A0A096N8F9_PAPAN Loading...

Thioredoxin-related transmembrane protein 2

Endoplasmic reticulum and mitochondria-associated protein that probably functions as a regulator of cellular redox state and thereby regulates protein post-translational modification, protein folding and mitochondrial activity. Indirectly regulates neuronal proliferation, migration, and organization in the developing brain.

AlphaFold DB (A0A1D5Q7I0), UniProt , Accession A0A096N8F9, Species PAPAN (Papio anubis, Olive baboon), Gene TMX2, Length 296 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.3	Low	59.8	Low	197 Å²	197	97.1 Å²	97.1	97%	0.97	58%	0.584	S	S	*	*				0	-36.6	0	-64.6	-58.3	-96.6	0	0	113.7	V3 A5	M1-V3 PolarHBondContact O-N 3.48Å; M1-A5 PolarHBondContact O-N 3.5Å
2	A	56.8	Low	60.1	Low	90 Å²	90	105.1 Å²	105.1	74%	0.744	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-24.7	-178.1	0	0	0	0	0	116.1	P6	A2-P6 WeakPolarHBondContact O-CD 3.23Å
3	V	56.9	Low	60.1	Low	108 Å²	108	100.9 Å²	100.9	66%	0.655	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-25.2	179.8	-172.5	0	0	0	0	112.3	M1 P6 L7	M1-V3 PolarHBondContact O-N 3.48Å; V3-P6 WeakPolarHBondContact O-CD 3.41Å; V3-P6 WeakPolarHBondContact O-CG 3.47Å; V3-L7 HydrophobicContact CG1-CD1 4.22Å
4	L	58	Low	60.1	Low	100 Å²	100	98.8 Å²	98.8	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-74.3	-36.7	178.9	-90.2	142.6	0	0	0	112.1	L7 I8	L4-L7 PolarHBondContact O-N 3.43Å; L4-I8 HydrophobicContact CB-CD1 4.23Å; L4-I8 HydrophobicContact CD2-CD1 4.2Å; L4-I8 WeakPolarHBondContact O-CB 3.39Å; L4-I8 WeakPolarHBondContact O-CD1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.24Å; L4-I8 PolarHBondContact O-N 3.33Å
5	A	62.9	Low	59.9	Low	62 Å²	62	97 Å²	97	51%	0.512	56%	0.562	S	S	.	*	H	α-helix	trans	-58.4	-48.5	177.8	0	0	0	0	0	114.1	M1 I8 A9	M1-A5 PolarHBondContact O-N 3.5Å; A5-I8 PolarHBondContact O-N 3.15Å; A5-A9 VanDerWaalsContact O-CB 3.3Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.91Å
6	P	62.5	Low	59.7	Low	77 Å²	77	102 Å²	102	50%	0.5	57%	0.569	S	S	.	*	H	α-helix	trans	-69.6	-32.3	176.4	24	-31.9	0	0	0	112.9	A2 V3 L10	A2-P6 WeakPolarHBondContact O-CD 3.23Å; V3-P6 WeakPolarHBondContact O-CD 3.41Å; V3-P6 WeakPolarHBondContact O-CG 3.47Å; P6-L10 VanDerWaalsContact O-CB 3.28Å; P6-L10 WeakPolarHBondContact O-CB 3.21Å; P6-L10 PolarHBondContact O-N 3.43Å
7	L	61.6	Low	59.7	Low	95 Å²	95	101.2 Å²	101.2	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-69.3	-40.4	174.9	-83.9	165.3	0	0	0	112.3	V3 L4 L10 V11	V3-L7 HydrophobicContact CG1-CD1 4.22Å; L4-L7 PolarHBondContact O-N 3.43Å; L7-L10 WeakPolarHBondContact O-CB 3.19Å; L7-L10 PolarHBondContact O-N 3.46Å; L7-V11 WeakPolarHBondContact O-CB 3.41Å; L7-V11 VanDerWaalsContact O-CG2 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.19Å
8	I	63.6	Low	59.5	Low	86 Å²	86	98.8 Å²	98.8	44%	0.441	55%	0.554	S	S	.	*	H	α-helix	trans	-68.4	-40	175.5	-66.8	164.3	0	0	0	109.9	L4 A5 L10 V11 Y12	L4-I8 HydrophobicContact CB-CD1 4.23Å; L4-I8 HydrophobicContact CD2-CD1 4.2Å; L4-I8 WeakPolarHBondContact O-CB 3.39Å; L4-I8 WeakPolarHBondContact O-CD1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.24Å; L4-I8 PolarHBondContact O-N 3.33Å; A5-I8 PolarHBondContact O-N 3.15Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.26Å; I8-V11 PolarHBondContact O-N 3.43Å; I8-Y12 HydrophobicContact CG2-CD2 3.82Å; I8-Y12 HydrophobicContact CG2-CE2 4.08Å; I8-Y12 WeakPolarHBondContact O-CB 3.3Å; I8-Y12 WeakPolarHBondContact O-CD2 3.44Å; I8-Y12 PolarHBondContact O-N 3.34Å
9	A	60.4	Low	59.4	Low	59 Å²	59	104.2 Å²	104.2	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-63.5	-38	172.6	0	0	0	0	0	112.5	A5 S13	A5-A9 VanDerWaalsContact O-CB 3.3Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.91Å; A9-S13 WeakPolarHBondContact O-CB 3.25Å; A9-S13 PolarHBondContact O-N 2.76Å; A9-S13 PolarHBondContact O-OG 3.38Å
10	L	62.4	Low	59.2	Low	100 Å²	100	102.1 Å²	102.1	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-49.9	172.5	-165	86.2	0	0	0	110.2	P6 L7 I8 Y12 S13 V14	P6-L10 VanDerWaalsContact O-CB 3.28Å; P6-L10 WeakPolarHBondContact O-CB 3.21Å; P6-L10 PolarHBondContact O-N 3.43Å; L7-L10 WeakPolarHBondContact O-CB 3.19Å; L7-L10 PolarHBondContact O-N 3.46Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.26Å; L10-Y12 PolarHBondContact O-N 2.7Å; L10-S13 WeakPolarHBondContact CA-OG 3.46Å; L10-S13 CarbonylContact O-C 3.54Å; L10-S13 PolarHBondContact O-N 3.22Å; L10-S13 PolarHBondContact O-OG 2.93Å; L10-V14 WeakPolarHBondContact O-CG2 3.1Å; L10-V14 PolarHBondContact O-N 2.93Å
11	V	62.8	Low	59	Low	94 Å²	94	102.2 Å²	102.2	57%	0.57	55%	0.548	S	S	*	.	H	α-helix	trans	-64.5	-38.6	-179.6	172.7	0	0	0	0	112.1	L7 I8 S13 V14 P15	L7-V11 WeakPolarHBondContact O-CB 3.41Å; L7-V11 VanDerWaalsContact O-CG2 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.19Å; I8-V11 PolarHBondContact O-N 3.43Å; V11-S13 VanDerWaalsContact C-N 3.27Å; V11-S13 PolarHBondContact O-N 3.03Å; V11-V14 WeakPolarHBondContact O-CB 3.47Å; V11-V14 PolarHBondContact O-N 3.46Å; V11-P15 WeakPolarHBondContact O-CD 3.43Å
12	Y	62.7	Low	59.2	Low	193 Å²	193	96.6 Å²	96.6	76%	0.757	53%	0.533	S	S	*	.	H	α-helix	trans	-68.7	-25	173.6	-96.9	-89.6	0	0	0	113.2	I8 L10 P15	I8-Y12 HydrophobicContact CG2-CD2 3.82Å; I8-Y12 HydrophobicContact CG2-CE2 4.08Å; I8-Y12 WeakPolarHBondContact O-CB 3.3Å; I8-Y12 WeakPolarHBondContact O-CD2 3.44Å; I8-Y12 PolarHBondContact O-N 3.34Å; L10-Y12 PolarHBondContact O-N 2.7Å; Y12-P15 WeakPolarHBondContact O-CD 3.15Å
13	S	60	Low	59.9	Low	51 Å²	51	95.3 Å²	95.3	36%	0.357	51%	0.512	S	S	.	.	H	α-helix	trans	-88	-13.1	174.4	52.9	0	0	0	0	113.6	A9 L10 V11 R16 L17	A9-S13 WeakPolarHBondContact O-CB 3.25Å; A9-S13 PolarHBondContact O-N 2.76Å; A9-S13 PolarHBondContact O-OG 3.38Å; L10-S13 WeakPolarHBondContact CA-OG 3.46Å; L10-S13 CarbonylContact O-C 3.54Å; L10-S13 PolarHBondContact O-N 3.22Å; L10-S13 PolarHBondContact O-OG 2.93Å; V11-S13 VanDerWaalsContact C-N 3.27Å; V11-S13 PolarHBondContact O-N 3.03Å; S13-R16 CarbonylContact O-C 3.57Å; S13-R16 WeakPolarHBondContact O-CA 3.38Å; S13-R16 WeakPolarHBondContact O-CB 3.19Å; S13-R16 PolarHBondContact O-N 3Å; S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 2.93Å
14	V	60.4	Low	61	Low	71 Å²	71	94.2 Å²	94.2	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-55.2	-41.6	176.8	167.5	0	0	0	0	114.1	L10 V11 R16 L17 S18	L10-V14 WeakPolarHBondContact O-CG2 3.1Å; L10-V14 PolarHBondContact O-N 2.93Å; V11-V14 WeakPolarHBondContact O-CB 3.47Å; V11-V14 PolarHBondContact O-N 3.46Å; V14-R16 VanDerWaalsContact C-N 3.28Å; V14-R16 PolarHBondContact O-N 2.94Å; V14-L17 PolarHBondContact O-N 3.48Å; V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.84Å; V14-S18 PolarHBondContact O-OG 2.77Å
15	P	56.9	Low	62.3	Low	72 Å²	72	91.5 Å²	91.5	47%	0.468	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-31.3	175.9	-19.8	31.5	0	0	0	112.8	V11 Y12 S18 R19	V11-P15 WeakPolarHBondContact O-CD 3.43Å; Y12-P15 WeakPolarHBondContact O-CD 3.15Å; P15-S18 WeakPolarHBondContact CA-OG 3.25Å; P15-S18 PolarHBondContact O-OG 2.92Å; P15-S18 VanDerWaalsContact O-OG 3.08Å; P15-R19 WeakPolarHBondContact O-CG 3.29Å; P15-R19 PolarHBondContact O-N 3.47Å
16	R	57.2	Low	63.5	Low	177 Å²	177	89.7 Å²	89.7	67%	0.668	47%	0.47	S	S	*	.	H	α-helix	trans	-76.4	-42.8	176.8	-137.9	175	-170.3	180	0.6	110.5	S13 V14 W20	S13-R16 CarbonylContact O-C 3.57Å; S13-R16 WeakPolarHBondContact O-CA 3.38Å; S13-R16 WeakPolarHBondContact O-CB 3.19Å; S13-R16 PolarHBondContact O-N 3Å; V14-R16 VanDerWaalsContact C-N 3.28Å; V14-R16 PolarHBondContact O-N 2.94Å; R16-W20 WeakPolarHBondContact O-CB 3.46Å; R16-W20 PolarHBondContact O-N 3.23Å; R16-W20 VanDerWaalsContact O-N 3.08Å
17	L	59.3	Low	64.7	Low	88 Å²	88	90.9 Å²	90.9	46%	0.461	47%	0.472	S	S	.	.	H	α-helix	trans	-68.5	-36.7	177.5	-169.7	68.3	0	0	0	112.4	S13 V14 W20 L21	S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 2.93Å; V14-L17 PolarHBondContact O-N 3.48Å; L17-W20 CarbonylContact O-C 3.51Å; L17-W20 WeakPolarHBondContact O-CB 3.26Å; L17-W20 PolarHBondContact O-N 3.39Å; L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.48Å
18	S	55.4	Low	66.1	Low	59 Å²	59	89.4 Å²	89.4	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-69.7	-39.2	176	55.2	0	0	0	0	112.3	V14 P15 W20 L21 A22	V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.84Å; V14-S18 PolarHBondContact O-OG 2.77Å; P15-S18 WeakPolarHBondContact CA-OG 3.25Å; P15-S18 PolarHBondContact O-OG 2.92Å; P15-S18 VanDerWaalsContact O-OG 3.08Å; S18-W20 VanDerWaalsContact C-N 3.26Å; S18-W20 PolarHBondContact O-N 3.5Å; S18-L21 PolarHBondContact O-N 2.95Å; S18-A22 WeakPolarHBondContact O-CB 3.24Å; S18-A22 PolarHBondContact O-N 2.97Å
19	R	58.7	Low	67.5	Low	201 Å²	201	85.3 Å²	85.3	76%	0.758	44%	0.443	S	S	*	.	H	α-helix	trans	-63.2	-34.7	169.8	-74.1	178.3	-173.2	169.5	3.2	112.3	P15	P15-R19 WeakPolarHBondContact O-CG 3.29Å; P15-R19 PolarHBondContact O-N 3.47Å
20	W	54.4	Low	69	Low	62 Å²	62	84.6 Å²	84.6	24%	0.235	44%	0.437	C	S	.	.	H	α-helix	trans	-71.5	-43.6	176.4	-160.8	86.7	0	0	0	111.8	R16 L17 S18 A22 Q23 Y26 I90	R16-W20 WeakPolarHBondContact O-CB 3.46Å; R16-W20 PolarHBondContact O-N 3.23Å; R16-W20 VanDerWaalsContact O-N 3.08Å; L17-W20 CarbonylContact O-C 3.51Å; L17-W20 WeakPolarHBondContact O-CB 3.26Å; L17-W20 PolarHBondContact O-N 3.39Å; S18-W20 VanDerWaalsContact C-N 3.26Å; S18-W20 PolarHBondContact O-N 3.5Å; W20-A22 VanDerWaalsContact C-N 3.34Å; W20-A22 PolarHBondContact O-N 3.36Å; W20-Q23 PolarHBondContact O-N 3.39Å; W20-Y26 HydrophobicContact CD2-CD2 4.02Å; W20-Y26 AromaticContact CD2-CE2 3.75Å; W20-Y26 HydrophobicContact CD2-CE2 3.75Å; W20-Y26 AromaticContact CE2-CE2 3.36Å; W20-Y26 AromaticContact CE2-CZ 3.39Å; W20-Y26 HydrophobicContact CE3-CD2 4.1Å; W20-Y26 HydrophobicContact CE3-CE2 4.26Å; W20-Y26 HydrophobicContact CE3-CG 4.38Å; W20-Y26 HydrophobicContact CG-CE2 4.21Å; W20-Y26 AromaticContact CH2-CD1 3.53Å; W20-Y26 HydrophobicContact CH2-CD1 3.53Å; W20-Y26 HydrophobicContact CH2-CD2 4.13Å; W20-Y26 AromaticContact CH2-CE1 3.47Å; W20-Y26 HydrophobicContact CH2-CE1 3.47Å; W20-Y26 VanDerWaalsContact CH2-CE1 3.47Å; W20-Y26 HydrophobicContact CH2-CE2 4.02Å; W20-Y26 AromaticContact CH2-CG 3.9Å; W20-Y26 HydrophobicContact CH2-CG 3.9Å; W20-Y26 AromaticContact CH2-CZ 3.73Å; W20-Y26 AromaticContact CZ2-CD1 3.87Å; W20-Y26 HydrophobicContact CZ2-CD1 3.87Å; W20-Y26 HydrophobicContact CZ2-CD2 4.12Å; W20-Y26 AromaticContact CZ2-CE1 3.31Å; W20-Y26 HydrophobicContact CZ2-CE1 3.31Å; W20-Y26 AromaticContact CZ2-CE2 3.55Å; W20-Y26 HydrophobicContact CZ2-CE2 3.55Å; W20-Y26 HydrophobicContact CZ2-CG 4.27Å; W20-Y26 AromaticContact CZ2-CZ 3.12Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.48Å; W20-Y26 HydrophobicContact CZ3-CD1 4.08Å; W20-Y26 HydrophobicContact CZ3-CD2 4.15Å; W20-Y26 HydrophobicContact CZ3-CE1 4.37Å; W20-Y26 HydrophobicContact CZ3-CE2 4.38Å; W20-Y26 AromaticContact CZ3-CG 3.99Å; W20-Y26 HydrophobicContact CZ3-CG 3.99Å; W20-Y26 AromaticContact NE1-CE2 3.59Å; W20-Y26 AromaticContact NE1-CZ 3.69Å; W20-Y26 PolarHBondContact NE1-OH 3.03Å; W20-Y26 WeakPolarHBondContact O-CD2 3.48Å; W20-I90 HydrophobicContact CH2-CD1 3.35Å; W20-I90 HydrophobicContact CH2-CG2 4.29Å; W20-I90 HydrophobicContact CZ2-CD1 4.08Å; W20-I90 HydrophobicContact CZ3-CD1 4.09Å
21	L	54.8	Low	70.5	Confident	104 Å²	104	84 Å²	84	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-68.9	-28.2	173.8	-76.4	165.6	0	0	0	113.4	L17 S18 Q23	L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.48Å; S18-L21 PolarHBondContact O-N 2.95Å; L21-Q23 PolarHBondContact O-N 3.14Å
22	A	54.7	Low	72	Confident	79 Å²	79	80.6 Å²	80.6	65%	0.653	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.9	176.5	0	0	0	0	0	113.2	S18 W20	S18-A22 WeakPolarHBondContact O-CB 3.24Å; S18-A22 PolarHBondContact O-N 2.97Å; W20-A22 VanDerWaalsContact C-N 3.34Å; W20-A22 PolarHBondContact O-N 3.36Å
23	Q	71.5	Confident	73.6	Confident	63 Å²	63	72.2 Å²	72.2	29%	0.294	38%	0.382	S	S	.	.	S	Bend	trans	-76.8	122.3	172	-70.9	-179.2	-32.5	0	0	109.7	W20 L21 Y25 Y26 P130	W20-Q23 PolarHBondContact O-N 3.39Å; L21-Q23 PolarHBondContact O-N 3.14Å; Q23-Y25 PolarHBondContact O-N 2.77Å; Q23-Y26 HydrophobicContact CB-CD2 4.16Å; Q23-Y26 PolarHBondContact O-N 3.44Å; Q23-P130 VanDerWaalsContact NE2-CB 3.31Å
24	P	80.5	Confident	75.2	Confident	85 Å²	85	71.3 Å²	71.3	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-59.4	-26.3	-175.1	24.2	-33.9	0	0	0	111.9	Y26 L28	P24-Y26 PolarHBondContact O-N 2.75Å; P24-L28 HydrophobicContact CB-CD1 4.21Å; P24-L28 WeakPolarHBondContact O-CB 3.47Å; P24-L28 WeakPolarHBondContact O-CD1 2.92Å; P24-L28 VanDerWaalsContact O-CG 3.24Å; P24-L28 WeakPolarHBondContact O-CG 3.45Å; P24-L28 PolarHBondContact O-N 2.8Å
25	Y	86.4	Confident	76.9	Confident	44 Å²	44	68.8 Å²	68.8	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-55.6	-49.7	178.4	177.1	-95.6	0	0	0	113.8	Q23 S29 F123 C127 P129	Q23-Y25 PolarHBondContact O-N 2.77Å; Y25-S29 WeakPolarHBondContact O-CB 3.4Å; Y25-S29 PolarHBondContact O-N 3.17Å; Y25-S29 PolarHBondContact O-OG 3.33Å; Y25-F123 HydrophobicContact CD2-CE1 4.16Å; Y25-F123 HydrophobicContact CD2-CE2 4.35Å; Y25-F123 AromaticContact CD2-CZ 3.49Å; Y25-F123 HydrophobicContact CD2-CZ 3.49Å; Y25-F123 VanDerWaalsContact CD2-CZ 3.49Å; Y25-F123 AromaticContact CE2-CE1 3.8Å; Y25-F123 HydrophobicContact CE2-CE1 3.8Å; Y25-F123 AromaticContact CE2-CZ 3.59Å; Y25-F123 HydrophobicContact CE2-CZ 3.59Å; Y25-F123 HydrophobicContact CG-CZ 4.29Å; Y25-C127 HydrophobicContact CD2-CB 4.17Å; Y25-P129 HydrophobicContact CE1-CB 4.16Å; Y25-P129 HydrophobicContact CE2-CB 4.08Å
26	Y	86.5	Confident	78.7	Confident	23 Å²	23	65.3 Å²	65.3	9%	0.09	34%	0.342	C	S	.	.	H	α-helix	trans	-73.2	-40.1	-175.5	-67.5	-67.9	0	0	0	111.4	W20 Q23 P24 S29 A30 I90 F94 P130	W20-Y26 HydrophobicContact CD2-CD2 4.02Å; W20-Y26 AromaticContact CD2-CE2 3.75Å; W20-Y26 HydrophobicContact CD2-CE2 3.75Å; W20-Y26 AromaticContact CE2-CE2 3.36Å; W20-Y26 AromaticContact CE2-CZ 3.39Å; W20-Y26 HydrophobicContact CE3-CD2 4.1Å; W20-Y26 HydrophobicContact CE3-CE2 4.26Å; W20-Y26 HydrophobicContact CE3-CG 4.38Å; W20-Y26 HydrophobicContact CG-CE2 4.21Å; W20-Y26 AromaticContact CH2-CD1 3.53Å; W20-Y26 HydrophobicContact CH2-CD1 3.53Å; W20-Y26 HydrophobicContact CH2-CD2 4.13Å; W20-Y26 AromaticContact CH2-CE1 3.47Å; W20-Y26 HydrophobicContact CH2-CE1 3.47Å; W20-Y26 VanDerWaalsContact CH2-CE1 3.47Å; W20-Y26 HydrophobicContact CH2-CE2 4.02Å; W20-Y26 AromaticContact CH2-CG 3.9Å; W20-Y26 HydrophobicContact CH2-CG 3.9Å; W20-Y26 AromaticContact CH2-CZ 3.73Å; W20-Y26 AromaticContact CZ2-CD1 3.87Å; W20-Y26 HydrophobicContact CZ2-CD1 3.87Å; W20-Y26 HydrophobicContact CZ2-CD2 4.12Å; W20-Y26 AromaticContact CZ2-CE1 3.31Å; W20-Y26 HydrophobicContact CZ2-CE1 3.31Å; W20-Y26 AromaticContact CZ2-CE2 3.55Å; W20-Y26 HydrophobicContact CZ2-CE2 3.55Å; W20-Y26 HydrophobicContact CZ2-CG 4.27Å; W20-Y26 AromaticContact CZ2-CZ 3.12Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.48Å; W20-Y26 HydrophobicContact CZ3-CD1 4.08Å; W20-Y26 HydrophobicContact CZ3-CD2 4.15Å; W20-Y26 HydrophobicContact CZ3-CE1 4.37Å; W20-Y26 HydrophobicContact CZ3-CE2 4.38Å; W20-Y26 AromaticContact CZ3-CG 3.99Å; W20-Y26 HydrophobicContact CZ3-CG 3.99Å; W20-Y26 AromaticContact NE1-CE2 3.59Å; W20-Y26 AromaticContact NE1-CZ 3.69Å; W20-Y26 PolarHBondContact NE1-OH 3.03Å; W20-Y26 WeakPolarHBondContact O-CD2 3.48Å; Q23-Y26 HydrophobicContact CB-CD2 4.16Å; Q23-Y26 PolarHBondContact O-N 3.44Å; P24-Y26 PolarHBondContact O-N 2.75Å; Y26-S29 PolarHBondContact O-N 2.95Å; Y26-A30 VanDerWaalsContact O-CB 3.32Å; Y26-A30 WeakPolarHBondContact O-CB 3.4Å; Y26-A30 PolarHBondContact O-N 3.43Å; Y26-I90 HydrophobicContact CD1-CG2 4.43Å; Y26-F94 HydrophobicContact CD1-CE2 4.04Å; Y26-P130 HydrophobicContact CE2-CG 3.58Å; Y26-P130 WeakPolarHBondContact OH-CG 3.48Å
27	L	89.1	Confident	80.4	Confident	102 Å²	102	60.3 Å²	60.3	53%	0.534	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-49.8	177.4	-176.7	131.5	0	0	0	111.7	S29 A30 L31	L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.65Å; L27-A30 PolarHBondContact O-N 3.42Å; L27-L31 HydrophobicContact CD2-CD1 3.81Å; L27-L31 HydrophobicContact CG-CD1 4.48Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 2.82Å
28	L	90.8	Very high	82	Confident	65 Å²	65	59.3 Å²	59.3	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-37.2	176.4	-71.3	168.4	0	0	0	111.8	P24 L31 L32 F123	P24-L28 HydrophobicContact CB-CD1 4.21Å; P24-L28 WeakPolarHBondContact O-CB 3.47Å; P24-L28 WeakPolarHBondContact O-CD1 2.92Å; P24-L28 VanDerWaalsContact O-CG 3.24Å; P24-L28 WeakPolarHBondContact O-CG 3.45Å; P24-L28 PolarHBondContact O-N 2.8Å; L28-L31 PolarHBondContact O-N 3.02Å; L28-L32 WeakPolarHBondContact O-CB 3.06Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.32Å; L28-F123 HydrophobicContact CB-CD2 3.87Å; L28-F123 HydrophobicContact CB-CE2 3.5Å; L28-F123 HydrophobicContact CD1-CD2 4.39Å; L28-F123 HydrophobicContact CD1-CE2 4.28Å
29	S	92.4	Very high	83.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-40.6	173.7	-72.8	0	0	0	0	112.6	Y25 Y26 L27 S33 K98 F123	Y25-S29 WeakPolarHBondContact O-CB 3.4Å; Y25-S29 PolarHBondContact O-N 3.17Å; Y25-S29 PolarHBondContact O-OG 3.33Å; Y26-S29 PolarHBondContact O-N 2.95Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.65Å; S29-S33 VanDerWaalsContact O-CB 3.25Å; S29-S33 WeakPolarHBondContact O-CB 3.41Å; S29-S33 PolarHBondContact O-N 3Å; S29-S33 PolarHBondContact O-OG 3.1Å; S29-K98 PolarHBondContact OG-NZ 3.34Å; S29-F123 WeakPolarHBondContact OG-CE1 3.29Å; S29-F123 WeakPolarHBondContact OG-CZ 3.44Å
30	A	92.6	Very high	85.3	Confident	43 Å²	43	48.2 Å²	48.2	36%	0.355	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-44.4	175.6	0	0	0	0	0	110.9	Y26 L27 S33 A34 F94	Y26-A30 VanDerWaalsContact O-CB 3.32Å; Y26-A30 WeakPolarHBondContact O-CB 3.4Å; Y26-A30 PolarHBondContact O-N 3.43Å; L27-A30 PolarHBondContact O-N 3.42Å; A30-S33 CarbonylContact O-C 3.53Å; A30-S33 PolarHBondContact O-N 2.84Å; A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 2.92Å; A30-F94 HydrophobicContact CB-CE1 4.02Å; A30-F94 HydrophobicContact CB-CZ 3.96Å
31	L	93.7	Very high	87	Confident	88 Å²	88	50.3 Å²	50.3	46%	0.461	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-48.9	175.6	-73.1	171.5	0	0	0	111.8	L27 L28 S33 A34 A35 L38	L27-L31 HydrophobicContact CD2-CD1 3.81Å; L27-L31 HydrophobicContact CG-CD1 4.48Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 2.82Å; L28-L31 PolarHBondContact O-N 3.02Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 2.89Å; L31-A34 CarbonylContact O-C 3.6Å; L31-A34 PolarHBondContact O-N 3.1Å; L31-A35 WeakPolarHBondContact O-CA 3.38Å; L31-A35 WeakPolarHBondContact O-CB 3.32Å; L31-A35 PolarHBondContact O-N 3.29Å; L31-L38 HydrophobicContact CD2-CD1 4.3Å
32	L	94.8	Very high	88.7	Confident	23 Å²	23	48.8 Å²	48.8	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-38	175.8	-73.4	173.2	0	0	0	112	L28 A34 A35 K98 N101 Y116 L119 F123	L28-L32 WeakPolarHBondContact O-CB 3.06Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.32Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A35 WeakPolarHBondContact O-CB 3.37Å; L32-A35 PolarHBondContact O-N 3.26Å; L32-K98 HydrophobicContact CB-CG 4.36Å; L32-N101 PolarHBondContact O-ND2 2.92Å; L32-Y116 HydrophobicContact CD2-CE2 4.11Å; L32-Y116 PolarHBondContact O-OH 3.04Å; L32-L119 HydrophobicContact CD2-CB 4.35Å; L32-F123 HydrophobicContact CD1-CB 3.7Å; L32-F123 HydrophobicContact CD1-CD1 4.02Å; L32-F123 HydrophobicContact CD1-CD2 3.97Å; L32-F123 HydrophobicContact CD1-CG 3.58Å
33	S	95.4	Very high	90.1	Very high	16 Å²	16	48.5 Å²	48.5	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-72.4	-26.2	179.1	-57.3	0	0	0	0	113.3	S29 A30 L31 F94 N101	S29-S33 VanDerWaalsContact O-CB 3.25Å; S29-S33 WeakPolarHBondContact O-CB 3.41Å; S29-S33 PolarHBondContact O-N 3Å; S29-S33 PolarHBondContact O-OG 3.1Å; A30-S33 CarbonylContact O-C 3.53Å; A30-S33 PolarHBondContact O-N 2.84Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 2.89Å; S33-F94 WeakPolarHBondContact OG-CA 3.07Å; S33-F94 VanDerWaalsContact OG-CD1 3.3Å; S33-F94 WeakPolarHBondContact OG-CD1 3.24Å; S33-N101 PolarHBondContact O-ND2 3.14Å
34	A	94.6	Very high	90.8	Very high	32 Å²	32	50.5 Å²	50.5	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-97.4	-3.5	175.2	0	0	0	0	0	113.1	A30 L31 L32 F36 L37 L38	A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 2.92Å; L31-A34 CarbonylContact O-C 3.6Å; L31-A34 PolarHBondContact O-N 3.1Å; L32-A34 VanDerWaalsContact C-N 3.34Å; A34-F36 VanDerWaalsContact C-N 3.32Å; A34-F36 PolarHBondContact O-N 3.27Å; A34-L37 WeakPolarHBondContact O-CB 3.3Å; A34-L37 PolarHBondContact O-N 3.43Å; A34-L38 HydrophobicContact CB-CD1 4.12Å; A34-L38 HydrophobicContact CB-CG 4.19Å; A34-L38 WeakPolarHBondContact O-CG 3.47Å; A34-L38 PolarHBondContact O-N 2.88Å
35	A	95.6	Very high	91.2	Very high	18 Å²	18	50.7 Å²	50.7	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-53.7	-44.4	-167.6	0	0	0	0	0	113.5	L31 L32 L38 V39 F105 Y116	L31-A35 WeakPolarHBondContact O-CA 3.38Å; L31-A35 WeakPolarHBondContact O-CB 3.32Å; L31-A35 PolarHBondContact O-N 3.29Å; L32-A35 WeakPolarHBondContact O-CB 3.37Å; L32-A35 PolarHBondContact O-N 3.26Å; A35-L38 PolarHBondContact O-N 3.25Å; A35-V39 WeakPolarHBondContact O-CB 3.22Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.19Å; A35-F105 HydrophobicContact CB-CE2 4.07Å; A35-F105 HydrophobicContact CB-CZ 4.26Å; A35-Y116 HydrophobicContact CB-CD2 4.41Å; A35-Y116 HydrophobicContact CB-CE2 3.91Å
36	F	94.4	Very high	91.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-43.7	179.5	-173.4	-97.2	0	0	0	112.4	A34 L38 V39 R40 F61 E65 N101 L104 F105 L108	A34-F36 VanDerWaalsContact C-N 3.32Å; A34-F36 PolarHBondContact O-N 3.27Å; F36-L38 VanDerWaalsContact C-N 3.3Å; F36-L38 PolarHBondContact O-N 2.95Å; F36-V39 PolarHBondContact O-N 3.05Å; F36-R40 HydrophobicContact CD1-CG 4.29Å; F36-R40 HydrophobicContact CE1-CG 3.81Å; F36-R40 HydrophobicContact CE2-CG 4.46Å; F36-R40 HydrophobicContact CZ-CG 3.9Å; F36-R40 WeakPolarHBondContact O-CB 3.37Å; F36-R40 PolarHBondContact O-N 3.25Å; F36-F61 HydrophobicContact CD1-CE1 4.17Å; F36-F61 HydrophobicContact CE1-CD1 4.07Å; F36-F61 AromaticContact CE1-CE1 3.91Å; F36-F61 HydrophobicContact CE1-CE1 3.91Å; F36-E65 HydrophobicContact CE1-CG 4.5Å; F36-E65 HydrophobicContact CZ-CG 4.29Å; F36-E65 WeakPolarHBondContact CZ-OE1 3.2Å; F36-N101 HydrophobicContact CB-CB 4.42Å; F36-N101 WeakPolarHBondContact CB-OD1 3.37Å; F36-L104 HydrophobicContact CB-CD1 4.37Å; F36-L104 HydrophobicContact CD1-CB 4Å; F36-L104 HydrophobicContact CD1-CD1 3.63Å; F36-L104 HydrophobicContact CD1-CD2 4.44Å; F36-L104 HydrophobicContact CD1-CG 4.24Å; F36-L104 HydrophobicContact CD2-CB 3.54Å; F36-L104 HydrophobicContact CE1-CB 4.03Å; F36-L104 HydrophobicContact CE1-CD1 4.03Å; F36-L104 HydrophobicContact CE1-CD2 3.99Å; F36-L104 HydrophobicContact CE1-CG 4.24Å; F36-L104 HydrophobicContact CE2-CB 3.6Å; F36-L104 HydrophobicContact CG-CB 3.75Å; F36-L104 HydrophobicContact CG-CD1 3.94Å; F36-L104 HydrophobicContact CG-CG 4.41Å; F36-L104 HydrophobicContact CZ-CB 3.84Å; F36-L104 HydrophobicContact CZ-CD2 4.18Å; F36-L104 HydrophobicContact CZ-CG 4.45Å; F36-F105 HydrophobicContact CB-CE2 3.99Å; F36-F105 HydrophobicContact CB-CZ 4.08Å; F36-F105 AromaticContact CD2-CD1 3.95Å; F36-F105 HydrophobicContact CD2-CD1 3.95Å; F36-F105 HydrophobicContact CD2-CD2 4.33Å; F36-F105 AromaticContact CD2-CE1 3.9Å; F36-F105 HydrophobicContact CD2-CE1 3.9Å; F36-F105 HydrophobicContact CD2-CE2 4.27Å; F36-F105 HydrophobicContact CD2-CG 4.16Å; F36-F105 HydrophobicContact CD2-CZ 4.07Å; F36-F105 HydrophobicContact CE2-CD1 4.48Å; F36-L108 HydrophobicContact CE2-CB 4.48Å; F36-L108 HydrophobicContact CE2-CD2 4.3Å
37	L	92.9	Very high	91.2	Very high	71 Å²	71	54.1 Å²	54.1	37%	0.372	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.8	-58.8	177.9	0	0	0	110.9	A34 R40 K41 F61 L69	A34-L37 WeakPolarHBondContact O-CB 3.3Å; A34-L37 PolarHBondContact O-N 3.43Å; L37-R40 PolarHBondContact O-N 2.9Å; L37-K41 WeakPolarHBondContact O-CB 3.49Å; L37-K41 PolarHBondContact O-N 3.38Å; L37-F61 HydrophobicContact CD2-CE1 3.79Å; L37-F61 HydrophobicContact CD2-CE2 4.34Å; L37-F61 HydrophobicContact CD2-CZ 3.43Å; L37-F61 VanDerWaalsContact CD2-CZ 3.43Å; L37-L69 HydrophobicContact CD2-CD1 3.92Å; L37-L69 HydrophobicContact CD2-CD2 4.21Å
38	L	92.9	Very high	90.9	Very high	67 Å²	67	52.7 Å²	52.7	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-49.4	177	-67.8	174.5	0	0	0	110.9	L31 A34 A35 F36 R40 K41 L42	L31-L38 HydrophobicContact CD2-CD1 4.3Å; A34-L38 HydrophobicContact CB-CD1 4.12Å; A34-L38 HydrophobicContact CB-CG 4.19Å; A34-L38 WeakPolarHBondContact O-CG 3.47Å; A34-L38 PolarHBondContact O-N 2.88Å; A35-L38 PolarHBondContact O-N 3.25Å; F36-L38 VanDerWaalsContact C-N 3.3Å; F36-L38 PolarHBondContact O-N 2.95Å; L38-R40 VanDerWaalsContact C-N 3.27Å; L38-R40 PolarHBondContact O-N 2.84Å; L38-K41 PolarHBondContact O-N 3.36Å; L38-L42 HydrophobicContact CB-CD1 3.75Å; L38-L42 HydrophobicContact CD2-CD1 3.8Å; L38-L42 HydrophobicContact CG-CD1 4.35Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 VanDerWaalsContact O-CD1 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.37Å; L38-L42 PolarHBondContact O-N 3.26Å
39	V	92.5	Very high	90.8	Very high	25 Å²	25	50.6 Å²	50.6	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-38.7	178.5	167.2	0	0	0	0	111.7	A35 F36 L45 C46 L49 F105	A35-V39 WeakPolarHBondContact O-CB 3.22Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.19Å; F36-V39 PolarHBondContact O-N 3.05Å; V39-L45 HydrophobicContact CG2-CD1 4.45Å; V39-C46 WeakPolarHBondContact O-CB 3.36Å; V39-C46 PolarHBondContact O-N 3.02Å; V39-L49 HydrophobicContact CG1-CD1 3.61Å; V39-L49 HydrophobicContact CG1-CD2 3.75Å; V39-L49 HydrophobicContact CG1-CG 4.25Å; V39-F105 HydrophobicContact CB-CE1 4.31Å; V39-F105 HydrophobicContact CB-CZ 4.39Å; V39-F105 HydrophobicContact CG1-CE1 4.26Å; V39-F105 HydrophobicContact CG2-CE1 4.22Å; V39-F105 HydrophobicContact CG2-CZ 4.09Å
40	R	90.4	Very high	90.3	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.011	32%	0.319	C	S	.	.	H	α-helix	trans	-74.4	-36.1	177.5	-77.1	-70.4	-164.5	-179.7	3.9	113.9	F36 L37 L38 C46 P58 C59 F61 E65	F36-R40 HydrophobicContact CD1-CG 4.29Å; F36-R40 HydrophobicContact CE1-CG 3.81Å; F36-R40 HydrophobicContact CE2-CG 4.46Å; F36-R40 HydrophobicContact CZ-CG 3.9Å; F36-R40 WeakPolarHBondContact O-CB 3.37Å; F36-R40 PolarHBondContact O-N 3.25Å; L37-R40 PolarHBondContact O-N 2.9Å; L38-R40 VanDerWaalsContact C-N 3.27Å; L38-R40 PolarHBondContact O-N 2.84Å; R40-C46 VanDerWaalsContact O-CB 3.25Å; R40-C46 WeakPolarHBondContact O-CB 3.43Å; R40-P58 PolarHBondContact NH1-O 2.84Å; R40-C59 CarbonylContact O-C 3.44Å; R40-C59 VanDerWaalsContact O-CA 3.23Å; R40-C59 WeakPolarHBondContact O-CA 3.42Å; R40-F61 HydrophobicContact CB-CD1 4.22Å; R40-F61 HydrophobicContact CB-CE1 3.59Å; R40-F61 HydrophobicContact CB-CZ 4Å; R40-F61 HydrophobicContact CG-CD1 4.05Å; R40-F61 HydrophobicContact CG-CE1 3.72Å; R40-E65 IonicContact CZ-OE1 3.84Å; R40-E65 IonicContact CZ-OE2 3.54Å; R40-E65 IonicContact NE-OE1 3.38Å; R40-E65 IonicContact NE-OE2 3.49Å; R40-E65 PolarHBondContact NE-OE2 3.01Å; R40-E65 IonicContact NH2-OE1 2.87Å; R40-E65 PolarHBondContact NH2-OE1 3.26Å; R40-E65 IonicContact NH2-OE2 2.66Å; R40-E65 PolarHBondContact NH2-OE2 2.88Å
41	K	90.5	Very high	89.6	Confident	105 Å²	105	54 Å²	54	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-100.1	-13.5	-171.7	-67.9	-63.2	177	-162.4	0	115.7	L37 L38 P43 C59 D60 F61	L37-K41 WeakPolarHBondContact O-CB 3.49Å; L37-K41 PolarHBondContact O-N 3.38Å; L38-K41 PolarHBondContact O-N 3.36Å; K41-P43 WeakPolarHBondContact O-CD 3.06Å; K41-C59 PolarHBondContact NZ-O 2.97Å; K41-C59 VanDerWaalsContact NZ-O 3.09Å; K41-D60 IonicContact NZ-OD1 3.92Å; K41-D60 PolarHBondContact NZ-OD1 2.91Å; K41-F61 HydrophobicContact CD-CE2 4.29Å; K41-F61 HydrophobicContact CG-CE2 4.18Å; K41-F61 HydrophobicContact CG-CZ 4.14Å
42	L	90.4	Very high	88.6	Confident	73 Å²	73	58.2 Å²	58.2	38%	0.382	34%	0.335	S	S	.	.	S	Bend	trans	-85	113.6	173.7	-84.1	131.9	0	0	0	110.2	L38 L45 C46	L38-L42 HydrophobicContact CB-CD1 3.75Å; L38-L42 HydrophobicContact CD2-CD1 3.8Å; L38-L42 HydrophobicContact CG-CD1 4.35Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 VanDerWaalsContact O-CD1 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.37Å; L38-L42 PolarHBondContact O-N 3.26Å; L42-L45 HydrophobicContact CB-CB 4.36Å; L42-L45 HydrophobicContact CB-CD1 4.17Å; L42-L45 HydrophobicContact CB-CG 4.29Å; L42-L45 HydrophobicContact CD1-CD1 4.4Å; L42-L45 PolarHBondContact O-N 2.57Å; L42-C46 PolarHBondContact O-N 3.46Å; L42-C46 PolarHBondContact O-SG 3.34Å
43	P	85	Confident	87.8	Confident	73 Å²	73	60.7 Å²	60.7	47%	0.474	34%	0.343	S	S	.	.	H	α-helix	trans	-44.4	-49	178.9	-28.5	35.8	0	0	0	115.1	K41 L45 C46 H47	K41-P43 WeakPolarHBondContact O-CD 3.06Å; P43-L45 PolarHBondContact O-N 2.93Å; P43-C46 WeakPolarHBondContact CA-SG 3.46Å; P43-C46 PolarHBondContact O-N 3.32Å; P43-H47 PolarHBondContact O-CD2 3.08Å; P43-H47 PolarHBondContact O-N 2.92Å
44	P	85.9	Confident	86.8	Confident	105 Å²	105	69.7 Å²	69.7	68%	0.682	38%	0.383	S	S	*	.	H	α-helix	trans	-65.4	-24.7	-177.1	26.2	-35.8	0	0	0	113.6
45	L	87.4	Confident	86	Confident	89 Å²	89	72.3 Å²	72.3	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-91.6	-38.9	179.9	-60.5	179.8	0	0	0	111.4	V39 L42 P43 L49	V39-L45 HydrophobicContact CG2-CD1 4.45Å; L42-L45 HydrophobicContact CB-CB 4.36Å; L42-L45 HydrophobicContact CB-CD1 4.17Å; L42-L45 HydrophobicContact CB-CG 4.29Å; L42-L45 HydrophobicContact CD1-CD1 4.4Å; L42-L45 PolarHBondContact O-N 2.57Å; P43-L45 PolarHBondContact O-N 2.93Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å
46	C	88.2	Confident	85.1	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.007	41%	0.407	C	S	.	.	H	α-helix	trans	-76	-31.2	-173.6	63.9	0	0	0	0	113.7	V39 R40 L42 P43 G48 L49 P58 C59	V39-C46 WeakPolarHBondContact O-CB 3.36Å; V39-C46 PolarHBondContact O-N 3.02Å; R40-C46 VanDerWaalsContact O-CB 3.25Å; R40-C46 WeakPolarHBondContact O-CB 3.43Å; L42-C46 PolarHBondContact O-N 3.46Å; L42-C46 PolarHBondContact O-SG 3.34Å; P43-C46 WeakPolarHBondContact CA-SG 3.46Å; P43-C46 PolarHBondContact O-N 3.32Å; C46-G48 PolarHBondContact O-N 3.35Å; C46-G48 VanDerWaalsContact O-N 3.16Å; C46-L49 HydrophobicContact CB-CD1 4.14Å; C46-L49 WeakPolarHBondContact O-CB 3.4Å; C46-L49 PolarHBondContact O-N 2.94Å; C46-L49 VanDerWaalsContact O-N 3.08Å; C46-P58 WeakPolarHBondContact O-CB 3.47Å; C46-P58 WeakPolarHBondContact O-CG 3.24Å; C46-C59 HydrophobicContact CB-CB 3.76Å; C46-C59 WeakPolarHBondContact CB-SG 3.4Å; C46-C59 WeakPolarHBondContact SG-CB 3.48Å; C46-C59 CovalentContact SG-SG 2.03Å; C46-C59 PolarHBondContact SG-SG 2.79Å
47	H	86.1	Confident	84.7	Confident	137 Å²	137	76 Å²	76	63%	0.634	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.2	179.8	-71.7	-49.3	0	0	0	114.2	P43	P43-H47 PolarHBondContact O-CD2 3.08Å; P43-H47 PolarHBondContact O-N 2.92Å
48	G	83.2	Confident	84.3	Confident	72 Å²	72	73.4 Å²	73.4	74%	0.742	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	3.1	177.6	0	0	0	0	0	114.8	C46	C46-G48 PolarHBondContact O-N 3.35Å; C46-G48 VanDerWaalsContact O-N 3.16Å
49	L	86.8	Confident	84	Confident	22 Å²	22	71.1 Å²	71.1	12%	0.115	40%	0.397	C	S	.	.	S	Bend	trans	-83.6	144.6	-174.6	-61.2	175.4	0	0	0	112.1	V39 L45 C46 T51 P58 L108	V39-L49 HydrophobicContact CG1-CD1 3.61Å; V39-L49 HydrophobicContact CG1-CD2 3.75Å; V39-L49 HydrophobicContact CG1-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; C46-L49 HydrophobicContact CB-CD1 4.14Å; C46-L49 WeakPolarHBondContact O-CB 3.4Å; C46-L49 PolarHBondContact O-N 2.94Å; C46-L49 VanDerWaalsContact O-N 3.08Å; L49-T51 PolarHBondContact O-N 3.32Å; L49-P58 HydrophobicContact CB-CB 4.2Å; L49-L108 HydrophobicContact CD1-CD2 4.36Å; L49-L108 HydrophobicContact CD2-CD2 4.16Å
50	P	82.6	Confident	83.7	Confident	62 Å²	62	72.9 Å²	72.9	40%	0.403	41%	0.405	S	S	.	.			trans	-63.9	131.1	168.1	27.4	-31.6	0	0	0	109.3	L108 D109	P50-L108 HydrophobicContact CG-CD1 4.19Å; P50-L108 HydrophobicContact CG-CG 4.38Å; P50-L108 VanDerWaalsContact O-CD1 3.29Å; P50-L108 WeakPolarHBondContact O-CD1 3.42Å; P50-D109 HydrophobicContact CG-CB 4.21Å
51	T	78.9	Confident	83.7	Confident	52 Å²	52	74.8 Å²	74.8	32%	0.319	41%	0.414	S	S	.	.			trans	-120.4	133.5	175.9	-175.4	0	0	0	0	110.4	L49 R53 P58	L49-T51 PolarHBondContact O-N 3.32Å; T51-R53 VanDerWaalsContact OG1-CB 3.3Å; T51-R53 WeakPolarHBondContact OG1-CB 3.48Å; T51-R53 PolarHBondContact OG1-N 3.03Å; T51-P58 HydrophobicContact CG2-CB 4.44Å
52	Q	72.8	Confident	83.6	Confident	176 Å²	176	71 Å²	71	82%	0.822	40%	0.399	S	S	*	.			trans	-103.8	10.9	170.2	-63.2	-169.4	5.7	0	0	111.6
53	R	77.5	Confident	83.5	Confident	76 Å²	76	77.4 Å²	77.4	29%	0.287	42%	0.418	S	S	.	.			trans	-82.2	143.1	-174.3	-157.2	176.1	145.7	91.2	12.1	110.8	T51 D55 G56 F61 D62	T51-R53 VanDerWaalsContact OG1-CB 3.3Å; T51-R53 WeakPolarHBondContact OG1-CB 3.48Å; T51-R53 PolarHBondContact OG1-N 3.03Å; R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 WeakPolarHBondContact CD-OD1 3.29Å; R53-D55 WeakPolarHBondContact CG-OD1 3.19Å; R53-D55 IonicContact CZ-OD1 3.93Å; R53-D55 IonicContact CZ-OD2 3.17Å; R53-D55 IonicContact NE-OD1 2.65Å; R53-D55 PolarHBondContact NE-OD1 3.46Å; R53-D55 IonicContact NE-OD2 3.64Å; R53-D55 PolarHBondContact NE-OD2 3.08Å; R53-D55 IonicContact NH2-OD2 2.75Å; R53-D55 PolarHBondContact NH2-OD2 3.48Å; R53-D55 PolarHBondContact O-N 3.25Å; R53-G56 PolarHBondContact O-N 2.97Å; R53-G56 VanDerWaalsContact O-N 3.11Å; R53-F61 PolarHBondContact NH1-O 3.03Å; R53-D62 WeakPolarHBondContact CD-OD1 3.1Å; R53-D62 WeakPolarHBondContact CG-OD1 3.37Å
54	E	73.2	Confident	83.7	Confident	204 Å²	204	80.4 Å²	80.4	95%	0.953	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.4	-176.4	-65.1	-178.4	172.8	0	0	113.6	G56	E54-G56 VanDerWaalsContact C-N 3.3Å
55	D	78	Confident	84	Confident	87 Å²	87	75.5 Å²	75.5	47%	0.465	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.9	177.3	64.3	3.1	0	0	0	113.5	R53 N57	R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 WeakPolarHBondContact CD-OD1 3.29Å; R53-D55 WeakPolarHBondContact CG-OD1 3.19Å; R53-D55 IonicContact CZ-OD1 3.93Å; R53-D55 IonicContact CZ-OD2 3.17Å; R53-D55 IonicContact NE-OD1 2.65Å; R53-D55 PolarHBondContact NE-OD1 3.46Å; R53-D55 IonicContact NE-OD2 3.64Å; R53-D55 PolarHBondContact NE-OD2 3.08Å; R53-D55 IonicContact NH2-OD2 2.75Å; R53-D55 PolarHBondContact NH2-OD2 3.48Å; R53-D55 PolarHBondContact O-N 3.25Å; D55-N57 PolarHBondContact O-N 2.82Å; D55-N57 VanDerWaalsContact O-N 3.15Å; D55-N57 PolarHBondContact OD1-N 2.91Å
56	G	78.3	Confident	84.2	Confident	43 Å²	43	74 Å²	74	44%	0.443	38%	0.382	S	S	.	.			trans	65	10.3	-179	0	0	0	0	0	114.9	R53 E54 P58	R53-G56 PolarHBondContact O-N 2.97Å; R53-G56 VanDerWaalsContact O-N 3.11Å; E54-G56 VanDerWaalsContact C-N 3.3Å; G56-P58 WeakPolarHBondContact O-CD 3.2Å
57	N	84.8	Confident	84.5	Confident	54 Å²	54	78 Å²	78	29%	0.289	40%	0.401	S	S	.	.			trans	-87.8	108.5	179.5	-175.1	9.8	0	0	0	111	D55 C59 D60	D55-N57 PolarHBondContact O-N 2.82Å; D55-N57 VanDerWaalsContact O-N 3.15Å; D55-N57 PolarHBondContact OD1-N 2.91Å; N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 PolarHBondContact O-N 3.22Å; N57-C59 PolarHBondContact OD1-N 2.87Å; N57-C59 VanDerWaalsContact OD1-N 3.13Å; N57-D60 PolarHBondContact ND2-OD2 2.86Å
58	P	83.9	Confident	84.9	Confident	16 Å²	16	73.3 Å²	73.3	10%	0.104	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.1	-178.7	33.4	-37.5	0	0	0	113.7	R40 C46 L49 T51 G56	R40-P58 PolarHBondContact NH1-O 2.84Å; C46-P58 WeakPolarHBondContact O-CB 3.47Å; C46-P58 WeakPolarHBondContact O-CG 3.24Å; L49-P58 HydrophobicContact CB-CB 4.2Å; T51-P58 HydrophobicContact CG2-CB 4.44Å; G56-P58 WeakPolarHBondContact O-CD 3.2Å
59	C	87.6	Confident	85.4	Confident	19 Å²	19	71.8 Å²	71.8	13%	0.128	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.7	-176	-55.7	0	0	0	0	114	R40 K41 C46 N57	R40-C59 CarbonylContact O-C 3.44Å; R40-C59 VanDerWaalsContact O-CA 3.23Å; R40-C59 WeakPolarHBondContact O-CA 3.42Å; K41-C59 PolarHBondContact NZ-O 2.97Å; K41-C59 VanDerWaalsContact NZ-O 3.09Å; C46-C59 HydrophobicContact CB-CB 3.76Å; C46-C59 WeakPolarHBondContact CB-SG 3.4Å; C46-C59 WeakPolarHBondContact SG-CB 3.48Å; C46-C59 CovalentContact SG-SG 2.03Å; C46-C59 PolarHBondContact SG-SG 2.79Å; N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 PolarHBondContact O-N 3.22Å; N57-C59 PolarHBondContact OD1-N 2.87Å; N57-C59 VanDerWaalsContact OD1-N 3.13Å
60	D	87.1	Confident	85.8	Confident	61 Å²	61	76.7 Å²	76.7	33%	0.326	38%	0.378	S	S	.	.	S	Bend	trans	-99.6	156.8	173.9	-79.1	-32.5	0	0	0	112.3	K41 N57	K41-D60 IonicContact NZ-OD1 3.92Å; K41-D60 PolarHBondContact NZ-OD1 2.91Å; N57-D60 PolarHBondContact ND2-OD2 2.86Å
61	F	89.1	Confident	86.3	Confident	44 Å²	44	80.3 Å²	80.3	19%	0.193	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-82.1	139.6	178.7	-65.5	-68.4	0	0	0	110	F36 L37 R40 K41 R53 E65 V66 L69	F36-F61 HydrophobicContact CD1-CE1 4.17Å; F36-F61 HydrophobicContact CE1-CD1 4.07Å; F36-F61 AromaticContact CE1-CE1 3.91Å; F36-F61 HydrophobicContact CE1-CE1 3.91Å; L37-F61 HydrophobicContact CD2-CE1 3.79Å; L37-F61 HydrophobicContact CD2-CE2 4.34Å; L37-F61 HydrophobicContact CD2-CZ 3.43Å; L37-F61 VanDerWaalsContact CD2-CZ 3.43Å; R40-F61 HydrophobicContact CB-CD1 4.22Å; R40-F61 HydrophobicContact CB-CE1 3.59Å; R40-F61 HydrophobicContact CB-CZ 4Å; R40-F61 HydrophobicContact CG-CD1 4.05Å; R40-F61 HydrophobicContact CG-CE1 3.72Å; K41-F61 HydrophobicContact CD-CE2 4.29Å; K41-F61 HydrophobicContact CG-CE2 4.18Å; K41-F61 HydrophobicContact CG-CZ 4.14Å; R53-F61 PolarHBondContact NH1-O 3.03Å; F61-E65 WeakPolarHBondContact CA-OE2 2.97Å; F61-V66 HydrophobicContact CB-CG2 3.89Å; F61-L69 HydrophobicContact CD1-CD1 4.47Å; F61-L69 HydrophobicContact CE1-CD1 4.43Å
62	D	88.7	Confident	87	Confident	26 Å²	26	79.1 Å²	79.1	14%	0.139	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-75.7	153.2	169.2	-74.5	-26	0	0	0	110.9	R53 R64 E65 V66	R53-D62 WeakPolarHBondContact CD-OD1 3.1Å; R53-D62 WeakPolarHBondContact CG-OD1 3.37Å; D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact O-N 3.17Å; D62-E65 HydrophobicContact CB-CG 4.03Å; D62-E65 PolarHBondContact N-OE2 2.93Å; D62-E65 WeakPolarHBondContact O-CA 3.5Å; D62-E65 WeakPolarHBondContact O-CB 3.18Å; D62-E65 PolarHBondContact O-N 2.93Å; D62-V66 PolarHBondContact O-N 2.8Å
63	W	87.6	Confident	88	Confident	206 Å²	206	73.8 Å²	73.8	78%	0.78	36%	0.362	S	S	*	.	H	α-helix	trans	-53.2	-39.8	177	-77.4	111.8	0	0	0	113	E65 V66 E67	W63-E65 VanDerWaalsContact C-N 3.31Å; W63-E65 PolarHBondContact O-N 3.02Å; W63-V66 PolarHBondContact O-N 2.99Å; W63-E67 WeakPolarHBondContact O-CG 3.41Å; W63-E67 PolarHBondContact O-N 2.9Å
64	R	90.4	Very high	88.8	Confident	137 Å²	137	72.4 Å²	72.4	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-32.7	175.8	-66.6	-59.8	-155.7	176.9	2.1	113	D62 E67 I68	D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact O-N 3.17Å; R64-E67 WeakPolarHBondContact CD-OE2 3.48Å; R64-E67 IonicContact CZ-OE2 3.81Å; R64-E67 IonicContact NE-OE2 3.41Å; R64-E67 IonicContact NH1-OE1 3.81Å; R64-E67 IonicContact NH1-OE2 2.88Å; R64-E67 PolarHBondContact NH1-OE2 2.91Å; R64-I68 WeakPolarHBondContact O-CD1 3.2Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.48Å; R64-I68 PolarHBondContact O-N 2.86Å; R64-I68 VanDerWaalsContact O-N 3.1Å
65	E	91.7	Very high	89.7	Confident	2 Å²	2	66 Å²	66	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-72.6	-40.6	176.5	-61.7	175.8	161	0	0	110.6	F36 R40 F61 D62 W63 E67 I68 L69 L104	F36-E65 HydrophobicContact CE1-CG 4.5Å; F36-E65 HydrophobicContact CZ-CG 4.29Å; F36-E65 WeakPolarHBondContact CZ-OE1 3.2Å; R40-E65 IonicContact CZ-OE1 3.84Å; R40-E65 IonicContact CZ-OE2 3.54Å; R40-E65 IonicContact NE-OE1 3.38Å; R40-E65 IonicContact NE-OE2 3.49Å; R40-E65 PolarHBondContact NE-OE2 3.01Å; R40-E65 IonicContact NH2-OE1 2.87Å; R40-E65 PolarHBondContact NH2-OE1 3.26Å; R40-E65 IonicContact NH2-OE2 2.66Å; R40-E65 PolarHBondContact NH2-OE2 2.88Å; F61-E65 WeakPolarHBondContact CA-OE2 2.97Å; D62-E65 HydrophobicContact CB-CG 4.03Å; D62-E65 PolarHBondContact N-OE2 2.93Å; D62-E65 WeakPolarHBondContact O-CA 3.5Å; D62-E65 WeakPolarHBondContact O-CB 3.18Å; D62-E65 PolarHBondContact O-N 2.93Å; W63-E65 VanDerWaalsContact C-N 3.31Å; W63-E65 PolarHBondContact O-N 3.02Å; E65-E67 VanDerWaalsContact C-N 3.34Å; E65-I68 PolarHBondContact O-N 3.5Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.5Å; E65-L69 PolarHBondContact O-N 3.16Å; E65-L104 HydrophobicContact CB-CD2 3.91Å; E65-L104 HydrophobicContact CG-CD2 3.95Å
66	V	92.4	Very high	90.5	Very high	57 Å²	57	63 Å²	63	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-43.8	172.4	179.4	0	0	0	0	110.7	F61 D62 W63 I68 L69 M70	F61-V66 HydrophobicContact CB-CG2 3.89Å; D62-V66 PolarHBondContact O-N 2.8Å; W63-V66 PolarHBondContact O-N 2.99Å; V66-I68 VanDerWaalsContact C-N 3.34Å; V66-I68 PolarHBondContact O-N 2.84Å; V66-L69 PolarHBondContact O-N 2.67Å; V66-M70 HydrophobicContact CG1-CG 4.31Å; V66-M70 WeakPolarHBondContact O-CB 3.06Å; V66-M70 VanDerWaalsContact O-CG 3.23Å; V66-M70 WeakPolarHBondContact O-CG 3.42Å; V66-M70 PolarHBondContact O-N 2.92Å
67	E	94.4	Very high	91.1	Very high	86 Å²	86	67.6 Å²	67.6	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-54.6	-49	172.8	-76.1	175.8	176	0	0	111.3	W63 R64 E65 L69 M70 F71	W63-E67 WeakPolarHBondContact O-CG 3.41Å; W63-E67 PolarHBondContact O-N 2.9Å; R64-E67 WeakPolarHBondContact CD-OE2 3.48Å; R64-E67 IonicContact CZ-OE2 3.81Å; R64-E67 IonicContact NE-OE2 3.41Å; R64-E67 IonicContact NH1-OE1 3.81Å; R64-E67 IonicContact NH1-OE2 2.88Å; R64-E67 PolarHBondContact NH1-OE2 2.91Å; E65-E67 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.14Å; E67-M70 PolarHBondContact O-N 2.78Å; E67-F71 HydrophobicContact CB-CE2 4.45Å; E67-F71 WeakPolarHBondContact O-CD2 3.39Å; E67-F71 PolarHBondContact O-N 2.97Å
68	I	93.9	Very high	91.4	Very high	38 Å²	38	71 Å²	71	20%	0.195	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-42.9	178.9	-67.6	162.7	0	0	0	111.4	R64 E65 V66 M70 F71 L72 I103 L104	R64-I68 WeakPolarHBondContact O-CD1 3.2Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.48Å; R64-I68 PolarHBondContact O-N 2.86Å; R64-I68 VanDerWaalsContact O-N 3.1Å; E65-I68 PolarHBondContact O-N 3.5Å; V66-I68 VanDerWaalsContact C-N 3.34Å; V66-I68 PolarHBondContact O-N 2.84Å; I68-M70 VanDerWaalsContact C-N 3.32Å; I68-M70 PolarHBondContact O-N 3.43Å; I68-F71 PolarHBondContact O-N 3Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 PolarHBondContact O-N 3.07Å; I68-I103 HydrophobicContact CD1-CG2 4.26Å; I68-L104 HydrophobicContact CB-CD2 3.97Å; I68-L104 HydrophobicContact CD1-CD2 3.81Å; I68-L104 HydrophobicContact CG2-CD1 4.31Å; I68-L104 HydrophobicContact CG2-CD2 3.87Å; I68-L104 HydrophobicContact CG2-CG 3.94Å
69	L	93.6	Very high	91.6	Very high	40 Å²	40	75.1 Å²	75.1	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-35.1	177.8	-69.3	171.2	0	0	0	112.1	L37 F61 E65 V66 E67 L72 S73 L104	L37-L69 HydrophobicContact CD2-CD1 3.92Å; L37-L69 HydrophobicContact CD2-CD2 4.21Å; F61-L69 HydrophobicContact CD1-CD1 4.47Å; F61-L69 HydrophobicContact CE1-CD1 4.43Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.5Å; E65-L69 PolarHBondContact O-N 3.16Å; V66-L69 PolarHBondContact O-N 2.67Å; E67-L69 PolarHBondContact O-N 3.14Å; L69-L72 HydrophobicContact CD2-CD2 4.4Å; L69-L72 WeakPolarHBondContact O-CB 3.46Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-L104 HydrophobicContact CD2-CD1 3.92Å; L69-L104 HydrophobicContact CG-CD1 4.4Å
70	M	94.2	Very high	91.7	Very high	125 Å²	125	74.9 Å²	74.9	62%	0.616	36%	0.364	S	S	*	.	H	α-helix	trans	-68.4	-40.5	173.1	-70.9	-67.8	-71.1	0	0	111.9	V66 E67 I68 L72 S73 A74	V66-M70 HydrophobicContact CG1-CG 4.31Å; V66-M70 WeakPolarHBondContact O-CB 3.06Å; V66-M70 VanDerWaalsContact O-CG 3.23Å; V66-M70 WeakPolarHBondContact O-CG 3.42Å; V66-M70 PolarHBondContact O-N 2.92Å; E67-M70 PolarHBondContact O-N 2.78Å; I68-M70 VanDerWaalsContact C-N 3.32Å; I68-M70 PolarHBondContact O-N 3.43Å; M70-L72 VanDerWaalsContact C-N 3.35Å; M70-S73 PolarHBondContact O-N 3.01Å; M70-S73 PolarHBondContact O-OG 3Å; M70-A74 PolarHBondContact O-N 2.65Å; M70-A74 VanDerWaalsContact O-N 3.11Å
71	F	95.1	Very high	91.7	Very high	137 Å²	137	82.9 Å²	82.9	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-64.4	-40.3	172.6	-76.4	-61.5	0	0	0	112	E67 I68 A74 I75	E67-F71 HydrophobicContact CB-CE2 4.45Å; E67-F71 WeakPolarHBondContact O-CD2 3.39Å; E67-F71 PolarHBondContact O-N 2.97Å; I68-F71 PolarHBondContact O-N 3Å; F71-A74 PolarHBondContact O-N 3.35Å; F71-I75 WeakPolarHBondContact O-CG1 3.37Å; F71-I75 PolarHBondContact O-N 3.45Å
72	L	93.6	Very high	91.2	Very high	27 Å²	27	91.3 Å²	91.3	14%	0.141	42%	0.42	C	S	.	.	H	α-helix	trans	-57.5	-49.4	174.2	170.7	65.2	0	0	0	111	I68 L69 M70 A74 I75 V76 F96 A100	I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 PolarHBondContact O-N 3.07Å; L69-L72 HydrophobicContact CD2-CD2 4.4Å; L69-L72 WeakPolarHBondContact O-CB 3.46Å; L69-L72 PolarHBondContact O-N 3.34Å; M70-L72 VanDerWaalsContact C-N 3.35Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 3.28Å; L72-I75 PolarHBondContact O-N 2.78Å; L72-V76 HydrophobicContact CD1-CG2 3.78Å; L72-V76 HydrophobicContact CG-CG2 4.36Å; L72-V76 WeakPolarHBondContact O-CB 3.32Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 2.63Å; L72-F96 VanDerWaalsContact CD1-C 3.5Å; L72-F96 HydrophobicContact CD1-CB 3.81Å; L72-F96 WeakPolarHBondContact CD1-O 3.22Å; L72-A100 HydrophobicContact CB-CB 4.2Å; L72-A100 HydrophobicContact CD1-CB 3.91Å; L72-A100 HydrophobicContact CD2-CB 3.8Å; L72-A100 HydrophobicContact CG-CB 4.18Å
73	S	92.6	Very high	90.9	Very high	65 Å²	65	91.3 Å²	91.3	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-40.6	-179.2	73.7	0	0	0	0	111.8	L69 M70 M77	L69-S73 PolarHBondContact O-N 3.43Å; M70-S73 PolarHBondContact O-N 3.01Å; M70-S73 PolarHBondContact O-OG 3Å; S73-M77 VanDerWaalsContact O-CB 3.29Å; S73-M77 WeakPolarHBondContact O-CB 3.36Å; S73-M77 PolarHBondContact O-N 2.92Å
74	A	94.5	Very high	90.4	Very high	46 Å²	46	86.4 Å²	86.4	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-64.3	-44.9	175.5	0	0	0	0	0	112.8	M70 F71 L72 M77 M78	M70-A74 PolarHBondContact O-N 2.65Å; M70-A74 VanDerWaalsContact O-N 3.11Å; F71-A74 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 3.28Å; A74-M77 PolarHBondContact O-N 3.49Å; A74-M78 WeakPolarHBondContact O-CB 3.3Å; A74-M78 PolarHBondContact O-N 3.12Å
75	I	93.1	Very high	90	Very high	71 Å²	71	81 Å²	81	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-46.5	178.3	-70.7	169.8	0	0	0	110.7	F71 L72 M77 M78 K79 F96	F71-I75 WeakPolarHBondContact O-CG1 3.37Å; F71-I75 PolarHBondContact O-N 3.45Å; L72-I75 PolarHBondContact O-N 2.78Å; I75-M77 VanDerWaalsContact C-N 3.35Å; I75-M77 PolarHBondContact O-N 3.33Å; I75-M78 PolarHBondContact O-N 3.45Å; I75-K79 HydrophobicContact CG2-CG 4.29Å; I75-K79 WeakPolarHBondContact O-CB 3.33Å; I75-K79 VanDerWaalsContact O-CG 3.3Å; I75-K79 WeakPolarHBondContact O-CG 3.5Å; I75-K79 PolarHBondContact O-N 3.47Å; I75-F96 HydrophobicContact CG2-CD1 3.85Å; I75-F96 HydrophobicContact CG2-CE1 4.04Å; I75-F96 HydrophobicContact CG2-CG 4.14Å; I75-F96 HydrophobicContact CG2-CZ 4.5Å
76	V	92.9	Very high	89.6	Confident	22 Å²	22	86 Å²	86	13%	0.133	42%	0.422	C	S	.	.	H	α-helix	trans	-59	-47.6	177.4	167.4	0	0	0	0	110.1	L72 M78 K79 N80 I93 F96	L72-V76 HydrophobicContact CD1-CG2 3.78Å; L72-V76 HydrophobicContact CG-CG2 4.36Å; L72-V76 WeakPolarHBondContact O-CB 3.32Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 2.63Å; V76-M78 PolarHBondContact O-N 2.96Å; V76-K79 PolarHBondContact O-N 2.95Å; V76-N80 VanDerWaalsContact O-CB 3.22Å; V76-N80 WeakPolarHBondContact O-CB 3.33Å; V76-N80 PolarHBondContact O-N 2.89Å; V76-I93 HydrophobicContact CG1-CG1 3.67Å; V76-F96 HydrophobicContact CG2-CB 3.84Å; V76-F96 HydrophobicContact CG2-CD2 4.41Å; V76-F96 HydrophobicContact CG2-CG 4.47Å
77	M	91.8	Very high	89	Confident	141 Å²	141	85.9 Å²	85.9	70%	0.695	42%	0.418	S	S	*	.	H	α-helix	trans	-59.5	-46.5	177.1	-174.9	-179.7	70.2	0	0	111.9	S73 A74 I75 K79 N80 R81	S73-M77 VanDerWaalsContact O-CB 3.29Å; S73-M77 WeakPolarHBondContact O-CB 3.36Å; S73-M77 PolarHBondContact O-N 2.92Å; A74-M77 PolarHBondContact O-N 3.49Å; I75-M77 VanDerWaalsContact C-N 3.35Å; I75-M77 PolarHBondContact O-N 3.33Å; M77-K79 PolarHBondContact O-N 3.49Å; M77-N80 PolarHBondContact O-N 2.9Å; M77-R81 PolarHBondContact O-N 3.47Å; M77-R81 VanDerWaalsContact O-N 3.1Å
78	M	90.4	Very high	88.5	Confident	124 Å²	124	83.7 Å²	83.7	61%	0.611	41%	0.408	S	S	*	.	H	α-helix	trans	-63.6	-40.6	179.6	-176.8	178.8	62.2	0	0	112.3	A74 I75 V76	A74-M78 WeakPolarHBondContact O-CB 3.3Å; A74-M78 PolarHBondContact O-N 3.12Å; I75-M78 PolarHBondContact O-N 3.45Å; V76-M78 PolarHBondContact O-N 2.96Å
79	K	89	Confident	88.2	Confident	103 Å²	103	85.5 Å²	85.5	45%	0.448	42%	0.416	S	S	.	.	H	α-helix	trans	-73	-41.3	-179.9	-72.6	-75.1	-175.5	173.5	0	111.8	I75 V76 M77 R81 R82 F96	I75-K79 HydrophobicContact CG2-CG 4.29Å; I75-K79 WeakPolarHBondContact O-CB 3.33Å; I75-K79 VanDerWaalsContact O-CG 3.3Å; I75-K79 WeakPolarHBondContact O-CG 3.5Å; I75-K79 PolarHBondContact O-N 3.47Å; V76-K79 PolarHBondContact O-N 2.95Å; M77-K79 PolarHBondContact O-N 3.49Å; K79-R81 PolarHBondContact O-N 3.39Å; K79-R82 PolarHBondContact O-N 3.42Å; K79-F96 HydrophobicContact CB-CE2 3.8Å; K79-F96 HydrophobicContact CB-CZ 4.35Å; K79-F96 HydrophobicContact CD-CE2 4.24Å; K79-F96 HydrophobicContact CD-CZ 3.96Å; K79-F96 HydrophobicContact CG-CD2 4.5Å; K79-F96 HydrophobicContact CG-CE2 3.62Å; K79-F96 HydrophobicContact CG-CZ 3.67Å
80	N	89.2	Confident	87.9	Confident	15 Å²	15	85.3 Å²	85.3	8%	0.08	41%	0.414	C	S	.	.	H	α-helix	trans	-72.7	-15	179.5	-75.8	-0.9	0	0	0	113.7	V76 M77 R82 S83 H89 N92	V76-N80 VanDerWaalsContact O-CB 3.22Å; V76-N80 WeakPolarHBondContact O-CB 3.33Å; V76-N80 PolarHBondContact O-N 2.89Å; M77-N80 PolarHBondContact O-N 2.9Å; N80-R82 PolarHBondContact O-N 2.91Å; N80-S83 PolarHBondContact O-N 3.41Å; N80-S83 VanDerWaalsContact O-N 3.1Å; N80-S83 PolarHBondContact O-OG 3.06Å; N80-H89 WeakPolarHBondContact CB-ND1 3.44Å; N80-H89 PolarHBondContact ND2-CE1 2.88Å; N80-H89 PolarHBondContact ND2-ND1 2.54Å; N80-H89 VanDerWaalsContact ND2-ND1 3.17Å; N80-H89 PolarHBondContact ND2-NE2 3.42Å; N80-H89 PolarHBondContact ND2-O 3.46Å; N80-N92 WeakPolarHBondContact OD1-CB 3.4Å; N80-N92 PolarHBondContact OD1-ND2 3.33Å
81	R	87.3	Confident	87.6	Confident	228 Å²	228	80.8 Å²	80.8	86%	0.86	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.7	168.1	-174.7	177.3	177.6	-169.5	1.3	113.1	M77 K79	M77-R81 PolarHBondContact O-N 3.47Å; M77-R81 VanDerWaalsContact O-N 3.1Å; K79-R81 PolarHBondContact O-N 3.39Å
82	R	78.9	Confident	87.4	Confident	222 Å²	222	75.5 Å²	75.5	84%	0.838	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.2	-178.7	-59.7	-177.8	-176.4	178.6	0.8	113.6	K79 N80 I84	K79-R82 PolarHBondContact O-N 3.42Å; N80-R82 PolarHBondContact O-N 2.91Å; R82-I84 PolarHBondContact O-N 3.47Å
83	S	81.6	Confident	87.4	Confident	26 Å²	26	76.7 Å²	76.7	18%	0.182	38%	0.383	C	S	.	.			trans	-77.6	122.7	178.1	60	0	0	0	0	109.7	N80 H89	N80-S83 PolarHBondContact O-N 3.41Å; N80-S83 VanDerWaalsContact O-N 3.1Å; N80-S83 PolarHBondContact O-OG 3.06Å; S83-H89 PolarHBondContact OG-ND1 2.83Å
84	I	77.9	Confident	87.4	Confident	102 Å²	102	74.9 Å²	74.9	52%	0.523	37%	0.367	S	S	.	.			trans	-91.3	-37.4	178.3	-60.4	165.6	0	0	0	110.2	R82 T245	R82-I84 PolarHBondContact O-N 3.47Å; I84-T245 HydrophobicContact CD1-CG2 3.5Å; I84-T245 VanDerWaalsContact CD1-CG2 3.5Å
85	T	81.4	Confident	87.2	Confident	24 Å²	24	77.9 Å²	77.9	15%	0.147	38%	0.375	C	S	.	.	S	Bend	trans	-98.1	149.7	-179.3	62.5	0	0	0	0	112.1	E87 Q88 H89 S172 I176	T85-E87 PolarHBondContact O-N 3.18Å; T85-Q88 PolarHBondContact O-N 3.02Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.39Å; T85-Q88 PolarHBondContact OG1-N 2.91Å; T85-H89 PolarHBondContact O-N 3Å; T85-H89 VanDerWaalsContact O-N 3.09Å; T85-S172 VanDerWaalsContact CG2-O 3.26Å; T85-S172 WeakPolarHBondContact CG2-O 3.28Å; T85-I176 HydrophobicContact CG2-CD1 3.94Å; T85-I176 HydrophobicContact CG2-CG1 4.34Å
86	V	82.7	Confident	87.3	Confident	106 Å²	106	76.6 Å²	76.6	64%	0.642	37%	0.367	S	S	*	.	H	α-helix	trans	-60.6	-37.7	175.5	177.9	0	0	0	0	110.7	H89 I90	V86-H89 WeakPolarHBondContact O-CB 3.44Å; V86-H89 PolarHBondContact O-N 3.3Å; V86-I90 HydrophobicContact CG1-CD1 3.74Å; V86-I90 HydrophobicContact CG1-CG1 4.38Å; V86-I90 WeakPolarHBondContact O-CG1 3.29Å; V86-I90 PolarHBondContact O-N 3.16Å
87	E	81	Confident	87.4	Confident	56 Å²	56	76.3 Å²	76.3	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-44.2	177.8	-63.5	-176.2	172.5	0	0	111.8	T85 H89 I90 G91	T85-E87 PolarHBondContact O-N 3.18Å; E87-H89 VanDerWaalsContact C-N 3.33Å; E87-H89 PolarHBondContact O-N 3.21Å; E87-I90 PolarHBondContact O-N 3.48Å; E87-G91 PolarHBondContact O-N 3.01Å
88	Q	83.5	Confident	87.6	Confident	39 Å²	39	71 Å²	71	18%	0.182	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-39.8	175.6	-172	68.7	-19.6	0	0	111.7	T85 G91 N92 S172	T85-Q88 PolarHBondContact O-N 3.02Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.39Å; T85-Q88 PolarHBondContact OG1-N 2.91Å; Q88-G91 PolarHBondContact O-N 2.84Å; Q88-N92 WeakPolarHBondContact O-CB 3.27Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3.34Å; Q88-N92 PolarHBondContact O-ND2 3.44Å; Q88-S172 WeakPolarHBondContact CB-OG 3.36Å; Q88-S172 PolarHBondContact OE1-OG 2.99Å
89	H	87.9	Confident	87.8	Confident	77 Å²	77	69 Å²	69	36%	0.356	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-48.2	177.9	-171.5	94.1	0	0	0	111.8	N80 S83 T85 V86 E87 I93	N80-H89 WeakPolarHBondContact CB-ND1 3.44Å; N80-H89 PolarHBondContact ND2-CE1 2.88Å; N80-H89 PolarHBondContact ND2-ND1 2.54Å; N80-H89 VanDerWaalsContact ND2-ND1 3.17Å; N80-H89 PolarHBondContact ND2-NE2 3.42Å; N80-H89 PolarHBondContact ND2-O 3.46Å; S83-H89 PolarHBondContact OG-ND1 2.83Å; T85-H89 PolarHBondContact O-N 3Å; T85-H89 VanDerWaalsContact O-N 3.09Å; V86-H89 WeakPolarHBondContact O-CB 3.44Å; V86-H89 PolarHBondContact O-N 3.3Å; E87-H89 VanDerWaalsContact C-N 3.33Å; E87-H89 PolarHBondContact O-N 3.21Å; H89-I93 VanDerWaalsContact CD2-CD1 3.48Å; H89-I93 WeakPolarHBondContact CD2-CD1 3.45Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.45Å; H89-I93 VanDerWaalsContact O-N 3.16Å
90	I	88.2	Confident	88.2	Confident	35 Å²	35	64.4 Å²	64.4	18%	0.179	32%	0.315	C	S	.	.	H	α-helix	trans	-69.3	-41	179.9	-66.5	173.2	0	0	0	110.7	W20 Y26 V86 E87 N92 I93 F94	W20-I90 HydrophobicContact CH2-CD1 3.35Å; W20-I90 HydrophobicContact CH2-CG2 4.29Å; W20-I90 HydrophobicContact CZ2-CD1 4.08Å; W20-I90 HydrophobicContact CZ3-CD1 4.09Å; Y26-I90 HydrophobicContact CD1-CG2 4.43Å; V86-I90 HydrophobicContact CG1-CD1 3.74Å; V86-I90 HydrophobicContact CG1-CG1 4.38Å; V86-I90 WeakPolarHBondContact O-CG1 3.29Å; V86-I90 PolarHBondContact O-N 3.16Å; E87-I90 PolarHBondContact O-N 3.48Å; I90-N92 PolarHBondContact O-N 2.92Å; I90-I93 PolarHBondContact O-N 3.41Å; I90-F94 HydrophobicContact CG2-CD2 3.78Å; I90-F94 HydrophobicContact CG2-CE1 4.44Å; I90-F94 HydrophobicContact CG2-CE2 3.42Å; I90-F94 VanDerWaalsContact CG2-CE2 3.42Å; I90-F94 HydrophobicContact CG2-CG 4.47Å; I90-F94 HydrophobicContact CG2-CZ 3.78Å; I90-F94 WeakPolarHBondContact O-CG 3.32Å; I90-F94 PolarHBondContact O-N 2.98Å
91	G	88	Confident	88.5	Confident	30 Å²	30	63.9 Å²	63.9	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-45.7	176.1	0	0	0	0	0	112.5	E87 Q88 F94 M95	E87-G91 PolarHBondContact O-N 3.01Å; Q88-G91 PolarHBondContact O-N 2.84Å; G91-F94 PolarHBondContact O-N 3.38Å; G91-M95 WeakPolarHBondContact O-CB 3.36Å; G91-M95 PolarHBondContact O-N 3.5Å
92	N	89.9	Confident	88.9	Confident	26 Å²	26	53.8 Å²	53.8	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-47.2	175.1	-75.2	-23.9	0	0	0	112	N80 Q88 I90 F94 M95 F96	N80-N92 WeakPolarHBondContact OD1-CB 3.4Å; N80-N92 PolarHBondContact OD1-ND2 3.33Å; Q88-N92 WeakPolarHBondContact O-CB 3.27Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3.34Å; Q88-N92 PolarHBondContact O-ND2 3.44Å; I90-N92 PolarHBondContact O-N 2.92Å; N92-F94 VanDerWaalsContact C-N 3.34Å; N92-F94 PolarHBondContact O-N 3Å; N92-M95 PolarHBondContact O-N 2.65Å; N92-F96 HydrophobicContact CB-CD2 4.22Å; N92-F96 HydrophobicContact CB-CE2 4.12Å; N92-F96 WeakPolarHBondContact O-CD2 3.46Å; N92-F96 PolarHBondContact O-N 3.08Å
93	I	92.6	Very high	89.7	Confident	52 Å²	52	47.6 Å²	47.6	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-55.2	-52.1	177.3	-69.7	166.5	0	0	0	109.8	V76 H89 I90 M95 S97	V76-I93 HydrophobicContact CG1-CG1 3.67Å; H89-I93 VanDerWaalsContact CD2-CD1 3.48Å; H89-I93 WeakPolarHBondContact CD2-CD1 3.45Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.45Å; H89-I93 VanDerWaalsContact O-N 3.16Å; I90-I93 PolarHBondContact O-N 3.41Å; I93-M95 PolarHBondContact O-N 2.89Å; I93-S97 WeakPolarHBondContact O-CB 3.36Å; I93-S97 PolarHBondContact O-N 3.41Å; I93-S97 PolarHBondContact O-OG 3.38Å
94	F	93.6	Very high	90.3	Very high	27 Å²	27	46.3 Å²	46.3	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-39.7	-178.9	-67.5	-22.1	0	0	0	113.1	Y26 A30 S33 I90 G91 N92 K98	Y26-F94 HydrophobicContact CD1-CE2 4.04Å; A30-F94 HydrophobicContact CB-CE1 4.02Å; A30-F94 HydrophobicContact CB-CZ 3.96Å; S33-F94 WeakPolarHBondContact OG-CA 3.07Å; S33-F94 VanDerWaalsContact OG-CD1 3.3Å; S33-F94 WeakPolarHBondContact OG-CD1 3.24Å; I90-F94 HydrophobicContact CG2-CD2 3.78Å; I90-F94 HydrophobicContact CG2-CE1 4.44Å; I90-F94 HydrophobicContact CG2-CE2 3.42Å; I90-F94 VanDerWaalsContact CG2-CE2 3.42Å; I90-F94 HydrophobicContact CG2-CG 4.47Å; I90-F94 HydrophobicContact CG2-CZ 3.78Å; I90-F94 WeakPolarHBondContact O-CG 3.32Å; I90-F94 PolarHBondContact O-N 2.98Å; G91-F94 PolarHBondContact O-N 3.38Å; N92-F94 VanDerWaalsContact C-N 3.34Å; N92-F94 PolarHBondContact O-N 3Å; F94-K98 VanDerWaalsContact O-CB 3.31Å; F94-K98 WeakPolarHBondContact O-CB 3.3Å; F94-K98 WeakPolarHBondContact O-CD 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.24Å; F94-K98 PolarHBondContact O-N 3.03Å
95	M	91.2	Very high	91.2	Very high	109 Å²	109	41.9 Å²	41.9	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-53.7	178.3	-175.8	-175.7	178.9	0	0	111.4	G91 N92 I93 K98 V99	G91-M95 WeakPolarHBondContact O-CB 3.36Å; G91-M95 PolarHBondContact O-N 3.5Å; N92-M95 PolarHBondContact O-N 2.65Å; I93-M95 PolarHBondContact O-N 2.89Å; M95-K98 PolarHBondContact O-N 3.41Å; M95-V99 WeakPolarHBondContact O-CG2 3.45Å; M95-V99 PolarHBondContact O-N 3.44Å; M95-V99 VanDerWaalsContact O-N 3.15Å
96	F	94.1	Very high	91.8	Very high	45 Å²	45	44.4 Å²	44.4	20%	0.197	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-38.4	-177.5	-68	-64	0	0	0	112	L72 I75 V76 K79 N92 K98 V99 A100	L72-F96 VanDerWaalsContact CD1-C 3.5Å; L72-F96 HydrophobicContact CD1-CB 3.81Å; L72-F96 WeakPolarHBondContact CD1-O 3.22Å; I75-F96 HydrophobicContact CG2-CD1 3.85Å; I75-F96 HydrophobicContact CG2-CE1 4.04Å; I75-F96 HydrophobicContact CG2-CG 4.14Å; I75-F96 HydrophobicContact CG2-CZ 4.5Å; V76-F96 HydrophobicContact CG2-CB 3.84Å; V76-F96 HydrophobicContact CG2-CD2 4.41Å; V76-F96 HydrophobicContact CG2-CG 4.47Å; K79-F96 HydrophobicContact CB-CE2 3.8Å; K79-F96 HydrophobicContact CB-CZ 4.35Å; K79-F96 HydrophobicContact CD-CE2 4.24Å; K79-F96 HydrophobicContact CD-CZ 3.96Å; K79-F96 HydrophobicContact CG-CD2 4.5Å; K79-F96 HydrophobicContact CG-CE2 3.62Å; K79-F96 HydrophobicContact CG-CZ 3.67Å; N92-F96 HydrophobicContact CB-CD2 4.22Å; N92-F96 HydrophobicContact CB-CE2 4.12Å; N92-F96 WeakPolarHBondContact O-CD2 3.46Å; N92-F96 PolarHBondContact O-N 3.08Å; F96-K98 PolarHBondContact O-N 3.47Å; F96-V99 PolarHBondContact O-N 3.37Å; F96-A100 PolarHBondContact O-N 3.2Å
97	S	95.8	Very high	92.2	Very high	15 Å²	15	45.1 Å²	45.1	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-39.2	175.1	-65.6	0	0	0	0	112.1	I93 V99 A100 N101	I93-S97 WeakPolarHBondContact O-CB 3.36Å; I93-S97 PolarHBondContact O-N 3.41Å; I93-S97 PolarHBondContact O-OG 3.38Å; S97-V99 VanDerWaalsContact C-N 3.35Å; S97-V99 PolarHBondContact O-N 3.07Å; S97-A100 PolarHBondContact O-N 2.97Å; S97-N101 WeakPolarHBondContact O-CB 3.42Å; S97-N101 PolarHBondContact O-N 3.36Å
98	K	95.6	Very high	92.6	Very high	31 Å²	31	43.2 Å²	43.2	14%	0.135	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-40.4	175.5	-74.9	168.9	-170.9	174.8	0	112	S29 L32 F94 M95 F96 A102 Y116 F123	S29-K98 PolarHBondContact OG-NZ 3.34Å; L32-K98 HydrophobicContact CB-CG 4.36Å; F94-K98 VanDerWaalsContact O-CB 3.31Å; F94-K98 WeakPolarHBondContact O-CB 3.3Å; F94-K98 WeakPolarHBondContact O-CD 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.24Å; F94-K98 PolarHBondContact O-N 3.03Å; M95-K98 PolarHBondContact O-N 3.41Å; F96-K98 PolarHBondContact O-N 3.47Å; K98-A102 PolarHBondContact O-N 2.89Å; K98-Y116 WeakPolarHBondContact CA-OH 3.46Å; K98-Y116 WeakPolarHBondContact O-CE1 3.26Å; K98-Y116 PolarHBondContact O-OH 3.34Å; K98-F123 VanDerWaalsContact NZ-CE1 3.28Å
99	V	95.4	Very high	93	Very high	80 Å²	80	43.9 Å²	43.9	49%	0.485	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-45.9	175.7	174	0	0	0	0	111.1	M95 F96 S97 A102 I103	M95-V99 WeakPolarHBondContact O-CG2 3.45Å; M95-V99 PolarHBondContact O-N 3.44Å; M95-V99 VanDerWaalsContact O-N 3.15Å; F96-V99 PolarHBondContact O-N 3.37Å; S97-V99 VanDerWaalsContact C-N 3.35Å; S97-V99 PolarHBondContact O-N 3.07Å; V99-A102 WeakPolarHBondContact O-CB 3.24Å; V99-A102 PolarHBondContact O-N 3.06Å; V99-I103 HydrophobicContact CG1-CD1 4.29Å; V99-I103 WeakPolarHBondContact O-CG1 3.46Å; V99-I103 PolarHBondContact O-N 2.98Å; V99-I103 VanDerWaalsContact O-N 3.14Å
100	A	95.7	Very high	93.3	Very high	8 Å²	8	45.5 Å²	45.5	7%	0.066	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-43	177.1	0	0	0	0	0	112.1	L72 F96 S97 A102 I103 L104	L72-A100 HydrophobicContact CB-CB 4.2Å; L72-A100 HydrophobicContact CD1-CB 3.91Å; L72-A100 HydrophobicContact CD2-CB 3.8Å; L72-A100 HydrophobicContact CG-CB 4.18Å; F96-A100 PolarHBondContact O-N 3.2Å; S97-A100 PolarHBondContact O-N 2.97Å; A100-A102 VanDerWaalsContact C-N 3.31Å; A100-A102 PolarHBondContact O-N 2.96Å; A100-I103 WeakPolarHBondContact O-CB 3.14Å; A100-I103 PolarHBondContact O-N 3.41Å; A100-I103 VanDerWaalsContact O-N 3.17Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 3.33Å
101	N	96.3	Very high	93.6	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-39.3	174.9	-78.9	-18.2	0	0	0	112.3	L32 S33 F36 S97 I103 L104 F105 Y116	L32-N101 PolarHBondContact O-ND2 2.92Å; S33-N101 PolarHBondContact O-ND2 3.14Å; F36-N101 HydrophobicContact CB-CB 4.42Å; F36-N101 WeakPolarHBondContact CB-OD1 3.37Å; S97-N101 WeakPolarHBondContact O-CB 3.42Å; S97-N101 PolarHBondContact O-N 3.36Å; N101-I103 PolarHBondContact O-N 3.37Å; N101-L104 PolarHBondContact O-N 3.11Å; N101-F105 HydrophobicContact CB-CD2 4.37Å; N101-F105 HydrophobicContact CB-CE2 4.39Å; N101-F105 WeakPolarHBondContact O-CB 3.38Å; N101-F105 WeakPolarHBondContact O-CD2 3.37Å; N101-F105 PolarHBondContact O-N 3.48Å; N101-Y116 HydrophobicContact CB-CE1 3.84Å; N101-Y116 HydrophobicContact CB-CE2 4.13Å; N101-Y116 WeakPolarHBondContact CB-OH 3.32Å
102	A	96.4	Very high	93.8	Very high	16 Å²	16	54.7 Å²	54.7	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-50.2	174	0	0	0	0	0	110.5	K98 V99 A100 L104 F105 F106 Y116 I117	K98-A102 PolarHBondContact O-N 2.89Å; V99-A102 WeakPolarHBondContact O-CB 3.24Å; V99-A102 PolarHBondContact O-N 3.06Å; A100-A102 VanDerWaalsContact C-N 3.31Å; A100-A102 PolarHBondContact O-N 2.96Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 2.99Å; A102-F105 PolarHBondContact O-N 3.4Å; A102-F106 WeakPolarHBondContact O-CD2 3.46Å; A102-F106 PolarHBondContact O-N 3.05Å; A102-Y116 HydrophobicContact CB-CD1 3.97Å; A102-Y116 HydrophobicContact CB-CE1 4.02Å; A102-I117 HydrophobicContact CB-CG1 4.37Å
103	I	95.3	Very high	94	Very high	92 Å²	92	53.5 Å²	53.5	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-58	-45.2	178	-62.6	167.1	0	0	0	111.2	I68 V99 A100 N101 F106 R107	I68-I103 HydrophobicContact CD1-CG2 4.26Å; V99-I103 HydrophobicContact CG1-CD1 4.29Å; V99-I103 WeakPolarHBondContact O-CG1 3.46Å; V99-I103 PolarHBondContact O-N 2.98Å; V99-I103 VanDerWaalsContact O-N 3.14Å; A100-I103 WeakPolarHBondContact O-CB 3.14Å; A100-I103 PolarHBondContact O-N 3.41Å; A100-I103 VanDerWaalsContact O-N 3.17Å; N101-I103 PolarHBondContact O-N 3.37Å; I103-F106 PolarHBondContact O-N 3.11Å; I103-R107 WeakPolarHBondContact O-CB 3.01Å; I103-R107 PolarHBondContact O-N 3.48Å
104	L	94.5	Very high	94.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-43.6	179.3	-71.4	165.6	0	0	0	111.9	F36 E65 I68 L69 A100 N101 A102 R107 L108	F36-L104 HydrophobicContact CB-CD1 4.37Å; F36-L104 HydrophobicContact CD1-CB 4Å; F36-L104 HydrophobicContact CD1-CD1 3.63Å; F36-L104 HydrophobicContact CD1-CD2 4.44Å; F36-L104 HydrophobicContact CD1-CG 4.24Å; F36-L104 HydrophobicContact CD2-CB 3.54Å; F36-L104 HydrophobicContact CE1-CB 4.03Å; F36-L104 HydrophobicContact CE1-CD1 4.03Å; F36-L104 HydrophobicContact CE1-CD2 3.99Å; F36-L104 HydrophobicContact CE1-CG 4.24Å; F36-L104 HydrophobicContact CE2-CB 3.6Å; F36-L104 HydrophobicContact CG-CB 3.75Å; F36-L104 HydrophobicContact CG-CD1 3.94Å; F36-L104 HydrophobicContact CG-CG 4.41Å; F36-L104 HydrophobicContact CZ-CB 3.84Å; F36-L104 HydrophobicContact CZ-CD2 4.18Å; F36-L104 HydrophobicContact CZ-CG 4.45Å; E65-L104 HydrophobicContact CB-CD2 3.91Å; E65-L104 HydrophobicContact CG-CD2 3.95Å; I68-L104 HydrophobicContact CB-CD2 3.97Å; I68-L104 HydrophobicContact CD1-CD2 3.81Å; I68-L104 HydrophobicContact CG2-CD1 4.31Å; I68-L104 HydrophobicContact CG2-CD2 3.87Å; I68-L104 HydrophobicContact CG2-CG 3.94Å; L69-L104 HydrophobicContact CD2-CD1 3.92Å; L69-L104 HydrophobicContact CG-CD1 4.4Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 3.33Å; N101-L104 PolarHBondContact O-N 3.11Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 2.99Å; L104-R107 WeakPolarHBondContact O-CB 3.21Å; L104-R107 PolarHBondContact O-N 3.13Å; L104-L108 PolarHBondContact O-N 3.41Å
105	F	95.3	Very high	94.4	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-40.2	176.6	-79.7	-61.8	0	0	0	112.7	A35 F36 V39 N101 A102 R107 L108 D109 M112 Y116	A35-F105 HydrophobicContact CB-CE2 4.07Å; A35-F105 HydrophobicContact CB-CZ 4.26Å; F36-F105 HydrophobicContact CB-CE2 3.99Å; F36-F105 HydrophobicContact CB-CZ 4.08Å; F36-F105 AromaticContact CD2-CD1 3.95Å; F36-F105 HydrophobicContact CD2-CD1 3.95Å; F36-F105 HydrophobicContact CD2-CD2 4.33Å; F36-F105 AromaticContact CD2-CE1 3.9Å; F36-F105 HydrophobicContact CD2-CE1 3.9Å; F36-F105 HydrophobicContact CD2-CE2 4.27Å; F36-F105 HydrophobicContact CD2-CG 4.16Å; F36-F105 HydrophobicContact CD2-CZ 4.07Å; F36-F105 HydrophobicContact CE2-CD1 4.48Å; V39-F105 HydrophobicContact CB-CE1 4.31Å; V39-F105 HydrophobicContact CB-CZ 4.39Å; V39-F105 HydrophobicContact CG1-CE1 4.26Å; V39-F105 HydrophobicContact CG2-CE1 4.22Å; V39-F105 HydrophobicContact CG2-CZ 4.09Å; N101-F105 HydrophobicContact CB-CD2 4.37Å; N101-F105 HydrophobicContact CB-CE2 4.39Å; N101-F105 WeakPolarHBondContact O-CB 3.38Å; N101-F105 WeakPolarHBondContact O-CD2 3.37Å; N101-F105 PolarHBondContact O-N 3.48Å; A102-F105 PolarHBondContact O-N 3.4Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 3.23Å; F105-L108 HydrophobicContact CD1-CD2 4.49Å; F105-L108 PolarHBondContact O-N 3.4Å; F105-D109 CarbonylContact O-C 3.5Å; F105-D109 PolarHBondContact O-N 3.06Å; F105-M112 HydrophobicContact CD1-CB 4.11Å; F105-Y116 HydrophobicContact CD2-CD1 4.07Å; F105-Y116 AromaticContact CD2-CD2 3.61Å; F105-Y116 HydrophobicContact CD2-CD2 3.61Å; F105-Y116 HydrophobicContact CD2-CE2 4.25Å; F105-Y116 AromaticContact CD2-CG 3.51Å; F105-Y116 HydrophobicContact CD2-CG 3.51Å; F105-Y116 AromaticContact CE2-CD2 3.46Å; F105-Y116 HydrophobicContact CE2-CD2 3.46Å; F105-Y116 VanDerWaalsContact CE2-CD2 3.46Å; F105-Y116 AromaticContact CE2-CE2 3.92Å; F105-Y116 HydrophobicContact CE2-CE2 3.92Å; F105-Y116 AromaticContact CE2-CG 3.9Å; F105-Y116 HydrophobicContact CE2-CG 3.9Å; F105-Y116 HydrophobicContact CG-CG 4.42Å; F105-Y116 HydrophobicContact CZ-CD2 4.5Å
106	F	94.7	Very high	94.6	Very high	78 Å²	78	53.9 Å²	53.9	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-34.9	173.8	-87.6	-74.4	0	0	0	112.8	A102 I103 I110 L114 I117	A102-F106 WeakPolarHBondContact O-CD2 3.46Å; A102-F106 PolarHBondContact O-N 3.05Å; I103-F106 PolarHBondContact O-N 3.11Å; F106-I110 HydrophobicContact CD1-CG1 4.17Å; F106-I110 HydrophobicContact CE1-CG1 4.18Å; F106-L114 HydrophobicContact CE1-CD2 4.2Å; F106-L114 HydrophobicContact CE1-CG 4.18Å; F106-L114 HydrophobicContact CZ-CD2 4.1Å; F106-L114 HydrophobicContact CZ-CG 4.35Å; F106-I117 HydrophobicContact CE2-CD1 3.42Å; F106-I117 VanDerWaalsContact CE2-CD1 3.42Å; F106-I117 HydrophobicContact CE2-CG1 3.91Å; F106-I117 HydrophobicContact CZ-CD1 3.81Å; F106-I117 HydrophobicContact CZ-CG1 4.42Å
107	R	91.1	Very high	94.7	Very high	120 Å²	120	54.9 Å²	54.9	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-39.9	175.4	-173	-170.2	168	78.5	17	111.5	I103 L104 F105	I103-R107 WeakPolarHBondContact O-CB 3.01Å; I103-R107 PolarHBondContact O-N 3.48Å; L104-R107 WeakPolarHBondContact O-CB 3.21Å; L104-R107 PolarHBondContact O-N 3.13Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 3.23Å
108	L	89.8	Confident	94.7	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-55	178.5	179.9	62	0	0	0	111.7	F36 L49 P50 L104 F105	F36-L108 HydrophobicContact CE2-CB 4.48Å; F36-L108 HydrophobicContact CE2-CD2 4.3Å; L49-L108 HydrophobicContact CD1-CD2 4.36Å; L49-L108 HydrophobicContact CD2-CD2 4.16Å; P50-L108 HydrophobicContact CG-CD1 4.19Å; P50-L108 HydrophobicContact CG-CG 4.38Å; P50-L108 VanDerWaalsContact O-CD1 3.29Å; P50-L108 WeakPolarHBondContact O-CD1 3.42Å; L104-L108 PolarHBondContact O-N 3.41Å; F105-L108 HydrophobicContact CD1-CD2 4.49Å; F105-L108 PolarHBondContact O-N 3.4Å
109	D	91.7	Very high	94.7	Very high	52 Å²	52	61 Å²	61	28%	0.278	30%	0.301	S	S	.	.			trans	-160.8	133.4	175.7	-170.9	-59.9	0	0	0	109.6	P50 F105 R111 M112 G113	P50-D109 HydrophobicContact CG-CB 4.21Å; F105-D109 CarbonylContact O-C 3.5Å; F105-D109 PolarHBondContact O-N 3.06Å; D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact O-N 3.15Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.15Å; D109-R111 WeakPolarHBondContact OD1-CG 3.39Å; D109-R111 PolarHBondContact OD1-N 3.11Å; D109-M112 HydrophobicContact CB-CB 4.3Å; D109-M112 HydrophobicContact CB-CG 4.04Å; D109-M112 PolarHBondContact O-N 3Å; D109-G113 PolarHBondContact O-N 3.02Å
110	I	93.3	Very high	94.7	Very high	112 Å²	112	58.2 Å²	58.2	57%	0.574	29%	0.285	S	S	*	.	H	α-helix	trans	-55.8	-34.7	-179.9	-165	166.2	0	0	0	113	F106 G113 L114	F106-I110 HydrophobicContact CD1-CG1 4.17Å; F106-I110 HydrophobicContact CE1-CG1 4.18Å; I110-G113 PolarHBondContact O-N 2.81Å; I110-L114 VanDerWaalsContact O-CG 3.32Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 2.84Å
111	R	94.6	Very high	94.5	Very high	197 Å²	197	62.3 Å²	62.3	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-67.5	-41.1	178.8	-59.6	174.7	178.6	-176.4	0.8	111.2	D109 L114 L115	D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact O-N 3.15Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.15Å; D109-R111 WeakPolarHBondContact OD1-CG 3.39Å; D109-R111 PolarHBondContact OD1-N 3.11Å; R111-L114 PolarHBondContact O-N 2.87Å; R111-L115 WeakPolarHBondContact O-CB 3.29Å; R111-L115 PolarHBondContact O-N 3.44Å
112	M	92.8	Very high	94.4	Very high	61 Å²	61	65.8 Å²	65.8	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-69.3	-38.5	177.1	-64.6	-62.2	-74.5	0	0	111.2	F105 D109 L115 Y116	F105-M112 HydrophobicContact CD1-CB 4.11Å; D109-M112 HydrophobicContact CB-CB 4.3Å; D109-M112 HydrophobicContact CB-CG 4.04Å; D109-M112 PolarHBondContact O-N 3Å; M112-L115 PolarHBondContact O-N 2.97Å; M112-Y116 WeakPolarHBondContact O-CB 3.44Å; M112-Y116 PolarHBondContact O-N 2.81Å
113	G	95.3	Very high	94.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-47.8	172.4	0	0	0	0	0	112.7	D109 I110 Y116 I117	D109-G113 PolarHBondContact O-N 3.02Å; I110-G113 PolarHBondContact O-N 2.81Å; G113-Y116 PolarHBondContact O-N 3.38Å; G113-I117 PolarHBondContact O-N 3.43Å
114	L	96.6	Very high	93.8	Very high	96 Å²	96	67 Å²	67	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-47	176.3	-71	172.7	0	0	0	111.9	F106 I110 R111 Y116 I117 T118	F106-L114 HydrophobicContact CE1-CD2 4.2Å; F106-L114 HydrophobicContact CE1-CG 4.18Å; F106-L114 HydrophobicContact CZ-CD2 4.1Å; F106-L114 HydrophobicContact CZ-CG 4.35Å; I110-L114 VanDerWaalsContact O-CG 3.32Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 2.84Å; R111-L114 PolarHBondContact O-N 2.87Å; L114-Y116 VanDerWaalsContact C-N 3.32Å; L114-Y116 PolarHBondContact O-N 3.39Å; L114-I117 PolarHBondContact O-N 2.81Å; L114-T118 PolarHBondContact O-N 3.4Å; L114-T118 PolarHBondContact O-OG1 2.78Å; L114-T118 VanDerWaalsContact O-OG1 3.08Å
115	L	95.9	Very high	93.4	Very high	94 Å²	94	74.2 Å²	74.2	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-45	177.1	179.2	142.6	0	0	0	111.6	R111 M112 T118 L119	R111-L115 WeakPolarHBondContact O-CB 3.29Å; R111-L115 PolarHBondContact O-N 3.44Å; M112-L115 PolarHBondContact O-N 2.97Å; L115-T118 PolarHBondContact O-N 3.08Å; L115-L119 HydrophobicContact CD2-CD1 3.67Å; L115-L119 HydrophobicContact CD2-CG 4.38Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.32Å
116	Y	96.9	Very high	92.9	Very high	6 Å²	6	78.6 Å²	78.6	2%	0.024	39%	0.394	C	S	.	.	H	α-helix	trans	-64.6	-41.4	178.7	-179.8	-95.2	0	0	0	112.5	L32 A35 K98 N101 A102 F105 M112 G113 L114 L119 C120	L32-Y116 HydrophobicContact CD2-CE2 4.11Å; L32-Y116 PolarHBondContact O-OH 3.04Å; A35-Y116 HydrophobicContact CB-CD2 4.41Å; A35-Y116 HydrophobicContact CB-CE2 3.91Å; K98-Y116 WeakPolarHBondContact CA-OH 3.46Å; K98-Y116 WeakPolarHBondContact O-CE1 3.26Å; K98-Y116 PolarHBondContact O-OH 3.34Å; N101-Y116 HydrophobicContact CB-CE1 3.84Å; N101-Y116 HydrophobicContact CB-CE2 4.13Å; N101-Y116 WeakPolarHBondContact CB-OH 3.32Å; A102-Y116 HydrophobicContact CB-CD1 3.97Å; A102-Y116 HydrophobicContact CB-CE1 4.02Å; F105-Y116 HydrophobicContact CD2-CD1 4.07Å; F105-Y116 AromaticContact CD2-CD2 3.61Å; F105-Y116 HydrophobicContact CD2-CD2 3.61Å; F105-Y116 HydrophobicContact CD2-CE2 4.25Å; F105-Y116 AromaticContact CD2-CG 3.51Å; F105-Y116 HydrophobicContact CD2-CG 3.51Å; F105-Y116 AromaticContact CE2-CD2 3.46Å; F105-Y116 HydrophobicContact CE2-CD2 3.46Å; F105-Y116 VanDerWaalsContact CE2-CD2 3.46Å; F105-Y116 AromaticContact CE2-CE2 3.92Å; F105-Y116 HydrophobicContact CE2-CE2 3.92Å; F105-Y116 AromaticContact CE2-CG 3.9Å; F105-Y116 HydrophobicContact CE2-CG 3.9Å; F105-Y116 HydrophobicContact CG-CG 4.42Å; F105-Y116 HydrophobicContact CZ-CD2 4.5Å; M112-Y116 WeakPolarHBondContact O-CB 3.44Å; M112-Y116 PolarHBondContact O-N 2.81Å; G113-Y116 PolarHBondContact O-N 3.38Å; L114-Y116 VanDerWaalsContact C-N 3.32Å; L114-Y116 PolarHBondContact O-N 3.39Å; Y116-L119 PolarHBondContact O-N 3.31Å; Y116-C120 WeakPolarHBondContact CE1-SG 3.15Å; Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 PolarHBondContact O-N 2.84Å; Y116-C120 PolarHBondContact O-SG 3.44Å
117	I	96.2	Very high	92.4	Very high	67 Å²	67	75.9 Å²	75.9	34%	0.344	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-45.3	173.3	-77.2	-169	0	0	0	110.8	A102 F106 G113 L114 L119 C120 I121	A102-I117 HydrophobicContact CB-CG1 4.37Å; F106-I117 HydrophobicContact CE2-CD1 3.42Å; F106-I117 VanDerWaalsContact CE2-CD1 3.42Å; F106-I117 HydrophobicContact CE2-CG1 3.91Å; F106-I117 HydrophobicContact CZ-CD1 3.81Å; F106-I117 HydrophobicContact CZ-CG1 4.42Å; G113-I117 PolarHBondContact O-N 3.43Å; L114-I117 PolarHBondContact O-N 2.81Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 3.49Å; I117-C120 WeakPolarHBondContact O-CB 3.46Å; I117-C120 PolarHBondContact O-N 3.43Å; I117-C120 VanDerWaalsContact O-N 3.14Å; I117-I121 HydrophobicContact CG2-CD1 3.71Å; I117-I121 HydrophobicContact CG2-CG1 4.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.22Å; I117-I121 PolarHBondContact O-N 3.28Å
118	T	96	Very high	91.8	Very high	85 Å²	85	78.2 Å²	78.2	52%	0.521	40%	0.398	S	S	.	.	H	α-helix	trans	-58.7	-44.4	177.3	-58.1	0	0	0	0	111.2	L114 L115 C120 I121 V122	L114-T118 PolarHBondContact O-N 3.4Å; L114-T118 PolarHBondContact O-OG1 2.78Å; L114-T118 VanDerWaalsContact O-OG1 3.08Å; L115-T118 PolarHBondContact O-N 3.08Å; T118-C120 VanDerWaalsContact C-N 3.33Å; T118-C120 PolarHBondContact O-N 2.78Å; T118-I121 PolarHBondContact O-N 3.08Å; T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 WeakPolarHBondContact O-CG2 3.47Å; T118-V122 PolarHBondContact O-N 2.93Å
119	L	95.4	Very high	91.3	Very high	88 Å²	88	79.3 Å²	79.3	46%	0.461	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-40.8	175.3	-71.6	175	0	0	0	112.3	L32 L115 Y116 I117 V122 F123	L32-L119 HydrophobicContact CD2-CB 4.35Å; L115-L119 HydrophobicContact CD2-CD1 3.67Å; L115-L119 HydrophobicContact CD2-CG 4.38Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.32Å; Y116-L119 PolarHBondContact O-N 3.31Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 3.49Å; L119-V122 PolarHBondContact O-N 3.48Å; L119-F123 VanDerWaalsContact O-CB 3.31Å; L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 3.42Å
120	C	94.4	Very high	90.6	Very high	22 Å²	22	78 Å²	78	15%	0.149	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-40.4	175.5	-78.5	0	0	0	0	112.2	Y116 I117 T118 F123 L124	Y116-C120 WeakPolarHBondContact CE1-SG 3.15Å; Y116-C120 VanDerWaalsContact CZ-SG 3.53Å; Y116-C120 PolarHBondContact O-N 2.84Å; Y116-C120 PolarHBondContact O-SG 3.44Å; I117-C120 WeakPolarHBondContact O-CB 3.46Å; I117-C120 PolarHBondContact O-N 3.43Å; I117-C120 VanDerWaalsContact O-N 3.14Å; T118-C120 VanDerWaalsContact C-N 3.33Å; T118-C120 PolarHBondContact O-N 2.78Å; C120-F123 PolarHBondContact O-N 3.43Å; C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.22Å; C120-L124 PolarHBondContact O-N 2.87Å
121	I	92.7	Very high	90	Very high	94 Å²	94	77.3 Å²	77.3	48%	0.482	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-46.8	176.1	-67.5	167.8	0	0	0	110.6	I117 T118 F123 L124 M125	I117-I121 HydrophobicContact CG2-CD1 3.71Å; I117-I121 HydrophobicContact CG2-CG1 4.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.22Å; I117-I121 PolarHBondContact O-N 3.28Å; T118-I121 PolarHBondContact O-N 3.08Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 2.92Å; I121-L124 PolarHBondContact O-N 3.04Å; I121-M125 WeakPolarHBondContact O-CG 3.34Å; I121-M125 PolarHBondContact O-N 2.87Å
122	V	92.9	Very high	89.4	Confident	77 Å²	77	70.2 Å²	70.2	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-57.2	-47.6	175.9	171.5	0	0	0	0	110	T118 L119 L124 M125 T126	T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 WeakPolarHBondContact O-CG2 3.47Å; T118-V122 PolarHBondContact O-N 2.93Å; L119-V122 PolarHBondContact O-N 3.48Å; V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 PolarHBondContact O-N 3.24Å; V122-M125 PolarHBondContact O-N 3.01Å; V122-M125 VanDerWaalsContact O-N 3.08Å; V122-T126 HydrophobicContact CG1-CG2 4.1Å; V122-T126 WeakPolarHBondContact O-CG2 3.4Å; V122-T126 PolarHBondContact O-N 3.33Å; V122-T126 PolarHBondContact O-OG1 3.28Å
123	F	91.4	Very high	88.8	Confident	11 Å²	11	75.4 Å²	75.4	5%	0.048	40%	0.396	C	S	.	.	H	α-helix	trans	-56.5	-45.1	176.6	173.7	-94.2	0	0	0	112.7	Y25 L28 S29 L32 K98 L119 C120 I121 M125 T126 C127	Y25-F123 HydrophobicContact CD2-CE1 4.16Å; Y25-F123 HydrophobicContact CD2-CE2 4.35Å; Y25-F123 AromaticContact CD2-CZ 3.49Å; Y25-F123 HydrophobicContact CD2-CZ 3.49Å; Y25-F123 VanDerWaalsContact CD2-CZ 3.49Å; Y25-F123 AromaticContact CE2-CE1 3.8Å; Y25-F123 HydrophobicContact CE2-CE1 3.8Å; Y25-F123 AromaticContact CE2-CZ 3.59Å; Y25-F123 HydrophobicContact CE2-CZ 3.59Å; Y25-F123 HydrophobicContact CG-CZ 4.29Å; L28-F123 HydrophobicContact CB-CD2 3.87Å; L28-F123 HydrophobicContact CB-CE2 3.5Å; L28-F123 HydrophobicContact CD1-CD2 4.39Å; L28-F123 HydrophobicContact CD1-CE2 4.28Å; S29-F123 WeakPolarHBondContact OG-CE1 3.29Å; S29-F123 WeakPolarHBondContact OG-CZ 3.44Å; L32-F123 HydrophobicContact CD1-CB 3.7Å; L32-F123 HydrophobicContact CD1-CD1 4.02Å; L32-F123 HydrophobicContact CD1-CD2 3.97Å; L32-F123 HydrophobicContact CD1-CG 3.58Å; K98-F123 VanDerWaalsContact NZ-CE1 3.28Å; L119-F123 VanDerWaalsContact O-CB 3.31Å; L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 3.42Å; C120-F123 PolarHBondContact O-N 3.43Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 2.92Å; F123-M125 VanDerWaalsContact C-N 3.26Å; F123-M125 PolarHBondContact O-N 2.95Å; F123-T126 PolarHBondContact O-N 3.41Å; F123-C127 HydrophobicContact CD2-CB 3.81Å; F123-C127 HydrophobicContact CE2-CB 3.45Å; F123-C127 VanDerWaalsContact CE2-CB 3.45Å; F123-C127 HydrophobicContact CG-CB 4.49Å; F123-C127 HydrophobicContact CZ-CB 3.86Å; F123-C127 WeakPolarHBondContact O-CA 3.38Å; F123-C127 WeakPolarHBondContact O-CB 3.4Å; F123-C127 PolarHBondContact O-N 2.94Å
124	L	87.3	Confident	88.4	Confident	122 Å²	122	76.5 Å²	76.5	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-61.7	-35	177.3	-72.7	171.1	0	0	0	112.5	C120 I121 V122	C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.22Å; C120-L124 PolarHBondContact O-N 2.87Å; I121-L124 PolarHBondContact O-N 3.04Å; V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 PolarHBondContact O-N 3.24Å
125	M	86.1	Confident	88.1	Confident	151 Å²	151	75.6 Å²	75.6	74%	0.744	41%	0.408	S	S	*	.	H	α-helix	trans	-77.4	-39.3	179.3	-66	-63.9	-74.4	0	0	112.5	I121 V122 F123	I121-M125 WeakPolarHBondContact O-CG 3.34Å; I121-M125 PolarHBondContact O-N 2.87Å; V122-M125 PolarHBondContact O-N 3.01Å; V122-M125 VanDerWaalsContact O-N 3.08Å; F123-M125 VanDerWaalsContact C-N 3.26Å; F123-M125 PolarHBondContact O-N 2.95Å
126	T	85.6	Confident	88	Confident	100 Å²	100	73.8 Å²	73.8	61%	0.613	40%	0.397	S	S	*	.	H	α-helix	trans	-87.8	-34.1	-174.6	58.2	0	0	0	0	113.4	V122 F123	V122-T126 HydrophobicContact CG1-CG2 4.1Å; V122-T126 WeakPolarHBondContact O-CG2 3.4Å; V122-T126 PolarHBondContact O-N 3.33Å; V122-T126 PolarHBondContact O-OG1 3.28Å; F123-T126 PolarHBondContact O-N 3.41Å
127	C	84.1	Confident	87.8	Confident	21 Å²	21	80.6 Å²	80.6	14%	0.142	42%	0.423	C	S	.	.			trans	-117.3	97.2	-171.9	-61	0	0	0	0	110.3	Y25 F123	Y25-C127 HydrophobicContact CD2-CB 4.17Å; F123-C127 HydrophobicContact CD2-CB 3.81Å; F123-C127 HydrophobicContact CE2-CB 3.45Å; F123-C127 VanDerWaalsContact CE2-CB 3.45Å; F123-C127 HydrophobicContact CG-CB 4.49Å; F123-C127 HydrophobicContact CZ-CB 3.86Å; F123-C127 WeakPolarHBondContact O-CA 3.38Å; F123-C127 WeakPolarHBondContact O-CB 3.4Å; F123-C127 PolarHBondContact O-N 2.94Å
128	K	79.4	Confident	87.8	Confident	169 Å²	169	78.4 Å²	78.4	74%	0.735	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-75.5	145.4	170.3	-66.8	-165.1	173.6	75.7	0	110.5
129	P	78.4	Confident	87.8	Confident	41 Å²	41	78.1 Å²	78.1	27%	0.266	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-59.5	143.4	170.6	26.8	-33.9	0	0	0	109.6	Y25	Y25-P129 HydrophobicContact CE1-CB 4.16Å; Y25-P129 HydrophobicContact CE2-CB 4.08Å
130	P	77.6	Confident	87.8	Confident	25 Å²	25	79.7 Å²	79.7	16%	0.162	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-67.3	139.3	178.9	31.2	-37	0	0	0	110.3	Q23 Y26	Q23-P130 VanDerWaalsContact NE2-CB 3.31Å; Y26-P130 HydrophobicContact CE2-CG 3.58Å; Y26-P130 WeakPolarHBondContact OH-CG 3.48Å
131	L	80	Confident	87.8	Confident	97 Å²	97	79 Å²	79	51%	0.508	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-77.2	153.6	168.6	-75.3	148.1	0	0	0	109.5	M133	L131-M133 WeakPolarHBondContact O-CG 3.43Å; L131-M133 PolarHBondContact O-N 3.43Å
132	Y	82.7	Confident	87.9	Confident	47 Å²	47	77.2 Å²	77.2	18%	0.184	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61	127.2	171	179.7	-94.7	0	0	0	110	G134 P175 A178	Y132-G134 VanDerWaalsContact CE1-CA 3.43Å; Y132-G134 VanDerWaalsContact CE1-N 3.3Å; Y132-P175 HydrophobicContact CD2-CB 3.76Å; Y132-P175 HydrophobicContact CD2-CG 4.5Å; Y132-P175 HydrophobicContact CE2-CB 3.6Å; Y132-A178 HydrophobicContact CD1-CB 4.12Å; Y132-A178 HydrophobicContact CE1-CB 3.39Å
133	M	80.2	Confident	87.8	Confident	170 Å²	170	75.7 Å²	75.7	84%	0.837	38%	0.379	S	S	*	.			trans	-123.6	25.8	-178.6	-60.8	-66.7	-78.8	0	0	111.9	L131	L131-M133 WeakPolarHBondContact O-CG 3.43Å; L131-M133 PolarHBondContact O-N 3.43Å
134	G	85.6	Confident	87.7	Confident	24 Å²	24	82.1 Å²	82.1	25%	0.247	41%	0.407	C	S	.	.	S	Bend	trans	-78.9	177.6	177.9	0	0	0	0	0	113	Y132 E136	Y132-G134 VanDerWaalsContact CE1-CA 3.43Å; Y132-G134 VanDerWaalsContact CE1-N 3.3Å; G134-E136 PolarHBondContact O-N 3.14Å
135	P	90.3	Very high	87.9	Confident	76 Å²	76	78.1 Å²	78.1	49%	0.494	39%	0.388	S	S	.	.			trans	-62.7	134.4	171.9	28.4	-32.9	0	0	0	109.6	L182	P135-L182 HydrophobicContact CB-CD1 4.11Å; P135-L182 HydrophobicContact CG-CD1 4.05Å; P135-L182 WeakPolarHBondContact O-CD1 3.11Å
136	E	93.9	Very high	88.2	Confident	56 Å²	56	71 Å²	71	26%	0.262	35%	0.353	S	S	.	.			trans	-149.4	150.9	175.5	61.2	-178.5	-162	0	0	109.7	G134 I138 Y140 A178	G134-E136 PolarHBondContact O-N 3.14Å; E136-I138 HydrophobicContact CB-CD1 3.97Å; E136-I138 HydrophobicContact CB-CG1 4.21Å; E136-I138 HydrophobicContact CG-CD1 4.44Å; E136-Y140 VanDerWaalsContact OE1-CE2 3.24Å; E136-Y140 WeakPolarHBondContact OE1-CE2 3.32Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.3Å; E136-Y140 PolarHBondContact OE1-OH 3.48Å; E136-A178 HydrophobicContact CB-CB 3.85Å
137	Y	94	Very high	88.5	Confident	150 Å²	150	68.6 Å²	68.6	59%	0.588	34%	0.336	S	S	*	.			trans	-119	76.9	170.8	-162.1	-73	0	0	0	108.5	S181 N185	Y137-S181 PolarHBondContact N-OG 3.02Å; Y137-S181 VanDerWaalsContact N-OG 3.08Å; Y137-S181 WeakPolarHBondContact O-CB 3.39Å; Y137-N185 HydrophobicContact CD1-CB 3.97Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.22Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y137-N185 VanDerWaalsContact CE1-OD1 3.29Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.25Å; Y137-N185 HydrophobicContact CG-CB 4.33Å
138	I	96	Very high	88.8	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.108	36%	0.358	C	S	.	.			trans	-130.5	131.9	-173.8	-60.7	170.1	0	0	0	109.1	E136 Y177 S181 F191 K193	E136-I138 HydrophobicContact CB-CD1 3.97Å; E136-I138 HydrophobicContact CB-CG1 4.21Å; E136-I138 HydrophobicContact CG-CD1 4.44Å; I138-Y177 HydrophobicContact CD1-CD1 3.45Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.45Å; I138-Y177 HydrophobicContact CD1-CE1 3.63Å; I138-Y177 HydrophobicContact CG1-CD1 4.37Å; I138-Y177 HydrophobicContact CG1-CE1 4.09Å; I138-Y177 HydrophobicContact CG2-CE1 4.18Å; I138-S181 WeakPolarHBondContact CG1-OG 3.49Å; I138-F191 HydrophobicContact CG1-CB 4.22Å; I138-K193 HydrophobicContact CD1-CD 4.02Å; I138-K193 HydrophobicContact CG2-CB 3.86Å; I138-K193 HydrophobicContact CG2-CD 3.82Å; I138-K193 HydrophobicContact CG2-CG 3.7Å
139	K	95.5	Very high	89.5	Confident	79 Å²	79	67.5 Å²	67.5	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	172.8	-170.6	167.6	-176.7	165.1	0	110.4	F141 E149 W158 F191 G192 K193	K139-F141 HydrophobicContact CB-CZ 4.44Å; K139-F141 HydrophobicContact CD-CE1 3.83Å; K139-F141 HydrophobicContact CD-CZ 4.31Å; K139-F141 HydrophobicContact CG-CD1 4.43Å; K139-F141 HydrophobicContact CG-CE1 3.97Å; K139-F141 HydrophobicContact CG-CZ 4.37Å; K139-E149 IonicContact NZ-OE1 2.76Å; K139-E149 PolarHBondContact NZ-OE1 3.31Å; K139-E149 IonicContact NZ-OE2 2.7Å; K139-E149 PolarHBondContact NZ-OE2 3.29Å; K139-W158 HydrophobicContact CB-CH2 4.12Å; K139-W158 HydrophobicContact CB-CZ3 3.94Å; K139-W158 HydrophobicContact CD-CH2 3.69Å; K139-W158 HydrophobicContact CD-CZ3 4.3Å; K139-W158 HydrophobicContact CG-CH2 4.5Å; K139-F191 PolarHBondContact N-O 2.85Å; K139-G192 CarbonylContact O-C 3.47Å; K139-G192 WeakPolarHBondContact O-CA 3.4Å; K139-K193 PolarHBondContact O-N 3.32Å
140	Y	95.3	Very high	90.1	Very high	120 Å²	120	65.9 Å²	65.9	47%	0.471	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.1	174.4	-72.8	-91.4	0	0	0	110.4	E136 F163 K193	E136-Y140 VanDerWaalsContact OE1-CE2 3.24Å; E136-Y140 WeakPolarHBondContact OE1-CE2 3.32Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.3Å; E136-Y140 PolarHBondContact OE1-OH 3.48Å; Y140-F163 HydrophobicContact CE1-CZ 4.47Å; Y140-K193 WeakPolarHBondContact CA-O 3.3Å; Y140-K193 HydrophobicContact CD1-CB 3.9Å; Y140-K193 HydrophobicContact CE1-CB 3.85Å; Y140-K193 HydrophobicContact CE1-CD 4.15Å
141	F	95.2	Very high	90.8	Very high	8 Å²	8	71 Å²	71	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.4	175.5	-58.2	-61.7	0	0	0	111.1	K139 I146 E149 W158 V160 K193 V194	K139-F141 HydrophobicContact CB-CZ 4.44Å; K139-F141 HydrophobicContact CD-CE1 3.83Å; K139-F141 HydrophobicContact CD-CZ 4.31Å; K139-F141 HydrophobicContact CG-CD1 4.43Å; K139-F141 HydrophobicContact CG-CE1 3.97Å; K139-F141 HydrophobicContact CG-CZ 4.37Å; F141-I146 HydrophobicContact CB-CB 3.89Å; F141-I146 HydrophobicContact CB-CG1 4.3Å; F141-I146 HydrophobicContact CD2-CD1 4.46Å; F141-I146 HydrophobicContact CD2-CG1 4.2Å; F141-I146 HydrophobicContact CG-CB 4.16Å; F141-I146 HydrophobicContact CG-CG1 4.2Å; F141-E149 HydrophobicContact CD1-CB 4.31Å; F141-E149 HydrophobicContact CD1-CG 4.44Å; F141-E149 HydrophobicContact CE1-CB 3.61Å; F141-E149 HydrophobicContact CE1-CG 3.98Å; F141-E149 HydrophobicContact CZ-CB 4.41Å; F141-W158 HydrophobicContact CE2-CE3 4.19Å; F141-W158 HydrophobicContact CE2-CZ3 4.26Å; F141-W158 HydrophobicContact CZ-CD2 4.3Å; F141-W158 AromaticContact CZ-CE3 3.76Å; F141-W158 HydrophobicContact CZ-CE3 3.76Å; F141-W158 AromaticContact CZ-CH2 3.99Å; F141-W158 HydrophobicContact CZ-CH2 3.99Å; F141-W158 HydrophobicContact CZ-CZ2 4.48Å; F141-W158 AromaticContact CZ-CZ3 3.58Å; F141-W158 HydrophobicContact CZ-CZ3 3.58Å; F141-V160 HydrophobicContact CD2-CG1 4.08Å; F141-V160 HydrophobicContact CE2-CG1 4.22Å; F141-V160 HydrophobicContact CE2-CG2 3.9Å; F141-K193 PolarHBondContact N-O 2.89Å; F141-V194 HydrophobicContact CB-CB 4.32Å; F141-V194 HydrophobicContact CB-CG2 4.49Å
142	N	93.6	Very high	91.3	Very high	56 Å²	56	75.7 Å²	75.7	30%	0.299	35%	0.354	S	S	.	.			trans	-99.7	-179	161.6	68.6	36.5	0	0	0	110.7	K144 T145 I146 Y199	N142-K144 PolarHBondContact O-N 2.94Å; N142-K144 PolarHBondContact OD1-N 3.4Å; N142-T145 VanDerWaalsContact CG-OG1 3.3Å; N142-T145 PolarHBondContact N-OG1 3.12Å; N142-T145 WeakPolarHBondContact ND2-CG2 3.41Å; N142-T145 PolarHBondContact O-OG1 2.93Å; N142-T145 WeakPolarHBondContact OD1-CB 3.37Å; N142-T145 VanDerWaalsContact OD1-CG2 3.24Å; N142-T145 WeakPolarHBondContact OD1-CG2 3.42Å; N142-T145 PolarHBondContact OD1-N 3.23Å; N142-T145 PolarHBondContact OD1-OG1 2.99Å; N142-I146 PolarHBondContact O-N 3.08Å; N142-Y199 HydrophobicContact CB-CE1 4.43Å; N142-Y199 HydrophobicContact CB-CE2 4.26Å
143	D	90.9	Very high	91.6	Very high	45 Å²	45	75.7 Å²	75.7	24%	0.241	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	-178.9	62.6	-50.3	0	0	0	115	Y199 V202 R205	D143-Y199 HydrophobicContact CB-CD1 3.97Å; D143-Y199 HydrophobicContact CB-CG 4.23Å; D143-V202 HydrophobicContact CB-CG2 4.01Å; D143-R205 PolarHBondContact O-NH2 3.4Å
144	K	89.6	Confident	92.1	Very high	146 Å²	146	73.5 Å²	73.5	64%	0.635	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-40	-177.7	-59.1	-178.4	-176.8	179.6	0	112.4	N142 I146	N142-K144 PolarHBondContact O-N 2.94Å; N142-K144 PolarHBondContact OD1-N 3.4Å; K144-I146 PolarHBondContact O-N 3.26Å
145	T	91.8	Very high	92.3	Very high	39 Å²	39	81.8 Å²	81.8	24%	0.239	37%	0.367	C	S	.	.	H	α-helix	trans	-74.9	-23	-173	57.3	0	0	0	0	113.5	N142 D147 E149	N142-T145 VanDerWaalsContact CG-OG1 3.3Å; N142-T145 PolarHBondContact N-OG1 3.12Å; N142-T145 WeakPolarHBondContact ND2-CG2 3.41Å; N142-T145 PolarHBondContact O-OG1 2.93Å; N142-T145 WeakPolarHBondContact OD1-CB 3.37Å; N142-T145 VanDerWaalsContact OD1-CG2 3.24Å; N142-T145 WeakPolarHBondContact OD1-CG2 3.42Å; N142-T145 PolarHBondContact OD1-N 3.23Å; N142-T145 PolarHBondContact OD1-OG1 2.99Å; T145-D147 PolarHBondContact O-N 2.92Å; T145-E149 VanDerWaalsContact O-CB 3.25Å; T145-E149 WeakPolarHBondContact O-CB 3.42Å; T145-E149 VanDerWaalsContact O-CG 3.24Å; T145-E149 WeakPolarHBondContact O-CG 3.13Å; T145-E149 PolarHBondContact O-N 2.88Å
146	I	93.2	Very high	92.5	Very high	0 Å²	0	79 Å²	79	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-48.8	-175	-172.9	168.4	0	0	0	111.2	F141 N142 K144 E149 L150 V160 F162 V194 V202 Y206	F141-I146 HydrophobicContact CB-CB 3.89Å; F141-I146 HydrophobicContact CB-CG1 4.3Å; F141-I146 HydrophobicContact CD2-CD1 4.46Å; F141-I146 HydrophobicContact CD2-CG1 4.2Å; F141-I146 HydrophobicContact CG-CB 4.16Å; F141-I146 HydrophobicContact CG-CG1 4.2Å; N142-I146 PolarHBondContact O-N 3.08Å; K144-I146 PolarHBondContact O-N 3.26Å; I146-E149 PolarHBondContact O-N 3.27Å; I146-L150 HydrophobicContact CG1-CD1 3.91Å; I146-L150 HydrophobicContact CG1-CG 4.45Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 WeakPolarHBondContact O-CG 3.35Å; I146-L150 PolarHBondContact O-N 3.27Å; I146-V160 HydrophobicContact CD1-CG1 4.49Å; I146-F162 HydrophobicContact CD1-CE1 4.25Å; I146-F162 HydrophobicContact CD1-CZ 4.11Å; I146-V194 HydrophobicContact CD1-CB 4.47Å; I146-V194 HydrophobicContact CD1-CG1 4.21Å; I146-V202 HydrophobicContact CD1-CG1 4.43Å; I146-Y206 HydrophobicContact CD1-CE2 4.05Å; I146-Y206 HydrophobicContact CG2-CE2 4.41Å
147	D	90.6	Very high	92.5	Very high	50 Å²	50	77.3 Å²	77.3	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-72.1	-41.9	-175.4	-58.2	-40.4	0	0	0	110	T145 E149 L150 E151 R205 Y206	T145-D147 PolarHBondContact O-N 2.92Å; D147-E149 PolarHBondContact O-N 3.28Å; D147-L150 PolarHBondContact O-N 2.96Å; D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 WeakPolarHBondContact O-CG 3.44Å; D147-E151 PolarHBondContact O-N 2.8Å; D147-R205 IonicContact OD2-CZ 3.42Å; D147-R205 IonicContact OD2-NE 3.44Å; D147-R205 PolarHBondContact OD2-NE 3.21Å; D147-R205 IonicContact OD2-NH2 2.77Å; D147-R205 PolarHBondContact OD2-NH2 2.94Å; D147-Y206 PolarHBondContact OD1-OH 2.91Å
148	E	92.1	Very high	92.7	Very high	129 Å²	129	70.9 Å²	70.9	60%	0.603	32%	0.316	S	S	*	.	H	α-helix	trans	-57	-45.6	174.8	-66.8	175.6	-178.5	0	0	112.2	E151 R152	E148-E151 PolarHBondContact O-N 2.66Å; E148-R152 VanDerWaalsContact O-CB 3.23Å; E148-R152 WeakPolarHBondContact O-CB 3.31Å; E148-R152 PolarHBondContact O-N 3.16Å
149	E	92.5	Very high	92.8	Very high	39 Å²	39	69.9 Å²	69.9	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-73.6	-34.9	-178.5	-74	-71.1	172.6	0	0	113.2	K139 F141 T145 I146 D147 E151 R152	K139-E149 IonicContact NZ-OE1 2.76Å; K139-E149 PolarHBondContact NZ-OE1 3.31Å; K139-E149 IonicContact NZ-OE2 2.7Å; K139-E149 PolarHBondContact NZ-OE2 3.29Å; F141-E149 HydrophobicContact CD1-CB 4.31Å; F141-E149 HydrophobicContact CD1-CG 4.44Å; F141-E149 HydrophobicContact CE1-CB 3.61Å; F141-E149 HydrophobicContact CE1-CG 3.98Å; F141-E149 HydrophobicContact CZ-CB 4.41Å; T145-E149 VanDerWaalsContact O-CB 3.25Å; T145-E149 WeakPolarHBondContact O-CB 3.42Å; T145-E149 VanDerWaalsContact O-CG 3.24Å; T145-E149 WeakPolarHBondContact O-CG 3.13Å; T145-E149 PolarHBondContact O-N 2.88Å; I146-E149 PolarHBondContact O-N 3.27Å; D147-E149 PolarHBondContact O-N 3.28Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-R152 IonicContact OE1-NH1 3.74Å
150	L	92.3	Very high	92.9	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-69.4	-30.6	174.5	-70.5	175.9	0	0	0	112.2	I146 D147 W158 F223	I146-L150 HydrophobicContact CG1-CD1 3.91Å; I146-L150 HydrophobicContact CG1-CG 4.45Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 WeakPolarHBondContact O-CG 3.35Å; I146-L150 PolarHBondContact O-N 3.27Å; D147-L150 PolarHBondContact O-N 2.96Å; L150-W158 HydrophobicContact CD2-CB 3.71Å; L150-W158 HydrophobicContact CD2-CD2 4.45Å; L150-W158 HydrophobicContact CD2-CG 3.69Å; L150-F223 HydrophobicContact CD1-CD1 4.17Å; L150-F223 HydrophobicContact CD1-CD2 4.28Å; L150-F223 HydrophobicContact CD1-CE1 4.21Å; L150-F223 HydrophobicContact CD1-CE2 4.3Å; L150-F223 HydrophobicContact CD1-CG 4.21Å; L150-F223 HydrophobicContact CD1-CZ 4.27Å; L150-F223 HydrophobicContact CD2-CB 4Å; L150-F223 HydrophobicContact CD2-CD2 4.07Å; L150-F223 HydrophobicContact CD2-CG 4Å
151	E	91.3	Very high	93	Very high	131 Å²	131	60.4 Å²	60.4	61%	0.612	27%	0.273	S	S	*	.	H	α-helix	trans	-87.1	-25.4	178.4	-70.5	-171.3	172.9	0	0	113.8	D147 E148 E149 D153	D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 WeakPolarHBondContact O-CG 3.44Å; D147-E151 PolarHBondContact O-N 2.8Å; E148-E151 PolarHBondContact O-N 2.66Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E151-D153 PolarHBondContact O-N 3.41Å
152	R	90.9	Very high	93.1	Very high	196 Å²	196	60 Å²	60	74%	0.74	27%	0.271	S	S	*	.	H	α-helix	trans	-58	-48.6	-175.7	-179.3	178.3	-179.3	175.2	2.6	113.8	E148 E149	E148-R152 VanDerWaalsContact O-CB 3.23Å; E148-R152 WeakPolarHBondContact O-CB 3.31Å; E148-R152 PolarHBondContact O-N 3.16Å; E149-R152 IonicContact OE1-NH1 3.74Å
153	D	89.6	Confident	93.2	Very high	48 Å²	48	58.2 Å²	58.2	26%	0.257	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	94.9	173.7	-164.5	-20.1	0	0	0	111.1	E151 R155 V156	E151-D153 PolarHBondContact O-N 3.41Å; D153-R155 PolarHBondContact O-N 3.06Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 WeakPolarHBondContact OD1-CB 3.35Å; D153-R155 WeakPolarHBondContact OD1-CG 3.45Å; D153-R155 IonicContact OD1-CZ 3.82Å; D153-R155 PolarHBondContact OD1-N 3.06Å; D153-R155 IonicContact OD1-NE 3Å; D153-R155 PolarHBondContact OD1-NE 2.85Å; D153-R155 IonicContact OD1-NH2 3.74Å; D153-R155 IonicContact OD2-CZ 3.59Å; D153-R155 IonicContact OD2-NE 3.47Å; D153-R155 PolarHBondContact OD2-NE 3.32Å; D153-R155 IonicContact OD2-NH2 2.84Å; D153-R155 PolarHBondContact OD2-NH2 2.86Å; D153-V156 HydrophobicContact CB-CG2 3.95Å; D153-V156 PolarHBondContact O-N 2.83Å; D153-V156 VanDerWaalsContact O-N 3.1Å
154	K	90.2	Very high	93.3	Very high	123 Å²	123	56.1 Å²	56.1	54%	0.535	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.1	179.4	-67	-178	-176.9	176.4	0	113.7	V156 G225	K154-V156 VanDerWaalsContact C-N 3.33Å; K154-G225 VanDerWaalsContact O-CA 3.26Å; K154-G225 WeakPolarHBondContact O-CA 3.46Å; K154-G225 PolarHBondContact O-N 3.43Å
155	R	89.8	Confident	93.3	Very high	199 Å²	199	52.4 Å²	52.4	75%	0.751	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.6	175.7	-55.8	170.8	-65.7	-177.6	5	111.4	D153	D153-R155 PolarHBondContact O-N 3.06Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 WeakPolarHBondContact OD1-CB 3.35Å; D153-R155 WeakPolarHBondContact OD1-CG 3.45Å; D153-R155 IonicContact OD1-CZ 3.82Å; D153-R155 PolarHBondContact OD1-N 3.06Å; D153-R155 IonicContact OD1-NE 3Å; D153-R155 PolarHBondContact OD1-NE 2.85Å; D153-R155 IonicContact OD1-NH2 3.74Å; D153-R155 IonicContact OD2-CZ 3.59Å; D153-R155 IonicContact OD2-NE 3.47Å; D153-R155 PolarHBondContact OD2-NE 3.32Å; D153-R155 IonicContact OD2-NH2 2.84Å; D153-R155 PolarHBondContact OD2-NH2 2.86Å
156	V	93.3	Very high	93	Very high	16 Å²	16	56.4 Å²	56.4	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-79.1	129.7	178.8	-179.3	0	0	0	0	109.5	D153 K154 N190	D153-V156 HydrophobicContact CB-CG2 3.95Å; D153-V156 PolarHBondContact O-N 2.83Å; D153-V156 VanDerWaalsContact O-N 3.1Å; K154-V156 VanDerWaalsContact C-N 3.33Å; V156-N190 HydrophobicContact CG1-CB 4.24Å; V156-N190 WeakPolarHBondContact CG1-ND2 3.5Å
157	T	95.7	Very high	92.8	Very high	22 Å²	22	56.8 Å²	56.8	14%	0.135	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	133	171.3	-61.6	0	0	0	0	109.3	G188 L189 N190 L222 F223 Q224 L260	T157-G188 PolarHBondContact N-O 2.75Å; T157-L189 HydrophobicContact CG2-CD1 3.7Å; T157-L189 WeakPolarHBondContact O-CA 3.18Å; T157-N190 PolarHBondContact O-N 3.37Å; T157-L222 HydrophobicContact CG2-CD1 3.43Å; T157-L222 VanDerWaalsContact CG2-CD1 3.43Å; T157-F223 WeakPolarHBondContact CA-O 3.38Å; T157-Q224 HydrophobicContact CG2-CG 3.81Å; T157-L260 HydrophobicContact CG2-CD1 4.42Å
158	W	97.1	Very high	92.5	Very high	14 Å²	14	58.7 Å²	58.7	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.4	178.2	-73.9	92.1	0	0	0	110.8	K139 F141 L150 V160 N190 L222 F223	K139-W158 HydrophobicContact CB-CH2 4.12Å; K139-W158 HydrophobicContact CB-CZ3 3.94Å; K139-W158 HydrophobicContact CD-CH2 3.69Å; K139-W158 HydrophobicContact CD-CZ3 4.3Å; K139-W158 HydrophobicContact CG-CH2 4.5Å; F141-W158 HydrophobicContact CE2-CE3 4.19Å; F141-W158 HydrophobicContact CE2-CZ3 4.26Å; F141-W158 HydrophobicContact CZ-CD2 4.3Å; F141-W158 AromaticContact CZ-CE3 3.76Å; F141-W158 HydrophobicContact CZ-CE3 3.76Å; F141-W158 AromaticContact CZ-CH2 3.99Å; F141-W158 HydrophobicContact CZ-CH2 3.99Å; F141-W158 HydrophobicContact CZ-CZ2 4.48Å; F141-W158 AromaticContact CZ-CZ3 3.58Å; F141-W158 HydrophobicContact CZ-CZ3 3.58Å; L150-W158 HydrophobicContact CD2-CB 3.71Å; L150-W158 HydrophobicContact CD2-CD2 4.45Å; L150-W158 HydrophobicContact CD2-CG 3.69Å; W158-V160 HydrophobicContact CB-CG2 4.17Å; W158-N190 WeakPolarHBondContact CA-O 3.48Å; W158-N190 HydrophobicContact CD2-CB 3.76Å; W158-N190 HydrophobicContact CE3-CB 3.43Å; W158-N190 VanDerWaalsContact CE3-CB 3.43Å; W158-N190 HydrophobicContact CH2-CB 3.5Å; W158-N190 VanDerWaalsContact CH2-CB 3.5Å; W158-N190 HydrophobicContact CZ2-CB 3.84Å; W158-N190 WeakPolarHBondContact CZ2-ND2 3.45Å; W158-N190 HydrophobicContact CZ3-CB 3.3Å; W158-L222 WeakPolarHBondContact O-CA 3.2Å; W158-F223 HydrophobicContact CB-CB 4.24Å; W158-F223 PolarHBondContact N-O 3.49Å; W158-F223 PolarHBondContact O-N 3.5Å
159	I	97.6	Very high	92.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.9	161	-90.8	172.9	0	0	0	107.5	Y177 N190 F191 G192 L220 L222 F255 L257	I159-Y177 HydrophobicContact CG2-CE2 3.66Å; I159-Y177 PolarHBondContact O-OH 2.92Å; I159-N190 PolarHBondContact N-O 2.89Å; I159-F191 HydrophobicContact CB-CD1 4.41Å; I159-F191 HydrophobicContact CB-CE1 4.42Å; I159-F191 HydrophobicContact CG2-CD1 3.88Å; I159-F191 HydrophobicContact CG2-CE1 3.92Å; I159-F191 CarbonylContact O-C 3.6Å; I159-F191 WeakPolarHBondContact O-CA 3.46Å; I159-G192 PolarHBondContact O-N 2.87Å; I159-L220 HydrophobicContact CG2-CD2 4.41Å; I159-L222 HydrophobicContact CD1-CD1 4.03Å; I159-L222 HydrophobicContact CG1-CB 4.32Å; I159-L222 HydrophobicContact CG1-CD1 3.56Å; I159-F255 HydrophobicContact CD1-CB 4.09Å; I159-F255 HydrophobicContact CD1-CD1 4.01Å; I159-F255 HydrophobicContact CD1-CG 4.18Å; I159-F255 HydrophobicContact CG1-CD1 4.41Å; I159-L257 HydrophobicContact CD1-CD2 3.29Å
160	V	97.8	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.8	-177.3	-172.4	0	0	0	0	109.8	F141 I146 W158 F162 G192 V194 I221 F223	F141-V160 HydrophobicContact CD2-CG1 4.08Å; F141-V160 HydrophobicContact CE2-CG1 4.22Å; F141-V160 HydrophobicContact CE2-CG2 3.9Å; I146-V160 HydrophobicContact CD1-CG1 4.49Å; W158-V160 HydrophobicContact CB-CG2 4.17Å; V160-F162 HydrophobicContact CB-CE2 3.95Å; V160-F162 HydrophobicContact CG1-CD2 4.28Å; V160-F162 HydrophobicContact CG1-CE2 3.84Å; V160-F162 HydrophobicContact CG1-CZ 4.26Å; V160-G192 CarbonylContact C-O 3.54Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.04Å; V160-V194 HydrophobicContact CG1-CG1 4.07Å; V160-I221 PolarHBondContact N-O 3.47Å; V160-I221 PolarHBondContact O-N 3.44Å; V160-F223 HydrophobicContact CB-CD2 4.39Å; V160-F223 HydrophobicContact CB-CE2 4Å; V160-F223 HydrophobicContact CG2-CD2 3.84Å; V160-F223 HydrophobicContact CG2-CE2 3.86Å
161	E	97.9	Very high	92.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.8	170.1	-174.8	-161.8	179.9	0	0	110.2	F163 F173 Y177 G192 K193 V194 P218 T219 L220	E161-F163 HydrophobicContact CG-CB 4.24Å; E161-F173 HydrophobicContact CG-CD1 4.45Å; E161-F173 HydrophobicContact CG-CE1 4.35Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.23Å; E161-Y177 HydrophobicContact CB-CD1 4.32Å; E161-Y177 HydrophobicContact CB-CE1 3.95Å; E161-Y177 HydrophobicContact CB-CE2 4.12Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.38Å; E161-G192 PolarHBondContact N-O 3.04Å; E161-K193 HydrophobicContact CB-CG 3.97Å; E161-K193 WeakPolarHBondContact O-CA 3.29Å; E161-K193 WeakPolarHBondContact OE2-CD 3.38Å; E161-K193 WeakPolarHBondContact OE2-CE 3.36Å; E161-K193 IonicContact OE2-NZ 3.77Å; E161-V194 PolarHBondContact O-N 3.25Å; E161-P218 HydrophobicContact CG-CB 4.26Å; E161-T219 WeakPolarHBondContact CA-O 3.39Å; E161-L220 HydrophobicContact CB-CD2 3.74Å; E161-L220 HydrophobicContact CG-CD2 4.08Å
162	F	97.4	Very high	92	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.3	169.4	-63.9	-106.4	0	0	0	107.3	I146 V160 V194 V196 V202 Y206 V208 L217 T219 I221 F223	I146-F162 HydrophobicContact CD1-CE1 4.25Å; I146-F162 HydrophobicContact CD1-CZ 4.11Å; V160-F162 HydrophobicContact CB-CE2 3.95Å; V160-F162 HydrophobicContact CG1-CD2 4.28Å; V160-F162 HydrophobicContact CG1-CE2 3.84Å; V160-F162 HydrophobicContact CG1-CZ 4.26Å; F162-V194 HydrophobicContact CB-CG1 4.3Å; F162-V194 HydrophobicContact CD1-CG1 3.34Å; F162-V194 HydrophobicContact CD2-CG1 4.31Å; F162-V194 HydrophobicContact CE1-CG1 3.58Å; F162-V194 HydrophobicContact CE2-CG1 4.48Å; F162-V194 HydrophobicContact CG-CG1 3.74Å; F162-V194 HydrophobicContact CZ-CG1 4.15Å; F162-V196 HydrophobicContact CB-CG1 4.09Å; F162-V196 HydrophobicContact CB-CG2 4.33Å; F162-V196 HydrophobicContact CD1-CG1 3.58Å; F162-V196 HydrophobicContact CG-CG1 4.33Å; F162-V202 HydrophobicContact CD1-CG1 4.18Å; F162-V202 HydrophobicContact CE1-CG1 3.77Å; F162-Y206 HydrophobicContact CE1-CD1 4.04Å; F162-Y206 AromaticContact CE1-CD2 3.73Å; F162-Y206 HydrophobicContact CE1-CD2 3.73Å; F162-Y206 HydrophobicContact CE1-CE2 4.38Å; F162-Y206 AromaticContact CE1-CG 3.54Å; F162-Y206 HydrophobicContact CE1-CG 3.54Å; F162-Y206 AromaticContact CZ-CD1 3.72Å; F162-Y206 HydrophobicContact CZ-CD1 3.72Å; F162-Y206 HydrophobicContact CZ-CD2 4.16Å; F162-Y206 HydrophobicContact CZ-CE1 4.14Å; F162-Y206 AromaticContact CZ-CG 3.73Å; F162-Y206 HydrophobicContact CZ-CG 3.73Å; F162-V208 HydrophobicContact CB-CG1 4.27Å; F162-V208 HydrophobicContact CB-CG2 4.3Å; F162-V208 HydrophobicContact CD1-CG2 4.15Å; F162-V208 HydrophobicContact CG-CG2 4.2Å; F162-L217 WeakPolarHBondContact O-CD2 3.36Å; F162-T219 PolarHBondContact N-O 3.23Å; F162-T219 PolarHBondContact O-N 2.9Å; F162-I221 HydrophobicContact CD2-CB 4.46Å; F162-I221 HydrophobicContact CD2-CD1 3.92Å; F162-I221 HydrophobicContact CD2-CG1 3.84Å; F162-I221 HydrophobicContact CE2-CB 3.89Å; F162-I221 HydrophobicContact CE2-CD1 3.51Å; F162-I221 HydrophobicContact CE2-CG1 3.61Å; F162-I221 HydrophobicContact CZ-CD1 3.95Å; F162-F223 HydrophobicContact CE2-CE2 4.21Å; F162-F223 HydrophobicContact CE2-CZ 4.39Å; F162-F223 HydrophobicContact CZ-CE2 4.38Å; F162-F223 HydrophobicContact CZ-CZ 4.25Å
163	F	95.9	Very high	92.1	Very high	18 Å²	18	41.4 Å²	41.4	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	168.6	-172.5	79.1	-77.6	0	0	0	111.7	Y140 E161 N165 C170 K193 V194 D195 V196	Y140-F163 HydrophobicContact CE1-CZ 4.47Å; E161-F163 HydrophobicContact CG-CB 4.24Å; F163-N165 WeakPolarHBondContact CE2-OD1 3.43Å; F163-C170 HydrophobicContact CB-CB 4.08Å; F163-K193 HydrophobicContact CD1-CB 4.18Å; F163-K193 HydrophobicContact CD1-CG 4.32Å; F163-K193 HydrophobicContact CE1-CB 3.83Å; F163-K193 HydrophobicContact CE1-CG 4.34Å; F163-V194 WeakPolarHBondContact CD1-O 3.1Å; F163-V194 VanDerWaalsContact CE1-C 3.49Å; F163-V194 PolarHBondContact N-O 2.87Å; F163-D195 HydrophobicContact CE1-CB 4.1Å; F163-D195 HydrophobicContact CE2-CB 4.42Å; F163-D195 HydrophobicContact CZ-CB 3.91Å; F163-D195 CarbonylContact O-C 3.56Å; F163-D195 WeakPolarHBondContact O-CA 3.37Å; F163-V196 WeakPolarHBondContact O-CG2 3.46Å; F163-V196 PolarHBondContact O-N 3.16Å
164	A	93.9	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.			trans	-137	138.7	169.2	0	0	0	0	0	110.2	W166 S167 L217	A164-W166 HydrophobicContact CB-CD2 4.15Å; A164-W166 HydrophobicContact CB-CG 4.47Å; A164-W166 HydrophobicContact CB-CZ2 3.73Å; A164-W166 PolarHBondContact O-N 3.4Å; A164-S167 WeakPolarHBondContact O-CB 3.32Å; A164-S167 PolarHBondContact O-N 3.39Å; A164-L217 HydrophobicContact CB-CD1 3.73Å
165	N	88.3	Confident	92.3	Very high	69 Å²	69	34.7 Å²	34.7	37%	0.369	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.2	-174.8	-76.6	-41.2	0	0	0	114.4	F163 S167 Q171 D195	F163-N165 WeakPolarHBondContact CE2-OD1 3.43Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-Q171 PolarHBondContact O-NE2 3.2Å; N165-D195 PolarHBondContact ND2-OD2 2.92Å
166	W	85.7	Confident	92.5	Very high	122 Å²	122	26.3 Å²	26.3	46%	0.462	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9	178.6	53.5	-102.5	0	0	0	113.5	A164 N168 T210 P212 L217	A164-W166 HydrophobicContact CB-CD2 4.15Å; A164-W166 HydrophobicContact CB-CG 4.47Å; A164-W166 HydrophobicContact CB-CZ2 3.73Å; A164-W166 PolarHBondContact O-N 3.4Å; W166-N168 PolarHBondContact O-N 2.66Å; W166-T210 WeakPolarHBondContact CH2-O 3.23Å; W166-T210 WeakPolarHBondContact CZ2-O 3.4Å; W166-P212 HydrophobicContact CH2-CB 4.36Å; W166-P212 HydrophobicContact CZ3-CB 3.94Å; W166-L217 HydrophobicContact CH2-CD1 3.53Å; W166-L217 HydrophobicContact CZ2-CD1 3.67Å; W166-L217 HydrophobicContact CZ3-CD1 4.44Å
167	S	89.8	Confident	92.6	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.063	13%	0.13	C	C	.	.			trans	-83.3	115.6	-179.1	176.8	0	0	0	0	110.9	A164 N165 D169 C170 Q171	A164-S167 WeakPolarHBondContact O-CB 3.32Å; A164-S167 PolarHBondContact O-N 3.39Å; N165-S167 VanDerWaalsContact C-N 3.34Å; S167-D169 VanDerWaalsContact C-N 3.26Å; S167-D169 PolarHBondContact O-N 2.85Å; S167-C170 VanDerWaalsContact CB-SG 3.55Å; S167-C170 WeakPolarHBondContact O-CB 3.14Å; S167-C170 PolarHBondContact O-N 3.4Å; S167-C170 PolarHBondContact OG-N 2.99Å; S167-C170 PolarHBondContact OG-SG 3.25Å; S167-Q171 PolarHBondContact O-N 3.49Å; S167-Q171 VanDerWaalsContact O-N 3.11Å
168	N	84.6	Confident	92.6	Very high	89 Å²	89	24.5 Å²	24.5	48%	0.476	12%	0.123	S	C	.	.	H	α-helix	trans	-63.5	-32.9	176.1	-67	-28.1	0	0	0	112.3	W166 C170 Q171 S172	W166-N168 PolarHBondContact O-N 2.66Å; N168-C170 VanDerWaalsContact C-N 3.34Å; N168-Q171 PolarHBondContact O-N 2.95Å; N168-S172 WeakPolarHBondContact O-CB 3.43Å; N168-S172 PolarHBondContact O-N 3.28Å; N168-S172 PolarHBondContact O-OG 3.42Å
169	D	88.4	Confident	92.5	Very high	88 Å²	88	27.7 Å²	27.7	47%	0.471	14%	0.141	S	C	.	.	H	α-helix	trans	-67.9	-36.3	177.4	-67.1	-35.7	0	0	0	111	S167 F173	S167-D169 VanDerWaalsContact C-N 3.26Å; S167-D169 PolarHBondContact O-N 2.85Å; D169-F173 WeakPolarHBondContact O-CB 3.3Å; D169-F173 PolarHBondContact O-N 3.4Å
170	C	92.1	Very high	92.4	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-44.4	172.8	-66.3	0	0	0	0	111.7	F163 S167 N168 S172 F173 A174	F163-C170 HydrophobicContact CB-CB 4.08Å; S167-C170 VanDerWaalsContact CB-SG 3.55Å; S167-C170 WeakPolarHBondContact O-CB 3.14Å; S167-C170 PolarHBondContact O-N 3.4Å; S167-C170 PolarHBondContact OG-N 2.99Å; S167-C170 PolarHBondContact OG-SG 3.25Å; N168-C170 VanDerWaalsContact C-N 3.34Å; C170-S172 VanDerWaalsContact C-N 3.29Å; C170-S172 PolarHBondContact O-N 2.9Å; C170-F173 PolarHBondContact O-N 2.97Å; C170-F173 VanDerWaalsContact O-N 3.14Å; C170-A174 PolarHBondContact O-N 3.44Å
171	Q	88.1	Confident	92.4	Very high	30 Å²	30	27.7 Å²	27.7	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-43.9	177.2	-68.7	171.2	27	0	0	111	N165 S167 N168 F173 A174 P175	N165-Q171 PolarHBondContact O-NE2 3.2Å; S167-Q171 PolarHBondContact O-N 3.49Å; S167-Q171 VanDerWaalsContact O-N 3.11Å; N168-Q171 PolarHBondContact O-N 2.95Å; Q171-F173 VanDerWaalsContact C-N 3.28Å; Q171-F173 PolarHBondContact O-N 3.49Å; Q171-A174 WeakPolarHBondContact O-CB 3.32Å; Q171-A174 PolarHBondContact O-N 3.43Å; Q171-P175 WeakPolarHBondContact O-CD 3.37Å
172	S	87.8	Confident	92.3	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-30.2	177	-64.6	0	0	0	0	113.6	T85 Q88 N168 C170	T85-S172 VanDerWaalsContact CG2-O 3.26Å; T85-S172 WeakPolarHBondContact CG2-O 3.28Å; Q88-S172 WeakPolarHBondContact CB-OG 3.36Å; Q88-S172 PolarHBondContact OE1-OG 2.99Å; N168-S172 WeakPolarHBondContact O-CB 3.43Å; N168-S172 PolarHBondContact O-N 3.28Å; N168-S172 PolarHBondContact O-OG 3.42Å; C170-S172 VanDerWaalsContact C-N 3.29Å; C170-S172 PolarHBondContact O-N 2.9Å
173	F	92.6	Very high	92.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-84.5	-24.6	179.1	-177.9	-116.2	0	0	0	113.3	E161 D169 C170 Q171 I176 Y177 P218 L220 F246 V251	E161-F173 HydrophobicContact CG-CD1 4.45Å; E161-F173 HydrophobicContact CG-CE1 4.35Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.23Å; D169-F173 WeakPolarHBondContact O-CB 3.3Å; D169-F173 PolarHBondContact O-N 3.4Å; C170-F173 PolarHBondContact O-N 2.97Å; C170-F173 VanDerWaalsContact O-N 3.14Å; Q171-F173 VanDerWaalsContact C-N 3.28Å; Q171-F173 PolarHBondContact O-N 3.49Å; F173-I176 HydrophobicContact CD2-CB 4.01Å; F173-I176 HydrophobicContact CD2-CD1 4.26Å; F173-I176 HydrophobicContact CD2-CG2 4.24Å; F173-I176 HydrophobicContact CE2-CB 4.07Å; F173-I176 HydrophobicContact CE2-CG2 3.84Å; F173-I176 WeakPolarHBondContact O-CB 3.28Å; F173-I176 PolarHBondContact O-N 3.41Å; F173-Y177 AromaticContact CE1-CD2 3.67Å; F173-Y177 HydrophobicContact CE1-CD2 3.67Å; F173-Y177 AromaticContact CE1-CG 3.89Å; F173-Y177 HydrophobicContact CE1-CG 3.89Å; F173-Y177 AromaticContact CZ-CD2 3.84Å; F173-Y177 HydrophobicContact CZ-CD2 3.84Å; F173-Y177 HydrophobicContact CZ-CG 4.28Å; F173-Y177 PolarHBondContact O-N 3.09Å; F173-P218 HydrophobicContact CB-CG 4.09Å; F173-P218 HydrophobicContact CD1-CB 4.29Å; F173-P218 HydrophobicContact CD1-CG 4.01Å; F173-P218 HydrophobicContact CG-CG 4.22Å; F173-L220 HydrophobicContact CE1-CD1 4.06Å; F173-L220 HydrophobicContact CE1-CD2 3.96Å; F173-L220 HydrophobicContact CE1-CG 4.2Å; F173-L220 HydrophobicContact CZ-CD1 3.76Å; F173-L220 HydrophobicContact CZ-CD2 4.37Å; F173-L220 HydrophobicContact CZ-CG 4.4Å; F173-F246 HydrophobicContact CD1-CD1 4.29Å; F173-F246 HydrophobicContact CD2-CB 3.64Å; F173-F246 HydrophobicContact CD2-CD1 4.04Å; F173-F246 HydrophobicContact CD2-CG 4.27Å; F173-F246 HydrophobicContact CE1-CD1 4.32Å; F173-F246 HydrophobicContact CE2-CB 4.09Å; F173-F246 HydrophobicContact CE2-CD1 4.07Å; F173-F246 HydrophobicContact CG-CB 4.22Å; F173-F246 HydrophobicContact CG-CD1 4.15Å; F173-F246 HydrophobicContact CG-CG 4.49Å; F173-F246 HydrophobicContact CZ-CD1 4.23Å; F173-V251 HydrophobicContact CE2-CG2 3.98Å; F173-V251 HydrophobicContact CZ-CG2 4.05Å
174	A	92.4	Very high	92.2	Very high	8 Å²	8	36.3 Å²	36.3	7%	0.066	18%	0.182	C	C	.	.	H	α-helix	trans	-48.1	-48.6	-179.6	0	0	0	0	0	114.9	C170 Q171 I176 Y177 A178	C170-A174 PolarHBondContact O-N 3.44Å; Q171-A174 WeakPolarHBondContact O-CB 3.32Å; Q171-A174 PolarHBondContact O-N 3.43Å; A174-I176 PolarHBondContact O-N 2.99Å; A174-Y177 PolarHBondContact O-N 3.47Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.86Å
175	P	92.1	Very high	92.2	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-39.6	177.7	22.3	-33.5	0	0	0	113	Y132 Q171 Y177 A178 D179	Y132-P175 HydrophobicContact CD2-CB 3.76Å; Y132-P175 HydrophobicContact CD2-CG 4.5Å; Y132-P175 HydrophobicContact CE2-CB 3.6Å; Q171-P175 WeakPolarHBondContact O-CD 3.37Å; P175-Y177 VanDerWaalsContact C-N 3.34Å; P175-Y177 PolarHBondContact O-N 3.25Å; P175-A178 PolarHBondContact O-N 3.49Å; P175-D179 PolarHBondContact O-N 3.39Å
176	I	93.6	Very high	92.4	Very high	23 Å²	23	35.3 Å²	35.3	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-44.6	178.8	-60.8	169.1	0	0	0	109.7	T85 F173 A174 D179 L180 E248	T85-I176 HydrophobicContact CG2-CD1 3.94Å; T85-I176 HydrophobicContact CG2-CG1 4.34Å; F173-I176 HydrophobicContact CD2-CB 4.01Å; F173-I176 HydrophobicContact CD2-CD1 4.26Å; F173-I176 HydrophobicContact CD2-CG2 4.24Å; F173-I176 HydrophobicContact CE2-CB 4.07Å; F173-I176 HydrophobicContact CE2-CG2 3.84Å; F173-I176 WeakPolarHBondContact O-CB 3.28Å; F173-I176 PolarHBondContact O-N 3.41Å; A174-I176 PolarHBondContact O-N 2.99Å; I176-D179 PolarHBondContact O-N 2.92Å; I176-L180 HydrophobicContact CG2-CD1 4.21Å; I176-L180 WeakPolarHBondContact O-CB 3.43Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.35Å; I176-L180 PolarHBondContact O-N 3.46Å; I176-E248 HydrophobicContact CG2-CB 4.01Å
177	Y	96.2	Very high	92.5	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-38.1	179.7	-168.5	-107.1	0	0	0	112.3	I138 I159 E161 F173 A174 P175 L180 S181 F191 G192 K193 L220	I138-Y177 HydrophobicContact CD1-CD1 3.45Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.45Å; I138-Y177 HydrophobicContact CD1-CE1 3.63Å; I138-Y177 HydrophobicContact CG1-CD1 4.37Å; I138-Y177 HydrophobicContact CG1-CE1 4.09Å; I138-Y177 HydrophobicContact CG2-CE1 4.18Å; I159-Y177 HydrophobicContact CG2-CE2 3.66Å; I159-Y177 PolarHBondContact O-OH 2.92Å; E161-Y177 HydrophobicContact CB-CD1 4.32Å; E161-Y177 HydrophobicContact CB-CE1 3.95Å; E161-Y177 HydrophobicContact CB-CE2 4.12Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.38Å; F173-Y177 AromaticContact CE1-CD2 3.67Å; F173-Y177 HydrophobicContact CE1-CD2 3.67Å; F173-Y177 AromaticContact CE1-CG 3.89Å; F173-Y177 HydrophobicContact CE1-CG 3.89Å; F173-Y177 AromaticContact CZ-CD2 3.84Å; F173-Y177 HydrophobicContact CZ-CD2 3.84Å; F173-Y177 HydrophobicContact CZ-CG 4.28Å; F173-Y177 PolarHBondContact O-N 3.09Å; A174-Y177 PolarHBondContact O-N 3.47Å; P175-Y177 VanDerWaalsContact C-N 3.34Å; P175-Y177 PolarHBondContact O-N 3.25Å; Y177-L180 PolarHBondContact O-N 3.34Å; Y177-S181 WeakPolarHBondContact O-CB 3.45Å; Y177-S181 PolarHBondContact O-N 3.28Å; Y177-F191 HydrophobicContact CD2-CD1 4.43Å; Y177-F191 HydrophobicContact CE1-CB 4.47Å; Y177-F191 HydrophobicContact CE1-CD1 4.37Å; Y177-F191 AromaticContact CE2-CD1 3.7Å; Y177-F191 HydrophobicContact CE2-CD1 3.7Å; Y177-F191 HydrophobicContact CE2-CE1 4.22Å; Y177-F191 AromaticContact CZ-CD1 3.66Å; Y177-G192 PolarHBondContact OH-N 2.91Å; Y177-G192 PolarHBondContact OH-O 3.18Å; Y177-K193 HydrophobicContact CD1-CD 4.02Å; Y177-K193 HydrophobicContact CD1-CG 4.23Å; Y177-K193 HydrophobicContact CE1-CD 4.05Å; Y177-K193 HydrophobicContact CE1-CG 3.8Å; Y177-L220 HydrophobicContact CD2-CD2 3.95Å; Y177-L220 HydrophobicContact CE2-CD2 3.59Å
178	A	95.3	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-48.4	172.5	0	0	0	0	0	111.8	Y132 E136 A174 P175 L180 S181 L182	Y132-A178 HydrophobicContact CD1-CB 4.12Å; Y132-A178 HydrophobicContact CE1-CB 3.39Å; E136-A178 HydrophobicContact CB-CB 3.85Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.86Å; P175-A178 PolarHBondContact O-N 3.49Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 2.69Å; A178-S181 WeakPolarHBondContact O-CB 3.47Å; A178-S181 PolarHBondContact O-N 2.99Å; A178-S181 VanDerWaalsContact O-N 3.12Å; A178-S181 PolarHBondContact O-OG 3.04Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3.46Å
179	D	94.8	Very high	93.1	Very high	81 Å²	81	30 Å²	30	43%	0.433	16%	0.164	S	C	.	.	H	α-helix	trans	-62.9	-40.6	178.7	-71.4	-20.6	0	0	0	112	P175 I176 S181 L182 K183	P175-D179 PolarHBondContact O-N 3.39Å; I176-D179 PolarHBondContact O-N 2.92Å; D179-S181 VanDerWaalsContact C-N 3.33Å; D179-S181 PolarHBondContact O-N 3Å; D179-L182 PolarHBondContact O-N 3.15Å; D179-K183 WeakPolarHBondContact O-CB 3.4Å; D179-K183 PolarHBondContact O-N 3.25Å; D179-K183 VanDerWaalsContact O-N 3.07Å
180	L	96.4	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-42.8	172.7	-74.7	172.8	0	0	0	111.9	I176 Y177 A178 L182 K183 Y184 F191 E248 V251 I252 L257	I176-L180 HydrophobicContact CG2-CD1 4.21Å; I176-L180 WeakPolarHBondContact O-CB 3.43Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.35Å; I176-L180 PolarHBondContact O-N 3.46Å; Y177-L180 PolarHBondContact O-N 3.34Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 2.69Å; L180-L182 PolarHBondContact O-N 3.34Å; L180-K183 PolarHBondContact O-N 3.41Å; L180-Y184 HydrophobicContact CD2-CD2 4.03Å; L180-Y184 HydrophobicContact CD2-CE2 3.87Å; L180-Y184 WeakPolarHBondContact O-CB 3.48Å; L180-Y184 WeakPolarHBondContact O-CD2 3.12Å; L180-Y184 PolarHBondContact O-N 3.42Å; L180-F191 HydrophobicContact CB-CE1 4.13Å; L180-E248 HydrophobicContact CD2-CG 3.57Å; L180-E248 HydrophobicContact CG-CG 4.06Å; L180-V251 HydrophobicContact CD1-CB 3.84Å; L180-V251 HydrophobicContact CD1-CG1 3.62Å; L180-V251 HydrophobicContact CD1-CG2 4.23Å; L180-I252 HydrophobicContact CD2-CD1 3.99Å; L180-I252 HydrophobicContact CD2-CG1 3.74Å; L180-L257 HydrophobicContact CD2-CD1 3.9Å
181	S	96.8	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-44.8	177.6	81.7	0	0	0	0	111.2	Y137 I138 Y177 A178 D179 K183 N185	Y137-S181 PolarHBondContact N-OG 3.02Å; Y137-S181 VanDerWaalsContact N-OG 3.08Å; Y137-S181 WeakPolarHBondContact O-CB 3.39Å; I138-S181 WeakPolarHBondContact CG1-OG 3.49Å; Y177-S181 WeakPolarHBondContact O-CB 3.45Å; Y177-S181 PolarHBondContact O-N 3.28Å; A178-S181 WeakPolarHBondContact O-CB 3.47Å; A178-S181 PolarHBondContact O-N 2.99Å; A178-S181 VanDerWaalsContact O-N 3.12Å; A178-S181 PolarHBondContact O-OG 3.04Å; D179-S181 VanDerWaalsContact C-N 3.33Å; D179-S181 PolarHBondContact O-N 3Å; S181-K183 VanDerWaalsContact C-N 3.29Å; S181-K183 PolarHBondContact O-N 3.48Å; S181-N185 WeakPolarHBondContact O-CB 3.08Å; S181-N185 PolarHBondContact O-N 3.02Å
182	L	95.8	Very high	94.2	Very high	85 Å²	85	25.7 Å²	25.7	45%	0.445	14%	0.142	S	C	.	.	H	α-helix	trans	-64.4	-34.5	178.9	-67.8	175.1	0	0	0	112.5	P135 A178 D179 L180	P135-L182 HydrophobicContact CB-CD1 4.11Å; P135-L182 HydrophobicContact CG-CD1 4.05Å; P135-L182 WeakPolarHBondContact O-CD1 3.11Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3.46Å; D179-L182 PolarHBondContact O-N 3.15Å; L180-L182 PolarHBondContact O-N 3.34Å
183	K	95.4	Very high	94.6	Very high	104 Å²	104	25.7 Å²	25.7	45%	0.452	14%	0.14	S	C	.	.	H	α-helix	trans	-79.9	-38.5	-176.6	-175.9	171.5	171.2	-179.4	0	113.4	D179 L180 S181 E248	D179-K183 WeakPolarHBondContact O-CB 3.4Å; D179-K183 PolarHBondContact O-N 3.25Å; D179-K183 VanDerWaalsContact O-N 3.07Å; L180-K183 PolarHBondContact O-N 3.41Å; S181-K183 VanDerWaalsContact C-N 3.29Å; S181-K183 PolarHBondContact O-N 3.48Å; K183-E248 IonicContact NZ-OE1 2.91Å; K183-E248 PolarHBondContact NZ-OE1 3.27Å
184	Y	95.6	Very high	94.8	Very high	10 Å²	10	25.5 Å²	25.5	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-112	-5.1	-169.6	-69.7	-78.6	0	0	0	114.5	L180 C186 I252 L257 N258 Y261	L180-Y184 HydrophobicContact CD2-CD2 4.03Å; L180-Y184 HydrophobicContact CD2-CE2 3.87Å; L180-Y184 WeakPolarHBondContact O-CB 3.48Å; L180-Y184 WeakPolarHBondContact O-CD2 3.12Å; L180-Y184 PolarHBondContact O-N 3.42Å; Y184-C186 PolarHBondContact O-N 3.32Å; Y184-I252 HydrophobicContact CE2-CD1 4.06Å; Y184-I252 HydrophobicContact CE2-CG1 4Å; Y184-L257 HydrophobicContact CD1-CB 4.13Å; Y184-L257 HydrophobicContact CD2-CB 4.47Å; Y184-L257 HydrophobicContact CD2-CD1 4.07Å; Y184-L257 HydrophobicContact CE1-CB 3.99Å; Y184-L257 HydrophobicContact CE2-CB 4.35Å; Y184-L257 HydrophobicContact CE2-CD1 4.18Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; Y184-N258 WeakPolarHBondContact CE1-OD1 3.42Å; Y184-N258 PolarHBondContact OH-OD1 2.82Å; Y184-Y261 HydrophobicContact CD1-CD1 4.37Å; Y184-Y261 HydrophobicContact CD1-CD2 4.23Å; Y184-Y261 AromaticContact CD1-CG 3.9Å; Y184-Y261 HydrophobicContact CD1-CG 3.9Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.15Å; Y184-Y261 VanDerWaalsContact O-CE2 3.29Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.36Å
185	N	94	Very high	95	Very high	31 Å²	31	26 Å²	26	17%	0.166	14%	0.141	C	C	.	.			trans	-63	132.6	176.1	-164.1	-68.1	0	0	0	111.5	Y137 S181 L189	Y137-N185 HydrophobicContact CD1-CB 3.97Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.22Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y137-N185 VanDerWaalsContact CE1-OD1 3.29Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.25Å; Y137-N185 HydrophobicContact CG-CB 4.33Å; S181-N185 WeakPolarHBondContact O-CB 3.08Å; S181-N185 PolarHBondContact O-N 3.02Å; N185-L189 WeakPolarHBondContact CA-O 3.28Å
186	C	93.1	Very high	95.2	Very high	18 Å²	18	25 Å²	25	12%	0.122	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-158.2	173.6	168.2	61.9	0	0	0	0	110.4	Y184 G188 L189 N190 Y261 A264	Y184-C186 PolarHBondContact O-N 3.32Å; C186-G188 PolarHBondContact O-N 2.84Å; C186-L189 PolarHBondContact N-O 2.92Å; C186-L189 CarbonylContact O-C 3.38Å; C186-L189 PolarHBondContact O-N 3.33Å; C186-N190 PolarHBondContact O-OD1 3.38Å; C186-Y261 HydrophobicContact CB-CD2 4.39Å; C186-Y261 HydrophobicContact CB-CE2 3.92Å; C186-A264 VanDerWaalsContact SG-CB 3.58Å
187	T	88.9	Confident	95.1	Very high	94 Å²	94	25.3 Å²	25.3	58%	0.577	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-29.8	-178.2	46.7	0	0	0	0	115.2	S268	T187-S268 WeakPolarHBondContact OG1-CB 3.45Å; T187-S268 PolarHBondContact OG1-OG 3.32Å
188	G	91	Very high	95	Very high	12 Å²	12	34 Å²	34	12%	0.124	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-2.9	178.1	0	0	0	0	0	115.8	T157 C186	T157-G188 PolarHBondContact N-O 2.75Å; C186-G188 PolarHBondContact O-N 2.84Å
189	L	95.4	Very high	95	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	110	178.8	177.9	62.4	0	0	0	110.2	T157 N185 C186 F191 L260 A264	T157-L189 HydrophobicContact CG2-CD1 3.7Å; T157-L189 WeakPolarHBondContact O-CA 3.18Å; N185-L189 WeakPolarHBondContact CA-O 3.28Å; C186-L189 PolarHBondContact N-O 2.92Å; C186-L189 CarbonylContact O-C 3.38Å; C186-L189 PolarHBondContact O-N 3.33Å; L189-F191 HydrophobicContact CD2-CE2 4.41Å; L189-F191 HydrophobicContact CG-CE2 4.23Å; L189-L260 HydrophobicContact CD2-CB 4.25Å; L189-A264 HydrophobicContact CB-CB 4.06Å
190	N	96.3	Very high	94.8	Very high	30 Å²	30	36.4 Å²	36.4	16%	0.16	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154	-178	-69.2	-23.2	0	0	0	112.2	V156 T157 W158 I159 C186	V156-N190 HydrophobicContact CG1-CB 4.24Å; V156-N190 WeakPolarHBondContact CG1-ND2 3.5Å; T157-N190 PolarHBondContact O-N 3.37Å; W158-N190 WeakPolarHBondContact CA-O 3.48Å; W158-N190 HydrophobicContact CD2-CB 3.76Å; W158-N190 HydrophobicContact CE3-CB 3.43Å; W158-N190 VanDerWaalsContact CE3-CB 3.43Å; W158-N190 HydrophobicContact CH2-CB 3.5Å; W158-N190 VanDerWaalsContact CH2-CB 3.5Å; W158-N190 HydrophobicContact CZ2-CB 3.84Å; W158-N190 WeakPolarHBondContact CZ2-ND2 3.45Å; W158-N190 HydrophobicContact CZ3-CB 3.3Å; I159-N190 PolarHBondContact N-O 2.89Å; C186-N190 PolarHBondContact O-OD1 3.38Å
191	F	97.8	Very high	94.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	177.8	-73	-106.3	0	0	0	109.2	I138 K139 I159 Y177 L180 L189	I138-F191 HydrophobicContact CG1-CB 4.22Å; K139-F191 PolarHBondContact N-O 2.85Å; I159-F191 HydrophobicContact CB-CD1 4.41Å; I159-F191 HydrophobicContact CB-CE1 4.42Å; I159-F191 HydrophobicContact CG2-CD1 3.88Å; I159-F191 HydrophobicContact CG2-CE1 3.92Å; I159-F191 CarbonylContact O-C 3.6Å; I159-F191 WeakPolarHBondContact O-CA 3.46Å; Y177-F191 HydrophobicContact CD2-CD1 4.43Å; Y177-F191 HydrophobicContact CE1-CB 4.47Å; Y177-F191 HydrophobicContact CE1-CD1 4.37Å; Y177-F191 AromaticContact CE2-CD1 3.7Å; Y177-F191 HydrophobicContact CE2-CD1 3.7Å; Y177-F191 HydrophobicContact CE2-CE1 4.22Å; Y177-F191 AromaticContact CZ-CD1 3.66Å; L180-F191 HydrophobicContact CB-CE1 4.13Å; L189-F191 HydrophobicContact CD2-CE2 4.41Å; L189-F191 HydrophobicContact CG-CE2 4.23Å
192	G	97.1	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.8	-177.9	0	0	0	0	0	113.7	K139 I159 V160 E161 Y177	K139-G192 CarbonylContact O-C 3.47Å; K139-G192 WeakPolarHBondContact O-CA 3.4Å; I159-G192 PolarHBondContact O-N 2.87Å; V160-G192 CarbonylContact C-O 3.54Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.04Å; E161-G192 PolarHBondContact N-O 3.04Å; Y177-G192 PolarHBondContact OH-N 2.91Å; Y177-G192 PolarHBondContact OH-O 3.18Å
193	K	96.9	Very high	94.5	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.8	-180	-87.5	175.4	85.2	174.1	0	111.1	I138 K139 Y140 F141 E161 F163 Y177	I138-K193 HydrophobicContact CD1-CD 4.02Å; I138-K193 HydrophobicContact CG2-CB 3.86Å; I138-K193 HydrophobicContact CG2-CD 3.82Å; I138-K193 HydrophobicContact CG2-CG 3.7Å; K139-K193 PolarHBondContact O-N 3.32Å; Y140-K193 WeakPolarHBondContact CA-O 3.3Å; Y140-K193 HydrophobicContact CD1-CB 3.9Å; Y140-K193 HydrophobicContact CE1-CB 3.85Å; Y140-K193 HydrophobicContact CE1-CD 4.15Å; F141-K193 PolarHBondContact N-O 2.89Å; E161-K193 HydrophobicContact CB-CG 3.97Å; E161-K193 WeakPolarHBondContact O-CA 3.29Å; E161-K193 WeakPolarHBondContact OE2-CD 3.38Å; E161-K193 WeakPolarHBondContact OE2-CE 3.36Å; E161-K193 IonicContact OE2-NZ 3.77Å; F163-K193 HydrophobicContact CD1-CB 4.18Å; F163-K193 HydrophobicContact CD1-CG 4.32Å; F163-K193 HydrophobicContact CE1-CB 3.83Å; F163-K193 HydrophobicContact CE1-CG 4.34Å; Y177-K193 HydrophobicContact CD1-CD 4.02Å; Y177-K193 HydrophobicContact CD1-CG 4.23Å; Y177-K193 HydrophobicContact CE1-CD 4.05Å; Y177-K193 HydrophobicContact CE1-CG 3.8Å
194	V	96.6	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.4	174.2	63.7	0	0	0	0	110.9	F141 I146 V160 E161 F162 F163 V196 Y199 V202	F141-V194 HydrophobicContact CB-CB 4.32Å; F141-V194 HydrophobicContact CB-CG2 4.49Å; I146-V194 HydrophobicContact CD1-CB 4.47Å; I146-V194 HydrophobicContact CD1-CG1 4.21Å; V160-V194 HydrophobicContact CG1-CG1 4.07Å; E161-V194 PolarHBondContact O-N 3.25Å; F162-V194 HydrophobicContact CB-CG1 4.3Å; F162-V194 HydrophobicContact CD1-CG1 3.34Å; F162-V194 HydrophobicContact CD2-CG1 4.31Å; F162-V194 HydrophobicContact CE1-CG1 3.58Å; F162-V194 HydrophobicContact CE2-CG1 4.48Å; F162-V194 HydrophobicContact CG-CG1 3.74Å; F162-V194 HydrophobicContact CZ-CG1 4.15Å; F163-V194 WeakPolarHBondContact CD1-O 3.1Å; F163-V194 VanDerWaalsContact CE1-C 3.49Å; F163-V194 PolarHBondContact N-O 2.87Å; V194-V196 HydrophobicContact CG1-CG1 4.42Å; V194-V196 PolarHBondContact O-N 3.3Å; V194-Y199 HydrophobicContact CG2-CD2 4.21Å; V194-V202 HydrophobicContact CG1-CG1 4.3Å; V194-V202 HydrophobicContact CG2-CB 4.48Å; V194-V202 HydrophobicContact CG2-CG1 3.95Å; V194-V202 HydrophobicContact CG2-CG2 4.35Å
195	D	95.8	Very high	94.3	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	92.6	178.3	-175.9	-7.4	0	0	0	109.8	F163 N165 G197 R198 Y199	F163-D195 HydrophobicContact CE1-CB 4.1Å; F163-D195 HydrophobicContact CE2-CB 4.42Å; F163-D195 HydrophobicContact CZ-CB 3.91Å; F163-D195 CarbonylContact O-C 3.56Å; F163-D195 WeakPolarHBondContact O-CA 3.37Å; N165-D195 PolarHBondContact ND2-OD2 2.92Å; D195-G197 PolarHBondContact O-N 2.78Å; D195-G197 WeakPolarHBondContact OD1-CA 3.26Å; D195-G197 PolarHBondContact OD1-N 2.9Å; D195-R198 HydrophobicContact CB-CB 4.2Å; D195-R198 PolarHBondContact O-N 2.81Å; D195-R198 PolarHBondContact OD1-N 3.28Å; D195-Y199 HydrophobicContact CB-CD2 4.45Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 WeakPolarHBondContact O-CD2 3.38Å; D195-Y199 PolarHBondContact O-N 2.93Å
196	V	95.8	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.4	176.6	-73.2	0	0	0	0	113.1	F162 F163 V194 R198 V202 V208 T210 L217	F162-V196 HydrophobicContact CB-CG1 4.09Å; F162-V196 HydrophobicContact CB-CG2 4.33Å; F162-V196 HydrophobicContact CD1-CG1 3.58Å; F162-V196 HydrophobicContact CG-CG1 4.33Å; F163-V196 WeakPolarHBondContact O-CG2 3.46Å; F163-V196 PolarHBondContact O-N 3.16Å; V194-V196 HydrophobicContact CG1-CG1 4.42Å; V194-V196 PolarHBondContact O-N 3.3Å; V196-R198 VanDerWaalsContact C-N 3.28Å; V196-V202 HydrophobicContact CG1-CB 4.41Å; V196-V202 HydrophobicContact CG1-CG1 4.09Å; V196-V208 HydrophobicContact CG2-CG1 4.29Å; V196-T210 HydrophobicContact CB-CG2 3.99Å; V196-T210 HydrophobicContact CG2-CG2 3.9Å; V196-T210 WeakPolarHBondContact O-CG2 3.39Å; V196-L217 HydrophobicContact CG2-CD2 3.65Å
197	G	92.4	Very high	94.4	Very high	30 Å²	30	49.5 Å²	49.5	31%	0.309	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	171.2	0	0	0	0	0	112.1	D195	D195-G197 PolarHBondContact O-N 2.78Å; D195-G197 WeakPolarHBondContact OD1-CA 3.26Å; D195-G197 PolarHBondContact OD1-N 2.9Å
198	R	93.5	Very high	94.7	Very high	182 Å²	182	45.2 Å²	45.2	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-41.2	174.1	-175	176.5	-178.9	176.2	-0.8	112.8	D195 V196	D195-R198 HydrophobicContact CB-CB 4.2Å; D195-R198 PolarHBondContact O-N 2.81Å; D195-R198 PolarHBondContact OD1-N 3.28Å; V196-R198 VanDerWaalsContact C-N 3.28Å
199	Y	94.9	Very high	94.8	Very high	54 Å²	54	46.8 Å²	46.8	21%	0.212	23%	0.232	C	C	.	.			trans	-102.8	81.6	-176.2	-54.6	-60.3	0	0	0	110.8	N142 D143 V194 D195 D201 V202 S203	N142-Y199 HydrophobicContact CB-CE1 4.43Å; N142-Y199 HydrophobicContact CB-CE2 4.26Å; D143-Y199 HydrophobicContact CB-CD1 3.97Å; D143-Y199 HydrophobicContact CB-CG 4.23Å; V194-Y199 HydrophobicContact CG2-CD2 4.21Å; D195-Y199 HydrophobicContact CB-CD2 4.45Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 WeakPolarHBondContact O-CD2 3.38Å; D195-Y199 PolarHBondContact O-N 2.93Å; Y199-D201 PolarHBondContact O-N 2.8Å; Y199-V202 WeakPolarHBondContact O-CB 3.5Å; Y199-V202 PolarHBondContact O-N 3.08Å; Y199-S203 PolarHBondContact O-N 3.17Å
200	T	91.8	Very high	94.6	Very high	79 Å²	79	48.7 Å²	48.7	49%	0.485	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-25.3	-178.3	50.9	0	0	0	0	113.6	S203 T204	T200-S203 PolarHBondContact O-N 3.06Å; T200-S203 PolarHBondContact O-OG 3.39Å; T200-T204 PolarHBondContact O-N 3Å; T200-T204 PolarHBondContact O-OG1 3.43Å
201	D	93.6	Very high	94.3	Very high	98 Å²	98	49.3 Å²	49.3	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-41.1	177	-63.2	-18.5	0	0	0	110.6	Y199 S203 T204 R205	Y199-D201 PolarHBondContact O-N 2.8Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-T204 PolarHBondContact O-N 3.06Å; D201-R205 VanDerWaalsContact O-CG 3.3Å; D201-R205 WeakPolarHBondContact O-CG 3.39Å; D201-R205 PolarHBondContact O-N 3.43Å
202	V	94.8	Very high	93.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-44.2	174.5	-179.3	0	0	0	0	110.2	D143 I146 F162 V194 V196 Y199 T204 R205 Y206	D143-V202 HydrophobicContact CB-CG2 4.01Å; I146-V202 HydrophobicContact CD1-CG1 4.43Å; F162-V202 HydrophobicContact CD1-CG1 4.18Å; F162-V202 HydrophobicContact CE1-CG1 3.77Å; V194-V202 HydrophobicContact CG1-CG1 4.3Å; V194-V202 HydrophobicContact CG2-CB 4.48Å; V194-V202 HydrophobicContact CG2-CG1 3.95Å; V194-V202 HydrophobicContact CG2-CG2 4.35Å; V196-V202 HydrophobicContact CG1-CB 4.41Å; V196-V202 HydrophobicContact CG1-CG1 4.09Å; Y199-V202 WeakPolarHBondContact O-CB 3.5Å; Y199-V202 PolarHBondContact O-N 3.08Å; V202-T204 VanDerWaalsContact C-N 3.27Å; V202-T204 PolarHBondContact O-N 2.76Å; V202-R205 PolarHBondContact O-N 2.93Å; V202-Y206 HydrophobicContact CG1-CD2 3.66Å; V202-Y206 HydrophobicContact CG1-CE2 4.07Å; V202-Y206 WeakPolarHBondContact O-CD2 3.29Å; V202-Y206 PolarHBondContact O-N 3.1Å
203	S	93.6	Very high	93.3	Very high	12 Å²	12	62 Å²	62	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-58.6	-42	178.6	88.5	0	0	0	0	111.6	Y199 T200 D201 K207 V208	Y199-S203 PolarHBondContact O-N 3.17Å; T200-S203 PolarHBondContact O-N 3.06Å; T200-S203 PolarHBondContact O-OG 3.39Å; D201-S203 VanDerWaalsContact C-N 3.34Å; S203-K207 CarbonylContact O-C 3.58Å; S203-K207 WeakPolarHBondContact O-CA 3.5Å; S203-K207 PolarHBondContact O-N 3.26Å; S203-V208 VanDerWaalsContact CB-O 3.3Å; S203-V208 WeakPolarHBondContact CB-O 3.38Å; S203-V208 PolarHBondContact O-N 2.85Å
204	T	93.9	Very high	93	Very high	104 Å²	104	63.7 Å²	63.7	64%	0.638	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-47.7	176.2	-53.7	0	0	0	0	111.9	T200 D201 V202 Y206 K207	T200-T204 PolarHBondContact O-N 3Å; T200-T204 PolarHBondContact O-OG1 3.43Å; D201-T204 PolarHBondContact O-N 3.06Å; V202-T204 VanDerWaalsContact C-N 3.27Å; V202-T204 PolarHBondContact O-N 2.76Å; T204-Y206 PolarHBondContact O-N 3.15Å; T204-K207 PolarHBondContact O-N 2.99Å
205	R	93.4	Very high	92.6	Very high	115 Å²	115	69.9 Å²	69.9	43%	0.434	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-46	180	-71.4	-160.7	-54.3	-101.6	14.9	112.2	D143 D147 D201 V202 K207	D143-R205 PolarHBondContact O-NH2 3.4Å; D147-R205 IonicContact OD2-CZ 3.42Å; D147-R205 IonicContact OD2-NE 3.44Å; D147-R205 PolarHBondContact OD2-NE 3.21Å; D147-R205 IonicContact OD2-NH2 2.77Å; D147-R205 PolarHBondContact OD2-NH2 2.94Å; D201-R205 VanDerWaalsContact O-CG 3.3Å; D201-R205 WeakPolarHBondContact O-CG 3.39Å; D201-R205 PolarHBondContact O-N 3.43Å; V202-R205 PolarHBondContact O-N 2.93Å; R205-K207 VanDerWaalsContact C-N 3.32Å
206	Y	93.8	Very high	92.5	Very high	31 Å²	31	69.8 Å²	69.8	12%	0.122	36%	0.361	C	S	.	.	H	α-helix	trans	-88.6	1.5	-178	-70.6	-88	0	0	0	113.7	I146 D147 F162 V202 T204 V208 I221 F223 R231	I146-Y206 HydrophobicContact CD1-CE2 4.05Å; I146-Y206 HydrophobicContact CG2-CE2 4.41Å; D147-Y206 PolarHBondContact OD1-OH 2.91Å; F162-Y206 HydrophobicContact CE1-CD1 4.04Å; F162-Y206 AromaticContact CE1-CD2 3.73Å; F162-Y206 HydrophobicContact CE1-CD2 3.73Å; F162-Y206 HydrophobicContact CE1-CE2 4.38Å; F162-Y206 AromaticContact CE1-CG 3.54Å; F162-Y206 HydrophobicContact CE1-CG 3.54Å; F162-Y206 AromaticContact CZ-CD1 3.72Å; F162-Y206 HydrophobicContact CZ-CD1 3.72Å; F162-Y206 HydrophobicContact CZ-CD2 4.16Å; F162-Y206 HydrophobicContact CZ-CE1 4.14Å; F162-Y206 AromaticContact CZ-CG 3.73Å; F162-Y206 HydrophobicContact CZ-CG 3.73Å; V202-Y206 HydrophobicContact CG1-CD2 3.66Å; V202-Y206 HydrophobicContact CG1-CE2 4.07Å; V202-Y206 WeakPolarHBondContact O-CD2 3.29Å; V202-Y206 PolarHBondContact O-N 3.1Å; T204-Y206 PolarHBondContact O-N 3.15Å; Y206-V208 VanDerWaalsContact C-N 3.31Å; Y206-V208 PolarHBondContact O-N 3.38Å; Y206-I221 HydrophobicContact CD1-CD1 4.41Å; Y206-F223 HydrophobicContact CD1-CE1 4.38Å; Y206-F223 AromaticContact CD1-CZ 3.94Å; Y206-F223 HydrophobicContact CD1-CZ 3.94Å; Y206-F223 AromaticContact CE1-CE1 3.72Å; Y206-F223 HydrophobicContact CE1-CE1 3.72Å; Y206-F223 AromaticContact CE1-CZ 3.48Å; Y206-F223 HydrophobicContact CE1-CZ 3.48Å; Y206-F223 VanDerWaalsContact CE1-CZ 3.48Å; Y206-R231 PolarHBondContact O-NH1 2.9Å; Y206-R231 PolarHBondContact O-NH2 3.1Å; Y206-R231 VanDerWaalsContact O-NH2 3.16Å
207	K	94.4	Very high	92.4	Very high	163 Å²	163	70.3 Å²	70.3	71%	0.709	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	44.4	-179.9	-55.9	177.3	-178.1	176.8	0	112.3	S203 T204 R205	S203-K207 CarbonylContact O-C 3.58Å; S203-K207 WeakPolarHBondContact O-CA 3.5Å; S203-K207 PolarHBondContact O-N 3.26Å; T204-K207 PolarHBondContact O-N 2.99Å; R205-K207 VanDerWaalsContact C-N 3.32Å
208	V	94.9	Very high	92.5	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.018	35%	0.349	C	S	.	.			trans	-103.4	110	175.4	-177.6	0	0	0	0	108	F162 V196 S203 Y206 T210 L217 T219	F162-V208 HydrophobicContact CB-CG1 4.27Å; F162-V208 HydrophobicContact CB-CG2 4.3Å; F162-V208 HydrophobicContact CD1-CG2 4.15Å; F162-V208 HydrophobicContact CG-CG2 4.2Å; V196-V208 HydrophobicContact CG2-CG1 4.29Å; S203-V208 VanDerWaalsContact CB-O 3.3Å; S203-V208 WeakPolarHBondContact CB-O 3.38Å; S203-V208 PolarHBondContact O-N 2.85Å; Y206-V208 VanDerWaalsContact C-N 3.31Å; Y206-V208 PolarHBondContact O-N 3.38Å; V208-T210 PolarHBondContact O-N 3.4Å; V208-L217 HydrophobicContact CG1-CD2 4Å; V208-T219 HydrophobicContact CG2-CG2 4.27Å
209	S	93.1	Very high	92.7	Very high	45 Å²	45	60.4 Å²	60.4	32%	0.315	32%	0.317	S	S	.	.			trans	-72	128.1	176.6	-169.6	0	0	0	0	110.4	S211 Q216	S209-S211 VanDerWaalsContact C-N 3.35Å; S209-S211 PolarHBondContact OG-N 3.25Å; S209-Q216 VanDerWaalsContact CB-OE1 3.3Å
210	T	92.2	Very high	92.8	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.252	31%	0.307	S	S	.	.			trans	-94.9	10.8	175.6	54.2	0	0	0	0	112.4	W166 V196 V208	W166-T210 WeakPolarHBondContact CH2-O 3.23Å; W166-T210 WeakPolarHBondContact CZ2-O 3.4Å; V196-T210 HydrophobicContact CB-CG2 3.99Å; V196-T210 HydrophobicContact CG2-CG2 3.9Å; V196-T210 WeakPolarHBondContact O-CG2 3.39Å; V208-T210 PolarHBondContact O-N 3.4Å
211	S	90.7	Very high	93.1	Very high	44 Å²	44	54 Å²	54	31%	0.308	28%	0.284	S	S	.	.			trans	-71.6	132.7	178.3	169.3	0	0	0	0	110.5	S209 L213 T214	S209-S211 VanDerWaalsContact C-N 3.35Å; S209-S211 PolarHBondContact OG-N 3.25Å; S211-L213 PolarHBondContact O-N 3.49Å; S211-L213 VanDerWaalsContact O-N 3.11Å; S211-L213 PolarHBondContact OG-N 3.32Å; S211-T214 PolarHBondContact O-N 2.86Å; S211-T214 PolarHBondContact O-OG1 3.17Å
212	P	86.8	Confident	93.3	Very high	104 Å²	104	49.7 Å²	49.7	68%	0.675	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	-179.6	28.3	-36.2	0	0	0	113.2	W166 T214	W166-P212 HydrophobicContact CH2-CB 4.36Å; W166-P212 HydrophobicContact CZ3-CB 3.94Å; P212-T214 VanDerWaalsContact C-N 3.34Å
213	L	87	Confident	93.4	Very high	163 Å²	163	50 Å²	50	85%	0.853	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.4	176	-59.4	178.4	0	0	0	112.7	S211	S211-L213 PolarHBondContact O-N 3.49Å; S211-L213 VanDerWaalsContact O-N 3.11Å; S211-L213 PolarHBondContact OG-N 3.32Å
214	T	89.5	Confident	93.5	Very high	51 Å²	51	52.3 Å²	52.3	31%	0.313	27%	0.272	S	S	.	.	S	Bend	trans	-96.3	151	-178.9	74.3	0	0	0	0	110.7	S211 P212 Q216	S211-T214 PolarHBondContact O-N 2.86Å; S211-T214 PolarHBondContact O-OG1 3.17Å; P212-T214 VanDerWaalsContact C-N 3.34Å; T214-Q216 VanDerWaalsContact C-N 3.26Å; T214-Q216 PolarHBondContact O-N 2.88Å
215	K	89.4	Confident	93.4	Very high	129 Å²	129	49.1 Å²	49.1	56%	0.561	26%	0.259	S	S	*	.	S	Bend	trans	-94.1	30	174.1	-61.2	-178	175.9	-177.4	0	112.3	P233 A241	K215-P233 VanDerWaalsContact O-CG 3.24Å; K215-P233 WeakPolarHBondContact O-CG 3.47Å; K215-A241 HydrophobicContact CB-CB 4.01Å; K215-A241 VanDerWaalsContact O-CB 3.32Å; K215-A241 WeakPolarHBondContact O-CB 3.06Å
216	Q	93.3	Very high	93.2	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.084	25%	0.254	C	S	.	.			trans	-89.5	-4.1	-179.1	-71.6	-168.8	15.2	0	0	112.8	S209 T214 P218 T219 I235 G239 A241	S209-Q216 VanDerWaalsContact CB-OE1 3.3Å; T214-Q216 VanDerWaalsContact C-N 3.26Å; T214-Q216 PolarHBondContact O-N 2.88Å; Q216-P218 CarbonylContact O-C 3.52Å; Q216-T219 WeakPolarHBondContact O-CB 3.45Å; Q216-T219 PolarHBondContact O-N 2.92Å; Q216-T219 PolarHBondContact O-OG1 3.36Å; Q216-I235 HydrophobicContact CG-CD1 3.89Å; Q216-G239 PolarHBondContact NE2-O 3.4Å; Q216-A241 HydrophobicContact CG-CB 3.77Å
217	L	93.5	Very high	93.2	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.058	28%	0.28	C	S	.	.			trans	-116	134.9	175	-69.9	174.5	0	0	0	110.4	F162 A164 W166 V196 V208	F162-L217 WeakPolarHBondContact O-CD2 3.36Å; A164-L217 HydrophobicContact CB-CD1 3.73Å; W166-L217 HydrophobicContact CH2-CD1 3.53Å; W166-L217 HydrophobicContact CZ2-CD1 3.67Å; W166-L217 HydrophobicContact CZ3-CD1 4.44Å; V196-L217 HydrophobicContact CG2-CD2 3.65Å; V208-L217 HydrophobicContact CG1-CD2 4Å
218	P	95.4	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	S	Bend	cis	-63.9	160.3	-12.3	21.7	-24.5	0	0	0	112	E161 F173 Q216 F246	E161-P218 HydrophobicContact CG-CB 4.26Å; F173-P218 HydrophobicContact CB-CG 4.09Å; F173-P218 HydrophobicContact CD1-CB 4.29Å; F173-P218 HydrophobicContact CD1-CG 4.01Å; F173-P218 HydrophobicContact CG-CG 4.22Å; Q216-P218 CarbonylContact O-C 3.52Å; P218-F246 HydrophobicContact CB-CE1 4.17Å; P218-F246 HydrophobicContact CB-CZ 4.4Å; P218-F246 HydrophobicContact CG-CD1 3.83Å; P218-F246 HydrophobicContact CG-CD2 4.26Å; P218-F246 HydrophobicContact CG-CE1 3.63Å; P218-F246 HydrophobicContact CG-CE2 4.08Å; P218-F246 HydrophobicContact CG-CG 4.16Å; P218-F246 HydrophobicContact CG-CZ 3.79Å; P218-F246 WeakPolarHBondContact O-CZ 3.32Å
219	T	96.9	Very high	93.3	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.9	165.2	-79.9	0	0	0	0	109	E161 F162 V208 Q216 I221 R232	E161-T219 WeakPolarHBondContact CA-O 3.39Å; F162-T219 PolarHBondContact N-O 3.23Å; F162-T219 PolarHBondContact O-N 2.9Å; V208-T219 HydrophobicContact CG2-CG2 4.27Å; Q216-T219 WeakPolarHBondContact O-CB 3.45Å; Q216-T219 PolarHBondContact O-N 2.92Å; Q216-T219 PolarHBondContact O-OG1 3.36Å; T219-I221 HydrophobicContact CG2-CD1 4.09Å; T219-I221 HydrophobicContact CG2-CG1 3.67Å; T219-R232 CarbonylContact C-O 3.59Å; T219-R232 WeakPolarHBondContact CA-O 3.3Å
220	L	97.9	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	171	-70.3	175	0	0	0	109.5	I159 E161 F173 Y177 R231 R232 W244 F246 V251 F255	I159-L220 HydrophobicContact CG2-CD2 4.41Å; E161-L220 HydrophobicContact CB-CD2 3.74Å; E161-L220 HydrophobicContact CG-CD2 4.08Å; F173-L220 HydrophobicContact CE1-CD1 4.06Å; F173-L220 HydrophobicContact CE1-CD2 3.96Å; F173-L220 HydrophobicContact CE1-CG 4.2Å; F173-L220 HydrophobicContact CZ-CD1 3.76Å; F173-L220 HydrophobicContact CZ-CD2 4.37Å; F173-L220 HydrophobicContact CZ-CG 4.4Å; Y177-L220 HydrophobicContact CD2-CD2 3.95Å; Y177-L220 HydrophobicContact CE2-CD2 3.59Å; L220-R231 CarbonylContact O-C 3.58Å; L220-R231 WeakPolarHBondContact O-CA 3.46Å; L220-R232 PolarHBondContact N-O 3.14Å; L220-R232 PolarHBondContact O-N 3.18Å; L220-W244 HydrophobicContact CD1-CH2 4.39Å; L220-W244 HydrophobicContact CD1-CZ3 4.34Å; L220-F246 HydrophobicContact CD1-CE1 4.39Å; L220-F246 HydrophobicContact CG-CE1 4.38Å; L220-V251 HydrophobicContact CD1-CG1 4.13Å; L220-V251 HydrophobicContact CD1-CG2 3.92Å; L220-F255 HydrophobicContact CB-CE1 4.39Å; L220-F255 HydrophobicContact CB-CE2 4.07Å; L220-F255 HydrophobicContact CB-CZ 3.57Å; L220-F255 HydrophobicContact CD1-CE2 4.03Å; L220-F255 HydrophobicContact CD1-CZ 4.37Å
221	I	97.6	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132	174.4	-49.1	-171	0	0	0	109.4	V160 F162 Y206 T219 F223 E228 M230 R231	V160-I221 PolarHBondContact N-O 3.47Å; V160-I221 PolarHBondContact O-N 3.44Å; F162-I221 HydrophobicContact CD2-CB 4.46Å; F162-I221 HydrophobicContact CD2-CD1 3.92Å; F162-I221 HydrophobicContact CD2-CG1 3.84Å; F162-I221 HydrophobicContact CE2-CB 3.89Å; F162-I221 HydrophobicContact CE2-CD1 3.51Å; F162-I221 HydrophobicContact CE2-CG1 3.61Å; F162-I221 HydrophobicContact CZ-CD1 3.95Å; Y206-I221 HydrophobicContact CD1-CD1 4.41Å; T219-I221 HydrophobicContact CG2-CD1 4.09Å; T219-I221 HydrophobicContact CG2-CG1 3.67Å; I221-F223 HydrophobicContact CB-CD2 4.46Å; I221-F223 HydrophobicContact CB-CE2 3.69Å; I221-F223 HydrophobicContact CB-CZ 3.9Å; I221-F223 HydrophobicContact CD1-CZ 4.46Å; I221-F223 HydrophobicContact CG2-CD2 4.21Å; I221-F223 HydrophobicContact CG2-CE1 3.96Å; I221-F223 HydrophobicContact CG2-CE2 3.61Å; I221-F223 HydrophobicContact CG2-CZ 3.46Å; I221-F223 VanDerWaalsContact CG2-CZ 3.46Å; I221-E228 HydrophobicContact CG2-CB 4.13Å; I221-E228 HydrophobicContact CG2-CG 3.53Å; I221-M230 WeakPolarHBondContact CA-O 3.44Å; I221-R231 HydrophobicContact CG1-CB 3.99Å
222	L	97.6	Very high	93.9	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.2	172.5	177.3	68.7	0	0	0	109.7	T157 W158 I159 Q224 V229 M230 F255 L260	T157-L222 HydrophobicContact CG2-CD1 3.43Å; T157-L222 VanDerWaalsContact CG2-CD1 3.43Å; W158-L222 WeakPolarHBondContact O-CA 3.2Å; I159-L222 HydrophobicContact CD1-CD1 4.03Å; I159-L222 HydrophobicContact CG1-CB 4.32Å; I159-L222 HydrophobicContact CG1-CD1 3.56Å; L222-Q224 HydrophobicContact CG-CG 4.41Å; L222-V229 HydrophobicContact CD2-CB 4.24Å; L222-V229 HydrophobicContact CD2-CG1 4.34Å; L222-V229 HydrophobicContact CG-CB 4.39Å; L222-V229 PolarHBondContact O-N 3.33Å; L222-M230 HydrophobicContact CB-CG 3.71Å; L222-M230 HydrophobicContact CD2-CG 3.88Å; L222-M230 HydrophobicContact CD2-SD 4.1Å; L222-M230 HydrophobicContact CG-CG 4.42Å; L222-M230 PolarHBondContact N-O 3.29Å; L222-F255 HydrophobicContact CB-CD1 3.86Å; L222-F255 HydrophobicContact CB-CE1 3.95Å; L222-F255 HydrophobicContact CD2-CD1 4.47Å; L222-L260 HydrophobicContact CD1-CD1 3.9Å; L222-L260 HydrophobicContact CD2-CD1 4.12Å
223	F	96.9	Very high	94.3	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.5	174.7	-60.7	-85.8	0	0	0	110.8	L150 T157 W158 V160 F162 Y206 I221 K227 E228	L150-F223 HydrophobicContact CD1-CD1 4.17Å; L150-F223 HydrophobicContact CD1-CD2 4.28Å; L150-F223 HydrophobicContact CD1-CE1 4.21Å; L150-F223 HydrophobicContact CD1-CE2 4.3Å; L150-F223 HydrophobicContact CD1-CG 4.21Å; L150-F223 HydrophobicContact CD1-CZ 4.27Å; L150-F223 HydrophobicContact CD2-CB 4Å; L150-F223 HydrophobicContact CD2-CD2 4.07Å; L150-F223 HydrophobicContact CD2-CG 4Å; T157-F223 WeakPolarHBondContact CA-O 3.38Å; W158-F223 HydrophobicContact CB-CB 4.24Å; W158-F223 PolarHBondContact N-O 3.49Å; W158-F223 PolarHBondContact O-N 3.5Å; V160-F223 HydrophobicContact CB-CD2 4.39Å; V160-F223 HydrophobicContact CB-CE2 4Å; V160-F223 HydrophobicContact CG2-CD2 3.84Å; V160-F223 HydrophobicContact CG2-CE2 3.86Å; F162-F223 HydrophobicContact CE2-CE2 4.21Å; F162-F223 HydrophobicContact CE2-CZ 4.39Å; F162-F223 HydrophobicContact CZ-CE2 4.38Å; F162-F223 HydrophobicContact CZ-CZ 4.25Å; Y206-F223 HydrophobicContact CD1-CE1 4.38Å; Y206-F223 AromaticContact CD1-CZ 3.94Å; Y206-F223 HydrophobicContact CD1-CZ 3.94Å; Y206-F223 AromaticContact CE1-CE1 3.72Å; Y206-F223 HydrophobicContact CE1-CE1 3.72Å; Y206-F223 AromaticContact CE1-CZ 3.48Å; Y206-F223 HydrophobicContact CE1-CZ 3.48Å; Y206-F223 VanDerWaalsContact CE1-CZ 3.48Å; I221-F223 HydrophobicContact CB-CD2 4.46Å; I221-F223 HydrophobicContact CB-CE2 3.69Å; I221-F223 HydrophobicContact CB-CZ 3.9Å; I221-F223 HydrophobicContact CD1-CZ 4.46Å; I221-F223 HydrophobicContact CG2-CD2 4.21Å; I221-F223 HydrophobicContact CG2-CE1 3.96Å; I221-F223 HydrophobicContact CG2-CE2 3.61Å; I221-F223 HydrophobicContact CG2-CZ 3.46Å; I221-F223 VanDerWaalsContact CG2-CZ 3.46Å; F223-K227 CarbonylContact C-O 3.35Å; F223-K227 VanDerWaalsContact CA-O 3.26Å; F223-K227 WeakPolarHBondContact CA-O 3.29Å; F223-E228 HydrophobicContact CD1-CB 4.29Å; F223-E228 HydrophobicContact CE1-CB 4.04Å
224	Q	94.7	Very high	94.7	Very high	60 Å²	60	42.9 Å²	42.9	28%	0.28	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.9	171.3	-63.8	-179	-17.3	0	0	108.9	T157 L222 G226 K227 V229	T157-Q224 HydrophobicContact CG2-CG 3.81Å; L222-Q224 HydrophobicContact CG-CG 4.41Å; Q224-G226 PolarHBondContact O-N 3.49Å; Q224-K227 PolarHBondContact N-O 3.22Å; Q224-K227 PolarHBondContact O-N 2.86Å; Q224-V229 HydrophobicContact CB-CG2 3.64Å; Q224-V229 HydrophobicContact CG-CG2 3.83Å
225	G	91.9	Very high	94.8	Very high	37 Å²	37	43.4 Å²	43.4	38%	0.381	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	24.6	-178.1	0	0	0	0	0	113.9	K154 K227	K154-G225 VanDerWaalsContact O-CA 3.26Å; K154-G225 WeakPolarHBondContact O-CA 3.46Å; K154-G225 PolarHBondContact O-N 3.43Å; G225-K227 VanDerWaalsContact C-N 3.26Å; G225-K227 PolarHBondContact O-N 2.94Å
226	G	90.5	Very high	94.9	Very high	31 Å²	31	40.4 Å²	40.4	32%	0.32	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	10.9	-173.5	0	0	0	0	0	114.7	Q224	Q224-G226 PolarHBondContact O-N 3.49Å
227	K	93.3	Very high	94.9	Very high	156 Å²	156	49.6 Å²	49.6	68%	0.678	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.4	178.7	-64.7	-177	-177.9	179.8	0	111.1	F223 Q224 G225 V229	F223-K227 CarbonylContact C-O 3.35Å; F223-K227 VanDerWaalsContact CA-O 3.26Å; F223-K227 WeakPolarHBondContact CA-O 3.29Å; Q224-K227 PolarHBondContact N-O 3.22Å; Q224-K227 PolarHBondContact O-N 2.86Å; G225-K227 VanDerWaalsContact C-N 3.26Å; G225-K227 PolarHBondContact O-N 2.94Å; K227-V229 PolarHBondContact O-N 3.33Å
228	E	95.4	Very high	94.6	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123	169.8	173	175	169	0	0	110.4	I221 F223 R231	I221-E228 HydrophobicContact CG2-CB 4.13Å; I221-E228 HydrophobicContact CG2-CG 3.53Å; F223-E228 HydrophobicContact CD1-CB 4.29Å; F223-E228 HydrophobicContact CE1-CB 4.04Å; E228-R231 VanDerWaalsContact CD-NH2 3.29Å; E228-R231 IonicContact OE1-CZ 3.29Å; E228-R231 VanDerWaalsContact OE1-CZ 3.29Å; E228-R231 IonicContact OE1-NE 3.4Å; E228-R231 PolarHBondContact OE1-NE 3.46Å; E228-R231 IonicContact OE1-NH2 3.14Å; E228-R231 PolarHBondContact OE1-NH2 3.41Å; E228-R231 VanDerWaalsContact OE1-NH2 3.14Å; E228-R231 IonicContact OE2-CZ 3.61Å; E228-R231 IonicContact OE2-NE 3.57Å; E228-R231 IonicContact OE2-NH2 2.67Å; E228-R231 PolarHBondContact OE2-NH2 3.49Å
229	V	95.7	Very high	94.1	Very high	81 Å²	81	59 Å²	59	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-43.8	176.2	178.4	0	0	0	0	110.8	L222 Q224 K227	L222-V229 HydrophobicContact CD2-CB 4.24Å; L222-V229 HydrophobicContact CD2-CG1 4.34Å; L222-V229 HydrophobicContact CG-CB 4.39Å; L222-V229 PolarHBondContact O-N 3.33Å; Q224-V229 HydrophobicContact CB-CG2 3.64Å; Q224-V229 HydrophobicContact CG-CG2 3.83Å; K227-V229 PolarHBondContact O-N 3.33Å
230	M	95.6	Very high	93.8	Very high	46 Å²	46	66.5 Å²	66.5	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.9	-178.9	62.3	177.1	-69.9	0	0	111.7	I221 L222 R232 E254 F255	I221-M230 WeakPolarHBondContact CA-O 3.44Å; L222-M230 HydrophobicContact CB-CG 3.71Å; L222-M230 HydrophobicContact CD2-CG 3.88Å; L222-M230 HydrophobicContact CD2-SD 4.1Å; L222-M230 HydrophobicContact CG-CG 4.42Å; L222-M230 PolarHBondContact N-O 3.29Å; M230-R232 HydrophobicContact CE-CG 4.42Å; M230-E254 HydrophobicContact CE-CB 4.46Å; M230-E254 VanDerWaalsContact CE-O 3.3Å; M230-E254 WeakPolarHBondContact CE-O 3.44Å; M230-F255 HydrophobicContact CE-CD1 3.76Å; M230-F255 HydrophobicContact CE-CD2 4.29Å; M230-F255 HydrophobicContact CE-CE1 3.82Å; M230-F255 HydrophobicContact CE-CE2 4.34Å; M230-F255 HydrophobicContact CE-CG 4.02Å; M230-F255 HydrophobicContact CE-CZ 4.12Å; M230-F255 HydrophobicContact CG-CD1 3.99Å; M230-F255 HydrophobicContact CG-CE1 3.91Å; M230-F255 HydrophobicContact SD-CD1 3.74Å; M230-F255 HydrophobicContact SD-CE1 4.14Å; M230-F255 HydrophobicContact SD-CG 4.29Å
231	R	96.5	Very high	93.5	Very high	45 Å²	45	67.5 Å²	67.5	17%	0.17	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.4	173.1	66.9	171.3	67.7	-163.1	-3.4	112.7	Y206 L220 I221 E228	Y206-R231 PolarHBondContact O-NH1 2.9Å; Y206-R231 PolarHBondContact O-NH2 3.1Å; Y206-R231 VanDerWaalsContact O-NH2 3.16Å; L220-R231 CarbonylContact O-C 3.58Å; L220-R231 WeakPolarHBondContact O-CA 3.46Å; I221-R231 HydrophobicContact CG1-CB 3.99Å; E228-R231 VanDerWaalsContact CD-NH2 3.29Å; E228-R231 IonicContact OE1-CZ 3.29Å; E228-R231 VanDerWaalsContact OE1-CZ 3.29Å; E228-R231 IonicContact OE1-NE 3.4Å; E228-R231 PolarHBondContact OE1-NE 3.46Å; E228-R231 IonicContact OE1-NH2 3.14Å; E228-R231 PolarHBondContact OE1-NH2 3.41Å; E228-R231 VanDerWaalsContact OE1-NH2 3.14Å; E228-R231 IonicContact OE2-CZ 3.61Å; E228-R231 IonicContact OE2-NE 3.57Å; E228-R231 IonicContact OE2-NH2 2.67Å; E228-R231 PolarHBondContact OE2-NH2 3.49Å
232	R	96.4	Very high	93.2	Very high	39 Å²	39	71 Å²	71	15%	0.147	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.4	168.2	-67.4	-64.6	-175.1	-173.9	-4	109.6	T219 L220 M230 Q234 W244 E254 F255	T219-R232 CarbonylContact C-O 3.59Å; T219-R232 WeakPolarHBondContact CA-O 3.3Å; L220-R232 PolarHBondContact N-O 3.14Å; L220-R232 PolarHBondContact O-N 3.18Å; M230-R232 HydrophobicContact CE-CG 4.42Å; R232-Q234 VanDerWaalsContact NH1-CG 3.31Å; R232-W244 HydrophobicContact CB-CD2 4.03Å; R232-W244 HydrophobicContact CB-CE3 3.73Å; R232-W244 HydrophobicContact CB-CH2 4.01Å; R232-W244 HydrophobicContact CB-CZ2 4.31Å; R232-W244 HydrophobicContact CB-CZ3 3.69Å; R232-W244 HydrophobicContact CG-CD2 4.38Å; R232-W244 HydrophobicContact CG-CH2 4.3Å; R232-W244 HydrophobicContact CG-CZ2 4.19Å; R232-W244 HydrophobicContact CG-CZ3 4.44Å; R232-E254 IonicContact CZ-OE2 2.85Å; R232-E254 IonicContact NE-OE2 2.65Å; R232-E254 IonicContact NH2-OE2 2.73Å; R232-E254 PolarHBondContact NH2-OE2 3.49Å; R232-F255 HydrophobicContact CB-CE2 4.01Å; R232-F255 HydrophobicContact CB-CZ 3.97Å; R232-F255 HydrophobicContact CG-CE2 3.73Å; R232-F255 HydrophobicContact CG-CZ 3.84Å
233	P	95.8	Very high	92.8	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.013	39%	0.388	C	S	.	.	S	Bend	cis	-71.5	156.8	-0	25.9	-22.6	0	0	0	112.2	K215 A241 V242 W244	K215-P233 VanDerWaalsContact O-CG 3.24Å; K215-P233 WeakPolarHBondContact O-CG 3.47Å; P233-A241 HydrophobicContact CB-CB 4.24Å; P233-A241 HydrophobicContact CG-CB 3.86Å; P233-V242 WeakPolarHBondContact CB-O 3.33Å; P233-W244 HydrophobicContact CB-CB 4.11Å
234	Q	93.9	Very high	92.6	Very high	100 Å²	100	76.4 Å²	76.4	47%	0.467	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-71.4	146.4	174.3	-85.2	175	-24.2	0	0	110.3	R232 A241 V242	R232-Q234 VanDerWaalsContact NH1-CG 3.31Å; Q234-A241 WeakPolarHBondContact O-CA 3.06Å; Q234-V242 HydrophobicContact CB-CG2 4.48Å; Q234-V242 PolarHBondContact O-N 2.96Å
235	I	93.1	Very high	92.4	Very high	62 Å²	62	77.3 Å²	77.3	32%	0.318	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-100.5	121.3	176.5	-52.3	-53.4	0	0	0	108.5	Q216 A241	Q216-I235 HydrophobicContact CG-CD1 3.89Å; I235-A241 HydrophobicContact CD1-CB 4.08Å
236	D	91.9	Very high	92.3	Very high	66 Å²	66	77.3 Å²	77.3	35%	0.353	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-66	163.3	174.9	-175.1	20.5	0	0	0	110.7	K238 G239 R240 V242	D236-K238 PolarHBondContact O-N 2.9Å; D236-G239 PolarHBondContact O-N 3.24Å; D236-R240 WeakPolarHBondContact CB-O 3.18Å; D236-R240 PolarHBondContact N-O 2.93Å; D236-V242 HydrophobicContact CB-CG2 4.33Å
237	K	91.6	Very high	92.4	Very high	211 Å²	211	76.2 Å²	76.2	92%	0.917	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.7	177.8	-64.2	-176.9	179.8	-178.9	0	113.1	G239	K237-G239 VanDerWaalsContact C-N 3.32Å
238	K	88.9	Confident	92.4	Very high	164 Å²	164	71.6 Å²	71.6	71%	0.713	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	6.5	176.8	-59.1	-176.3	-179.5	-176.4	0	114.1	D236 R240	D236-K238 PolarHBondContact O-N 2.9Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3.3Å
239	G	84.3	Confident	92.4	Very high	43 Å²	43	73.9 Å²	73.9	44%	0.443	37%	0.372	S	S	.	.	S	Bend	trans	78	9.8	-179.1	0	0	0	0	0	115	Q216 D236 K237	Q216-G239 PolarHBondContact NE2-O 3.4Å; D236-G239 PolarHBondContact O-N 3.24Å; K237-G239 VanDerWaalsContact C-N 3.32Å
240	R	90.1	Very high	92.4	Very high	162 Å²	162	71.5 Å²	71.5	61%	0.611	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-95.5	137.1	-178.8	-61.7	-172.2	-58.3	176.2	3.9	111.1	D236 K238 V242	D236-R240 WeakPolarHBondContact CB-O 3.18Å; D236-R240 PolarHBondContact N-O 2.93Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3.3Å; R240-V242 PolarHBondContact O-N 2.94Å
241	A	91.4	Very high	92.4	Very high	20 Å²	20	69.3 Å²	69.3	17%	0.165	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-67.2	125.3	171.8	0	0	0	0	0	111.1	K215 Q216 P233 Q234 I235	K215-A241 HydrophobicContact CB-CB 4.01Å; K215-A241 VanDerWaalsContact O-CB 3.32Å; K215-A241 WeakPolarHBondContact O-CB 3.06Å; Q216-A241 HydrophobicContact CG-CB 3.77Å; P233-A241 HydrophobicContact CB-CB 4.24Å; P233-A241 HydrophobicContact CG-CB 3.86Å; Q234-A241 WeakPolarHBondContact O-CA 3.06Å; I235-A241 HydrophobicContact CD1-CB 4.08Å
242	V	92.7	Very high	92.4	Very high	74 Å²	74	68.4 Å²	68.4	45%	0.448	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-70.5	127.7	170	-179	0	0	0	0	107.9	P233 Q234 D236 R240 W244	P233-V242 WeakPolarHBondContact CB-O 3.33Å; Q234-V242 HydrophobicContact CB-CG2 4.48Å; Q234-V242 PolarHBondContact O-N 2.96Å; D236-V242 HydrophobicContact CB-CG2 4.33Å; R240-V242 PolarHBondContact O-N 2.94Å; V242-W244 PolarHBondContact O-N 3.16Å; V242-W244 VanDerWaalsContact O-N 3.16Å
243	S	88.6	Confident	92.4	Very high	86 Å²	86	73.7 Å²	73.7	60%	0.601	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-57	122.7	-178.3	-157.8	0	0	0	0	110
244	W	91.6	Very high	92.4	Very high	41 Å²	41	76 Å²	76	16%	0.155	38%	0.375	C	S	.	.			trans	-133.8	143.2	179	-176.5	68.7	0	0	0	109.5	L220 R232 P233 V242 F246 N250 V251 E254 F255	L220-W244 HydrophobicContact CD1-CH2 4.39Å; L220-W244 HydrophobicContact CD1-CZ3 4.34Å; R232-W244 HydrophobicContact CB-CD2 4.03Å; R232-W244 HydrophobicContact CB-CE3 3.73Å; R232-W244 HydrophobicContact CB-CH2 4.01Å; R232-W244 HydrophobicContact CB-CZ2 4.31Å; R232-W244 HydrophobicContact CB-CZ3 3.69Å; R232-W244 HydrophobicContact CG-CD2 4.38Å; R232-W244 HydrophobicContact CG-CH2 4.3Å; R232-W244 HydrophobicContact CG-CZ2 4.19Å; R232-W244 HydrophobicContact CG-CZ3 4.44Å; P233-W244 HydrophobicContact CB-CB 4.11Å; V242-W244 PolarHBondContact O-N 3.16Å; V242-W244 VanDerWaalsContact O-N 3.16Å; W244-F246 AromaticContact CE3-CD1 3.81Å; W244-F246 HydrophobicContact CE3-CD1 3.81Å; W244-F246 AromaticContact CE3-CD2 4Å; W244-F246 HydrophobicContact CE3-CD2 4Å; W244-F246 AromaticContact CE3-CE1 3.64Å; W244-F246 HydrophobicContact CE3-CE1 3.64Å; W244-F246 AromaticContact CE3-CE2 3.83Å; W244-F246 HydrophobicContact CE3-CE2 3.83Å; W244-F246 AromaticContact CE3-CG 3.97Å; W244-F246 HydrophobicContact CE3-CG 3.97Å; W244-F246 AromaticContact CE3-CZ 3.62Å; W244-F246 HydrophobicContact CE3-CZ 3.62Å; W244-F246 HydrophobicContact CH2-CD1 4.37Å; W244-F246 AromaticContact CZ3-CD1 3.33Å; W244-F246 HydrophobicContact CZ3-CD1 3.33Å; W244-F246 HydrophobicContact CZ3-CD2 4.35Å; W244-F246 AromaticContact CZ3-CE1 3.32Å; W244-F246 HydrophobicContact CZ3-CE1 3.32Å; W244-F246 HydrophobicContact CZ3-CE2 4.34Å; W244-F246 AromaticContact CZ3-CG 3.86Å; W244-F246 HydrophobicContact CZ3-CG 3.86Å; W244-F246 AromaticContact CZ3-CZ 3.83Å; W244-F246 HydrophobicContact CZ3-CZ 3.83Å; W244-N250 HydrophobicContact CZ2-CB 3.79Å; W244-V251 HydrophobicContact CH2-CG2 3.74Å; W244-E254 HydrophobicContact CZ2-CB 4.48Å; W244-E254 HydrophobicContact CZ2-CG 4.16Å; W244-F255 HydrophobicContact CH2-CE2 4.25Å
245	T	90.1	Very high	92.5	Very high	79 Å²	79	71.4 Å²	71.4	49%	0.485	35%	0.353	S	S	.	.			trans	-95.6	117.2	-177.2	-57.9	0	0	0	0	109.7	I84 S247 N250	I84-T245 HydrophobicContact CD1-CG2 3.5Å; I84-T245 VanDerWaalsContact CD1-CG2 3.5Å; T245-S247 PolarHBondContact O-N 3.32Å; T245-S247 VanDerWaalsContact O-N 3.12Å; T245-N250 PolarHBondContact O-ND2 3.43Å
246	F	91.6	Very high	92.6	Very high	37 Å²	37	72.5 Å²	72.5	16%	0.162	36%	0.36	C	S	.	.			trans	-77.5	91.3	175.6	-69.3	-93.9	0	0	0	110.4	F173 P218 L220 W244	F173-F246 HydrophobicContact CD1-CD1 4.29Å; F173-F246 HydrophobicContact CD2-CB 3.64Å; F173-F246 HydrophobicContact CD2-CD1 4.04Å; F173-F246 HydrophobicContact CD2-CG 4.27Å; F173-F246 HydrophobicContact CE1-CD1 4.32Å; F173-F246 HydrophobicContact CE2-CB 4.09Å; F173-F246 HydrophobicContact CE2-CD1 4.07Å; F173-F246 HydrophobicContact CG-CB 4.22Å; F173-F246 HydrophobicContact CG-CD1 4.15Å; F173-F246 HydrophobicContact CG-CG 4.49Å; F173-F246 HydrophobicContact CZ-CD1 4.23Å; P218-F246 HydrophobicContact CB-CE1 4.17Å; P218-F246 HydrophobicContact CB-CZ 4.4Å; P218-F246 HydrophobicContact CG-CD1 3.83Å; P218-F246 HydrophobicContact CG-CD2 4.26Å; P218-F246 HydrophobicContact CG-CE1 3.63Å; P218-F246 HydrophobicContact CG-CE2 4.08Å; P218-F246 HydrophobicContact CG-CG 4.16Å; P218-F246 HydrophobicContact CG-CZ 3.79Å; P218-F246 WeakPolarHBondContact O-CZ 3.32Å; L220-F246 HydrophobicContact CD1-CE1 4.39Å; L220-F246 HydrophobicContact CG-CE1 4.38Å; W244-F246 AromaticContact CE3-CD1 3.81Å; W244-F246 HydrophobicContact CE3-CD1 3.81Å; W244-F246 AromaticContact CE3-CD2 4Å; W244-F246 HydrophobicContact CE3-CD2 4Å; W244-F246 AromaticContact CE3-CE1 3.64Å; W244-F246 HydrophobicContact CE3-CE1 3.64Å; W244-F246 AromaticContact CE3-CE2 3.83Å; W244-F246 HydrophobicContact CE3-CE2 3.83Å; W244-F246 AromaticContact CE3-CG 3.97Å; W244-F246 HydrophobicContact CE3-CG 3.97Å; W244-F246 AromaticContact CE3-CZ 3.62Å; W244-F246 HydrophobicContact CE3-CZ 3.62Å; W244-F246 HydrophobicContact CH2-CD1 4.37Å; W244-F246 AromaticContact CZ3-CD1 3.33Å; W244-F246 HydrophobicContact CZ3-CD1 3.33Å; W244-F246 HydrophobicContact CZ3-CD2 4.35Å; W244-F246 AromaticContact CZ3-CE1 3.32Å; W244-F246 HydrophobicContact CZ3-CE1 3.32Å; W244-F246 HydrophobicContact CZ3-CE2 4.34Å; W244-F246 AromaticContact CZ3-CG 3.86Å; W244-F246 HydrophobicContact CZ3-CG 3.86Å; W244-F246 AromaticContact CZ3-CZ 3.83Å; W244-F246 HydrophobicContact CZ3-CZ 3.83Å
247	S	92.6	Very high	92.7	Very high	9 Å²	9	69.4 Å²	69.4	6%	0.063	34%	0.343	C	S	.	.			trans	-126.7	157.2	172	84.1	0	0	0	0	110.1	T245 E249 N250 V251	T245-S247 PolarHBondContact O-N 3.32Å; T245-S247 VanDerWaalsContact O-N 3.12Å; S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 3.45Å; S247-E249 PolarHBondContact OG-OE2 2.93Å; S247-N250 PolarHBondContact O-N 3Å; S247-N250 PolarHBondContact OG-N 3.33Å; S247-N250 PolarHBondContact OG-ND2 3.39Å; S247-V251 VanDerWaalsContact O-CG2 3.29Å; S247-V251 WeakPolarHBondContact O-CG2 3.49Å; S247-V251 PolarHBondContact O-N 3.4Å
248	E	93.5	Very high	92.9	Very high	59 Å²	59	63.5 Å²	63.5	28%	0.276	32%	0.321	S	S	.	.	H	α-helix	trans	-54.7	-45.3	179.5	-166.2	-168.2	154.5	0	0	110.6	I176 L180 K183 N250 V251 I252	I176-E248 HydrophobicContact CG2-CB 4.01Å; L180-E248 HydrophobicContact CD2-CG 3.57Å; L180-E248 HydrophobicContact CG-CG 4.06Å; K183-E248 IonicContact NZ-OE1 2.91Å; K183-E248 PolarHBondContact NZ-OE1 3.27Å; E248-N250 PolarHBondContact O-N 2.98Å; E248-V251 PolarHBondContact O-N 3.43Å; E248-I252 HydrophobicContact CG-CD1 3.75Å; E248-I252 HydrophobicContact CG-CG1 4.45Å; E248-I252 WeakPolarHBondContact O-CB 3.22Å; E248-I252 VanDerWaalsContact O-CG1 3.27Å; E248-I252 WeakPolarHBondContact O-CG1 3.3Å; E248-I252 PolarHBondContact O-N 3.36Å
249	E	94	Very high	93.2	Very high	125 Å²	125	62.2 Å²	62.2	58%	0.584	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-41.6	-176.6	-48.6	77.4	-169.1	0	0	111.7	S247 I252 R253	S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 3.45Å; S247-E249 PolarHBondContact OG-OE2 2.93Å; E249-I252 PolarHBondContact O-N 3.27Å; E249-R253 WeakPolarHBondContact O-CB 3.34Å; E249-R253 PolarHBondContact O-N 3.36Å
250	N	95.1	Very high	93.7	Very high	31 Å²	31	61.1 Å²	61.1	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-40.4	177.4	-74.6	-23.5	0	0	0	111	W244 T245 S247 E248 R253 E254	W244-N250 HydrophobicContact CZ2-CB 3.79Å; T245-N250 PolarHBondContact O-ND2 3.43Å; S247-N250 PolarHBondContact O-N 3Å; S247-N250 PolarHBondContact OG-N 3.33Å; S247-N250 PolarHBondContact OG-ND2 3.39Å; E248-N250 PolarHBondContact O-N 2.98Å; N250-R253 PolarHBondContact OD1-NH2 3Å; N250-E254 VanDerWaalsContact O-CB 3.22Å; N250-E254 WeakPolarHBondContact O-CB 3.23Å; N250-E254 WeakPolarHBondContact O-CG 3.25Å; N250-E254 PolarHBondContact O-N 2.94Å
251	V	96.3	Very high	93.9	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-48.3	176.4	-179.9	0	0	0	0	110	F173 L180 L220 W244 S247 E248 R253 F255 L257	F173-V251 HydrophobicContact CE2-CG2 3.98Å; F173-V251 HydrophobicContact CZ-CG2 4.05Å; L180-V251 HydrophobicContact CD1-CB 3.84Å; L180-V251 HydrophobicContact CD1-CG1 3.62Å; L180-V251 HydrophobicContact CD1-CG2 4.23Å; L220-V251 HydrophobicContact CD1-CG1 4.13Å; L220-V251 HydrophobicContact CD1-CG2 3.92Å; W244-V251 HydrophobicContact CH2-CG2 3.74Å; S247-V251 VanDerWaalsContact O-CG2 3.29Å; S247-V251 WeakPolarHBondContact O-CG2 3.49Å; S247-V251 PolarHBondContact O-N 3.4Å; E248-V251 PolarHBondContact O-N 3.43Å; V251-R253 PolarHBondContact O-N 2.9Å; V251-F255 HydrophobicContact CG1-CD2 4.02Å; V251-F255 WeakPolarHBondContact O-CB 3.05Å; V251-F255 WeakPolarHBondContact O-CD2 3.44Å; V251-F255 PolarHBondContact O-N 3.43Å; V251-L257 HydrophobicContact CG1-CD1 4.04Å
252	I	96.6	Very high	94	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-46.8	179.1	-69.9	167.9	0	0	0	111.4	L180 Y184 E248 E249 N256 L257	L180-I252 HydrophobicContact CD2-CD1 3.99Å; L180-I252 HydrophobicContact CD2-CG1 3.74Å; Y184-I252 HydrophobicContact CE2-CD1 4.06Å; Y184-I252 HydrophobicContact CE2-CG1 4Å; E248-I252 HydrophobicContact CG-CD1 3.75Å; E248-I252 HydrophobicContact CG-CG1 4.45Å; E248-I252 WeakPolarHBondContact O-CB 3.22Å; E248-I252 VanDerWaalsContact O-CG1 3.27Å; E248-I252 WeakPolarHBondContact O-CG1 3.3Å; E248-I252 PolarHBondContact O-N 3.36Å; E249-I252 PolarHBondContact O-N 3.27Å; I252-N256 WeakPolarHBondContact O-CA 3.44Å; I252-N256 PolarHBondContact O-N 3.44Å; I252-N256 VanDerWaalsContact O-N 3.11Å; I252-L257 HydrophobicContact CG1-CB 4.5Å; I252-L257 HydrophobicContact CG1-CD1 3.94Å; I252-L257 PolarHBondContact O-N 2.87Å
253	R	96.1	Very high	94	Very high	150 Å²	150	63.9 Å²	63.9	57%	0.566	31%	0.305	S	S	*	.	H	α-helix	trans	-71	-47.9	-176.6	-173.3	-176.1	69.5	-151.8	-8.4	112.3	E249 N250 V251 N256	E249-R253 WeakPolarHBondContact O-CB 3.34Å; E249-R253 PolarHBondContact O-N 3.36Å; N250-R253 PolarHBondContact OD1-NH2 3Å; V251-R253 PolarHBondContact O-N 2.9Å; R253-N256 PolarHBondContact O-N 3.29Å; R253-N256 PolarHBondContact O-OD1 2.92Å
254	E	95.9	Very high	94.1	Very high	52 Å²	52	60 Å²	60	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-39.2	-174.5	-65.9	-67.4	150.7	0	0	111.9	M230 R232 W244 N250 N256	M230-E254 HydrophobicContact CE-CB 4.46Å; M230-E254 VanDerWaalsContact CE-O 3.3Å; M230-E254 WeakPolarHBondContact CE-O 3.44Å; R232-E254 IonicContact CZ-OE2 2.85Å; R232-E254 IonicContact NE-OE2 2.65Å; R232-E254 IonicContact NH2-OE2 2.73Å; R232-E254 PolarHBondContact NH2-OE2 3.49Å; W244-E254 HydrophobicContact CZ2-CB 4.48Å; W244-E254 HydrophobicContact CZ2-CG 4.16Å; N250-E254 VanDerWaalsContact O-CB 3.22Å; N250-E254 WeakPolarHBondContact O-CB 3.23Å; N250-E254 WeakPolarHBondContact O-CG 3.25Å; N250-E254 PolarHBondContact O-N 2.94Å; E254-N256 VanDerWaalsContact C-N 3.32Å
255	F	95.9	Very high	94	Very high	3 Å²	3	62 Å²	62	1%	0.013	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.6	178.8	-69.1	-92.1	0	0	0	113.1	I159 L220 L222 M230 R232 W244 V251 L257 L260	I159-F255 HydrophobicContact CD1-CB 4.09Å; I159-F255 HydrophobicContact CD1-CD1 4.01Å; I159-F255 HydrophobicContact CD1-CG 4.18Å; I159-F255 HydrophobicContact CG1-CD1 4.41Å; L220-F255 HydrophobicContact CB-CE1 4.39Å; L220-F255 HydrophobicContact CB-CE2 4.07Å; L220-F255 HydrophobicContact CB-CZ 3.57Å; L220-F255 HydrophobicContact CD1-CE2 4.03Å; L220-F255 HydrophobicContact CD1-CZ 4.37Å; L222-F255 HydrophobicContact CB-CD1 3.86Å; L222-F255 HydrophobicContact CB-CE1 3.95Å; L222-F255 HydrophobicContact CD2-CD1 4.47Å; M230-F255 HydrophobicContact CE-CD1 3.76Å; M230-F255 HydrophobicContact CE-CD2 4.29Å; M230-F255 HydrophobicContact CE-CE1 3.82Å; M230-F255 HydrophobicContact CE-CE2 4.34Å; M230-F255 HydrophobicContact CE-CG 4.02Å; M230-F255 HydrophobicContact CE-CZ 4.12Å; M230-F255 HydrophobicContact CG-CD1 3.99Å; M230-F255 HydrophobicContact CG-CE1 3.91Å; M230-F255 HydrophobicContact SD-CD1 3.74Å; M230-F255 HydrophobicContact SD-CE1 4.14Å; M230-F255 HydrophobicContact SD-CG 4.29Å; R232-F255 HydrophobicContact CB-CE2 4.01Å; R232-F255 HydrophobicContact CB-CZ 3.97Å; R232-F255 HydrophobicContact CG-CE2 3.73Å; R232-F255 HydrophobicContact CG-CZ 3.84Å; W244-F255 HydrophobicContact CH2-CE2 4.25Å; V251-F255 HydrophobicContact CG1-CD2 4.02Å; V251-F255 WeakPolarHBondContact O-CB 3.05Å; V251-F255 WeakPolarHBondContact O-CD2 3.44Å; V251-F255 PolarHBondContact O-N 3.43Å; F255-L257 HydrophobicContact CB-CD2 3.94Å; F255-L257 HydrophobicContact CB-CG 4.22Å; F255-L257 PolarHBondContact O-N 2.94Å; F255-L260 WeakPolarHBondContact O-CD1 3.23Å
256	N	95.4	Very high	93.9	Very high	85 Å²	85	65.5 Å²	65.5	46%	0.455	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	44.3	-176.7	-67.4	-34.1	0	0	0	113.1	I252 R253 E254 N258 E259 L260	I252-N256 WeakPolarHBondContact O-CA 3.44Å; I252-N256 PolarHBondContact O-N 3.44Å; I252-N256 VanDerWaalsContact O-N 3.11Å; R253-N256 PolarHBondContact O-N 3.29Å; R253-N256 PolarHBondContact O-OD1 2.92Å; E254-N256 VanDerWaalsContact C-N 3.32Å; N256-N258 PolarHBondContact O-N 3.02Å; N256-N258 VanDerWaalsContact O-N 3.13Å; N256-E259 HydrophobicContact CB-CB 4.45Å; N256-E259 PolarHBondContact O-N 2.03Å; N256-L260 PolarHBondContact O-N 3.08Å
257	L	95.1	Very high	93.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-36.5	-171.9	-68.6	-172.7	0	0	0	113.1	I159 L180 Y184 V251 I252 F255 E259 L260 Y261	I159-L257 HydrophobicContact CD1-CD2 3.29Å; L180-L257 HydrophobicContact CD2-CD1 3.9Å; Y184-L257 HydrophobicContact CD1-CB 4.13Å; Y184-L257 HydrophobicContact CD2-CB 4.47Å; Y184-L257 HydrophobicContact CD2-CD1 4.07Å; Y184-L257 HydrophobicContact CE1-CB 3.99Å; Y184-L257 HydrophobicContact CE2-CB 4.35Å; Y184-L257 HydrophobicContact CE2-CD1 4.18Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; V251-L257 HydrophobicContact CG1-CD1 4.04Å; I252-L257 HydrophobicContact CG1-CB 4.5Å; I252-L257 HydrophobicContact CG1-CD1 3.94Å; I252-L257 PolarHBondContact O-N 2.87Å; F255-L257 HydrophobicContact CB-CD2 3.94Å; F255-L257 HydrophobicContact CB-CG 4.22Å; F255-L257 PolarHBondContact O-N 2.94Å; L257-E259 PolarHBondContact O-N 3.46Å; L257-L260 PolarHBondContact O-N 3.09Å; L257-Y261 WeakPolarHBondContact O-CB 3.46Å; L257-Y261 PolarHBondContact O-N 3.38Å
258	N	95.3	Very high	92.6	Very high	87 Å²	87	70 Å²	70	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-45	177.1	-69.8	-35.9	0	0	0	111.9	Y184 N256 Q262	Y184-N258 WeakPolarHBondContact CE1-OD1 3.42Å; Y184-N258 PolarHBondContact OH-OD1 2.82Å; N256-N258 PolarHBondContact O-N 3.02Å; N256-N258 VanDerWaalsContact O-N 3.13Å; N258-Q262 VanDerWaalsContact O-CG 3.24Å; N258-Q262 WeakPolarHBondContact O-CG 3.28Å; N258-Q262 PolarHBondContact O-N 3.41Å; N258-Q262 VanDerWaalsContact O-N 3.16Å
259	E	94.6	Very high	91.8	Very high	137 Å²	137	74.3 Å²	74.3	64%	0.64	34%	0.342	S	S	*	.	H	α-helix	trans	-71.3	-43.5	-179.9	-63.1	-171.6	166	0	0	111.5	N256 L257 Y261 Q262 R263	N256-E259 HydrophobicContact CB-CB 4.45Å; N256-E259 PolarHBondContact O-N 2.03Å; L257-E259 PolarHBondContact O-N 3.46Å; E259-Y261 VanDerWaalsContact C-N 3.3Å; E259-Y261 PolarHBondContact O-N 3.4Å; E259-Q262 PolarHBondContact O-N 3.4Å; E259-R263 WeakPolarHBondContact O-CB 3.19Å; E259-R263 PolarHBondContact O-N 3.06Å
260	L	94.3	Very high	90.7	Very high	21 Å²	21	71.2 Å²	71.2	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-45.2	177	-67.5	-177.6	0	0	0	111.3	T157 L189 L222 F255 N256 L257 R263 A264	T157-L260 HydrophobicContact CG2-CD1 4.42Å; L189-L260 HydrophobicContact CD2-CB 4.25Å; L222-L260 HydrophobicContact CD1-CD1 3.9Å; L222-L260 HydrophobicContact CD2-CD1 4.12Å; F255-L260 WeakPolarHBondContact O-CD1 3.23Å; N256-L260 PolarHBondContact O-N 3.08Å; L257-L260 PolarHBondContact O-N 3.09Å; L260-R263 PolarHBondContact O-N 3.13Å; L260-A264 VanDerWaalsContact O-CB 3.3Å; L260-A264 WeakPolarHBondContact O-CB 3.3Å; L260-A264 PolarHBondContact O-N 3.44Å
261	Y	94.3	Very high	89	Confident	41 Å²	41	71.9 Å²	71.9	16%	0.161	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-44.3	178.8	-177.6	-114	0	0	0	112.9	Y184 C186 L257 E259 R263 A264 K265	Y184-Y261 HydrophobicContact CD1-CD1 4.37Å; Y184-Y261 HydrophobicContact CD1-CD2 4.23Å; Y184-Y261 AromaticContact CD1-CG 3.9Å; Y184-Y261 HydrophobicContact CD1-CG 3.9Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.15Å; Y184-Y261 VanDerWaalsContact O-CE2 3.29Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.36Å; C186-Y261 HydrophobicContact CB-CD2 4.39Å; C186-Y261 HydrophobicContact CB-CE2 3.92Å; L257-Y261 WeakPolarHBondContact O-CB 3.46Å; L257-Y261 PolarHBondContact O-N 3.38Å; E259-Y261 VanDerWaalsContact C-N 3.3Å; E259-Y261 PolarHBondContact O-N 3.4Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 2.77Å; Y261-A264 PolarHBondContact O-N 2.65Å; Y261-K265 HydrophobicContact CD1-CD 4.4Å; Y261-K265 HydrophobicContact CE1-CD 3.9Å; Y261-K265 VanDerWaalsContact CE1-CE 3.49Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.29Å; Y261-K265 PolarHBondContact O-N 2.88Å; Y261-K265 WeakPolarHBondContact OH-CE 3.35Å; Y261-K265 PolarHBondContact OH-NZ 3.25Å
262	Q	93.9	Very high	87.1	Confident	108 Å²	108	78.1 Å²	78.1	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-38.7	177.4	-66.3	-64.1	-2.3	0	0	111.7	N258 E259 K266	N258-Q262 VanDerWaalsContact O-CG 3.24Å; N258-Q262 WeakPolarHBondContact O-CG 3.28Å; N258-Q262 PolarHBondContact O-N 3.41Å; N258-Q262 VanDerWaalsContact O-N 3.16Å; E259-Q262 PolarHBondContact O-N 3.4Å; Q262-K266 WeakPolarHBondContact O-CG 3.1Å; Q262-K266 PolarHBondContact O-N 2.9Å; Q262-K266 VanDerWaalsContact O-N 3.08Å
263	R	92.3	Very high	84.8	Confident	165 Å²	165	83.2 Å²	83.2	62%	0.623	41%	0.412	S	S	*	.	H	α-helix	trans	-64.2	-46.1	175.2	-172.5	178	-176.5	171.9	0.6	111.6	E259 L260 Y261 K265 K266 L267	E259-R263 WeakPolarHBondContact O-CB 3.19Å; E259-R263 PolarHBondContact O-N 3.06Å; L260-R263 PolarHBondContact O-N 3.13Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 2.77Å; R263-K265 PolarHBondContact O-N 3.46Å; R263-K266 PolarHBondContact O-N 3.29Å; R263-L267 HydrophobicContact CG-CD1 4.27Å; R263-L267 WeakPolarHBondContact O-CG 3.34Å; R263-L267 PolarHBondContact O-N 3.42Å
264	A	90.8	Very high	82.2	Confident	5 Å²	5	82.2 Å²	82.2	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-59.5	-45	177.2	0	0	0	0	0	112	C186 L189 L260 Y261 K266 L267 S268	C186-A264 VanDerWaalsContact SG-CB 3.58Å; L189-A264 HydrophobicContact CB-CB 4.06Å; L260-A264 VanDerWaalsContact O-CB 3.3Å; L260-A264 WeakPolarHBondContact O-CB 3.3Å; L260-A264 PolarHBondContact O-N 3.44Å; Y261-A264 PolarHBondContact O-N 2.65Å; A264-K266 PolarHBondContact O-N 3.48Å; A264-L267 PolarHBondContact O-N 3.22Å; A264-S268 PolarHBondContact O-N 2.9Å
265	K	89.7	Confident	79.4	Confident	83 Å²	83	85 Å²	85	36%	0.361	44%	0.439	S	S	.	.	H	α-helix	trans	-61.8	-40.7	175.2	-82.3	-171.8	168.8	175.5	0	113.5	Y261 R263 S268 K269	Y261-K265 HydrophobicContact CD1-CD 4.4Å; Y261-K265 HydrophobicContact CE1-CD 3.9Å; Y261-K265 VanDerWaalsContact CE1-CE 3.49Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.29Å; Y261-K265 PolarHBondContact O-N 2.88Å; Y261-K265 WeakPolarHBondContact OH-CE 3.35Å; Y261-K265 PolarHBondContact OH-NZ 3.25Å; R263-K265 PolarHBondContact O-N 3.46Å; K265-S268 PolarHBondContact O-N 3.25Å; K265-K269 WeakPolarHBondContact O-CG 3.43Å; K265-K269 PolarHBondContact O-N 2.99Å; K265-K269 VanDerWaalsContact O-N 3.1Å
266	K	88.6	Confident	76.3	Confident	152 Å²	152	94 Å²	94	66%	0.661	48%	0.481	S	S	*	.	H	α-helix	trans	-63.8	-43.1	177	-74.8	175	-178.7	-177.9	0	111.5	Q262 R263 A264 S268 K269 A270	Q262-K266 WeakPolarHBondContact O-CG 3.1Å; Q262-K266 PolarHBondContact O-N 2.9Å; Q262-K266 VanDerWaalsContact O-N 3.08Å; R263-K266 PolarHBondContact O-N 3.29Å; A264-K266 PolarHBondContact O-N 3.48Å; K266-S268 VanDerWaalsContact C-N 3.35Å; K266-K269 PolarHBondContact O-N 3.11Å; K266-A270 WeakPolarHBondContact O-CB 3.15Å; K266-A270 PolarHBondContact O-N 2.88Å
267	L	82.5	Confident	73.3	Confident	105 Å²	105	99 Å²	99	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-40.1	177.3	-71.6	168.3	0	0	0	111.9	R263 A264 A270 G271	R263-L267 HydrophobicContact CG-CD1 4.27Å; R263-L267 WeakPolarHBondContact O-CG 3.34Å; R263-L267 PolarHBondContact O-N 3.42Å; A264-L267 PolarHBondContact O-N 3.22Å; L267-A270 PolarHBondContact O-N 3.1Å; L267-G271 PolarHBondContact O-N 2.86Å
268	S	75.3	Confident	70.3	Confident	35 Å²	35	107 Å²	107	25%	0.245	54%	0.54	C	S	.	.	H	α-helix	trans	-60.1	-48.2	174.1	-164.5	0	0	0	0	111.8	T187 A264 K265 K266 A270 G271 D272	T187-S268 WeakPolarHBondContact OG1-CB 3.45Å; T187-S268 PolarHBondContact OG1-OG 3.32Å; A264-S268 PolarHBondContact O-N 2.9Å; K265-S268 PolarHBondContact O-N 3.25Å; K266-S268 VanDerWaalsContact C-N 3.35Å; S268-A270 VanDerWaalsContact C-N 3.28Å; S268-A270 PolarHBondContact O-N 2.88Å; S268-G271 PolarHBondContact O-N 2.91Å; S268-D272 PolarHBondContact O-N 3.05Å
269	K	75.7	Confident	67.4	Low	150 Å²	150	109.1 Å²	109.1	65%	0.652	56%	0.558	S	S	*	*	H	α-helix	trans	-65.9	-28.8	179.1	-71.3	-175.9	178.2	-170.7	0	113.5	K265 K266 N273	K265-K269 WeakPolarHBondContact O-CG 3.43Å; K265-K269 PolarHBondContact O-N 2.99Å; K265-K269 VanDerWaalsContact O-N 3.1Å; K266-K269 PolarHBondContact O-N 3.11Å; K269-N273 PolarHBondContact O-ND2 2.73Å
270	A	71.1	Confident	64.5	Low	59 Å²	59	109.2 Å²	109.2	49%	0.488	57%	0.567	S	S	.	*	H	α-helix	trans	-75.9	-34.2	176.1	0	0	0	0	0	111.8	K266 L267 S268 N273	K266-A270 WeakPolarHBondContact O-CB 3.15Å; K266-A270 PolarHBondContact O-N 2.88Å; L267-A270 PolarHBondContact O-N 3.1Å; S268-A270 VanDerWaalsContact C-N 3.28Å; S268-A270 PolarHBondContact O-N 2.88Å; A270-N273 PolarHBondContact O-N 3.15Å
271	G	59.6	Low	61.7	Low	45 Å²	45	111.9 Å²	111.9	46%	0.464	59%	0.593	S	S	.	*	H	α-helix	trans	-68.2	-35	175.7	0	0	0	0	0	113.8	L267 S268 N273	L267-G271 PolarHBondContact O-N 2.86Å; S268-G271 PolarHBondContact O-N 2.91Å; G271-N273 PolarHBondContact O-N 3.19Å
272	D	56	Low	58.9	Low	132 Å²	132	116 Å²	116	71%	0.706	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-11.2	177.6	-65.8	-27.5	0	0	0	113.7	S268	S268-D272 PolarHBondContact O-N 3.05Å
273	N	47.3	Very low	55.8	Low	132 Å²	132	117 Å²	117	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	13.6	-176.8	-78.9	-48.4	0	0	0	114	K269 A270 G271 P275	K269-N273 PolarHBondContact O-ND2 2.73Å; A270-N273 PolarHBondContact O-N 3.15Å; G271-N273 PolarHBondContact O-N 3.19Å; N273-P275 WeakPolarHBondContact O-CD 3.18Å
274	I	42.8	Very low	53	Low	130 Å²	130	114.9 Å²	114.9	67%	0.667	65%	0.646	S	S	*	*	S	Bend	trans	-92.9	114	174.1	-55.5	174.3	0	0	0	107.5	E276	I274-E276 PolarHBondContact O-N 2.85Å
275	P	35.9	Very low	50.1	Low	110 Å²	110	121.2 Å²	121.2	71%	0.714	68%	0.684	S	S	*	*			trans	-60.5	132.4	171.3	-14.3	27.9	0	0	0	108.7	N273 E277	N273-P275 WeakPolarHBondContact O-CD 3.18Å; P275-E277 PolarHBondContact O-N 3.19Å
276	E	32.1	Very low	47.3	Very low	191 Å²	191	128.9 Å²	128.9	89%	0.893	71%	0.711	S	S	*	*			trans	-49.8	105.8	168.9	-90.2	179.8	138.6	0	0	109.5	I274 Q278	I274-E276 PolarHBondContact O-N 2.85Å; E276-Q278 PolarHBondContact O-N 3.17Å
277	E	32.5	Very low	44.5	Very low	192 Å²	192	127.3 Å²	127.3	90%	0.897	71%	0.713	S	S	*	*			trans	-73.1	112.8	167.2	-157.7	168.5	-159.9	0	0	106.9	P275	P275-E277 PolarHBondContact O-N 3.19Å
278	Q	31.9	Very low	42.1	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-55.7	145.2	-177.7	-66.4	179.4	-7.3	0	0	111.1	E276 V280	E276-Q278 PolarHBondContact O-N 3.17Å; Q278-V280 PolarHBondContact O-N 2.9Å; Q278-V280 VanDerWaalsContact O-N 3.15Å
279	P	33.8	Very low	40	Very low	131 Å²	131	133.2 Å²	133.2	85%	0.851	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-66.8	118.4	179.2	-11.1	25.5	0	0	0	110.2	A281	P279-A281 PolarHBondContact O-N 2.88Å
280	V	35.3	Very low	37.8	Very low	138 Å²	138	130 Å²	130	84%	0.836	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-62.1	121.8	171.6	177.6	0	0	0	0	109.2	Q278	Q278-V280 PolarHBondContact O-N 2.9Å; Q278-V280 VanDerWaalsContact O-N 3.15Å
281	A	34.8	Very low	36	Very low	78 Å²	78	136.5 Å²	136.5	65%	0.645	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.6	142	174.3	0	0	0	0	0	111.3	P279 T283	P279-A281 PolarHBondContact O-N 2.88Å; A281-T283 PolarHBondContact O-N 3.11Å
282	P	34.4	Very low	34.7	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.8	123.6	-179.9	27.8	-31	0	0	0	111.9
283	T	30.2	Very low	33.7	Very low	128 Å²	128	143.8 Å²	143.8	79%	0.785	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.1	137.1	168.8	-33.7	0	0	0	0	110.4	A281 T285	A281-T283 PolarHBondContact O-N 3.11Å; T283-T285 PolarHBondContact O-N 3.34Å
284	P	33	Very low	33.1	Very low	122 Å²	122	145.9 Å²	145.9	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.1	124.9	-177.5	30.1	-31.8	0	0	0	111.9
285	T	30.3	Very low	32.8	Very low	137 Å²	137	145.6 Å²	145.6	84%	0.84	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.6	171.7	-7.8	0	0	0	0	110.3	T283 V287	T283-T285 PolarHBondContact O-N 3.34Å; T285-V287 PolarHBondContact O-N 2.75Å
286	R	29.2	Very low	32.6	Very low	244 Å²	244	153.7 Å²	153.7	92%	0.921	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-68.2	122.3	167	-100.1	177.5	169.6	172.5	-3.3	109.5
287	V	31.4	Very low	32.6	Very low	119 Å²	119	151.8 Å²	151.8	72%	0.721	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.9	127.7	166.7	179.2	0	0	0	0	108.2	T285	T285-V287 PolarHBondContact O-N 2.75Å
288	S	30.5	Very low	32.6	Very low	115 Å²	115	149.7 Å²	149.7	80%	0.804	83%	0.829	S	S	*	*			trans	-114.4	96.9	165.6	59.1	0	0	0	0	108
289	D	32	Very low	32.7	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	83%	0.832	S	S	*	*			trans	-90	120	169	-80.5	-34.5	0	0	0	109.2
290	G	29.9	Very low	32.6	Very low	83 Å²	83	149.7 Å²	149.7	86%	0.856	83%	0.83	S	S	*	*			trans	-90	114.7	167.2	0	0	0	0	0	109.4
291	E	32.4	Very low	32.4	Very low	195 Å²	195	150.4 Å²	150.4	91%	0.911	83%	0.83	S	S	*	*			trans	-106.3	112.5	173.8	-149.6	175.5	156	0	0	109.3
292	S	33	Very low	32.3	Very low	114 Å²	114	155.3 Å²	155.3	80%	0.797	84%	0.842	S	S	*	*			trans	-105.9	121.9	163.2	-84.7	0	0	0	0	108.1
293	K	34.4	Very low	32.1	Very low	216 Å²	216	157.3 Å²	157.3	94%	0.939	84%	0.844	S	S	*	*			trans	-166.3	134.4	140	-109	164.4	-174.5	179.6	0	111.7
294	K	34.6	Very low	32.3	Very low	176 Å²	176	159.5 Å²	159.5	77%	0.765	85%	0.848	S	S	*	*			trans	-107.5	146.8	-179.6	-147.7	-164.8	167	-155.4	0	108.8
295	D	37.1	Very low	32.2	Very low	124 Å²	124	162.7 Å²	162.7	66%	0.663	85%	0.853	S	S	*	*			trans	62.8	104.1	154.4	-57	-28.9	0	0	0	118.9
296	K	31.9	Very low	32.4	Very low	279 Å²	279	165 Å²	165	100%	1.213	85%	0.854	S	S	*	*				-175.9	0	100.2	-131.4	177	-176.5	178.9	0	112

Retrieved 296 of 296 residues in 291.9 ms (Link to these results)

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