Å²	40	19.5 Å²	19.5	21%	0.214	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	98.1	-178.1	-73.4	89	0	0	0	110.6	Q216 F217 I218	N172-Q216 WeakPolarHBondContact CB-O 3.29Å; N172-Q216 PolarHBondContact N-O 3Å; N172-F217 HydrophobicContact CB-CD1 3.5Å; N172-F217 VanDerWaalsContact CB-CD1 3.5Å; N172-F217 HydrophobicContact CB-CE1 3.7Å; N172-F217 HydrophobicContact CB-CG 4.24Å; N172-F217 VanDerWaalsContact O-CA 3.28Å; N172-F217 WeakPolarHBondContact O-CA 3.35Å; N172-I218 PolarHBondContact O-N 2.88Å
173	V	98.2	Very high	96.7	Very high	25 Å²	25	24 Å²	24	15%	0.152	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.7	177.8	-161.5	0	0	0	0	110.9	L18 V19 P170 T171 I218 L223	L18-V173 HydrophobicContact CD2-CB 3.99Å; L18-V173 HydrophobicContact CD2-CG1 3.72Å; L18-V173 HydrophobicContact CG-CG1 4.26Å; V19-V173 HydrophobicContact CG2-CG1 4.26Å; P170-V173 HydrophobicContact CB-CG2 3.81Å; P170-V173 HydrophobicContact CG-CG2 4.26Å; T171-V173 PolarHBondContact O-N 3.05Å; T171-V173 VanDerWaalsContact O-N 3.09Å; V173-I218 WeakPolarHBondContact CA-O 3.36Å; V173-I218 HydrophobicContact CB-CG2 4.35Å; V173-I218 HydrophobicContact CG2-CG2 3.93Å; V173-L223 HydrophobicContact CB-CD2 4.3Å; V173-L223 HydrophobicContact CG1-CD2 3.73Å; V173-L223 HydrophobicContact CG2-CD2 3.5Å
174	F	98.6	Very high	95.8	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.3	170.2	75.1	-78.7	0	0	0	111.4	L188 F217 I218 Y219 S220 F301 A304 V305 T308	F174-L188 HydrophobicContact CB-CD2 3.8Å; F174-L188 HydrophobicContact CB-CG 4.47Å; F174-L188 HydrophobicContact CD1-CD2 3.77Å; F174-L188 HydrophobicContact CD2-CD2 3.6Å; F174-L188 HydrophobicContact CE1-CD2 4.2Å; F174-L188 HydrophobicContact CE2-CD2 4.03Å; F174-L188 HydrophobicContact CG-CD2 3.44Å; F174-L188 VanDerWaalsContact CG-CD2 3.44Å; F174-L188 HydrophobicContact CG-CG 4.49Å; F174-L188 HydrophobicContact CZ-CD2 4.29Å; F174-F217 HydrophobicContact CD1-CB 3.96Å; F174-F217 HydrophobicContact CD1-CD1 4.29Å; F174-F217 HydrophobicContact CE1-CB 3.81Å; F174-I218 WeakPolarHBondContact CD1-O 3.38Å; F174-I218 PolarHBondContact N-O 3.21Å; F174-Y219 HydrophobicContact CD2-CD2 4.37Å; F174-Y219 HydrophobicContact CE2-CD2 4.04Å; F174-Y219 HydrophobicContact CZ-CD2 4.21Å; F174-Y219 WeakPolarHBondContact O-CD2 3.39Å; F174-S220 WeakPolarHBondContact O-CB 3.48Å; F174-S220 PolarHBondContact O-N 3.01Å; F174-S220 PolarHBondContact O-OG 3.01Å; F174-F301 HydrophobicContact CE1-CD2 4.2Å; F174-F301 HydrophobicContact CE1-CE2 4.18Å; F174-F301 HydrophobicContact CZ-CD2 4.09Å; F174-F301 HydrophobicContact CZ-CE2 4.15Å; F174-A304 HydrophobicContact CE2-CB 3.87Å; F174-A304 HydrophobicContact CZ-CB 3.51Å; F174-V305 HydrophobicContact CE2-CG2 3.9Å; F174-V305 HydrophobicContact CZ-CG2 4.08Å; F174-T308 HydrophobicContact CD2-CG2 4.42Å
175	G	98.6	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.			trans	156.3	-169.6	175.5	0	0	0	0	0	114.3	D178 T308	G175-D178 WeakPolarHBondContact O-CB 3.18Å; G175-D178 PolarHBondContact O-N 3.25Å; G175-T308 WeakPolarHBondContact CA-OG1 3.46Å
176	P	98.4	Very high	94.4	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	146.4	171.4	-30.1	38.2	0	0	0	113.2	L18 D178 W311	L18-P176 WeakPolarHBondContact CD1-O 3.37Å; P176-D178 PolarHBondContact O-N 3.47Å; P176-W311 HydrophobicContact CB-CB 4.43Å; P176-W311 HydrophobicContact CB-CD2 3.65Å; P176-W311 HydrophobicContact CB-CE3 4.26Å; P176-W311 HydrophobicContact CB-CG 3.68Å; P176-W311 HydrophobicContact CG-CB 4.14Å; P176-W311 HydrophobicContact CG-CD2 4.33Å; P176-W311 HydrophobicContact CG-CG 3.89Å
177	H	97.9	Very high	94	Very high	72 Å²	72	30.4 Å²	30.4	33%	0.333	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	16.5	180	-49	-79.9	0	0	0	116.4	K21 W311	K21-H177 HydrophobicContact CB-CB 4.07Å; K21-H177 HydrophobicContact CG-CB 4.01Å; H177-W311 HydrophobicContact CB-CH2 4.48Å; H177-W311 AromaticContact CE1-CZ2 3.47Å; H177-W311 VanDerWaalsContact CE1-CZ2 3.47Å; H177-W311 WeakPolarHBondContact CE1-CZ2 3.24Å; H177-W311 AromaticContact CG-CZ2 3.78Å; H177-W311 VanDerWaalsContact N-CH2 3.25Å; H177-W311 VanDerWaalsContact N-CZ3 3.33Å; H177-W311 AromaticContact ND1-CH2 3.89Å; H177-W311 AromaticContact ND1-CZ2 3.35Å; H177-W311 WeakPolarHBondContact ND1-CZ2 3.19Å; H177-W311 AromaticContact NE2-CZ2 3.97Å
178	D	96.8	Very high	93.9	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	16%	0.161	C	C	.	.			trans	-64.6	173	170.5	-149.3	-18.8	0	0	0	112.5	L18 G175 P176 F180 P189	L18-D178 HydrophobicContact CD1-CB 4.15Å; L18-D178 HydrophobicContact CD2-CB 4.34Å; G175-D178 WeakPolarHBondContact O-CB 3.18Å; G175-D178 PolarHBondContact O-N 3.25Å; P176-D178 PolarHBondContact O-N 3.47Å; D178-F180 HydrophobicContact CB-CD2 4.28Å; D178-F180 HydrophobicContact CB-CE2 3.72Å; D178-F180 HydrophobicContact CB-CZ 3.97Å; D178-F180 VanDerWaalsContact O-CD2 3.28Å; D178-F180 WeakPolarHBondContact O-CD2 3.18Å; D178-P189 HydrophobicContact CB-CB 4.11Å; D178-P189 HydrophobicContact CB-CG 4.48Å; D178-P189 WeakPolarHBondContact OD2-CG 3.36Å
179	N	94.2	Very high	93.8	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-89.5	101.5	166.8	-174.3	23.3	0	0	0	110.1	N181	N179-N181 VanDerWaalsContact C-N 3.26Å; N179-N181 PolarHBondContact O-N 2.71Å; N179-N181 WeakPolarHBondContact OD1-CB 3.32Å; N179-N181 PolarHBondContact OD1-N 3.42Å
180	F	96.3	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.			trans	-86.6	10.1	179.5	-62.1	-95.6	0	0	0	113.3	D178 I182 P189 I192 H193 T308 W311 F312 A319 R320	D178-F180 HydrophobicContact CB-CD2 4.28Å; D178-F180 HydrophobicContact CB-CE2 3.72Å; D178-F180 HydrophobicContact CB-CZ 3.97Å; D178-F180 VanDerWaalsContact O-CD2 3.28Å; D178-F180 WeakPolarHBondContact O-CD2 3.18Å; F180-I182 PolarHBondContact O-N 3.01Å; F180-P189 HydrophobicContact CD1-CB 3.57Å; F180-P189 WeakPolarHBondContact CD1-O 3.42Å; F180-P189 HydrophobicContact CE1-CB 3.81Å; F180-P189 HydrophobicContact CG-CB 4.01Å; F180-P189 HydrophobicContact CZ-CB 4.43Å; F180-I192 HydrophobicContact CD1-CB 4.28Å; F180-I192 HydrophobicContact CD1-CG2 4.24Å; F180-I192 HydrophobicContact CE1-CB 4.23Å; F180-I192 HydrophobicContact CE1-CD1 4.11Å; F180-I192 HydrophobicContact CE1-CG2 4.05Å; F180-H193 HydrophobicContact CB-CB 4.29Å; F180-H193 WeakPolarHBondContact O-CB 3.32Å; F180-H193 PolarHBondContact O-ND1 2.86Å; F180-T308 HydrophobicContact CE1-CG2 4.43Å; F180-T308 HydrophobicContact CZ-CG2 4.22Å; F180-W311 HydrophobicContact CE2-CE3 4.29Å; F180-W311 AromaticContact CE2-CZ3 3.7Å; F180-W311 HydrophobicContact CE2-CZ3 3.7Å; F180-W311 HydrophobicContact CZ-CE3 4.31Å; F180-W311 HydrophobicContact CZ-CZ3 4.17Å; F180-F312 HydrophobicContact CB-CD2 4.12Å; F180-F312 HydrophobicContact CB-CE2 3.45Å; F180-F312 VanDerWaalsContact CB-CE2 3.45Å; F180-F312 HydrophobicContact CB-CZ 4.06Å; F180-F312 AromaticContact CD1-CD2 3.43Å; F180-F312 HydrophobicContact CD1-CD2 3.43Å; F180-F312 VanDerWaalsContact CD1-CD2 3.43Å; F180-F312 AromaticContact CD1-CE2 3.61Å; F180-F312 HydrophobicContact CD1-CE2 3.61Å; F180-F312 AromaticContact CD1-CG 3.98Å; F180-F312 HydrophobicContact CD1-CG 3.98Å; F180-F312 HydrophobicContact CD1-CZ 4.27Å; F180-F312 AromaticContact CD2-CD2 3.69Å; F180-F312 HydrophobicContact CD2-CD2 3.69Å; F180-F312 AromaticContact CD2-CE2 3.84Å; F180-F312 HydrophobicContact CD2-CE2 3.84Å; F180-F312 HydrophobicContact CE1-CB 4.06Å; F180-F312 AromaticContact CE1-CD2 3.65Å; F180-F312 HydrophobicContact CE1-CD2 3.65Å; F180-F312 HydrophobicContact CE1-CE2 4.31Å; F180-F312 AromaticContact CE1-CG 3.95Å; F180-F312 HydrophobicContact CE1-CG 3.95Å; F180-F312 AromaticContact CE2-CD2 3.91Å; F180-F312 HydrophobicContact CE2-CD2 3.91Å; F180-F312 AromaticContact CG-CD2 3.46Å; F180-F312 HydrophobicContact CG-CD2 3.46Å; F180-F312 VanDerWaalsContact CG-CD2 3.46Å; F180-F312 AromaticContact CG-CE2 3.35Å; F180-F312 HydrophobicContact CG-CE2 3.35Å; F180-F312 HydrophobicContact CG-CG 4.45Å; F180-F312 HydrophobicContact CG-CZ 4.24Å; F180-F312 HydrophobicContact CZ-CB 4.24Å; F180-F312 AromaticContact CZ-CD2 3.9Å; F180-F312 HydrophobicContact CZ-CD2 3.9Å; F180-F312 HydrophobicContact CZ-CG 4.38Å; F180-A319 HydrophobicContact CD2-CB 4.44Å; F180-R320 WeakPolarHBondContact CA-O 3.4Å; F180-R320 WeakPolarHBondContact CB-O 3.19Å; F180-R320 PolarHBondContact N-O 3.38Å
181	N	93.9	Very high	93.5	Very high	41 Å²	41	31 Å²	31	22%	0.219	16%	0.164	C	C	.	.			trans	-61	132.2	173.3	-172.9	-83.7	0	0	0	111.4	N179 E183 D184 G185 K321	N179-N181 VanDerWaalsContact C-N 3.26Å; N179-N181 PolarHBondContact O-N 2.71Å; N179-N181 WeakPolarHBondContact OD1-CB 3.32Å; N179-N181 PolarHBondContact OD1-N 3.42Å; N181-E183 PolarHBondContact O-N 3.13Å; N181-E183 PolarHBondContact OD1-N 2.92Å; N181-D184 HydrophobicContact CB-CB 4.23Å; N181-D184 WeakPolarHBondContact OD1-CB 3.41Å; N181-D184 PolarHBondContact OD1-N 2.89Å; N181-G185 WeakPolarHBondContact O-CA 3.48Å; N181-G185 PolarHBondContact O-N 2.74Å; N181-K321 WeakPolarHBondContact CA-OXT 3.35Å; N181-K321 VanDerWaalsContact CB-OXT 3.28Å; N181-K321 WeakPolarHBondContact CB-OXT 3.37Å; N181-K321 PolarHBondContact ND2-OXT 3.33Å
182	I	91.1	Very high	93.6	Very high	48 Å²	48	30.5 Å²	30.5	25%	0.246	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.3	-172.3	-68.7	170.3	0	0	0	112.2	F180 H193 K194 L197	F180-I182 PolarHBondContact O-N 3.01Å; I182-H193 HydrophobicContact CD1-CB 4.46Å; I182-H193 HydrophobicContact CG1-CB 4.15Å; I182-K194 HydrophobicContact CD1-CG 4.07Å; I182-K194 HydrophobicContact CG1-CG 4.22Å; I182-K194 HydrophobicContact CG2-CG 4.29Å; I182-L197 HydrophobicContact CD1-CD1 3.54Å
183	E	85.1	Confident	93.7	Very high	143 Å²	143	29.1 Å²	29.1	67%	0.668	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-42.7	-177.7	-59.6	-171.5	167.4	0	0	111.8	N181	N181-E183 PolarHBondContact O-N 3.13Å; N181-E183 PolarHBondContact OD1-N 2.92Å
184	D	78.5	Confident	93.7	Very high	49 Å²	49	29.6 Å²	29.6	26%	0.262	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-11.9	-173.3	-87.4	-3.9	0	0	0	114	G75 R78 N181	G75-D184 WeakPolarHBondContact CA-O 3.49Å; G75-D184 PolarHBondContact N-O 2.87Å; R78-D184 IonicContact CZ-OD2 3.23Å; R78-D184 IonicContact NH1-OD2 2.87Å; R78-D184 PolarHBondContact NH1-OD2 2.99Å; N181-D184 HydrophobicContact CB-CB 4.23Å; N181-D184 WeakPolarHBondContact OD1-CB 3.41Å; N181-D184 PolarHBondContact OD1-N 2.89Å
185	G	78.8	Confident	93.6	Very high	14 Å²	14	29.5 Å²	29.5	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	-82.9	176.8	-175.6	0	0	0	0	0	114.5	N181	N181-G185 WeakPolarHBondContact O-CA 3.48Å; N181-G185 PolarHBondContact O-N 2.74Å
186	H	87.7	Confident	93.6	Very high	76 Å²	76	31 Å²	31	35%	0.352	16%	0.16	S	C	.	.			trans	-83	165.5	171.3	-62.3	127.2	0	0	0	111.1	L188 P189 G190	H186-L188 PolarHBondContact O-N 2.92Å; H186-P189 HydrophobicContact CB-CG 3.88Å; H186-P189 WeakPolarHBondContact O-CD 3.4Å; H186-P189 WeakPolarHBondContact O-CG 3.44Å; H186-G190 PolarHBondContact O-N 2.81Å
187	V	91.7	Very high	93.6	Very high	56 Å²	56	33.3 Å²	33.3	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-56.4	-48.7	-172.7	64.6	0	0	0	0	113.3	G190 L191 F217 I252	V187-G190 PolarHBondContact O-N 2.86Å; V187-L191 HydrophobicContact CG2-CD1 4.12Å; V187-L191 WeakPolarHBondContact O-CB 3.45Å; V187-L191 VanDerWaalsContact O-CG 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.32Å; V187-F217 HydrophobicContact CG1-CE1 4.04Å; V187-F217 HydrophobicContact CG1-CZ 3.93Å; V187-I252 HydrophobicContact CG1-CD1 4.06Å; V187-I252 HydrophobicContact CG2-CD1 3.94Å; V187-I252 HydrophobicContact CG2-CG2 4.11Å
188	L	95.9	Very high	93.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-48.8	-175.2	-165.2	57.6	0	0	0	113.5	F174 H186 G190 L191 I192 F217 A255 V259 F301 V305	F174-L188 HydrophobicContact CB-CD2 3.8Å; F174-L188 HydrophobicContact CB-CG 4.47Å; F174-L188 HydrophobicContact CD1-CD2 3.77Å; F174-L188 HydrophobicContact CD2-CD2 3.6Å; F174-L188 HydrophobicContact CE1-CD2 4.2Å; F174-L188 HydrophobicContact CE2-CD2 4.03Å; F174-L188 HydrophobicContact CG-CD2 3.44Å; F174-L188 VanDerWaalsContact CG-CD2 3.44Å; F174-L188 HydrophobicContact CG-CG 4.49Å; F174-L188 HydrophobicContact CZ-CD2 4.29Å; H186-L188 PolarHBondContact O-N 2.92Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.85Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.48Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 3.32Å; L188-F217 HydrophobicContact CB-CD1 4.45Å; L188-F217 HydrophobicContact CB-CE1 3.88Å; L188-F217 HydrophobicContact CB-CZ 4.49Å; L188-F217 HydrophobicContact CD2-CD1 3.84Å; L188-F217 HydrophobicContact CD2-CE1 4.01Å; L188-F217 HydrophobicContact CD2-CG 4.35Å; L188-A255 HydrophobicContact CD1-CB 4.25Å; L188-V259 HydrophobicContact CD1-CG2 3.66Å; L188-F301 HydrophobicContact CD2-CE2 4.08Å; L188-F301 HydrophobicContact CD2-CZ 4.39Å; L188-V305 HydrophobicContact CD2-CG2 4.27Å
189	P	96.2	Very high	93.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-33.6	173.8	28.2	-38	0	0	0	112.3	D178 F180 H186 I192 H193	D178-P189 HydrophobicContact CB-CB 4.11Å; D178-P189 HydrophobicContact CB-CG 4.48Å; D178-P189 WeakPolarHBondContact OD2-CG 3.36Å; F180-P189 HydrophobicContact CD1-CB 3.57Å; F180-P189 WeakPolarHBondContact CD1-O 3.42Å; F180-P189 HydrophobicContact CE1-CB 3.81Å; F180-P189 HydrophobicContact CG-CB 4.01Å; F180-P189 HydrophobicContact CZ-CB 4.43Å; H186-P189 HydrophobicContact CB-CG 3.88Å; H186-P189 WeakPolarHBondContact O-CD 3.4Å; H186-P189 WeakPolarHBondContact O-CG 3.44Å; P189-I192 PolarHBondContact O-N 3.01Å; P189-H193 PolarHBondContact O-N 3.35Å
190	G	95.5	Very high	93.6	Very high	7 Å²	7	37.6 Å²	37.6	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-38.8	172.5	0	0	0	0	0	113.1	H186 V187 L188 H193 K194	H186-G190 PolarHBondContact O-N 2.81Å; V187-G190 PolarHBondContact O-N 2.86Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.85Å; G190-H193 PolarHBondContact O-N 3.17Å; G190-K194 WeakPolarHBondContact O-CB 3.33Å; G190-K194 VanDerWaalsContact O-CG 3.27Å; G190-K194 WeakPolarHBondContact O-CG 3.41Å; G190-K194 PolarHBondContact O-N 3.44Å
191	L	97.4	Very high	93.5	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-44.3	173.7	-75.8	169.5	0	0	0	111.8	V187 L188 H193 K194 V195 V207 A256 V259	V187-L191 HydrophobicContact CG2-CD1 4.12Å; V187-L191 WeakPolarHBondContact O-CB 3.45Å; V187-L191 VanDerWaalsContact O-CG 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.32Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.48Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 3.35Å; L191-K194 PolarHBondContact O-N 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.4Å; L191-V195 PolarHBondContact O-N 3.16Å; L191-V207 HydrophobicContact CD2-CB 4.45Å; L191-V207 HydrophobicContact CD2-CG1 4.18Å; L191-V207 HydrophobicContact CD2-CG2 3.82Å; L191-A256 HydrophobicContact CD1-CB 4.12Å; L191-A256 HydrophobicContact CD2-CB 4.25Å; L191-V259 HydrophobicContact CB-CG2 4.44Å
192	I	98.5	Very high	93.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-47.6	176.6	-66.2	170.7	0	0	0	110.3	F180 L188 P189 V195 H196 V259 M263 T308 F312	F180-I192 HydrophobicContact CD1-CB 4.28Å; F180-I192 HydrophobicContact CD1-CG2 4.24Å; F180-I192 HydrophobicContact CE1-CB 4.23Å; F180-I192 HydrophobicContact CE1-CD1 4.11Å; F180-I192 HydrophobicContact CE1-CG2 4.05Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 3.32Å; P189-I192 PolarHBondContact O-N 3.01Å; I192-V195 PolarHBondContact O-N 3.42Å; I192-H196 WeakPolarHBondContact O-CB 3.46Å; I192-H196 PolarHBondContact O-N 2.85Å; I192-V259 HydrophobicContact CB-CG1 4.44Å; I192-V259 HydrophobicContact CG1-CG1 3.91Å; I192-V259 HydrophobicContact CG1-CG2 3.91Å; I192-M263 HydrophobicContact CG2-SD 4.05Å; I192-T308 HydrophobicContact CD1-CG2 3.79Å; I192-F312 HydrophobicContact CG2-CB 3.97Å; I192-F312 HydrophobicContact CG2-CD1 3.57Å; I192-F312 HydrophobicContact CG2-CE1 4.22Å; I192-F312 HydrophobicContact CG2-CG 3.85Å
193	H	98.1	Very high	93.9	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-41.5	178.5	-167.1	-176	0	0	0	112.3	F180 I182 P189 G190 L191 V195 H196 L197 F312 Y316	F180-H193 HydrophobicContact CB-CB 4.29Å; F180-H193 WeakPolarHBondContact O-CB 3.32Å; F180-H193 PolarHBondContact O-ND1 2.86Å; I182-H193 HydrophobicContact CD1-CB 4.46Å; I182-H193 HydrophobicContact CG1-CB 4.15Å; P189-H193 PolarHBondContact O-N 3.35Å; G190-H193 PolarHBondContact O-N 3.17Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 3.35Å; H193-V195 VanDerWaalsContact C-N 3.34Å; H193-V195 PolarHBondContact O-N 3.45Å; H193-H196 WeakPolarHBondContact O-CB 3.38Å; H193-H196 PolarHBondContact O-N 3.31Å; H193-L197 WeakPolarHBondContact O-CG 3.33Å; H193-L197 PolarHBondContact O-N 3.3Å; H193-F312 HydrophobicContact CB-CE1 4.32Å; H193-F312 HydrophobicContact CB-CZ 3.94Å; H193-F312 AromaticContact CD2-CZ 3.75Å; H193-F312 AromaticContact CG-CZ 3.83Å; H193-Y316 AromaticContact CD2-CE2 3.9Å; H193-Y316 AromaticContact NE2-CE2 3.72Å; H193-Y316 AromaticContact NE2-CZ 3.87Å; H193-Y316 PolarHBondContact NE2-OH 3.45Å; H193-Y316 VanDerWaalsContact NE2-OH 3.1Å
194	K	97.6	Very high	94.4	Very high	35 Å²	35	38.4 Å²	38.4	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-41.5	175.8	-76.3	177.4	173.6	-169.1	0	112.4	I182 G190 L191 L197 A198 L205 T206	I182-K194 HydrophobicContact CD1-CG 4.07Å; I182-K194 HydrophobicContact CG1-CG 4.22Å; I182-K194 HydrophobicContact CG2-CG 4.29Å; G190-K194 WeakPolarHBondContact O-CB 3.33Å; G190-K194 VanDerWaalsContact O-CG 3.27Å; G190-K194 WeakPolarHBondContact O-CG 3.41Å; G190-K194 PolarHBondContact O-N 3.44Å; L191-K194 PolarHBondContact O-N 3.25Å; K194-L197 PolarHBondContact O-N 2.97Å; K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.49Å; K194-A198 PolarHBondContact O-N 3.12Å; K194-L205 HydrophobicContact CB-CD1 3.6Å; K194-T206 PolarHBondContact NZ-O 2.83Å
195	V	98.2	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-41.9	176.5	173.3	0	0	0	0	111.1	L191 I192 H193 L197 A198 K199 L205 V259 V260 M263 F265	L191-V195 WeakPolarHBondContact O-CG2 3.4Å; L191-V195 PolarHBondContact O-N 3.16Å; I192-V195 PolarHBondContact O-N 3.42Å; H193-V195 VanDerWaalsContact C-N 3.34Å; H193-V195 PolarHBondContact O-N 3.45Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.01Å; V195-A198 PolarHBondContact O-N 2.74Å; V195-K199 WeakPolarHBondContact O-CB 3.32Å; V195-K199 PolarHBondContact O-N 2.83Å; V195-L205 HydrophobicContact CG2-CD1 3.75Å; V195-L205 HydrophobicContact CG2-CD2 3.62Å; V195-L205 HydrophobicContact CG2-CG 4.23Å; V195-V259 HydrophobicContact CB-CG1 4.07Å; V195-V259 HydrophobicContact CG2-CG1 3.81Å; V195-V260 HydrophobicContact CG2-CG2 4.29Å; V195-M263 HydrophobicContact CB-SD 3.85Å; V195-M263 HydrophobicContact CG1-CB 3.69Å; V195-M263 HydrophobicContact CG1-CG 4.14Å; V195-M263 HydrophobicContact CG1-SD 3.68Å; V195-F265 HydrophobicContact CG1-CB 3.76Å; V195-F265 HydrophobicContact CG1-CD2 4.44Å; V195-F265 HydrophobicContact CG1-CG 4.05Å
196	H	98	Very high	96.1	Very high	31 Å²	31	38.3 Å²	38.3	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-56	-46.7	174.3	-174.8	89.7	0	0	0	112.3	I192 H193 S200 M263 F312 Y316	I192-H196 WeakPolarHBondContact O-CB 3.46Å; I192-H196 PolarHBondContact O-N 2.85Å; H193-H196 WeakPolarHBondContact O-CB 3.38Å; H193-H196 PolarHBondContact O-N 3.31Å; H196-S200 PolarHBondContact O-N 3.22Å; H196-S200 VanDerWaalsContact O-N 3.14Å; H196-S200 PolarHBondContact O-OG 3.18Å; H196-M263 HydrophobicContact CB-CE 3.88Å; H196-F312 HydrophobicContact CB-CD1 4.4Å; H196-F312 HydrophobicContact CB-CE1 3.79Å; H196-F312 AromaticContact CG-CE1 3.89Å; H196-Y316 AromaticContact CD2-CD2 3.9Å; H196-Y316 AromaticContact CD2-CE2 3.52Å; H196-Y316 AromaticContact CD2-CZ 3.89Å; H196-Y316 AromaticContact CE1-CD2 4Å; H196-Y316 AromaticContact NE2-CD2 3.65Å; H196-Y316 AromaticContact NE2-CE2 3.65Å; H196-Y316 AromaticContact NE2-CG 3.88Å; H196-Y316 AromaticContact NE2-CZ 3.88Å
197	L	97.7	Very high	96.5	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.366	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-45.9	177.5	-67.7	177.7	0	0	0	111.7	I182 H193 K194 V195 K199 S200 S201	I182-L197 HydrophobicContact CD1-CD1 3.54Å; H193-L197 WeakPolarHBondContact O-CG 3.33Å; H193-L197 PolarHBondContact O-N 3.3Å; K194-L197 PolarHBondContact O-N 2.97Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.01Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.34Å; L197-S200 PolarHBondContact O-N 3.46Å; L197-S200 VanDerWaalsContact O-N 3.11Å; L197-S201 WeakPolarHBondContact O-CB 3.45Å; L197-S201 PolarHBondContact O-N 3.14Å; L197-S201 PolarHBondContact O-OG 3.41Å
198	A	97.6	Very high	96.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-40.1	179.2	0	0	0	0	0	112.2	K194 V195 S200 S201 G202 S203 F265	K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.49Å; K194-A198 PolarHBondContact O-N 3.12Å; V195-A198 PolarHBondContact O-N 2.74Å; A198-S200 VanDerWaalsContact C-N 3.34Å; A198-S201 PolarHBondContact O-OG 2.87Å; A198-G202 WeakPolarHBondContact O-CA 3.49Å; A198-G202 PolarHBondContact O-N 3.32Å; A198-S203 PolarHBondContact O-N 2.91Å; A198-F265 HydrophobicContact CB-CE2 3.67Å; A198-F265 HydrophobicContact CB-CZ 3.8Å
199	K	96.1	Very high	96.3	Very high	105 Å²	105	36 Å²	36	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-40.1	174.7	-168.7	170.6	-177.4	163.5	0	111.8	V195 L197 M263 D264 F265	V195-K199 WeakPolarHBondContact O-CB 3.32Å; V195-K199 PolarHBondContact O-N 2.83Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.34Å; K199-M263 PolarHBondContact NZ-O 3.45Å; K199-D264 PolarHBondContact NZ-O 3.43Å; K199-F265 HydrophobicContact CB-CD2 4.08Å
200	S	94.9	Very high	96.2	Very high	90 Å²	90	38.2 Å²	38.2	63%	0.629	24%	0.236	S	C	*	.	H	α-helix	trans	-75.1	-32.2	-178.4	-56.4	0	0	0	0	113.3	H196 L197 A198	H196-S200 PolarHBondContact O-N 3.22Å; H196-S200 VanDerWaalsContact O-N 3.14Å; H196-S200 PolarHBondContact O-OG 3.18Å; L197-S200 PolarHBondContact O-N 3.46Å; L197-S200 VanDerWaalsContact O-N 3.11Å; A198-S200 VanDerWaalsContact C-N 3.34Å
201	S	95.9	Very high	96.2	Very high	81 Å²	81	38 Å²	38	57%	0.566	23%	0.234	S	C	*	.	H	α-helix	trans	-94.5	-14.2	-178.4	65.6	0	0	0	0	114.1	L197 A198 S203	L197-S201 WeakPolarHBondContact O-CB 3.45Å; L197-S201 PolarHBondContact O-N 3.14Å; L197-S201 PolarHBondContact O-OG 3.41Å; A198-S201 PolarHBondContact O-OG 2.87Å; S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 2.99Å; S201-S203 WeakPolarHBondContact OG-CB 3.42Å; S201-S203 PolarHBondContact OG-N 2.99Å; S201-S203 PolarHBondContact OG-OG 2.68Å
202	G	95.4	Very high	96.1	Very high	72 Å²	72	44.4 Å²	44.4	74%	0.742	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	18.8	-170	0	0	0	0	0	113.8	A198	A198-G202 WeakPolarHBondContact O-CA 3.49Å; A198-G202 PolarHBondContact O-N 3.32Å
203	S	96.4	Very high	95.9	Very high	58 Å²	58	44.5 Å²	44.5	41%	0.406	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-86.7	167.8	178.7	73.2	0	0	0	0	112.7	A198 S201 F265	A198-S203 PolarHBondContact O-N 2.91Å; S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 2.99Å; S201-S203 WeakPolarHBondContact OG-CB 3.42Å; S201-S203 PolarHBondContact OG-N 2.99Å; S201-S203 PolarHBondContact OG-OG 2.68Å; S203-F265 WeakPolarHBondContact O-CZ 3.34Å
204	A	96.2	Very high	95.7	Very high	39 Å²	39	47.7 Å²	47.7	32%	0.322	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.6	155.4	167.5	0	0	0	0	0	111.6	E268	A204-E268 CarbonylContact C-O 3.54Å; A204-E268 WeakPolarHBondContact CA-O 3.37Å; A204-E268 HydrophobicContact CB-CB 4.02Å; A204-E268 WeakPolarHBondContact CB-O 3.38Å
205	L	97.2	Very high	95.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.3	166	174.6	64.8	0	0	0	109.3	K194 V195 V207 V260 F265 E268 V269 T270	K194-L205 HydrophobicContact CB-CD1 3.6Å; V195-L205 HydrophobicContact CG2-CD1 3.75Å; V195-L205 HydrophobicContact CG2-CD2 3.62Å; V195-L205 HydrophobicContact CG2-CG 4.23Å; L205-V207 HydrophobicContact CD2-CG2 4.12Å; L205-V207 HydrophobicContact CG-CG2 4.2Å; L205-V260 HydrophobicContact CD2-CG2 3.84Å; L205-F265 HydrophobicContact CB-CE1 3.92Å; L205-F265 HydrophobicContact CB-CZ 4.33Å; L205-E268 PolarHBondContact N-O 2.83Å; L205-V269 HydrophobicContact CB-CG2 4.34Å; L205-V269 HydrophobicContact CD2-CG1 4.06Å; L205-V269 HydrophobicContact CD2-CG2 4.14Å; L205-T270 PolarHBondContact O-N 2.88Å; L205-T270 PolarHBondContact O-OG1 3.47Å
206	T	96.1	Very high	95.7	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.362	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.3	171.7	-54.4	0	0	0	0	111.2	K194 T270 D272	K194-T206 PolarHBondContact NZ-O 2.83Å; T206-T270 PolarHBondContact OG1-OG1 3.11Å; T206-D272 HydrophobicContact CG2-CB 3.69Å
207	V	95.1	Very high	95.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.2	171.9	-176.1	0	0	0	0	108.7	L191 L205 I252 A256 V269 T270 F271 D272	L191-V207 HydrophobicContact CD2-CB 4.45Å; L191-V207 HydrophobicContact CD2-CG1 4.18Å; L191-V207 HydrophobicContact CD2-CG2 3.82Å; L205-V207 HydrophobicContact CD2-CG2 4.12Å; L205-V207 HydrophobicContact CG-CG2 4.2Å; V207-I252 HydrophobicContact CG1-CG2 3.95Å; V207-A256 HydrophobicContact CG2-CB 3.99Å; V207-V269 HydrophobicContact CG2-CG1 4.23Å; V207-T270 PolarHBondContact N-O 2.92Å; V207-F271 HydrophobicContact CB-CD1 3.79Å; V207-F271 HydrophobicContact CB-CE1 3.83Å; V207-F271 HydrophobicContact CG1-CD1 3.92Å; V207-F271 HydrophobicContact CG1-CE1 3.78Å; V207-F271 HydrophobicContact CG2-CE1 4.21Å; V207-F271 CarbonylContact O-C 3.58Å; V207-F271 WeakPolarHBondContact O-CA 3.28Å; V207-D272 PolarHBondContact O-N 3.34Å
208	W	93.2	Very high	95.8	Very high	85 Å²	85	43.2 Å²	43.2	32%	0.322	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.3	179	-68.3	-10.7	0	0	0	110.8	F77 K275	F77-W208 HydrophobicContact CD2-CZ3 4.13Å; F77-W208 AromaticContact CE2-CE3 3.7Å; F77-W208 HydrophobicContact CE2-CE3 3.7Å; F77-W208 AromaticContact CE2-CZ3 3.45Å; F77-W208 HydrophobicContact CE2-CZ3 3.45Å; F77-W208 VanDerWaalsContact CE2-CZ3 3.45Å; F77-W208 HydrophobicContact CZ-CE3 4.02Å; F77-W208 HydrophobicContact CZ-CZ3 4.04Å; W208-K275 HydrophobicContact CB-CB 3.82Å; W208-K275 HydrophobicContact CB-CG 4.01Å; W208-K275 HydrophobicContact CD2-CG 4.19Å; W208-K275 HydrophobicContact CG-CB 4.18Å; W208-K275 HydrophobicContact CG-CG 3.81Å
209	G	91.5	Very high	95.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	87.7	-173.7	-176.3	0	0	0	0	0	113.3	G211 F271 D272 D277	G209-G211 VanDerWaalsContact C-N 3.29Å; G209-G211 PolarHBondContact O-N 2.52Å; G209-F271 WeakPolarHBondContact O-CB 3.32Å; G209-D272 WeakPolarHBondContact CA-O 3.45Å; G209-D272 PolarHBondContact N-O 3.02Å; G209-D277 WeakPolarHBondContact CA-OD1 3.24Å
210	T	93.9	Very high	95.9	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.294	23%	0.23	S	C	.	.			trans	-77	-13.5	-176.9	68.7	0	0	0	0	113.8	K212 T273 D277	T210-K212 PolarHBondContact O-N 3.09Å; T210-K212 WeakPolarHBondContact OG1-CB 3.45Å; T210-K212 WeakPolarHBondContact OG1-CG 3.4Å; T210-K212 PolarHBondContact OG1-N 3.35Å; T210-T273 HydrophobicContact CG2-CG2 4.15Å; T210-D277 WeakPolarHBondContact CB-OD2 3.38Å; T210-D277 VanDerWaalsContact CG2-OD2 3.24Å; T210-D277 WeakPolarHBondContact CG2-OD2 3.19Å; T210-D277 PolarHBondContact N-OD1 3.47Å; T210-D277 PolarHBondContact OG1-OD1 3.46Å; T210-D277 PolarHBondContact OG1-OD2 3.2Å
211	G	94.3	Very high	96.1	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	77.2	-6.5	-173.8	0	0	0	0	0	114.8	G209 P213 I252 K253	G209-G211 VanDerWaalsContact C-N 3.29Å; G209-G211 PolarHBondContact O-N 2.52Å; G211-P213 VanDerWaalsContact C-CD 3.47Å; G211-I252 PolarHBondContact O-N 2.79Å; G211-K253 PolarHBondContact O-N 2.71Å
212	K	95.9	Very high	96.3	Very high	141 Å²	141	32.7 Å²	32.7	61%	0.613	18%	0.184	S	C	*	.			trans	-75.7	-27.7	-177.5	-60.3	177.5	179.7	176.8	0	116.4	T210 R214 F280	T210-K212 PolarHBondContact O-N 3.09Å; T210-K212 WeakPolarHBondContact OG1-CB 3.45Å; T210-K212 WeakPolarHBondContact OG1-CG 3.4Å; T210-K212 PolarHBondContact OG1-N 3.35Å; K212-R214 PolarHBondContact O-N 3.12Å; K212-F280 HydrophobicContact CB-CE2 3.88Å
213	P	93.9	Very high	96.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.019	15%	0.149	C	C	.	.			trans	-55.1	141.7	179.1	-27.7	35.8	0	0	0	111.7	G211 S251 I252 D277 F280	G211-P213 VanDerWaalsContact C-CD 3.47Å; P213-S251 CarbonylContact O-C 3.53Å; P213-S251 VanDerWaalsContact O-CA 3.28Å; P213-S251 WeakPolarHBondContact O-CA 3.4Å; P213-I252 HydrophobicContact CB-CG1 4.23Å; P213-I252 PolarHBondContact O-N 2.95Å; P213-D277 HydrophobicContact CG-CB 3.68Å; P213-D277 WeakPolarHBondContact CG-O 3.43Å; P213-F280 WeakPolarHBondContact CA-O 3.39Å
214	R	95.5	Very high	96.6	Very high	77 Å²	77	26.5 Å²	26.5	29%	0.291	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142	-177.5	-56.1	-165.7	75.4	90.2	0.9	111.7	K212 E249 V250 E254 F280 K281	K212-R214 PolarHBondContact O-N 3.12Å; R214-E249 HydrophobicContact CB-CG 3.69Å; R214-E249 WeakPolarHBondContact CB-OE2 3.28Å; R214-E249 WeakPolarHBondContact CD-OE2 3.25Å; R214-E249 IonicContact NE-OE2 3.82Å; R214-E249 PolarHBondContact NH2-O 3.44Å; R214-V250 CarbonylContact C-O 3.57Å; R214-V250 WeakPolarHBondContact CA-O 3.13Å; R214-E254 IonicContact NH1-OE2 2.83Å; R214-E254 IonicContact NH2-OE2 3.77Å; R214-F280 PolarHBondContact N-O 3.48Å; R214-K281 HydrophobicContact CB-CG 4.41Å
215	R	96.1	Very high	96.7	Very high	28 Å²	28	28.8 Å²	28.8	11%	0.106	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.4	-175.1	-58.9	-64.8	179	-96.5	-3.2	110.3	F217 E249 V250 I252 Q279 F280	R215-F217 HydrophobicContact CB-CD2 4.2Å; R215-F217 HydrophobicContact CB-CE2 3.66Å; R215-F217 HydrophobicContact CB-CZ 3.93Å; R215-F217 HydrophobicContact CG-CE2 4.46Å; R215-F217 HydrophobicContact CG-CZ 4.35Å; R215-E249 VanDerWaalsContact C-CG 3.46Å; R215-E249 WeakPolarHBondContact O-CG 3.45Å; R215-V250 PolarHBondContact N-O 3.28Å; R215-V250 PolarHBondContact O-N 2.94Å; R215-I252 HydrophobicContact CG-CD1 3.9Å; R215-Q279 PolarHBondContact NH1-O 2.83Å; R215-Q279 PolarHBondContact NH2-O 2.9Å; R215-F280 PolarHBondContact NH1-O 2.87Å; R215-F280 VanDerWaalsContact NH1-O 3.09Å
216	Q	98.3	Very high	96.8	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	13%	0.133	C	C	.	.			trans	-89.5	123.3	163.6	-72.4	162.5	-63.1	0	0	107.9	T171 N172 S243 V244 G245 E249 A284	T171-Q216 VanDerWaalsContact CB-O 3.29Å; T171-Q216 WeakPolarHBondContact CB-O 3.33Å; T171-Q216 HydrophobicContact CG2-CB 3.92Å; T171-Q216 PolarHBondContact OG1-O 3.34Å; N172-Q216 WeakPolarHBondContact CB-O 3.29Å; N172-Q216 PolarHBondContact N-O 3Å; Q216-S243 PolarHBondContact NE2-OG 2.77Å; Q216-V244 HydrophobicContact CB-CG2 3.83Å; Q216-V244 HydrophobicContact CG-CG2 4Å; Q216-V244 PolarHBondContact NE2-O 3.18Å; Q216-G245 PolarHBondContact NE2-O 3.32Å; Q216-E249 HydrophobicContact CG-CB 4.08Å; Q216-E249 HydrophobicContact CG-CG 4.08Å; Q216-A284 PolarHBondContact NE2-O 3.43Å; Q216-A284 PolarHBondContact OE1-O 3.29Å
217	F	98.4	Very high	96.9	Very high	12 Å²	12	26 Å²	26	5%	0.053	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.4	175.2	-69.2	-83.7	0	0	0	109.8	N172 F174 V187 L188 R215 V250 I252 A255 F301	N172-F217 HydrophobicContact CB-CD1 3.5Å; N172-F217 VanDerWaalsContact CB-CD1 3.5Å; N172-F217 HydrophobicContact CB-CE1 3.7Å; N172-F217 HydrophobicContact CB-CG 4.24Å; N172-F217 VanDerWaalsContact O-CA 3.28Å; N172-F217 WeakPolarHBondContact O-CA 3.35Å; F174-F217 HydrophobicContact CD1-CB 3.96Å; F174-F217 HydrophobicContact CD1-CD1 4.29Å; F174-F217 HydrophobicContact CE1-CB 3.81Å; V187-F217 HydrophobicContact CG1-CE1 4.04Å; V187-F217 HydrophobicContact CG1-CZ 3.93Å; L188-F217 HydrophobicContact CB-CD1 4.45Å; L188-F217 HydrophobicContact CB-CE1 3.88Å; L188-F217 HydrophobicContact CB-CZ 4.49Å; L188-F217 HydrophobicContact CD2-CD1 3.84Å; L188-F217 HydrophobicContact CD2-CE1 4.01Å; L188-F217 HydrophobicContact CD2-CG 4.35Å; R215-F217 HydrophobicContact CB-CD2 4.2Å; R215-F217 HydrophobicContact CB-CE2 3.66Å; R215-F217 HydrophobicContact CB-CZ 3.93Å; R215-F217 HydrophobicContact CG-CE2 4.46Å; R215-F217 HydrophobicContact CG-CZ 4.35Å; F217-V250 HydrophobicContact CD2-CG2 3.53Å; F217-V250 HydrophobicContact CE2-CG2 3.74Å; F217-I252 HydrophobicContact CZ-CD1 4.45Å; F217-A255 HydrophobicContact CE2-CB 4.11Å; F217-A255 HydrophobicContact CZ-CB 4.44Å; F217-F301 HydrophobicContact CB-CD2 4.09Å; F217-F301 HydrophobicContact CB-CE2 3.79Å; F217-F301 AromaticContact CD2-CE2 3.87Å; F217-F301 HydrophobicContact CD2-CE2 3.87Å; F217-F301 HydrophobicContact CD2-CZ 4.23Å; F217-F301 AromaticContact CG-CE2 3.92Å; F217-F301 HydrophobicContact CG-CE2 3.92Å
218	I	98.8	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.9	175	-174.7	169.7	0	0	0	109.2	N172 V173 F174 D222 L223 L226 L242 F298	N172-I218 PolarHBondContact O-N 2.88Å; V173-I218 WeakPolarHBondContact CA-O 3.36Å; V173-I218 HydrophobicContact CB-CG2 4.35Å; V173-I218 HydrophobicContact CG2-CG2 3.93Å; F174-I218 WeakPolarHBondContact CD1-O 3.38Å; F174-I218 PolarHBondContact N-O 3.21Å; I218-D222 HydrophobicContact CG1-CB 4.48Å; I218-L223 HydrophobicContact CD1-CB 3.9Å; I218-L223 HydrophobicContact CD1-CD1 4.15Å; I218-L223 HydrophobicContact CG1-CB 4.13Å; I218-L226 HydrophobicContact CD1-CD1 4.21Å; I218-L242 HydrophobicContact CD1-CB 4.45Å; I218-L242 WeakPolarHBondContact CD1-O 3.5Å; I218-F298 HydrophobicContact CD1-CE1 3.87Å; I218-F298 HydrophobicContact CG1-CD1 4.47Å; I218-F298 HydrophobicContact CG1-CE1 4.21Å
219	Y	98.9	Very high	97.3	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.7	178.1	-172.6	-142	0	0	0	110.1	F174 L221 D222 L223 T299 A304 E307 T308	F174-Y219 HydrophobicContact CD2-CD2 4.37Å; F174-Y219 HydrophobicContact CE2-CD2 4.04Å; F174-Y219 HydrophobicContact CZ-CD2 4.21Å; F174-Y219 WeakPolarHBondContact O-CD2 3.39Å; Y219-L221 HydrophobicContact CD1-CB 3.89Å; Y219-L221 HydrophobicContact CD1-CG 4.33Å; Y219-L221 HydrophobicContact CE1-CB 3.74Å; Y219-L221 HydrophobicContact CE1-CD1 3.64Å; Y219-L221 HydrophobicContact CE1-CG 3.72Å; Y219-L221 PolarHBondContact O-N 3.46Å; Y219-D222 WeakPolarHBondContact O-CB 3.31Å; Y219-D222 PolarHBondContact O-N 3.18Å; Y219-L223 PolarHBondContact O-N 2.8Å; Y219-T299 HydrophobicContact CD1-CG2 4.26Å; Y219-A304 HydrophobicContact CD1-CB 3.89Å; Y219-A304 HydrophobicContact CD2-CB 3.74Å; Y219-A304 HydrophobicContact CE1-CB 4.36Å; Y219-A304 HydrophobicContact CE2-CB 4.25Å; Y219-A304 HydrophobicContact CG-CB 3.56Å; Y219-E307 PolarHBondContact OH-OE2 2.73Å; Y219-T308 WeakPolarHBondContact CE2-OG1 3.38Å
220	S	98.8	Very high	97.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-58.3	-33.6	-175.5	62.9	0	0	0	0	113.3	A22 F174 L223 A224	A22-S220 WeakPolarHBondContact CB-O 3.19Å; F174-S220 WeakPolarHBondContact O-CB 3.48Å; F174-S220 PolarHBondContact O-N 3.01Å; F174-S220 PolarHBondContact O-OG 3.01Å; S220-L223 PolarHBondContact O-N 2.93Å; S220-A224 WeakPolarHBondContact O-CB 3.38Å; S220-A224 PolarHBondContact O-N 3.07Å
221	L	98.9	Very high	97.9	Very high	42 Å²	42	21.9 Å²	21.9	22%	0.22	10%	0.096	C	C	.	.	H	α-helix	trans	-71.6	-34.3	176.5	-61.7	-174.6	0	0	0	112.8	A22 K25 V26 Y219 A224 Q225	A22-L221 HydrophobicContact CB-CD2 3.94Å; K25-L221 HydrophobicContact CB-CD2 4.21Å; K25-L221 HydrophobicContact CG-CD2 4.1Å; V26-L221 HydrophobicContact CG2-CD2 4.26Å; Y219-L221 HydrophobicContact CD1-CB 3.89Å; Y219-L221 HydrophobicContact CD1-CG 4.33Å; Y219-L221 HydrophobicContact CE1-CB 3.74Å; Y219-L221 HydrophobicContact CE1-CD1 3.64Å; Y219-L221 HydrophobicContact CE1-CG 3.72Å; Y219-L221 PolarHBondContact O-N 3.46Å; L221-A224 PolarHBondContact O-N 2.91Å; L221-Q225 WeakPolarHBondContact O-CG 3.47Å; L221-Q225 PolarHBondContact O-N 2.7Å; L221-Q225 PolarHBondContact O-NE2 2.99Å
222	D	98.9	Very high	98.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-67.9	-45.8	172.6	-62.6	-18.7	0	0	0	110.1	I218 Y219 A224 Q225 L226 F296 F298 T299	I218-D222 HydrophobicContact CG1-CB 4.48Å; Y219-D222 WeakPolarHBondContact O-CB 3.31Å; Y219-D222 PolarHBondContact O-N 3.18Å; D222-A224 VanDerWaalsContact C-N 3.26Å; D222-A224 PolarHBondContact O-N 3.16Å; D222-Q225 PolarHBondContact O-N 3.01Å; D222-L226 WeakPolarHBondContact O-CG 3.17Å; D222-L226 PolarHBondContact O-N 2.98Å; D222-L226 VanDerWaalsContact O-N 3.08Å; D222-F296 HydrophobicContact CB-CE1 4.5Å; D222-F296 HydrophobicContact CB-CZ 4.29Å; D222-F298 HydrophobicContact CB-CD1 4Å; D222-T299 PolarHBondContact OD1-N 3.28Å; D222-T299 PolarHBondContact OD1-OG1 3.2Å; D222-T299 WeakPolarHBondContact OD2-CB 3.41Å; D222-T299 PolarHBondContact OD2-N 3.23Å; D222-T299 PolarHBondContact OD2-OG1 2.96Å
223	L	98.9	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-38.3	176.3	177.7	58.5	0	0	0	111.6	V19 P170 V173 I218 Y219 S220 L226 F227 L242	V19-L223 HydrophobicContact CG1-CD2 4.25Å; V19-L223 HydrophobicContact CG2-CD2 3.98Å; P170-L223 HydrophobicContact CB-CD1 4.01Å; P170-L223 HydrophobicContact CB-CD2 3.81Å; P170-L223 HydrophobicContact CG-CD2 4.37Å; V173-L223 HydrophobicContact CB-CD2 4.3Å; V173-L223 HydrophobicContact CG1-CD2 3.73Å; V173-L223 HydrophobicContact CG2-CD2 3.5Å; I218-L223 HydrophobicContact CD1-CB 3.9Å; I218-L223 HydrophobicContact CD1-CD1 4.15Å; I218-L223 HydrophobicContact CG1-CB 4.13Å; Y219-L223 PolarHBondContact O-N 2.8Å; S220-L223 PolarHBondContact O-N 2.93Å; L223-L226 PolarHBondContact O-N 3.09Å; L223-F227 HydrophobicContact CD1-CD2 3.73Å; L223-F227 HydrophobicContact CD1-CE2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 4.27Å; L223-F227 HydrophobicContact CG-CD2 3.8Å; L223-F227 HydrophobicContact CG-CE2 3.99Å; L223-F227 WeakPolarHBondContact O-CB 3.12Å; L223-F227 PolarHBondContact O-N 3.48Å; L223-L242 HydrophobicContact CD1-CB 3.89Å; L223-L242 HydrophobicContact CD1-CD1 3.61Å; L223-L242 HydrophobicContact CD1-CG 4.42Å
224	A	98.9	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-44.2	176.6	0	0	0	0	0	112.5	A22 I23 V26 S220 L221 D222 L226 F227 I228	A22-A224 VanDerWaalsContact C-CB 3.49Å; A22-A224 HydrophobicContact CB-CB 3.82Å; I23-A224 HydrophobicContact CB-CB 4.38Å; I23-A224 HydrophobicContact CG1-CB 3.71Å; V26-A224 HydrophobicContact CB-CB 4.3Å; V26-A224 HydrophobicContact CG2-CB 3.78Å; S220-A224 WeakPolarHBondContact O-CB 3.38Å; S220-A224 PolarHBondContact O-N 3.07Å; L221-A224 PolarHBondContact O-N 2.91Å; D222-A224 VanDerWaalsContact C-N 3.26Å; D222-A224 PolarHBondContact O-N 3.16Å; A224-L226 VanDerWaalsContact C-N 3.32Å; A224-L226 PolarHBondContact O-N 2.89Å; A224-F227 PolarHBondContact O-N 2.81Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.4Å; A224-I228 PolarHBondContact O-N 3.02Å; A224-I228 VanDerWaalsContact O-N 3.08Å
225	Q	98.9	Very high	98.6	Very high	87 Å²	87	24.7 Å²	24.7	41%	0.407	11%	0.114	S	C	.	.	H	α-helix	trans	-59.2	-45.2	174.3	-69.6	170.5	67.9	0	0	111.2	V26 L221 D222 I228 W229 F296	V26-Q225 HydrophobicContact CG1-CG 3.9Å; V26-Q225 HydrophobicContact CG2-CG 4.29Å; L221-Q225 WeakPolarHBondContact O-CG 3.47Å; L221-Q225 PolarHBondContact O-N 2.7Å; L221-Q225 PolarHBondContact O-NE2 2.99Å; D222-Q225 PolarHBondContact O-N 3.01Å; Q225-I228 PolarHBondContact O-N 3.34Å; Q225-W229 PolarHBondContact O-N 3.13Å; Q225-F296 HydrophobicContact CB-CE2 4.25Å
226	L	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-38.7	177.6	-65.8	174.8	0	0	0	112.4	I218 D222 L223 A224 I228 W229 V230 L242 L289 L293 F296 F298	I218-L226 HydrophobicContact CD1-CD1 4.21Å; D222-L226 WeakPolarHBondContact O-CG 3.17Å; D222-L226 PolarHBondContact O-N 2.98Å; D222-L226 VanDerWaalsContact O-N 3.08Å; L223-L226 PolarHBondContact O-N 3.09Å; A224-L226 VanDerWaalsContact C-N 3.32Å; A224-L226 PolarHBondContact O-N 2.89Å; L226-I228 PolarHBondContact O-N 3.27Å; L226-W229 PolarHBondContact O-N 2.97Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 2.82Å; L226-L242 HydrophobicContact CB-CD1 3.84Å; L226-L242 HydrophobicContact CB-CD2 4.17Å; L226-L242 HydrophobicContact CB-CG 4.49Å; L226-L242 HydrophobicContact CD1-CB 4.24Å; L226-L242 HydrophobicContact CD1-CD2 4.28Å; L226-L289 HydrophobicContact CD1-CD2 4.18Å; L226-L289 HydrophobicContact CD2-CD1 4.03Å; L226-L293 HydrophobicContact CD2-CD1 3.66Å; L226-F296 HydrophobicContact CD1-CE1 4.07Å; L226-F296 HydrophobicContact CD1-CZ 4.3Å; L226-F296 HydrophobicContact CD2-CD1 4.11Å; L226-F296 HydrophobicContact CD2-CD2 3.97Å; L226-F296 HydrophobicContact CD2-CE1 4.02Å; L226-F296 HydrophobicContact CD2-CE2 3.88Å; L226-F296 HydrophobicContact CD2-CG 4.09Å; L226-F296 HydrophobicContact CD2-CZ 3.91Å; L226-F296 HydrophobicContact CG-CE1 4.08Å; L226-F296 HydrophobicContact CG-CE2 4.23Å; L226-F296 HydrophobicContact CG-CZ 3.86Å; L226-F298 HydrophobicContact CD1-CE1 3.85Å; L226-F298 HydrophobicContact CD1-CZ 4.06Å
227	F	98.8	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.4	-107.8	-75.4	0	0	0	112.5	V19 I23 I67 L69 V110 C112 V168 L223 A224 W229 V230 L231	V19-F227 HydrophobicContact CG1-CD2 4.01Å; V19-F227 HydrophobicContact CG1-CE2 3.8Å; I23-F227 HydrophobicContact CD1-CB 3.97Å; I23-F227 HydrophobicContact CD1-CD2 4.46Å; I23-F227 HydrophobicContact CD1-CG 4.13Å; I23-F227 HydrophobicContact CG1-CB 4.45Å; I67-F227 HydrophobicContact CG2-CD1 3.78Å; I67-F227 HydrophobicContact CG2-CE1 3.77Å; L69-F227 HydrophobicContact CD2-CE1 3.77Å; L69-F227 HydrophobicContact CD2-CE2 4.07Å; L69-F227 HydrophobicContact CD2-CZ 3.47Å; L69-F227 VanDerWaalsContact CD2-CZ 3.47Å; V110-F227 HydrophobicContact CG1-CD1 4.15Å; V110-F227 HydrophobicContact CG1-CE1 3.96Å; C112-F227 HydrophobicContact CB-CZ 3.9Å; V168-F227 HydrophobicContact CB-CZ 4.49Å; V168-F227 HydrophobicContact CG2-CD1 4.2Å; V168-F227 HydrophobicContact CG2-CD2 4.31Å; V168-F227 HydrophobicContact CG2-CE1 3.42Å; V168-F227 VanDerWaalsContact CG2-CE1 3.42Å; V168-F227 HydrophobicContact CG2-CE2 3.56Å; V168-F227 HydrophobicContact CG2-CZ 3.05Å; L223-F227 HydrophobicContact CD1-CD2 3.73Å; L223-F227 HydrophobicContact CD1-CE2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 4.27Å; L223-F227 HydrophobicContact CG-CD2 3.8Å; L223-F227 HydrophobicContact CG-CE2 3.99Å; L223-F227 WeakPolarHBondContact O-CB 3.12Å; L223-F227 PolarHBondContact O-N 3.48Å; A224-F227 PolarHBondContact O-N 2.81Å; F227-W229 VanDerWaalsContact C-N 3.32Å; F227-V230 PolarHBondContact O-N 3.46Å; F227-L231 PolarHBondContact O-N 3.34Å
228	I	98.9	Very high	98.8	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-42.6	177.6	-65.6	164.6	0	0	0	109.7	I23 V26 V27 A31 W38 A224 Q225 L226 L231 R232	I23-I228 HydrophobicContact CG2-CD1 4.46Å; I23-I228 HydrophobicContact CG2-CG1 4.35Å; V26-I228 HydrophobicContact CB-CD1 4.13Å; V26-I228 HydrophobicContact CG1-CD1 3.55Å; V27-I228 HydrophobicContact CG2-CD1 3.9Å; A31-I228 HydrophobicContact CB-CD1 4.1Å; W38-I228 HydrophobicContact CH2-CG1 3.84Å; W38-I228 HydrophobicContact CZ2-CG1 4.4Å; W38-I228 HydrophobicContact CZ2-CG2 4.47Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.4Å; A224-I228 PolarHBondContact O-N 3.02Å; A224-I228 VanDerWaalsContact O-N 3.08Å; Q225-I228 PolarHBondContact O-N 3.34Å; L226-I228 PolarHBondContact O-N 3.27Å; I228-L231 PolarHBondContact O-N 2.74Å; I228-R232 VanDerWaalsContact CG2-NH1 3.31Å; I228-R232 WeakPolarHBondContact O-CG 3.12Å; I228-R232 PolarHBondContact O-N 3.41Å
229	W	98.8	Very high	98.8	Very high	43 Å²	43	29.7 Å²	29.7	16%	0.163	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-47	173.8	171.7	83.2	0	0	0	112.4	Q225 L226 F227 L231 R232 E233 Y234 I240 Y292 L293	Q225-W229 PolarHBondContact O-N 3.13Å; L226-W229 PolarHBondContact O-N 2.97Å; F227-W229 VanDerWaalsContact C-N 3.32Å; W229-L231 VanDerWaalsContact C-N 3.27Å; W229-L231 PolarHBondContact O-N 3.24Å; W229-R232 PolarHBondContact O-N 3.46Å; W229-R232 VanDerWaalsContact O-N 3.12Å; W229-E233 HydrophobicContact CG-CG 4.47Å; W229-E233 HydrophobicContact CZ2-CB 4.27Å; W229-E233 PolarHBondContact O-N 2.85Å; W229-Y234 HydrophobicContact CH2-CD2 4.07Å; W229-Y234 HydrophobicContact CH2-CG 4.42Å; W229-I240 HydrophobicContact CH2-CD1 4.35Å; W229-I240 HydrophobicContact CZ3-CD1 4.13Å; W229-Y292 AromaticContact CH2-CD1 3.79Å; W229-Y292 HydrophobicContact CH2-CD1 3.79Å; W229-Y292 HydrophobicContact CH2-CD2 4.29Å; W229-Y292 AromaticContact CH2-CG 3.62Å; W229-Y292 HydrophobicContact CH2-CG 3.62Å; W229-Y292 AromaticContact CZ2-CD1 3.69Å; W229-Y292 HydrophobicContact CZ2-CD1 3.69Å; W229-Y292 AromaticContact CZ2-CG 3.86Å; W229-Y292 HydrophobicContact CZ2-CG 3.86Å; W229-L293 HydrophobicContact CD2-CD1 3.65Å; W229-L293 HydrophobicContact CD2-CG 4.24Å; W229-L293 HydrophobicContact CE3-CD1 3.92Å; W229-L293 HydrophobicContact CG-CD1 3.94Å; W229-L293 HydrophobicContact CZ2-CD1 4.47Å; W229-L293 HydrophobicContact CZ2-CG 4.25Å; W229-L293 HydrophobicContact CZ3-CD1 4.45Å
230	V	98.9	Very high	98.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-43.6	178.1	168.1	0	0	0	0	110.8	K108 V110 V168 L226 F227 R232 Y234 I240 L242	K108-V230 PolarHBondContact NZ-O 3.29Å; V110-V230 HydrophobicContact CB-CG1 4.49Å; V110-V230 HydrophobicContact CG1-CG1 3.62Å; V110-V230 HydrophobicContact CG2-CG1 3.99Å; V168-V230 HydrophobicContact CG1-CB 4.14Å; V168-V230 HydrophobicContact CG1-CG1 3.73Å; V168-V230 HydrophobicContact CG1-CG2 3.78Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 2.82Å; F227-V230 PolarHBondContact O-N 3.46Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 3.01Å; V230-Y234 HydrophobicContact CG1-CD1 4.11Å; V230-Y234 HydrophobicContact CG1-CG 4.47Å; V230-Y234 PolarHBondContact O-N 2.84Å; V230-Y234 VanDerWaalsContact O-N 3.14Å; V230-I240 HydrophobicContact CG2-CG2 4.05Å; V230-L242 HydrophobicContact CG2-CD1 4.38Å; V230-L242 HydrophobicContact CG2-CD2 4.34Å
231	L	98.8	Very high	98.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-45	178.3	-172.8	68.2	0	0	0	111.4	I10 W38 H65 I67 K108 V110 F227 I228 W229	I10-L231 HydrophobicContact CD1-CD2 4.06Å; I10-L231 HydrophobicContact CG1-CD2 4.15Å; I10-L231 HydrophobicContact CG2-CD2 3.68Å; W38-L231 HydrophobicContact CH2-CD2 4.19Å; H65-L231 HydrophobicContact CB-CD1 4.15Å; H65-L231 HydrophobicContact CB-CD2 4.43Å; I67-L231 HydrophobicContact CD1-CD2 3.89Å; I67-L231 HydrophobicContact CG1-CD1 4.1Å; I67-L231 HydrophobicContact CG1-CD2 4.09Å; K108-L231 VanDerWaalsContact CD-O 3.29Å; K108-L231 WeakPolarHBondContact CD-O 3.37Å; K108-L231 WeakPolarHBondContact CE-O 3.49Å; K108-L231 PolarHBondContact NZ-O 3.21Å; V110-L231 HydrophobicContact CG2-CD1 3.79Å; F227-L231 PolarHBondContact O-N 3.34Å; I228-L231 PolarHBondContact O-N 2.74Å; W229-L231 VanDerWaalsContact C-N 3.27Å; W229-L231 PolarHBondContact O-N 3.24Å
232	R	98.4	Very high	98.8	Very high	61 Å²	61	27.2 Å²	27.2	23%	0.23	13%	0.127	C	C	.	.	H	α-helix	trans	-78	-42.5	-175.6	-68.2	174	178.1	156.8	4.1	113.3	A31 E36 I228 W229 V230	A31-R232 PolarHBondContact O-NH1 3.37Å; A31-R232 VanDerWaalsContact O-NH1 3.09Å; A31-R232 PolarHBondContact O-NH2 3.26Å; E36-R232 IonicContact OE1-CZ 2.69Å; E36-R232 VanDerWaalsContact OE1-CZ 3.23Å; E36-R232 IonicContact OE1-NE 2.94Å; E36-R232 PolarHBondContact OE1-NE 2.91Å; E36-R232 IonicContact OE1-NH2 3.82Å; E36-R232 PolarHBondContact OE1-NH2 3.21Å; E36-R232 IonicContact OE2-CZ 3.89Å; E36-R232 IonicContact OE2-NH2 3.32Å; E36-R232 PolarHBondContact OE2-NH2 3.45Å; I228-R232 VanDerWaalsContact CG2-NH1 3.31Å; I228-R232 WeakPolarHBondContact O-CG 3.12Å; I228-R232 PolarHBondContact O-N 3.41Å; W229-R232 PolarHBondContact O-N 3.46Å; W229-R232 VanDerWaalsContact O-N 3.12Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 3.01Å
233	E	98.6	Very high	98.8	Very high	117 Å²	117	27 Å²	27	55%	0.547	13%	0.126	S	C	.	.	H	α-helix	trans	-114.9	-32	-162.5	-55.3	-56.3	147	0	0	114.4	W229 N235	W229-E233 HydrophobicContact CG-CG 4.47Å; W229-E233 HydrophobicContact CZ2-CB 4.27Å; W229-E233 PolarHBondContact O-N 2.85Å; E233-N235 PolarHBondContact O-N 3.25Å; E233-N235 PolarHBondContact O-ND2 2.95Å
234	Y	98.7	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.			trans	-88.2	109.8	-168.9	-175.7	-106.9	0	0	0	112.8	K108 T166 W229 V230 E236 E238 P239 I240 K288 Y292	K108-Y234 WeakPolarHBondContact CE-O 3.34Å; K108-Y234 PolarHBondContact NZ-O 3.07Å; T166-Y234 HydrophobicContact CG2-CD1 4.41Å; W229-Y234 HydrophobicContact CH2-CD2 4.07Å; W229-Y234 HydrophobicContact CH2-CG 4.42Å; V230-Y234 HydrophobicContact CG1-CD1 4.11Å; V230-Y234 HydrophobicContact CG1-CG 4.47Å; V230-Y234 PolarHBondContact O-N 2.84Å; V230-Y234 VanDerWaalsContact O-N 3.14Å; Y234-E236 HydrophobicContact CE1-CB 3.95Å; Y234-E236 HydrophobicContact CE2-CB 3.98Å; Y234-E236 HydrophobicContact CE2-CG 3.9Å; Y234-E236 WeakPolarHBondContact OH-CB 3.25Å; Y234-E236 VanDerWaalsContact OH-CD 3.28Å; Y234-E236 PolarHBondContact OH-OE2 2.76Å; Y234-E238 WeakPolarHBondContact CE1-O 3.34Å; Y234-E238 PolarHBondContact OH-O 3.26Å; Y234-P239 PolarHBondContact OH-O 3.34Å; Y234-I240 HydrophobicContact CD1-CG2 4.06Å; Y234-I240 HydrophobicContact CD2-CD1 4.27Å; Y234-I240 HydrophobicContact CE1-CB 3.95Å; Y234-I240 HydrophobicContact CE1-CG2 3.8Å; Y234-I240 HydrophobicContact CE2-CB 4.33Å; Y234-I240 HydrophobicContact CE2-CD1 4.02Å; Y234-K288 HydrophobicContact CE2-CD 4.46Å; Y234-K288 WeakPolarHBondContact OH-CD 3.34Å; Y234-K288 PolarHBondContact OH-NZ 2.96Å; Y234-Y292 HydrophobicContact CD2-CD2 4.48Å; Y234-Y292 HydrophobicContact CD2-CE1 4.26Å; Y234-Y292 AromaticContact CD2-CE2 4Å; Y234-Y292 HydrophobicContact CD2-CE2 4Å; Y234-Y292 AromaticContact CD2-CZ 3.87Å; Y234-Y292 HydrophobicContact CE2-CD2 4.36Å; Y234-Y292 AromaticContact CE2-CE2 3.65Å; Y234-Y292 HydrophobicContact CE2-CE2 3.65Å; Y234-Y292 AromaticContact CE2-CZ 3.8Å
235	N	98.4	Very high	98.7	Very high	104 Å²	104	27.8 Å²	27.8	56%	0.556	13%	0.131	S	C	*	.			trans	-110.8	8.4	-171	-61.7	-48.3	0	0	0	114.8	K108 E233	K108-N235 PolarHBondContact NZ-OD1 3.49Å; E233-N235 PolarHBondContact O-N 3.25Å; E233-N235 PolarHBondContact O-ND2 2.95Å
236	E	98.8	Very high	98.7	Very high	62 Å²	62	27 Å²	27	29%	0.29	13%	0.127	S	C	.	.			trans	-75.1	145.1	171.4	-59.2	172	-152.1	0	0	110.7	T166 Y234 K288 Y292	T166-E236 WeakPolarHBondContact CB-O 2.99Å; T166-E236 PolarHBondContact OG1-O 3.11Å; Y234-E236 HydrophobicContact CE1-CB 3.95Å; Y234-E236 HydrophobicContact CE2-CB 3.98Å; Y234-E236 HydrophobicContact CE2-CG 3.9Å; Y234-E236 WeakPolarHBondContact OH-CB 3.25Å; Y234-E236 VanDerWaalsContact OH-CD 3.28Å; Y234-E236 PolarHBondContact OH-OE2 2.76Å; E236-K288 IonicContact OE2-NZ 2.68Å; E236-K288 PolarHBondContact OE2-NZ 2.89Å; E236-Y292 PolarHBondContact OE1-OH 2.82Å
237	V	98.8	Very high	98.6	Very high	17 Å²	17	34 Å²	34	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	-77.7	-33	172.3	177	0	0	0	0	111.3	N154 R155 F158	N154-V237 HydrophobicContact CB-CG1 4.27Å; R155-V237 HydrophobicContact CG-CG1 4.07Å; F158-V237 HydrophobicContact CB-CG1 4.17Å; F158-V237 HydrophobicContact CB-CG2 3.69Å; F158-V237 HydrophobicContact CD1-CG2 3.89Å; F158-V237 HydrophobicContact CD2-CG2 3.45Å; F158-V237 VanDerWaalsContact CD2-CG2 3.45Å; F158-V237 HydrophobicContact CE1-CG2 4.36Å; F158-V237 HydrophobicContact CE2-CG2 3.97Å; F158-V237 HydrophobicContact CG-CG2 3.4Å; F158-V237 VanDerWaalsContact CG-CG2 3.4Å; F158-V237 HydrophobicContact CZ-CG2 4.39Å
238	E	98.7	Very high	98.5	Very high	69 Å²	69	37.8 Å²	37.8	32%	0.322	18%	0.18	S	C	.	.	S	Bend	trans	-58.9	138.3	172.5	-172.3	173.7	-126.5	0	0	109	E128 Y234 K288	E128-E238 HydrophobicContact CB-CG 4.32Å; Y234-E238 WeakPolarHBondContact CE1-O 3.34Å; Y234-E238 PolarHBondContact OH-O 3.26Å; E238-K288 IonicContact OE2-NZ 2.75Å; E238-K288 PolarHBondContact OE2-NZ 3.17Å
239	P	98.8	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.			trans	-62.4	167.3	178.1	-25.1	36.2	0	0	0	113.3	L113 E128 I131 D151 A167 I169 Y234 K288	L113-P239 HydrophobicContact CD1-CB 4.19Å; L113-P239 HydrophobicContact CD1-CG 3.92Å; E128-P239 VanDerWaalsContact CG-O 3.3Å; E128-P239 WeakPolarHBondContact CG-O 3.16Å; I131-P239 HydrophobicContact CD1-CB 4.32Å; I131-P239 HydrophobicContact CD1-CG 3.81Å; D151-P239 HydrophobicContact CB-CG 4.37Å; A167-P239 HydrophobicContact CB-CB 4.48Å; A167-P239 HydrophobicContact CB-CG 4.45Å; A167-P239 WeakPolarHBondContact O-CA 3.13Å; A167-P239 WeakPolarHBondContact O-CB 3.4Å; I169-P239 HydrophobicContact CD1-CB 3.65Å; I169-P239 HydrophobicContact CD1-CG 4.42Å; I169-P239 HydrophobicContact CG1-CB 3.98Å; Y234-P239 PolarHBondContact OH-O 3.34Å; P239-K288 PolarHBondContact O-NZ 3.28Å; P239-K288 VanDerWaalsContact O-NZ 3.14Å
240	I	98.9	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.4	170.7	-173.7	166.7	0	0	0	111.3	A167 V168 I169 W229 V230 Y234 L242 K288 L289 Y292	A167-I240 PolarHBondContact O-N 3.34Å; A167-I240 VanDerWaalsContact O-N 3.14Å; V168-I240 CarbonylContact C-O 3.2Å; V168-I240 VanDerWaalsContact CA-O 3.32Å; V168-I240 WeakPolarHBondContact CA-O 3.48Å; V168-I240 HydrophobicContact CG1-CG2 3.93Å; I169-I240 PolarHBondContact N-O 2.94Å; W229-I240 HydrophobicContact CH2-CD1 4.35Å; W229-I240 HydrophobicContact CZ3-CD1 4.13Å; V230-I240 HydrophobicContact CG2-CG2 4.05Å; Y234-I240 HydrophobicContact CD1-CG2 4.06Å; Y234-I240 HydrophobicContact CD2-CD1 4.27Å; Y234-I240 HydrophobicContact CE1-CB 3.95Å; Y234-I240 HydrophobicContact CE1-CG2 3.8Å; Y234-I240 HydrophobicContact CE2-CB 4.33Å; Y234-I240 HydrophobicContact CE2-CD1 4.02Å; I240-L242 HydrophobicContact CG1-CD2 4.39Å; I240-L242 HydrophobicContact CG2-CD2 4.23Å; I240-K288 HydrophobicContact CB-CD 4.11Å; I240-K288 HydrophobicContact CD1-CD 4.18Å; I240-K288 HydrophobicContact CD1-CG 4.1Å; I240-K288 HydrophobicContact CG1-CB 4.49Å; I240-K288 HydrophobicContact CG1-CD 3.9Å; I240-K288 HydrophobicContact CG1-CG 4.13Å; I240-L289 HydrophobicContact CD1-CB 4.41Å; I240-Y292 HydrophobicContact CD1-CD2 4.23Å
241	I	98.9	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.7	173.4	-73.2	156.2	0	0	0	109.6	F118 E128 I169 A284 S285	F118-I241 HydrophobicContact CZ-CD1 4.2Å; E128-I241 HydrophobicContact CG-CB 4.45Å; E128-I241 HydrophobicContact CG-CD1 3.82Å; E128-I241 HydrophobicContact CG-CG1 3.8Å; E128-I241 PolarHBondContact OE1-N 3.29Å; I169-I241 HydrophobicContact CB-CG1 3.96Å; I169-I241 HydrophobicContact CD1-CG1 4.15Å; I169-I241 HydrophobicContact CG2-CG1 4.3Å; I169-I241 WeakPolarHBondContact O-CA 3.48Å; I241-A284 HydrophobicContact CD1-CB 4.27Å; I241-A284 HydrophobicContact CG2-CB 4.05Å; I241-S285 WeakPolarHBondContact CD1-O 3.28Å; I241-S285 WeakPolarHBondContact CG2-O 3.44Å
242	L	98.9	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	92.8	174.1	-59.1	-174	0	0	0	108.9	V168 I169 P170 I218 L223 L226 V230 I240 L289	V168-L242 HydrophobicContact CB-CD1 3.64Å; V168-L242 HydrophobicContact CB-CG 3.94Å; V168-L242 HydrophobicContact CG1-CD1 3.66Å; V168-L242 HydrophobicContact CG1-CG 4.16Å; V168-L242 HydrophobicContact CG2-CD1 4.04Å; I169-L242 PolarHBondContact O-N 3.22Å; P170-L242 WeakPolarHBondContact CA-O 3.4Å; I218-L242 HydrophobicContact CD1-CB 4.45Å; I218-L242 WeakPolarHBondContact CD1-O 3.5Å; L223-L242 HydrophobicContact CD1-CB 3.89Å; L223-L242 HydrophobicContact CD1-CD1 3.61Å; L223-L242 HydrophobicContact CD1-CG 4.42Å; L226-L242 HydrophobicContact CB-CD1 3.84Å; L226-L242 HydrophobicContact CB-CD2 4.17Å; L226-L242 HydrophobicContact CB-CG 4.49Å; L226-L242 HydrophobicContact CD1-CB 4.24Å; L226-L242 HydrophobicContact CD1-CD2 4.28Å; V230-L242 HydrophobicContact CG2-CD1 4.38Å; V230-L242 HydrophobicContact CG2-CD2 4.34Å; I240-L242 HydrophobicContact CG1-CD2 4.39Å; I240-L242 HydrophobicContact CG2-CD2 4.23Å; L242-L289 HydrophobicContact CD2-CD1 4.1Å; L242-L289 HydrophobicContact CD2-CD2 4.41Å
243	S	98.7	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.			trans	-148.4	156.2	-175	-174.4	0	0	0	0	112.2	T171 Q216 N286 F298	T171-S243 VanDerWaalsContact CG2-OG 3.25Å; T171-S243 WeakPolarHBondContact CG2-OG 3.36Å; T171-S243 PolarHBondContact OG1-OG 3.3Å; Q216-S243 PolarHBondContact NE2-OG 2.77Å; S243-N286 WeakPolarHBondContact O-CB 3.3Å; S243-N286 PolarHBondContact O-ND2 3.41Å; S243-F298 VanDerWaalsContact O-CZ 3.25Å; S243-F298 WeakPolarHBondContact O-CZ 3.22Å
244	V	98.5	Very high	98.2	Very high	17 Å²	17	38.3 Å²	38.3	10%	0.103	19%	0.189	C	C	.	.			trans	-58.7	168.9	158.2	-61	0	0	0	0	111.2	Q216 D248 N286 F298	Q216-V244 HydrophobicContact CB-CG2 3.83Å; Q216-V244 HydrophobicContact CG-CG2 4Å; Q216-V244 PolarHBondContact NE2-O 3.18Å; V244-D248 HydrophobicContact CB-CB 3.87Å; V244-D248 HydrophobicContact CG2-CB 3.85Å; V244-N286 VanDerWaalsContact C-ND2 3.27Å; V244-N286 PolarHBondContact O-ND2 3.22Å; V244-F298 HydrophobicContact CG1-CB 4.2Å; V244-F298 HydrophobicContact CG1-CD1 3.93Å; V244-F298 HydrophobicContact CG1-CD2 4.17Å; V244-F298 HydrophobicContact CG1-CE1 4.36Å; V244-F298 HydrophobicContact CG1-CG 3.83Å
245	G	97.8	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.			trans	-64.4	169.9	-179.9	0	0	0	0	0	113.3	Q216 E247 D248 N286	Q216-G245 PolarHBondContact NE2-O 3.32Å; G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 WeakPolarHBondContact CA-OE2 3.44Å; G245-D248 PolarHBondContact N-OD2 2.72Å; G245-D248 PolarHBondContact O-N 3.41Å; G245-N286 WeakPolarHBondContact CA-ND2 3.35Å; G245-N286 PolarHBondContact N-ND2 2.94Å
246	E	98.1	Very high	98.2	Very high	69 Å²	69	33.4 Å²	33.4	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-70.3	-31.9	176.3	-62.5	163	-150.5	0	0	110.5	P125 D248 E249 T283 S285	P125-E246 VanDerWaalsContact CB-CD 3.47Å; P125-E246 HydrophobicContact CB-CG 4.08Å; P125-E246 WeakPolarHBondContact CB-OE1 3.33Å; P125-E246 WeakPolarHBondContact CG-OE1 3.16Å; P125-E246 WeakPolarHBondContact CG-OE2 3.43Å; E246-D248 VanDerWaalsContact C-N 3.29Å; E246-D248 PolarHBondContact O-N 3.14Å; E246-E249 WeakPolarHBondContact O-CB 3.29Å; E246-E249 PolarHBondContact O-N 3.32Å; E246-T283 HydrophobicContact CB-CG2 4Å; E246-T283 HydrophobicContact CG-CG2 4Å; E246-S285 WeakPolarHBondContact OE1-CA 3.44Å; E246-S285 WeakPolarHBondContact OE1-CB 3.28Å; E246-S285 PolarHBondContact OE1-OG 2.74Å
247	E	97.3	Very high	98.2	Very high	147 Å²	147	35.2 Å²	35.2	69%	0.687	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24	174.5	69.6	-80.1	-167.1	0	0	113.8	G245 E249	G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 WeakPolarHBondContact CA-OE2 3.44Å; E247-E249 VanDerWaalsContact C-N 3.32Å
248	D	97.5	Very high	98.2	Very high	80 Å²	80	34.7 Å²	34.7	43%	0.428	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.5	-178.7	-64.6	-46.4	0	0	0	112.7	V244 G245 E246 V250	V244-D248 HydrophobicContact CB-CB 3.87Å; V244-D248 HydrophobicContact CG2-CB 3.85Å; G245-D248 PolarHBondContact N-OD2 2.72Å; G245-D248 PolarHBondContact O-N 3.41Å; E246-D248 VanDerWaalsContact C-N 3.29Å; E246-D248 PolarHBondContact O-N 3.14Å; D248-V250 PolarHBondContact O-N 2.73Å
249	E	96.6	Very high	98.2	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.047	15%	0.153	C	C	.	.			trans	-63.8	131.5	176.9	-163	-174	-135.8	0	0	110.2	R214 R215 Q216 E246 E247 T283	R214-E249 HydrophobicContact CB-CG 3.69Å; R214-E249 WeakPolarHBondContact CB-OE2 3.28Å; R214-E249 WeakPolarHBondContact CD-OE2 3.25Å; R214-E249 IonicContact NE-OE2 3.82Å; R214-E249 PolarHBondContact NH2-O 3.44Å; R215-E249 VanDerWaalsContact C-CG 3.46Å; R215-E249 WeakPolarHBondContact O-CG 3.45Å; Q216-E249 HydrophobicContact CG-CB 4.08Å; Q216-E249 HydrophobicContact CG-CG 4.08Å; E246-E249 WeakPolarHBondContact O-CB 3.29Å; E246-E249 PolarHBondContact O-N 3.32Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E249-T283 PolarHBondContact OE1-OG1 3.14Å; E249-T283 PolarHBondContact OE2-OG1 2.69Å
250	V	97.8	Very high	98.2	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.158	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.1	178.2	-61.2	0	0	0	0	111.3	R214 R215 F217 D248 E254 F301	R214-V250 CarbonylContact C-O 3.57Å; R214-V250 WeakPolarHBondContact CA-O 3.13Å; R215-V250 PolarHBondContact N-O 3.28Å; R215-V250 PolarHBondContact O-N 2.94Å; F217-V250 HydrophobicContact CD2-CG2 3.53Å; F217-V250 HydrophobicContact CE2-CG2 3.74Å; D248-V250 PolarHBondContact O-N 2.73Å; V250-E254 HydrophobicContact CB-CB 4.25Å; V250-F301 HydrophobicContact CG2-CE1 4.2Å; V250-F301 HydrophobicContact CG2-CZ 4.14Å
251	S	97.9	Very high	98.1	Very high	11 Å²	11	38.4 Å²	38.4	8%	0.077	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	158.8	173	65	0	0	0	0	111.8	P213 K253 E254 A255	P213-S251 CarbonylContact O-C 3.53Å; P213-S251 VanDerWaalsContact O-CA 3.28Å; P213-S251 WeakPolarHBondContact O-CA 3.4Å; S251-K253 PolarHBondContact O-N 3.44Å; S251-E254 WeakPolarHBondContact CB-OE2 3.47Å; S251-E254 PolarHBondContact N-OE2 2.59Å; S251-E254 PolarHBondContact O-N 3.4Å; S251-E254 WeakPolarHBondContact OG-CB 3.36Å; S251-E254 VanDerWaalsContact OG-CG 3.24Å; S251-E254 WeakPolarHBondContact OG-CG 3.46Å; S251-E254 PolarHBondContact OG-N 3.13Å; S251-E254 VanDerWaalsContact OG-N 3.12Å; S251-E254 PolarHBondContact OG-OE2 3.42Å; S251-A255 WeakPolarHBondContact O-CB 3.49Å; S251-A255 PolarHBondContact O-N 2.95Å
252	I	96.9	Very high	98.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-32.5	173.1	-61.1	-49.2	0	0	0	111.5	V187 V207 G211 P213 R215 F217 A255 A256	V187-I252 HydrophobicContact CG1-CD1 4.06Å; V187-I252 HydrophobicContact CG2-CD1 3.94Å; V187-I252 HydrophobicContact CG2-CG2 4.11Å; V207-I252 HydrophobicContact CG1-CG2 3.95Å; G211-I252 PolarHBondContact O-N 2.79Å; P213-I252 HydrophobicContact CB-CG1 4.23Å; P213-I252 PolarHBondContact O-N 2.95Å; R215-I252 HydrophobicContact CG-CD1 3.9Å; F217-I252 HydrophobicContact CZ-CD1 4.45Å; I252-A255 PolarHBondContact O-N 3.06Å; I252-A256 WeakPolarHBondContact O-CB 3.42Å; I252-A256 PolarHBondContact O-N 2.81Å
253	K	97.9	Very high	98.1	Very high	100 Å²	100	40.5 Å²	40.5	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-52.3	172.5	175.8	172.9	173.1	-177.9	0	111.7	G211 S251 A255 A256 E257 F271	G211-K253 PolarHBondContact O-N 2.71Å; S251-K253 PolarHBondContact O-N 3.44Å; K253-A255 VanDerWaalsContact C-N 3.25Å; K253-A255 PolarHBondContact O-N 2.88Å; K253-A256 PolarHBondContact O-N 3.21Å; K253-A256 VanDerWaalsContact O-N 3.12Å; K253-E257 WeakPolarHBondContact CE-OE1 3.2Å; K253-E257 IonicContact NZ-OE1 3.1Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.47Å; K253-F271 HydrophobicContact CB-CE1 4.28Å; K253-F271 HydrophobicContact CB-CZ 4.04Å; K253-F271 HydrophobicContact CD-CZ 4.31Å; K253-F271 HydrophobicContact CG-CZ 3.9Å
254	E	98.5	Very high	98.1	Very high	79 Å²	79	45.1 Å²	45.1	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-36.8	177.6	-72.4	157.3	158.2	0	0	111.5	R214 V250 S251 E257 A258	R214-E254 IonicContact NH1-OE2 2.83Å; R214-E254 IonicContact NH2-OE2 3.77Å; V250-E254 HydrophobicContact CB-CB 4.25Å; S251-E254 WeakPolarHBondContact CB-OE2 3.47Å; S251-E254 PolarHBondContact N-OE2 2.59Å; S251-E254 PolarHBondContact O-N 3.4Å; S251-E254 WeakPolarHBondContact OG-CB 3.36Å; S251-E254 VanDerWaalsContact OG-CG 3.24Å; S251-E254 WeakPolarHBondContact OG-CG 3.46Å; S251-E254 PolarHBondContact OG-N 3.13Å; S251-E254 VanDerWaalsContact OG-N 3.12Å; S251-E254 PolarHBondContact OG-OE2 3.42Å; E254-E257 PolarHBondContact O-N 2.81Å; E254-A258 PolarHBondContact O-N 3.5Å
255	A	98.4	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-42.5	174.2	0	0	0	0	0	112.5	L188 F217 S251 I252 K253 A258 V259 F301	L188-A255 HydrophobicContact CD1-CB 4.25Å; F217-A255 HydrophobicContact CE2-CB 4.11Å; F217-A255 HydrophobicContact CZ-CB 4.44Å; S251-A255 WeakPolarHBondContact O-CB 3.49Å; S251-A255 PolarHBondContact O-N 2.95Å; I252-A255 PolarHBondContact O-N 3.06Å; K253-A255 VanDerWaalsContact C-N 3.25Å; K253-A255 PolarHBondContact O-N 2.88Å; A255-A258 PolarHBondContact O-N 3.49Å; A255-V259 WeakPolarHBondContact O-CG2 3.42Å; A255-V259 PolarHBondContact O-N 3Å; A255-V259 VanDerWaalsContact O-N 3.16Å; A255-F301 HydrophobicContact CB-CZ 4.1Å
256	A	98.3	Very high	98	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-41.6	175.2	0	0	0	0	0	111.6	L191 V207 I252 K253 A258 V259 V260	L191-A256 HydrophobicContact CD1-CB 4.12Å; L191-A256 HydrophobicContact CD2-CB 4.25Å; V207-A256 HydrophobicContact CG2-CB 3.99Å; I252-A256 WeakPolarHBondContact O-CB 3.42Å; I252-A256 PolarHBondContact O-N 2.81Å; K253-A256 PolarHBondContact O-N 3.21Å; K253-A256 VanDerWaalsContact O-N 3.12Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 3.45Å; A256-V259 PolarHBondContact O-N 2.85Å; A256-V260 VanDerWaalsContact O-CG2 3.31Å; A256-V260 WeakPolarHBondContact O-CG2 3.28Å; A256-V260 PolarHBondContact O-N 2.94Å
257	E	98.5	Very high	98	Very high	99 Å²	99	51 Å²	51	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-42.1	175	-72.1	168.4	173.1	0	0	111.7	K253 E254 V259 V260 E261	K253-E257 WeakPolarHBondContact CE-OE1 3.2Å; K253-E257 IonicContact NZ-OE1 3.1Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.47Å; E254-E257 PolarHBondContact O-N 2.81Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 2.66Å; E257-V260 PolarHBondContact O-N 3.36Å; E257-E261 WeakPolarHBondContact O-CB 3.44Å; E257-E261 PolarHBondContact O-N 2.91Å
258	A	98.8	Very high	97.9	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-37.7	175.5	0	0	0	0	0	112.8	E254 A255 A256 A262 F301 K302 V305	E254-A258 PolarHBondContact O-N 3.5Å; A255-A258 PolarHBondContact O-N 3.49Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 3.45Å; A258-A262 WeakPolarHBondContact O-CB 3.41Å; A258-A262 PolarHBondContact O-N 2.97Å; A258-F301 HydrophobicContact CB-CD1 4.42Å; A258-F301 HydrophobicContact CB-CE1 3.78Å; A258-K302 HydrophobicContact CB-CG 4.46Å; A258-V305 HydrophobicContact CB-CG1 4.28Å; A258-V305 HydrophobicContact CB-CG2 4.48Å
259	V	98.8	Very high	97.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-43.1	175.4	175.7	0	0	0	0	111	L188 L191 I192 V195 A255 A256 E257 E261 A262 M263 V305	L188-V259 HydrophobicContact CD1-CG2 3.66Å; L191-V259 HydrophobicContact CB-CG2 4.44Å; I192-V259 HydrophobicContact CB-CG1 4.44Å; I192-V259 HydrophobicContact CG1-CG1 3.91Å; I192-V259 HydrophobicContact CG1-CG2 3.91Å; V195-V259 HydrophobicContact CB-CG1 4.07Å; V195-V259 HydrophobicContact CG2-CG1 3.81Å; A255-V259 WeakPolarHBondContact O-CG2 3.42Å; A255-V259 PolarHBondContact O-N 3Å; A255-V259 VanDerWaalsContact O-N 3.16Å; A256-V259 PolarHBondContact O-N 2.85Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 2.66Å; V259-E261 VanDerWaalsContact C-N 3.35Å; V259-E261 PolarHBondContact O-N 3.15Å; V259-A262 PolarHBondContact O-N 3.26Å; V259-M263 HydrophobicContact CG1-CG 4.31Å; V259-M263 HydrophobicContact CG1-SD 4.07Å; V259-M263 WeakPolarHBondContact O-CB 3.28Å; V259-M263 WeakPolarHBondContact O-CG 3.34Å; V259-M263 PolarHBondContact O-N 3.16Å; V259-V305 HydrophobicContact CG2-CG1 3.87Å
260	V	98.5	Very high	98	Very high	25 Å²	25	50.9 Å²	50.9	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-45.8	177.2	166.6	0	0	0	0	111	V195 L205 A256 E257 D264 F265 V269	V195-V260 HydrophobicContact CG2-CG2 4.29Å; L205-V260 HydrophobicContact CD2-CG2 3.84Å; A256-V260 VanDerWaalsContact O-CG2 3.31Å; A256-V260 WeakPolarHBondContact O-CG2 3.28Å; A256-V260 PolarHBondContact O-N 2.94Å; E257-V260 PolarHBondContact O-N 3.36Å; V260-D264 PolarHBondContact O-N 3.05Å; V260-D264 VanDerWaalsContact O-N 3.16Å; V260-F265 HydrophobicContact CG1-CB 4.26Å; V260-F265 HydrophobicContact CG1-CD1 4.23Å; V260-F265 VanDerWaalsContact CG1-O 3.28Å; V260-F265 WeakPolarHBondContact CG1-O 3.14Å; V260-F265 HydrophobicContact CG2-CD1 4.17Å; V260-F265 PolarHBondContact O-N 2.98Å; V260-F265 VanDerWaalsContact O-N 3.09Å; V260-V269 HydrophobicContact CG2-CG2 4.06Å
261	E	98.6	Very high	97.9	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	27%	0.273	S	S	*	.	H	α-helix	trans	-61.4	-48.8	174.3	-175.7	-174.9	165.4	0	0	111.2	E257 V259 M263 D264 K302	E257-E261 WeakPolarHBondContact O-CB 3.44Å; E257-E261 PolarHBondContact O-N 2.91Å; V259-E261 VanDerWaalsContact C-N 3.35Å; V259-E261 PolarHBondContact O-N 3.15Å; E261-M263 VanDerWaalsContact C-N 3.32Å; E261-M263 PolarHBondContact O-N 2.9Å; E261-D264 PolarHBondContact O-N 3.41Å; E261-K302 IonicContact OE1-NZ 3.95Å; E261-K302 IonicContact OE2-NZ 3.57Å; E261-K302 PolarHBondContact OE2-NZ 3.33Å
262	A	98.6	Very high	97.7	Very high	28 Å²	28	54.5 Å²	54.5	23%	0.231	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-34.1	-177.8	0	0	0	0	0	114	A258 V259 V305 K306 C309	A258-A262 WeakPolarHBondContact O-CB 3.41Å; A258-A262 PolarHBondContact O-N 2.97Å; V259-A262 PolarHBondContact O-N 3.26Å; A262-V305 HydrophobicContact CB-CG1 4.08Å; A262-K306 HydrophobicContact CB-CB 4.18Å; A262-K306 HydrophobicContact CB-CG 4.49Å; A262-C309 HydrophobicContact CB-CB 4.19Å
263	M	98.4	Very high	97.5	Very high	16 Å²	16	58.9 Å²	58.9	8%	0.079	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.7	-178	-62.8	-163	73.2	0	0	113.6	I192 V195 H196 K199 V259 E261 F265 C309	I192-M263 HydrophobicContact CG2-SD 4.05Å; V195-M263 HydrophobicContact CB-SD 3.85Å; V195-M263 HydrophobicContact CG1-CB 3.69Å; V195-M263 HydrophobicContact CG1-CG 4.14Å; V195-M263 HydrophobicContact CG1-SD 3.68Å; H196-M263 HydrophobicContact CB-CE 3.88Å; K199-M263 PolarHBondContact NZ-O 3.45Å; V259-M263 HydrophobicContact CG1-CG 4.31Å; V259-M263 HydrophobicContact CG1-SD 4.07Å; V259-M263 WeakPolarHBondContact O-CB 3.28Å; V259-M263 WeakPolarHBondContact O-CG 3.34Å; V259-M263 PolarHBondContact O-N 3.16Å; E261-M263 VanDerWaalsContact C-N 3.32Å; E261-M263 PolarHBondContact O-N 2.9Å; M263-F265 PolarHBondContact O-N 3.16Å; M263-C309 HydrophobicContact CG-CB 3.76Å; M263-C309 HydrophobicContact SD-CB 4.39Å
264	D	98	Very high	97.3	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	57.2	-178.9	-166.8	45.1	0	0	0	111.1	K199 V260 E261 H266	K199-D264 PolarHBondContact NZ-O 3.43Å; V260-D264 PolarHBondContact O-N 3.05Å; V260-D264 VanDerWaalsContact O-N 3.16Å; E261-D264 PolarHBondContact O-N 3.41Å; D264-H266 IonicContact OD1-CE1 3.31Å; D264-H266 PolarHBondContact OD1-CE1 3.41Å; D264-H266 IonicContact OD1-NE2 3.92Å; D264-H266 PolarHBondContact OD1-NE2 2.98Å; D264-H266 IonicContact OD2-NE2 3.89Å
265	F	98.3	Very high	96.7	Very high	15 Å²	15	59.1 Å²	59.1	7%	0.066	32%	0.32	C	S	.	.			trans	-102.6	127.4	179.2	178	-103	0	0	0	110.1	V195 A198 K199 S203 L205 V260 M263 G267 V269	V195-F265 HydrophobicContact CG1-CB 3.76Å; V195-F265 HydrophobicContact CG1-CD2 4.44Å; V195-F265 HydrophobicContact CG1-CG 4.05Å; A198-F265 HydrophobicContact CB-CE2 3.67Å; A198-F265 HydrophobicContact CB-CZ 3.8Å; K199-F265 HydrophobicContact CB-CD2 4.08Å; S203-F265 WeakPolarHBondContact O-CZ 3.34Å; L205-F265 HydrophobicContact CB-CE1 3.92Å; L205-F265 HydrophobicContact CB-CZ 4.33Å; V260-F265 HydrophobicContact CG1-CB 4.26Å; V260-F265 HydrophobicContact CG1-CD1 4.23Å; V260-F265 VanDerWaalsContact CG1-O 3.28Å; V260-F265 WeakPolarHBondContact CG1-O 3.14Å; V260-F265 HydrophobicContact CG2-CD1 4.17Å; V260-F265 PolarHBondContact O-N 2.98Å; V260-F265 VanDerWaalsContact O-N 3.09Å; M263-F265 PolarHBondContact O-N 3.16Å; F265-G267 WeakPolarHBondContact CE1-O 3.26Å; F265-G267 VanDerWaalsContact CZ-CA 3.44Å; F265-V269 HydrophobicContact CE1-CG2 4.47Å
266	H	97.1	Very high	95.9	Very high	159 Å²	159	63.2 Å²	63.2	74%	0.736	35%	0.349	S	S	*	.			trans	-115.7	7.9	-177.6	-52.1	-50.7	0	0	0	113.5	D264	D264-H266 IonicContact OD1-CE1 3.31Å; D264-H266 PolarHBondContact OD1-CE1 3.41Å; D264-H266 IonicContact OD1-NE2 3.92Å; D264-H266 PolarHBondContact OD1-NE2 2.98Å; D264-H266 IonicContact OD2-NE2 3.89Å
267	G	96.7	Very high	95.1	Very high	35 Å²	35	65.7 Å²	65.7	36%	0.361	36%	0.362	S	S	.	.	S	Bend	trans	-75.9	172.9	176	0	0	0	0	0	112.5	F265	F265-G267 WeakPolarHBondContact CE1-O 3.26Å; F265-G267 VanDerWaalsContact CZ-CA 3.44Å
268	E	96.9	Very high	94.4	Very high	138 Å²	138	62.6 Å²	62.6	65%	0.645	36%	0.357	S	S	*	.			trans	-65.8	141.6	178.2	-171.9	-177.9	178	0	0	111.6	A204 L205 T270	A204-E268 CarbonylContact C-O 3.54Å; A204-E268 WeakPolarHBondContact CA-O 3.37Å; A204-E268 HydrophobicContact CB-CB 4.02Å; A204-E268 WeakPolarHBondContact CB-O 3.38Å; L205-E268 PolarHBondContact N-O 2.83Å; E268-T270 HydrophobicContact CG-CG2 3.97Å
269	V	97.6	Very high	93.5	Very high	57 Å²	57	64.2 Å²	64.2	35%	0.345	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.7	173.1	-178.7	0	0	0	0	109.3	L205 V207 V260 F265 F271	L205-V269 HydrophobicContact CB-CG2 4.34Å; L205-V269 HydrophobicContact CD2-CG1 4.06Å; L205-V269 HydrophobicContact CD2-CG2 4.14Å; V207-V269 HydrophobicContact CG2-CG1 4.23Å; V260-V269 HydrophobicContact CG2-CG2 4.06Å; F265-V269 HydrophobicContact CE1-CG2 4.47Å; V269-F271 HydrophobicContact CG1-CE2 4.21Å; V269-F271 HydrophobicContact CG1-CZ 4.49Å
270	T	96.7	Very high	92.9	Very high	40 Å²	40	69.7 Å²	69.7	25%	0.245	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.4	-177.9	59.5	0	0	0	0	111.3	L205 T206 V207 E268	L205-T270 PolarHBondContact O-N 2.88Å; L205-T270 PolarHBondContact O-OG1 3.47Å; T206-T270 PolarHBondContact OG1-OG1 3.11Å; V207-T270 PolarHBondContact N-O 2.92Å; E268-T270 HydrophobicContact CG-CG2 3.97Å
271	F	96.4	Very high	92.4	Very high	68 Å²	68	72 Å²	72	30%	0.298	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	179.1	-71.4	-89.9	0	0	0	109.7	V207 G209 K253 V269 T273	V207-F271 HydrophobicContact CB-CD1 3.79Å; V207-F271 HydrophobicContact CB-CE1 3.83Å; V207-F271 HydrophobicContact CG1-CD1 3.92Å; V207-F271 HydrophobicContact CG1-CE1 3.78Å; V207-F271 HydrophobicContact CG2-CE1 4.21Å; V207-F271 CarbonylContact O-C 3.58Å; V207-F271 WeakPolarHBondContact O-CA 3.28Å; G209-F271 WeakPolarHBondContact O-CB 3.32Å; K253-F271 HydrophobicContact CB-CE1 4.28Å; K253-F271 HydrophobicContact CB-CZ 4.04Å; K253-F271 HydrophobicContact CD-CZ 4.31Å; K253-F271 HydrophobicContact CG-CZ 3.9Å; V269-F271 HydrophobicContact CG1-CE2 4.21Å; V269-F271 HydrophobicContact CG1-CZ 4.49Å; F271-T273 PolarHBondContact O-N 3.44Å
272	D	94	Very high	92	Very high	44 Å²	44	68.4 Å²	68.4	24%	0.235	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	93.1	177.6	178.9	6.4	0	0	0	110.3	T206 V207 G209 S274 K275	T206-D272 HydrophobicContact CG2-CB 3.69Å; V207-D272 PolarHBondContact O-N 3.34Å; G209-D272 WeakPolarHBondContact CA-O 3.45Å; G209-D272 PolarHBondContact N-O 3.02Å; D272-S274 VanDerWaalsContact CG-OG 3.31Å; D272-S274 PolarHBondContact O-N 2.9Å; D272-S274 WeakPolarHBondContact OD1-CB 3.31Å; D272-S274 PolarHBondContact OD1-N 3.43Å; D272-S274 PolarHBondContact OD1-OG 3.37Å; D272-S274 PolarHBondContact OD2-OG 2.89Å; D272-K275 PolarHBondContact O-N 3.47Å; D272-K275 WeakPolarHBondContact OD2-CG 3.43Å
273	T	93.3	Very high	91.9	Very high	106 Å²	106	67.6 Å²	67.6	65%	0.65	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.4	179.3	57.8	0	0	0	0	113.8	T210 F271 K275	T210-T273 HydrophobicContact CG2-CG2 4.15Å; F271-T273 PolarHBondContact O-N 3.44Å; T273-K275 PolarHBondContact O-N 2.91Å
274	S	92.1	Very high	91.9	Very high	98 Å²	98	66.9 Å²	66.9	69%	0.685	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-19	169.6	79.2	0	0	0	0	112.2	D272	D272-S274 VanDerWaalsContact CG-OG 3.31Å; D272-S274 PolarHBondContact O-N 2.9Å; D272-S274 WeakPolarHBondContact OD1-CB 3.31Å; D272-S274 PolarHBondContact OD1-N 3.43Å; D272-S274 PolarHBondContact OD1-OG 3.37Å; D272-S274 PolarHBondContact OD2-OG 2.89Å
275	K	86.7	Confident	91.9	Very high	85 Å²	85	62.7 Å²	62.7	37%	0.37	35%	0.345	S	S	.	.	S	Bend	trans	-90.4	148.4	177.6	-58.6	-67.4	-176.3	-179.3	0	111.3	W208 D272 T273	W208-K275 HydrophobicContact CB-CB 3.82Å; W208-K275 HydrophobicContact CB-CG 4.01Å; W208-K275 HydrophobicContact CD2-CG 4.19Å; W208-K275 HydrophobicContact CG-CB 4.18Å; W208-K275 HydrophobicContact CG-CG 3.81Å; D272-K275 PolarHBondContact O-N 3.47Å; D272-K275 WeakPolarHBondContact OD2-CG 3.43Å; T273-K275 PolarHBondContact O-N 2.91Å
276	S	81.4	Confident	91.9	Very high	86 Å²	86	62.6 Å²	62.6	60%	0.601	35%	0.345	S	S	*	.			trans	-67.7	135.7	179.9	-177	0	0	0	0	112.3	G278	S276-G278 PolarHBondContact O-N 3.34Å; S276-G278 PolarHBondContact OG-N 2.93Å
277	D	82.8	Confident	92	Very high	54 Å²	54	58.4 Å²	58.4	29%	0.289	33%	0.334	S	S	.	.			trans	-70	-13.9	170.8	-86.3	-7.7	0	0	0	113.6	G209 T210 P213	G209-D277 WeakPolarHBondContact CA-OD1 3.24Å; T210-D277 WeakPolarHBondContact CB-OD2 3.38Å; T210-D277 VanDerWaalsContact CG2-OD2 3.24Å; T210-D277 WeakPolarHBondContact CG2-OD2 3.19Å; T210-D277 PolarHBondContact N-OD1 3.47Å; T210-D277 PolarHBondContact OG1-OD1 3.46Å; T210-D277 PolarHBondContact OG1-OD2 3.2Å; P213-D277 HydrophobicContact CG-CB 3.68Å; P213-D277 WeakPolarHBondContact CG-O 3.43Å
278	G	82.1	Confident	92.1	Very high	35 Å²	35	58.2 Å²	58.2	36%	0.361	32%	0.323	S	S	.	.			trans	61.3	-152.1	-166.7	0	0	0	0	0	111.9	S276	S276-G278 PolarHBondContact O-N 3.34Å; S276-G278 PolarHBondContact OG-N 2.93Å
279	Q	81.3	Confident	92.2	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	29%	0.292	C	S	.	.			trans	-71.3	136.3	179	-157.8	174.6	12.9	0	0	110.7	D120 R215	D120-Q279 PolarHBondContact O-NE2 3.06Å; D120-Q279 PolarHBondContact OD1-NE2 2.89Å; R215-Q279 PolarHBondContact NH1-O 2.83Å; R215-Q279 PolarHBondContact NH2-O 2.9Å
280	F	84.9	Confident	92.3	Very high	114 Å²	114	52.2 Å²	52.2	50%	0.5	29%	0.288	S	S	.	.	S	Bend	trans	-67.7	-44.5	-174	-172.6	-107.6	0	0	0	113	K212 P213 R214 R215	K212-F280 HydrophobicContact CB-CE2 3.88Å; P213-F280 WeakPolarHBondContact CA-O 3.39Å; R214-F280 PolarHBondContact N-O 3.48Å; R215-F280 PolarHBondContact NH1-O 2.87Å; R215-F280 VanDerWaalsContact NH1-O 3.09Å
281	K	88.1	Confident	92.4	Very high	75 Å²	75	55.9 Å²	55.9	33%	0.326	31%	0.31	S	S	.	.			trans	-134.2	156.6	178.2	-75.2	-174.7	175.5	-160.2	0	111.4	Y124 R214	Y124-K281 HydrophobicContact CE1-CB 4.46Å; Y124-K281 PolarHBondContact OH-O 2.93Å; Y124-K281 VanDerWaalsContact OH-O 3.12Å; R214-K281 HydrophobicContact CB-CG 4.41Å
282	K	90.8	Very high	92.5	Very high	47 Å²	47	57.1 Å²	57.1	20%	0.204	31%	0.314	C	S	.	.			trans	-144.6	35.4	170.8	-69	-175.1	172.1	179.2	0	110.2	A284	K282-A284 PolarHBondContact O-N 3.31Å; K282-A284 VanDerWaalsContact O-N 3.12Å
283	T	96.8	Very high	92.7	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.312	C	S	.	.			trans	-60.5	114.5	-169.9	-43.9	0	0	0	0	110	P125 I126 E246 E249	P125-T283 WeakPolarHBondContact CA-O 3.39Å; I126-T283 WeakPolarHBondContact CG1-O 3.24Å; I126-T283 PolarHBondContact N-O 3.02Å; E246-T283 HydrophobicContact CB-CG2 4Å; E246-T283 HydrophobicContact CG-CG2 4Å; E249-T283 PolarHBondContact OE1-OG1 3.14Å; E249-T283 PolarHBondContact OE2-OG1 2.69Å
284	A	98.1	Very high	93	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-106.8	136.1	-177.9	0	0	0	0	0	110.7	T115 I126 T171 Q216 I241 K282	T115-A284 HydrophobicContact CG2-CB 4.25Å; I126-A284 HydrophobicContact CD1-CB 4.34Å; I126-A284 HydrophobicContact CG1-CB 3.9Å; I126-A284 WeakPolarHBondContact O-CA 3.34Å; T171-A284 HydrophobicContact CG2-CB 4.13Å; Q216-A284 PolarHBondContact NE2-O 3.43Å; Q216-A284 PolarHBondContact OE1-O 3.29Å; I241-A284 HydrophobicContact CD1-CB 4.27Å; I241-A284 HydrophobicContact CG2-CB 4.05Å; K282-A284 PolarHBondContact O-N 3.31Å; K282-A284 VanDerWaalsContact O-N 3.12Å
285	S	98.6	Very high	93.3	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.07	31%	0.305	C	S	.	.			trans	-80.2	134.1	177.1	-161	0	0	0	0	110	I126 I241 E246 S287	I126-S285 PolarHBondContact O-N 3.41Å; I241-S285 WeakPolarHBondContact CD1-O 3.28Å; I241-S285 WeakPolarHBondContact CG2-O 3.44Å; E246-S285 WeakPolarHBondContact OE1-CA 3.44Å; E246-S285 WeakPolarHBondContact OE1-CB 3.28Å; E246-S285 PolarHBondContact OE1-OG 2.74Å; S285-S287 PolarHBondContact OG-N 3.44Å; S285-S287 PolarHBondContact OG-OG 2.96Å
286	N	98.6	Very high	93.8	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.064	29%	0.294	C	S	.	.			trans	-100.1	18.5	171	70.1	-3.5	0	0	0	112.2	S243 V244 G245 K288 L289 R290	S243-N286 WeakPolarHBondContact O-CB 3.3Å; S243-N286 PolarHBondContact O-ND2 3.41Å; V244-N286 VanDerWaalsContact C-ND2 3.27Å; V244-N286 PolarHBondContact O-ND2 3.22Å; G245-N286 WeakPolarHBondContact CA-ND2 3.35Å; G245-N286 PolarHBondContact N-ND2 2.94Å; N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 3.47Å; N286-L289 HydrophobicContact CB-CB 4.35Å; N286-L289 WeakPolarHBondContact O-CA 3.42Å; N286-L289 WeakPolarHBondContact O-CB 3.42Å; N286-L289 PolarHBondContact O-N 3.41Å; N286-R290 WeakPolarHBondContact O-CG 3.4Å; N286-R290 PolarHBondContact O-N 3.2Å
287	S	98.8	Very high	94.6	Very high	72 Å²	72	59.7 Å²	59.7	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-54	-41.3	-177.6	-65.2	0	0	0	0	112.9	S285 R290 T291	S285-S287 PolarHBondContact OG-N 3.44Å; S285-S287 PolarHBondContact OG-OG 2.96Å; S287-R290 PolarHBondContact O-N 3.14Å; S287-T291 PolarHBondContact O-N 3.17Å; S287-T291 VanDerWaalsContact O-N 3.1Å; S287-T291 PolarHBondContact O-OG1 3.37Å
288	K	98.8	Very high	95.4	Very high	31 Å²	31	58.6 Å²	58.6	14%	0.135	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-52.1	174.5	-174.4	-179.1	-72.5	-159.7	0	111	E128 Y234 E236 E238 P239 I240 N286 R290 T291 Y292	E128-K288 WeakPolarHBondContact OE1-CB 3.38Å; Y234-K288 HydrophobicContact CE2-CD 4.46Å; Y234-K288 WeakPolarHBondContact OH-CD 3.34Å; Y234-K288 PolarHBondContact OH-NZ 2.96Å; E236-K288 IonicContact OE2-NZ 2.68Å; E236-K288 PolarHBondContact OE2-NZ 2.89Å; E238-K288 IonicContact OE2-NZ 2.75Å; E238-K288 PolarHBondContact OE2-NZ 3.17Å; P239-K288 PolarHBondContact O-NZ 3.28Å; P239-K288 VanDerWaalsContact O-NZ 3.14Å; I240-K288 HydrophobicContact CB-CD 4.11Å; I240-K288 HydrophobicContact CD1-CD 4.18Å; I240-K288 HydrophobicContact CD1-CG 4.1Å; I240-K288 HydrophobicContact CG1-CB 4.49Å; I240-K288 HydrophobicContact CG1-CD 3.9Å; I240-K288 HydrophobicContact CG1-CG 4.13Å; N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 3.47Å; K288-R290 VanDerWaalsContact C-N 3.29Å; K288-R290 PolarHBondContact O-N 2.93Å; K288-T291 WeakPolarHBondContact O-CB 3.47Å; K288-T291 PolarHBondContact O-N 3.13Å; K288-Y292 HydrophobicContact CG-CD2 4.28Å; K288-Y292 HydrophobicContact CG-CE2 4.18Å; K288-Y292 WeakPolarHBondContact O-CD2 3.45Å; K288-Y292 PolarHBondContact O-N 3.26Å
289	L	98.8	Very high	96.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.2	-42.6	176.3	174.7	63.4	0	0	0	112.2	L226 I240 L242 N286 T291 Y292 L293 F298	L226-L289 HydrophobicContact CD1-CD2 4.18Å; L226-L289 HydrophobicContact CD2-CD1 4.03Å; I240-L289 HydrophobicContact CD1-CB 4.41Å; L242-L289 HydrophobicContact CD2-CD1 4.1Å; L242-L289 HydrophobicContact CD2-CD2 4.41Å; N286-L289 HydrophobicContact CB-CB 4.35Å; N286-L289 WeakPolarHBondContact O-CA 3.42Å; N286-L289 WeakPolarHBondContact O-CB 3.42Å; N286-L289 PolarHBondContact O-N 3.41Å; L289-T291 VanDerWaalsContact C-N 3.27Å; L289-T291 PolarHBondContact O-N 2.99Å; L289-Y292 PolarHBondContact O-N 3.42Å; L289-Y292 VanDerWaalsContact O-N 3.12Å; L289-L293 HydrophobicContact CD1-CB 4.28Å; L289-L293 HydrophobicContact CD1-CD1 4.01Å; L289-L293 HydrophobicContact CD1-CG 4.48Å; L289-L293 PolarHBondContact O-N 3.21Å; L289-F298 HydrophobicContact CD2-CZ 3.99Å
290	R	98.7	Very high	97	Very high	69 Å²	69	60.5 Å²	60.5	26%	0.26	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-23.8	179.4	-67.8	-59.1	-174	-173.8	1.2	113.9	N286 S287 K288 P294 F296	N286-R290 WeakPolarHBondContact O-CG 3.4Å; N286-R290 PolarHBondContact O-N 3.2Å; S287-R290 PolarHBondContact O-N 3.14Å; K288-R290 VanDerWaalsContact C-N 3.29Å; K288-R290 PolarHBondContact O-N 2.93Å; R290-P294 VanDerWaalsContact O-CA 3.31Å; R290-P294 WeakPolarHBondContact O-CA 3.3Å; R290-P294 WeakPolarHBondContact O-CB 3.47Å; R290-P294 WeakPolarHBondContact O-CD 3.35Å; R290-F296 PolarHBondContact NH1-O 3.31Å
291	T	98.8	Very high	97.7	Very high	116 Å²	116	57.4 Å²	57.4	71%	0.712	29%	0.289	S	S	*	.	H	α-helix	trans	-68.5	-38.5	170.4	-55.6	0	0	0	0	111.3	S287 K288 L289	S287-T291 PolarHBondContact O-N 3.17Å; S287-T291 VanDerWaalsContact O-N 3.1Å; S287-T291 PolarHBondContact O-OG1 3.37Å; K288-T291 WeakPolarHBondContact O-CB 3.47Å; K288-T291 PolarHBondContact O-N 3.13Å; L289-T291 VanDerWaalsContact C-N 3.27Å; L289-T291 PolarHBondContact O-N 2.99Å
292	Y	98.8	Very high	98.2	Very high	95 Å²	95	59.6 Å²	59.6	37%	0.373	30%	0.298	S	S	.	.	H	α-helix	trans	-81.5	-41.1	-179.9	-81.2	-78.2	0	0	0	113.7	W229 Y234 E236 I240 K288 L289	W229-Y292 AromaticContact CH2-CD1 3.79Å; W229-Y292 HydrophobicContact CH2-CD1 3.79Å; W229-Y292 HydrophobicContact CH2-CD2 4.29Å; W229-Y292 AromaticContact CH2-CG 3.62Å; W229-Y292 HydrophobicContact CH2-CG 3.62Å; W229-Y292 AromaticContact CZ2-CD1 3.69Å; W229-Y292 HydrophobicContact CZ2-CD1 3.69Å; W229-Y292 AromaticContact CZ2-CG 3.86Å; W229-Y292 HydrophobicContact CZ2-CG 3.86Å; Y234-Y292 HydrophobicContact CD2-CD2 4.48Å; Y234-Y292 HydrophobicContact CD2-CE1 4.26Å; Y234-Y292 AromaticContact CD2-CE2 4Å; Y234-Y292 HydrophobicContact CD2-CE2 4Å; Y234-Y292 AromaticContact CD2-CZ 3.87Å; Y234-Y292 HydrophobicContact CE2-CD2 4.36Å; Y234-Y292 AromaticContact CE2-CE2 3.65Å; Y234-Y292 HydrophobicContact CE2-CE2 3.65Å; Y234-Y292 AromaticContact CE2-CZ 3.8Å; E236-Y292 PolarHBondContact OE1-OH 2.82Å; I240-Y292 HydrophobicContact CD1-CD2 4.23Å; K288-Y292 HydrophobicContact CG-CD2 4.28Å; K288-Y292 HydrophobicContact CG-CE2 4.18Å; K288-Y292 WeakPolarHBondContact O-CD2 3.45Å; K288-Y292 PolarHBondContact O-N 3.26Å; L289-Y292 PolarHBondContact O-N 3.42Å; L289-Y292 VanDerWaalsContact O-N 3.12Å
293	L	98.8	Very high	98.6	Very high	38 Å²	38	62 Å²	62	20%	0.199	31%	0.311	C	S	.	.			trans	-133.7	67.3	-172.8	-66.4	178.4	0	0	0	110.6	L226 W229 L289 D295 F296	L226-L293 HydrophobicContact CD2-CD1 3.66Å; W229-L293 HydrophobicContact CD2-CD1 3.65Å; W229-L293 HydrophobicContact CD2-CG 4.24Å; W229-L293 HydrophobicContact CE3-CD1 3.92Å; W229-L293 HydrophobicContact CG-CD1 3.94Å; W229-L293 HydrophobicContact CZ2-CD1 4.47Å; W229-L293 HydrophobicContact CZ2-CG 4.25Å; W229-L293 HydrophobicContact CZ3-CD1 4.45Å; L289-L293 HydrophobicContact CD1-CB 4.28Å; L289-L293 HydrophobicContact CD1-CD1 4.01Å; L289-L293 HydrophobicContact CD1-CG 4.48Å; L289-L293 PolarHBondContact O-N 3.21Å; L293-D295 PolarHBondContact O-N 3.16Å; L293-F296 HydrophobicContact CB-CB 3.94Å; L293-F296 PolarHBondContact O-N 3.45Å
294	P	98.5	Very high	98.7	Very high	75 Å²	75	61.5 Å²	61.5	49%	0.487	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.9	-177.3	23.6	-33.6	0	0	0	112.4	R290	R290-P294 VanDerWaalsContact O-CA 3.31Å; R290-P294 WeakPolarHBondContact O-CA 3.3Å; R290-P294 WeakPolarHBondContact O-CB 3.47Å; R290-P294 WeakPolarHBondContact O-CD 3.35Å
295	D	98.5	Very high	98.7	Very high	129 Å²	129	61.5 Å²	61.5	69%	0.69	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.6	-174.1	-61.7	-49.7	0	0	0	114.4	L293 R297	L293-D295 PolarHBondContact O-N 3.16Å; D295-R297 PolarHBondContact O-N 3.03Å
296	F	98.7	Very high	98.7	Very high	33 Å²	33	67.6 Å²	67.6	15%	0.145	33%	0.332	C	S	.	.			trans	-62.7	124.3	178.2	-177.4	-90.7	0	0	0	110.6	D222 Q225 L226 R290 L293 F298	D222-F296 HydrophobicContact CB-CE1 4.5Å; D222-F296 HydrophobicContact CB-CZ 4.29Å; Q225-F296 HydrophobicContact CB-CE2 4.25Å; L226-F296 HydrophobicContact CD1-CE1 4.07Å; L226-F296 HydrophobicContact CD1-CZ 4.3Å; L226-F296 HydrophobicContact CD2-CD1 4.11Å; L226-F296 HydrophobicContact CD2-CD2 3.97Å; L226-F296 HydrophobicContact CD2-CE1 4.02Å; L226-F296 HydrophobicContact CD2-CE2 3.88Å; L226-F296 HydrophobicContact CD2-CG 4.09Å; L226-F296 HydrophobicContact CD2-CZ 3.91Å; L226-F296 HydrophobicContact CG-CE1 4.08Å; L226-F296 HydrophobicContact CG-CE2 4.23Å; L226-F296 HydrophobicContact CG-CZ 3.86Å; R290-F296 PolarHBondContact NH1-O 3.31Å; L293-F296 HydrophobicContact CB-CB 3.94Å; L293-F296 PolarHBondContact O-N 3.45Å; F296-F298 HydrophobicContact CD1-CD1 4.38Å; F296-F298 HydrophobicContact CD1-CD2 4.09Å; F296-F298 HydrophobicContact CD1-CE1 4.21Å; F296-F298 AromaticContact CD1-CE2 3.9Å; F296-F298 HydrophobicContact CD1-CE2 3.9Å; F296-F298 HydrophobicContact CD1-CG 4.32Å; F296-F298 AromaticContact CD1-CZ 3.96Å; F296-F298 HydrophobicContact CD1-CZ 3.96Å; F296-F298 AromaticContact CE1-CD1 3.71Å; F296-F298 HydrophobicContact CE1-CD1 3.71Å; F296-F298 HydrophobicContact CE1-CD2 4.2Å; F296-F298 AromaticContact CE1-CE1 3.66Å; F296-F298 HydrophobicContact CE1-CE1 3.66Å; F296-F298 HydrophobicContact CE1-CE2 4.16Å; F296-F298 AromaticContact CE1-CG 3.97Å; F296-F298 HydrophobicContact CE1-CG 3.97Å; F296-F298 AromaticContact CE1-CZ 3.9Å; F296-F298 HydrophobicContact CE1-CZ 3.9Å
297	R	98.6	Very high	98.7	Very high	198 Å²	198	70.5 Å²	70.5	75%	0.747	35%	0.346	S	S	*	.			trans	-104.7	119.4	179.5	-59.5	-58.4	177.8	172.1	-4.9	109.3	D295	D295-R297 PolarHBondContact O-N 3.03Å
298	F	98.8	Very high	98.7	Very high	30 Å²	30	67.1 Å²	67.1	13%	0.132	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-72	151.2	171.3	-68.9	-86.6	0	0	0	110.4	I218 D222 L226 S243 V244 L289 F296	I218-F298 HydrophobicContact CD1-CE1 3.87Å; I218-F298 HydrophobicContact CG1-CD1 4.47Å; I218-F298 HydrophobicContact CG1-CE1 4.21Å; D222-F298 HydrophobicContact CB-CD1 4Å; L226-F298 HydrophobicContact CD1-CE1 3.85Å; L226-F298 HydrophobicContact CD1-CZ 4.06Å; S243-F298 VanDerWaalsContact O-CZ 3.25Å; S243-F298 WeakPolarHBondContact O-CZ 3.22Å; V244-F298 HydrophobicContact CG1-CB 4.2Å; V244-F298 HydrophobicContact CG1-CD1 3.93Å; V244-F298 HydrophobicContact CG1-CD2 4.17Å; V244-F298 HydrophobicContact CG1-CE1 4.36Å; V244-F298 HydrophobicContact CG1-CG 3.83Å; L289-F298 HydrophobicContact CD2-CZ 3.99Å; F296-F298 HydrophobicContact CD1-CD1 4.38Å; F296-F298 HydrophobicContact CD1-CD2 4.09Å; F296-F298 HydrophobicContact CD1-CE1 4.21Å; F296-F298 AromaticContact CD1-CE2 3.9Å; F296-F298 HydrophobicContact CD1-CE2 3.9Å; F296-F298 HydrophobicContact CD1-CG 4.32Å; F296-F298 AromaticContact CD1-CZ 3.96Å; F296-F298 HydrophobicContact CD1-CZ 3.96Å; F296-F298 AromaticContact CE1-CD1 3.71Å; F296-F298 HydrophobicContact CE1-CD1 3.71Å; F296-F298 HydrophobicContact CE1-CD2 4.2Å; F296-F298 AromaticContact CE1-CE1 3.66Å; F296-F298 HydrophobicContact CE1-CE1 3.66Å; F296-F298 HydrophobicContact CE1-CE2 4.16Å; F296-F298 AromaticContact CE1-CG 3.97Å; F296-F298 HydrophobicContact CE1-CG 3.97Å; F296-F298 AromaticContact CE1-CZ 3.9Å; F296-F298 HydrophobicContact CE1-CZ 3.9Å
299	T	98.8	Very high	98.7	Very high	36 Å²	36	65.8 Å²	65.8	22%	0.221	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-63.1	131.1	170.4	-59.4	0	0	0	0	108.9	Y219 D222 F301 Q303 A304	Y219-T299 HydrophobicContact CD1-CG2 4.26Å; D222-T299 PolarHBondContact OD1-N 3.28Å; D222-T299 PolarHBondContact OD1-OG1 3.2Å; D222-T299 WeakPolarHBondContact OD2-CB 3.41Å; D222-T299 PolarHBondContact OD2-N 3.23Å; D222-T299 PolarHBondContact OD2-OG1 2.96Å; T299-F301 PolarHBondContact O-N 3.31Å; T299-Q303 HydrophobicContact CG2-CB 4.35Å; T299-Q303 HydrophobicContact CG2-CG 4.2Å; T299-A304 HydrophobicContact CG2-CB 3.92Å
300	P	98.7	Very high	98.7	Very high	80 Å²	80	68 Å²	68	52%	0.519	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-54.6	132.9	177.6	-26.4	34.5	0	0	0	111.9	K302 Q303 A304	P300-K302 PolarHBondContact O-N 3.09Å; P300-Q303 HydrophobicContact CB-CB 4.21Å; P300-Q303 WeakPolarHBondContact O-CA 3.45Å; P300-Q303 WeakPolarHBondContact O-CB 3.26Å; P300-Q303 PolarHBondContact O-N 2.96Å; P300-A304 PolarHBondContact O-N 3.2Å
301	F	98.7	Very high	98.7	Very high	48 Å²	48	66.8 Å²	66.8	21%	0.211	33%	0.33	C	S	.	.	H	α-helix	trans	-51.7	-48.8	-172.3	175	-111.3	0	0	0	113.4	F174 L188 F217 V250 A255 A258 T299 Q303 A304 V305	F174-F301 HydrophobicContact CE1-CD2 4.2Å; F174-F301 HydrophobicContact CE1-CE2 4.18Å; F174-F301 HydrophobicContact CZ-CD2 4.09Å; F174-F301 HydrophobicContact CZ-CE2 4.15Å; L188-F301 HydrophobicContact CD2-CE2 4.08Å; L188-F301 HydrophobicContact CD2-CZ 4.39Å; F217-F301 HydrophobicContact CB-CD2 4.09Å; F217-F301 HydrophobicContact CB-CE2 3.79Å; F217-F301 AromaticContact CD2-CE2 3.87Å; F217-F301 HydrophobicContact CD2-CE2 3.87Å; F217-F301 HydrophobicContact CD2-CZ 4.23Å; F217-F301 AromaticContact CG-CE2 3.92Å; F217-F301 HydrophobicContact CG-CE2 3.92Å; V250-F301 HydrophobicContact CG2-CE1 4.2Å; V250-F301 HydrophobicContact CG2-CZ 4.14Å; A255-F301 HydrophobicContact CB-CZ 4.1Å; A258-F301 HydrophobicContact CB-CD1 4.42Å; A258-F301 HydrophobicContact CB-CE1 3.78Å; T299-F301 PolarHBondContact O-N 3.31Å; F301-Q303 VanDerWaalsContact C-N 3.3Å; F301-Q303 PolarHBondContact O-N 2.84Å; F301-A304 PolarHBondContact O-N 2.62Å; F301-V305 HydrophobicContact CD1-CG2 4.41Å; F301-V305 HydrophobicContact CD2-CG2 4.07Å; F301-V305 HydrophobicContact CE1-CG2 4.01Å; F301-V305 HydrophobicContact CE2-CG2 3.63Å; F301-V305 HydrophobicContact CG-CG2 4.44Å; F301-V305 HydrophobicContact CZ-CG2 3.59Å; F301-V305 VanDerWaalsContact O-CG2 3.31Å; F301-V305 WeakPolarHBondContact O-CG2 3.42Å; F301-V305 PolarHBondContact O-N 2.69Å
302	K	98.6	Very high	98.7	Very high	121 Å²	121	61.3 Å²	61.3	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-36.6	178.6	-69.8	-167.9	174.4	-157.6	0	113	A258 E261 P300 K306	A258-K302 HydrophobicContact CB-CG 4.46Å; E261-K302 IonicContact OE1-NZ 3.95Å; E261-K302 IonicContact OE2-NZ 3.57Å; E261-K302 PolarHBondContact OE2-NZ 3.33Å; P300-K302 PolarHBondContact O-N 3.09Å; K302-K306 WeakPolarHBondContact O-CB 3.26Å; K302-K306 PolarHBondContact O-N 3.35Å
303	Q	98.8	Very high	98.7	Very high	99 Å²	99	60 Å²	60	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-50.5	176.3	176.9	-177.6	-13.6	0	0	110.4	T299 P300 F301 V305 K306 E307	T299-Q303 HydrophobicContact CG2-CB 4.35Å; T299-Q303 HydrophobicContact CG2-CG 4.2Å; P300-Q303 HydrophobicContact CB-CB 4.21Å; P300-Q303 WeakPolarHBondContact O-CA 3.45Å; P300-Q303 WeakPolarHBondContact O-CB 3.26Å; P300-Q303 PolarHBondContact O-N 2.96Å; F301-Q303 VanDerWaalsContact C-N 3.3Å; F301-Q303 PolarHBondContact O-N 2.84Å; Q303-V305 VanDerWaalsContact C-N 3.3Å; Q303-V305 PolarHBondContact O-N 2.91Å; Q303-K306 WeakPolarHBondContact O-CB 3.42Å; Q303-K306 PolarHBondContact O-N 3.08Å; Q303-K306 VanDerWaalsContact O-N 3.1Å; Q303-E307 VanDerWaalsContact CG-OE1 3.24Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.37Å; Q303-E307 PolarHBondContact NE2-OE1 2.86Å; Q303-E307 WeakPolarHBondContact O-CG 3.49Å; Q303-E307 PolarHBondContact O-N 3.11Å
304	A	98.8	Very high	98.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-39.2	178.1	0	0	0	0	0	112.3	F174 Y219 T299 P300 F301 T308	F174-A304 HydrophobicContact CE2-CB 3.87Å; F174-A304 HydrophobicContact CZ-CB 3.51Å; Y219-A304 HydrophobicContact CD1-CB 3.89Å; Y219-A304 HydrophobicContact CD2-CB 3.74Å; Y219-A304 HydrophobicContact CE1-CB 4.36Å; Y219-A304 HydrophobicContact CE2-CB 4.25Å; Y219-A304 HydrophobicContact CG-CB 3.56Å; T299-A304 HydrophobicContact CG2-CB 3.92Å; P300-A304 PolarHBondContact O-N 3.2Å; F301-A304 PolarHBondContact O-N 2.62Å; A304-T308 WeakPolarHBondContact O-CB 3.34Å; A304-T308 PolarHBondContact O-N 2.94Å; A304-T308 PolarHBondContact O-OG1 3.13Å
305	V	98.8	Very high	98.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173.5	170.3	0	0	0	0	110.5	F174 L188 A258 V259 A262 F301 Q303 T308 C309	F174-V305 HydrophobicContact CE2-CG2 3.9Å; F174-V305 HydrophobicContact CZ-CG2 4.08Å; L188-V305 HydrophobicContact CD2-CG2 4.27Å; A258-V305 HydrophobicContact CB-CG1 4.28Å; A258-V305 HydrophobicContact CB-CG2 4.48Å; V259-V305 HydrophobicContact CG2-CG1 3.87Å; A262-V305 HydrophobicContact CB-CG1 4.08Å; F301-V305 HydrophobicContact CD1-CG2 4.41Å; F301-V305 HydrophobicContact CD2-CG2 4.07Å; F301-V305 HydrophobicContact CE1-CG2 4.01Å; F301-V305 HydrophobicContact CE2-CG2 3.63Å; F301-V305 HydrophobicContact CG-CG2 4.44Å; F301-V305 HydrophobicContact CZ-CG2 3.59Å; F301-V305 VanDerWaalsContact O-CG2 3.31Å; F301-V305 WeakPolarHBondContact O-CG2 3.42Å; F301-V305 PolarHBondContact O-N 2.69Å; Q303-V305 VanDerWaalsContact C-N 3.3Å; Q303-V305 PolarHBondContact O-N 2.91Å; V305-T308 PolarHBondContact O-N 3.06Å; V305-C309 WeakPolarHBondContact O-CB 3.35Å; V305-C309 PolarHBondContact O-N 3.47Å; V305-C309 PolarHBondContact O-SG 2.87Å
306	K	98.8	Very high	98.6	Very high	137 Å²	137	59.1 Å²	59.1	60%	0.596	29%	0.287	S	S	*	.	H	α-helix	trans	-59.8	-47.4	178.4	-174	177.5	-178.6	176.4	0	112.5	A262 K302 Q303 T308 C309 A310	A262-K306 HydrophobicContact CB-CB 4.18Å; A262-K306 HydrophobicContact CB-CG 4.49Å; K302-K306 WeakPolarHBondContact O-CB 3.26Å; K302-K306 PolarHBondContact O-N 3.35Å; Q303-K306 WeakPolarHBondContact O-CB 3.42Å; Q303-K306 PolarHBondContact O-N 3.08Å; Q303-K306 VanDerWaalsContact O-N 3.1Å; K306-T308 VanDerWaalsContact C-N 3.3Å; K306-T308 PolarHBondContact O-N 3.14Å; K306-C309 PolarHBondContact O-N 3.43Å; K306-A310 WeakPolarHBondContact O-CB 3.15Å; K306-A310 PolarHBondContact O-N 3.45Å
307	E	98.8	Very high	98.5	Very high	74 Å²	74	64.2 Å²	64.2	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-39.4	177.1	-70.3	172.3	-166.1	0	0	111.8	Y219 Q303 W311	Y219-E307 PolarHBondContact OH-OE2 2.73Å; Q303-E307 VanDerWaalsContact CG-OE1 3.24Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.37Å; Q303-E307 PolarHBondContact NE2-OE1 2.86Å; Q303-E307 WeakPolarHBondContact O-CG 3.49Å; Q303-E307 PolarHBondContact O-N 3.11Å; E307-W311 WeakPolarHBondContact O-CB 3.43Å; E307-W311 PolarHBondContact O-N 2.85Å
308	T	98.8	Very high	98.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-41.4	176.9	-53.7	0	0	0	0	112.1	F174 G175 F180 I192 Y219 A304 V305 K306 W311 F312	F174-T308 HydrophobicContact CD2-CG2 4.42Å; G175-T308 WeakPolarHBondContact CA-OG1 3.46Å; F180-T308 HydrophobicContact CE1-CG2 4.43Å; F180-T308 HydrophobicContact CZ-CG2 4.22Å; I192-T308 HydrophobicContact CD1-CG2 3.79Å; Y219-T308 WeakPolarHBondContact CE2-OG1 3.38Å; A304-T308 WeakPolarHBondContact O-CB 3.34Å; A304-T308 PolarHBondContact O-N 2.94Å; A304-T308 PolarHBondContact O-OG1 3.13Å; V305-T308 PolarHBondContact O-N 3.06Å; K306-T308 VanDerWaalsContact C-N 3.3Å; K306-T308 PolarHBondContact O-N 3.14Å; T308-W311 PolarHBondContact O-N 2.9Å; T308-F312 WeakPolarHBondContact O-CB 3.39Å; T308-F312 PolarHBondContact O-N 2.83Å
309	C	98.7	Very high	98.1	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-41.8	176.3	-67.6	0	0	0	0	111.9	A262 M263 V305 K306 F312 T313	A262-C309 HydrophobicContact CB-CB 4.19Å; M263-C309 HydrophobicContact CG-CB 3.76Å; M263-C309 HydrophobicContact SD-CB 4.39Å; V305-C309 WeakPolarHBondContact O-CB 3.35Å; V305-C309 PolarHBondContact O-N 3.47Å; V305-C309 PolarHBondContact O-SG 2.87Å; K306-C309 PolarHBondContact O-N 3.43Å; C309-F312 PolarHBondContact O-N 3.33Å; C309-T313 PolarHBondContact O-N 3.43Å; C309-T313 PolarHBondContact O-OG1 3Å
310	A	98.7	Very high	97.9	Very high	47 Å²	47	64.8 Å²	64.8	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-51.8	174.3	0	0	0	0	0	110.4	K306 F312 T313 D314	K306-A310 WeakPolarHBondContact O-CB 3.15Å; K306-A310 PolarHBondContact O-N 3.45Å; A310-F312 VanDerWaalsContact C-N 3.3Å; A310-F312 PolarHBondContact O-N 2.95Å; A310-T313 PolarHBondContact O-N 3.02Å; A310-T313 VanDerWaalsContact O-N 3.11Å; A310-D314 VanDerWaalsContact O-CG 3.29Å; A310-D314 PolarHBondContact O-N 2.9Å
311	W	98.8	Very high	97.5	Very high	44 Å²	44	65.4 Å²	65.4	17%	0.167	31%	0.311	C	S	.	.	H	α-helix	trans	-55.3	-44.6	176.8	-178.2	89.1	0	0	0	112.5	P176 H177 F180 E307 T308 T313 D314 N315 A319	P176-W311 HydrophobicContact CB-CB 4.43Å; P176-W311 HydrophobicContact CB-CD2 3.65Å; P176-W311 HydrophobicContact CB-CE3 4.26Å; P176-W311 HydrophobicContact CB-CG 3.68Å; P176-W311 HydrophobicContact CG-CB 4.14Å; P176-W311 HydrophobicContact CG-CD2 4.33Å; P176-W311 HydrophobicContact CG-CG 3.89Å; H177-W311 HydrophobicContact CB-CH2 4.48Å; H177-W311 AromaticContact CE1-CZ2 3.47Å; H177-W311 VanDerWaalsContact CE1-CZ2 3.47Å; H177-W311 WeakPolarHBondContact CE1-CZ2 3.24Å; H177-W311 AromaticContact CG-CZ2 3.78Å; H177-W311 VanDerWaalsContact N-CH2 3.25Å; H177-W311 VanDerWaalsContact N-CZ3 3.33Å; H177-W311 AromaticContact ND1-CH2 3.89Å; H177-W311 AromaticContact ND1-CZ2 3.35Å; H177-W311 WeakPolarHBondContact ND1-CZ2 3.19Å; H177-W311 AromaticContact NE2-CZ2 3.97Å; F180-W311 HydrophobicContact CE2-CE3 4.29Å; F180-W311 AromaticContact CE2-CZ3 3.7Å; F180-W311 HydrophobicContact CE2-CZ3 3.7Å; F180-W311 HydrophobicContact CZ-CE3 4.31Å; F180-W311 HydrophobicContact CZ-CZ3 4.17Å; E307-W311 WeakPolarHBondContact O-CB 3.43Å; E307-W311 PolarHBondContact O-N 2.85Å; T308-W311 PolarHBondContact O-N 2.9Å; W311-T313 VanDerWaalsContact C-N 3.34Å; W311-T313 PolarHBondContact O-N 3.33Å; W311-D314 PolarHBondContact O-N 3.48Å; W311-N315 HydrophobicContact CD2-CB 4.45Å; W311-N315 HydrophobicContact CH2-CB 4.28Å; W311-N315 HydrophobicContact CZ2-CB 4Å; W311-N315 VanDerWaalsContact O-CB 3.32Å; W311-N315 WeakPolarHBondContact O-CB 3.42Å; W311-N315 PolarHBondContact O-N 2.84Å; W311-N315 PolarHBondContact O-ND2 2.99Å; W311-A319 HydrophobicContact CH2-CB 4.21Å; W311-A319 HydrophobicContact CZ3-CB 4.09Å
312	F	98.6	Very high	97.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-40.5	179.6	-179.3	-107.6	0	0	0	112.3	F180 I192 H193 H196 T308 C309 A310 N315 Y316 A319	F180-F312 HydrophobicContact CB-CD2 4.12Å; F180-F312 HydrophobicContact CB-CE2 3.45Å; F180-F312 VanDerWaalsContact CB-CE2 3.45Å; F180-F312 HydrophobicContact CB-CZ 4.06Å; F180-F312 AromaticContact CD1-CD2 3.43Å; F180-F312 HydrophobicContact CD1-CD2 3.43Å; F180-F312 VanDerWaalsContact CD1-CD2 3.43Å; F180-F312 AromaticContact CD1-CE2 3.61Å; F180-F312 HydrophobicContact CD1-CE2 3.61Å; F180-F312 AromaticContact CD1-CG 3.98Å; F180-F312 HydrophobicContact CD1-CG 3.98Å; F180-F312 HydrophobicContact CD1-CZ 4.27Å; F180-F312 AromaticContact CD2-CD2 3.69Å; F180-F312 HydrophobicContact CD2-CD2 3.69Å; F180-F312 AromaticContact CD2-CE2 3.84Å; F180-F312 HydrophobicContact CD2-CE2 3.84Å; F180-F312 HydrophobicContact CE1-CB 4.06Å; F180-F312 AromaticContact CE1-CD2 3.65Å; F180-F312 HydrophobicContact CE1-CD2 3.65Å; F180-F312 HydrophobicContact CE1-CE2 4.31Å; F180-F312 AromaticContact CE1-CG 3.95Å; F180-F312 HydrophobicContact CE1-CG 3.95Å; F180-F312 AromaticContact CE2-CD2 3.91Å; F180-F312 HydrophobicContact CE2-CD2 3.91Å; F180-F312 AromaticContact CG-CD2 3.46Å; F180-F312 HydrophobicContact CG-CD2 3.46Å; F180-F312 VanDerWaalsContact CG-CD2 3.46Å; F180-F312 AromaticContact CG-CE2 3.35Å; F180-F312 HydrophobicContact CG-CE2 3.35Å; F180-F312 HydrophobicContact CG-CG 4.45Å; F180-F312 HydrophobicContact CG-CZ 4.24Å; F180-F312 HydrophobicContact CZ-CB 4.24Å; F180-F312 AromaticContact CZ-CD2 3.9Å; F180-F312 HydrophobicContact CZ-CD2 3.9Å; F180-F312 HydrophobicContact CZ-CG 4.38Å; I192-F312 HydrophobicContact CG2-CB 3.97Å; I192-F312 HydrophobicContact CG2-CD1 3.57Å; I192-F312 HydrophobicContact CG2-CE1 4.22Å; I192-F312 HydrophobicContact CG2-CG 3.85Å; H193-F312 HydrophobicContact CB-CE1 4.32Å; H193-F312 HydrophobicContact CB-CZ 3.94Å; H193-F312 AromaticContact CD2-CZ 3.75Å; H193-F312 AromaticContact CG-CZ 3.83Å; H196-F312 HydrophobicContact CB-CD1 4.4Å; H196-F312 HydrophobicContact CB-CE1 3.79Å; H196-F312 AromaticContact CG-CE1 3.89Å; T308-F312 WeakPolarHBondContact O-CB 3.39Å; T308-F312 PolarHBondContact O-N 2.83Å; C309-F312 PolarHBondContact O-N 3.33Å; A310-F312 VanDerWaalsContact C-N 3.3Å; A310-F312 PolarHBondContact O-N 2.95Å; F312-N315 CarbonylContact O-C 3.56Å; F312-Y316 HydrophobicContact CD1-CD2 4.36Å; F312-Y316 AromaticContact CE1-CD2 3.62Å; F312-Y316 HydrophobicContact CE1-CD2 3.62Å; F312-Y316 AromaticContact CE1-CE2 3.8Å; F312-Y316 HydrophobicContact CE1-CE2 3.8Å; F312-Y316 HydrophobicContact CE2-CD2 4.03Å; F312-Y316 HydrophobicContact CE2-CE2 4.33Å; F312-Y316 AromaticContact CZ-CD2 3.45Å; F312-Y316 HydrophobicContact CZ-CD2 3.45Å; F312-Y316 VanDerWaalsContact CZ-CD2 3.45Å; F312-Y316 AromaticContact CZ-CE2 3.47Å; F312-Y316 HydrophobicContact CZ-CE2 3.47Å; F312-Y316 VanDerWaalsContact CZ-CE2 3.47Å; F312-Y316 VanDerWaalsContact O-CA 3.28Å; F312-Y316 WeakPolarHBondContact O-CA 3.44Å; F312-Y316 PolarHBondContact O-N 3.39Å; F312-A319 HydrophobicContact CD2-CB 3.93Å; F312-A319 HydrophobicContact CE2-CB 3.89Å
313	T	97.8	Very high	97.4	Very high	67 Å²	67	63.4 Å²	63.4	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-45.4	177.9	-56.1	0	0	0	0	110.9	C309 A310 W311 N315	C309-T313 PolarHBondContact O-N 3.43Å; C309-T313 PolarHBondContact O-OG1 3Å; A310-T313 PolarHBondContact O-N 3.02Å; A310-T313 VanDerWaalsContact O-N 3.11Å; W311-T313 VanDerWaalsContact C-N 3.34Å; W311-T313 PolarHBondContact O-N 3.33Å; T313-N315 VanDerWaalsContact C-N 3.25Å; T313-N315 PolarHBondContact O-N 3.43Å
314	D	98.4	Very high	97.3	Very high	128 Å²	128	61.4 Å²	61.4	68%	0.684	30%	0.296	S	S	*	.	H	α-helix	trans	-70	-22	-178.2	-65	-16.6	0	0	0	113	A310 W311	A310-D314 VanDerWaalsContact O-CG 3.29Å; A310-D314 PolarHBondContact O-N 2.9Å; W311-D314 PolarHBondContact O-N 3.48Å
315	N	98.2	Very high	97.2	Very high	51 Å²	51	65 Å²	65	27%	0.273	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	24.7	-174	-59.8	-94.6	0	0	0	112.9	W311 F312 T313 E317 Q318 A319	W311-N315 HydrophobicContact CD2-CB 4.45Å; W311-N315 HydrophobicContact CH2-CB 4.28Å; W311-N315 HydrophobicContact CZ2-CB 4Å; W311-N315 VanDerWaalsContact O-CB 3.32Å; W311-N315 WeakPolarHBondContact O-CB 3.42Å; W311-N315 PolarHBondContact O-N 2.84Å; W311-N315 PolarHBondContact O-ND2 2.99Å; F312-N315 CarbonylContact O-C 3.56Å; T313-N315 VanDerWaalsContact C-N 3.25Å; T313-N315 PolarHBondContact O-N 3.43Å; N315-E317 PolarHBondContact O-N 3.47Å; N315-E317 VanDerWaalsContact O-N 3.13Å; N315-Q318 PolarHBondContact O-N 2.94Å; N315-Q318 PolarHBondContact O-OE1 3.48Å; N315-A319 WeakPolarHBondContact O-CB 3.45Å; N315-A319 PolarHBondContact O-N 3.12Å
316	Y	97.3	Very high	97.1	Very high	45 Å²	45	69.1 Å²	69.1	18%	0.176	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.7	-171.1	-176.5	-105.5	0	0	0	114.2	H193 H196 F312 K321	H193-Y316 AromaticContact CD2-CE2 3.9Å; H193-Y316 AromaticContact NE2-CE2 3.72Å; H193-Y316 AromaticContact NE2-CZ 3.87Å; H193-Y316 PolarHBondContact NE2-OH 3.45Å; H193-Y316 VanDerWaalsContact NE2-OH 3.1Å; H196-Y316 AromaticContact CD2-CD2 3.9Å; H196-Y316 AromaticContact CD2-CE2 3.52Å; H196-Y316 AromaticContact CD2-CZ 3.89Å; H196-Y316 AromaticContact CE1-CD2 4Å; H196-Y316 AromaticContact NE2-CD2 3.65Å; H196-Y316 AromaticContact NE2-CE2 3.65Å; H196-Y316 AromaticContact NE2-CG 3.88Å; H196-Y316 AromaticContact NE2-CZ 3.88Å; F312-Y316 HydrophobicContact CD1-CD2 4.36Å; F312-Y316 AromaticContact CE1-CD2 3.62Å; F312-Y316 HydrophobicContact CE1-CD2 3.62Å; F312-Y316 AromaticContact CE1-CE2 3.8Å; F312-Y316 HydrophobicContact CE1-CE2 3.8Å; F312-Y316 HydrophobicContact CE2-CD2 4.03Å; F312-Y316 HydrophobicContact CE2-CE2 4.33Å; F312-Y316 AromaticContact CZ-CD2 3.45Å; F312-Y316 HydrophobicContact CZ-CD2 3.45Å; F312-Y316 VanDerWaalsContact CZ-CD2 3.45Å; F312-Y316 AromaticContact CZ-CE2 3.47Å; F312-Y316 HydrophobicContact CZ-CE2 3.47Å; F312-Y316 VanDerWaalsContact CZ-CE2 3.47Å; F312-Y316 VanDerWaalsContact O-CA 3.28Å; F312-Y316 WeakPolarHBondContact O-CA 3.44Å; F312-Y316 PolarHBondContact O-N 3.39Å; Y316-K321 HydrophobicContact CE1-CD 4.17Å; Y316-K321 HydrophobicContact CE2-CD 4.05Å; Y316-K321 PolarHBondContact O-NZ 2.98Å
317	E	96.7	Very high	97	Very high	140 Å²	140	64.5 Å²	64.5	65%	0.654	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-29.7	179.7	-66.9	-50.8	138.7	0	0	113.3	N315 K321	N315-E317 PolarHBondContact O-N 3.47Å; N315-E317 VanDerWaalsContact O-N 3.13Å; E317-K321 IonicContact OE1-NZ 2.73Å; E317-K321 IonicContact OE2-NZ 3.13Å
318	Q	95.2	Very high	96.9	Very high	143 Å²	143	63.9 Å²	63.9	67%	0.668	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-16	-179.6	-56.1	80.7	10	0	0	112.5	N315	N315-Q318 PolarHBondContact O-N 2.94Å; N315-Q318 PolarHBondContact O-OE1 3.48Å
319	A	95.4	Very high	96.7	Very high	9 Å²	9	68.7 Å²	68.7	7%	0.074	34%	0.337	C	S	.	.	S	Bend	trans	-63.6	144.6	177.3	0	0	0	0	0	111.5	F180 W311 F312 N315 K321	F180-A319 HydrophobicContact CD2-CB 4.44Å; W311-A319 HydrophobicContact CH2-CB 4.21Å; W311-A319 HydrophobicContact CZ3-CB 4.09Å; F312-A319 HydrophobicContact CD2-CB 3.93Å; F312-A319 HydrophobicContact CE2-CB 3.89Å; N315-A319 WeakPolarHBondContact O-CB 3.45Å; N315-A319 PolarHBondContact O-N 3.12Å; A319-K321 PolarHBondContact O-N 2.87Å
320	R	92.8	Very high	96.5	Very high	124 Å²	124	74.3 Å²	74.3	47%	0.468	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-73.7	113	173.9	-64.6	166.5	60.6	-157	-0.8	107.9	F180	F180-R320 WeakPolarHBondContact CA-O 3.4Å; F180-R320 WeakPolarHBondContact CB-O 3.19Å; F180-R320 PolarHBondContact N-O 3.38Å
321	K	90.7	Very high	96.3	Very high	93 Å²	93	76.7 Å²	76.7	40%	0.404	36%	0.362	S	S	.	.			trans	-134.2	0	-173.9	64.8	-171.6	-176.1	-158.9	0	111.7	N181 Y316 E317 A319	N181-K321 WeakPolarHBondContact CA-OXT 3.35Å; N181-K321 VanDerWaalsContact CB-OXT 3.28Å; N181-K321 WeakPolarHBondContact CB-OXT 3.37Å; N181-K321 PolarHBondContact ND2-OXT 3.33Å; Y316-K321 HydrophobicContact CE1-CD 4.17Å; Y316-K321 HydrophobicContact CE2-CD 4.05Å; Y316-K321 PolarHBondContact O-NZ 2.98Å; E317-K321 IonicContact OE1-NZ 2.73Å; E317-K321 IonicContact OE2-NZ 3.13Å; A319-K321 PolarHBondContact O-N 2.87Å

Retrieved 321 of 321 residues in 625.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).