A0A096NQ62_PAPAN Loading...

Hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 1

AlphaFold DB , UniProt , Accession A0A096NQ62, Species PAPAN (Papio anubis, Olive baboon), Gene HSD3B1, Length 373 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	44.4	Very low	88.8	Confident	233 Å²	233	41.4 Å²	41.4	100%	1.148	24%	0.237	S	C	*	.				0	106.6	0	-74.8	-173.2	-87.9	0	0	107.7	G3	M1-G3 PolarHBondContact O-N 3.48Å
2	T	65.9	Low	89.4	Confident	139 Å²	139	40 Å²	40	85%	0.853	24%	0.239	S	C	*	.			trans	-75	111.1	179.9	44.1	0	0	0	0	108.8
3	G	83.5	Confident	89.9	Confident	34 Å²	34	38.8 Å²	38.8	35%	0.351	24%	0.241	S	C	.	.			trans	-160.8	153.9	176.4	0	0	0	0	0	109.9	M1 E28	M1-G3 PolarHBondContact O-N 3.48Å; G3-E28 CarbonylContact C-O 3.6Å; G3-E28 WeakPolarHBondContact CA-O 3.46Å
4	W	94.7	Very high	90.3	Very high	32 Å²	32	38.5 Å²	38.5	12%	0.121	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	163.3	-173	58.9	-82.7	0	0	0	111.5	C6 L23 E26 K27 E28 L29 K30 L77 V78 L237	W4-C6 HydrophobicContact CE3-CB 4.45Å; W4-C6 HydrophobicContact CZ3-CB 3.76Å; W4-L23 HydrophobicContact CH2-CD2 4.4Å; W4-E26 HydrophobicContact CZ2-CB 4.12Å; W4-E26 HydrophobicContact CZ2-CG 4.49Å; W4-K27 PolarHBondContact NE1-O 3.46Å; W4-E28 PolarHBondContact N-O 3.07Å; W4-L29 HydrophobicContact CD2-CD1 3.72Å; W4-L29 HydrophobicContact CE3-CD1 3.53Å; W4-L29 HydrophobicContact CH2-CB 4.49Å; W4-L29 HydrophobicContact CH2-CD1 3.62Å; W4-L29 HydrophobicContact CH2-CD2 4.28Å; W4-L29 HydrophobicContact CH2-CG 4.34Å; W4-L29 HydrophobicContact CZ2-CB 3.97Å; W4-L29 HydrophobicContact CZ2-CD1 3.82Å; W4-L29 HydrophobicContact CZ2-CD2 4.49Å; W4-L29 HydrophobicContact CZ2-CG 4.3Å; W4-L29 HydrophobicContact CZ3-CD1 3.5Å; W4-L29 VanDerWaalsContact CZ3-CD1 3.5Å; W4-L29 VanDerWaalsContact O-CD1 3.3Å; W4-L29 WeakPolarHBondContact O-CD1 3.49Å; W4-K30 PolarHBondContact O-N 3.19Å; W4-L77 HydrophobicContact CB-CB 3.99Å; W4-L77 HydrophobicContact CB-CD2 3.53Å; W4-L77 HydrophobicContact CB-CG 4.4Å; W4-L77 HydrophobicContact CD2-CD2 4.23Å; W4-L77 HydrophobicContact CE3-CB 4.37Å; W4-L77 HydrophobicContact CE3-CD2 4.35Å; W4-L77 HydrophobicContact CG-CD2 3.89Å; W4-V78 HydrophobicContact CE3-CG2 4.23Å; W4-V78 HydrophobicContact CZ3-CB 4.36Å; W4-V78 HydrophobicContact CZ3-CG2 4.02Å; W4-L237 HydrophobicContact CH2-CD1 3.64Å; W4-L237 HydrophobicContact CH2-CD2 3.75Å; W4-L237 HydrophobicContact CH2-CG 4.29Å; W4-L237 HydrophobicContact CZ2-CD2 4.15Å; W4-L237 HydrophobicContact CZ3-CD1 3.86Å; W4-L237 HydrophobicContact CZ3-CD2 4.46Å
5	S	97.6	Very high	90.9	Very high	11 Å²	11	36.9 Å²	36.9	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.1	179	-45.1	0	0	0	0	110.8	E31 D75 L77 V78	S5-E31 CarbonylContact C-O 3.45Å; S5-E31 VanDerWaalsContact CA-O 3.26Å; S5-E31 WeakPolarHBondContact CA-O 3.44Å; S5-D75 WeakPolarHBondContact CB-O 3.43Å; S5-D75 PolarHBondContact OG-O 2.97Å; S5-L77 PolarHBondContact O-N 2.81Å; S5-V78 PolarHBondContact O-N 3.39Å
6	C	98.4	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.7	175.6	-169.2	0	0	0	0	110.4	W4 L23 L29 E31 I32 R33 V78	W4-C6 HydrophobicContact CE3-CB 4.45Å; W4-C6 HydrophobicContact CZ3-CB 3.76Å; C6-L23 HydrophobicContact CB-CD1 4.42Å; C6-L29 HydrophobicContact CB-CD1 4.1Å; C6-E31 PolarHBondContact N-O 2.88Å; C6-I32 CarbonylContact O-C 3.5Å; C6-I32 WeakPolarHBondContact O-CA 3.48Å; C6-R33 PolarHBondContact O-N 3.17Å; C6-V78 CarbonylContact C-O 3.54Å; C6-V78 WeakPolarHBondContact CA-O 3.32Å
7	L	98.8	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.5	166.7	172.9	65.2	0	0	0	109.2	T9 R33 L35 L59 A72 V76 V78 V79 I80 L108	L7-T9 HydrophobicContact CD2-CG2 4.37Å; L7-T9 HydrophobicContact CG-CG2 4.26Å; L7-R33 WeakPolarHBondContact CA-O 3.45Å; L7-R33 HydrophobicContact CB-CB 4.47Å; L7-R33 HydrophobicContact CD1-CB 3.71Å; L7-L35 HydrophobicContact CD1-CB 3.84Å; L7-L35 HydrophobicContact CD1-CD1 4.28Å; L7-L59 HydrophobicContact CD1-CD1 4.31Å; L7-A72 HydrophobicContact CD1-CB 4.38Å; L7-A72 HydrophobicContact CD2-CB 4Å; L7-V76 HydrophobicContact CB-CG1 3.92Å; L7-V76 HydrophobicContact CB-CG2 4.22Å; L7-V78 PolarHBondContact N-O 2.88Å; L7-V79 HydrophobicContact CB-CG2 4.03Å; L7-V79 HydrophobicContact CD2-CG2 4.11Å; L7-V79 HydrophobicContact CG-CG2 4.45Å; L7-V79 CarbonylContact O-C 3.58Å; L7-V79 WeakPolarHBondContact O-CA 3.49Å; L7-I80 PolarHBondContact O-N 2.9Å; L7-L108 HydrophobicContact CD2-CD1 4.41Å
8	V	98.8	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.2	172.5	-173.8	0	0	0	0	108.2	A11 I19 V20 L23 I32 R33 L35 I80	V8-A11 HydrophobicContact CB-CB 4.2Å; V8-A11 HydrophobicContact CG1-CB 4.05Å; V8-A11 WeakPolarHBondContact O-CB 3.38Å; V8-I19 HydrophobicContact CG1-CG2 4.49Å; V8-I19 HydrophobicContact CG2-CG2 4.4Å; V8-V20 HydrophobicContact CB-CG2 4.25Å; V8-V20 HydrophobicContact CG1-CG2 4.29Å; V8-V20 HydrophobicContact CG2-CG2 4.23Å; V8-L23 HydrophobicContact CG2-CD1 3.48Å; V8-L23 VanDerWaalsContact CG2-CD1 3.48Å; V8-I32 HydrophobicContact CG2-CG2 4.2Å; V8-R33 PolarHBondContact N-O 2.79Å; V8-L35 PolarHBondContact O-N 3.38Å; V8-I80 WeakPolarHBondContact CA-O 3.17Å; V8-I80 HydrophobicContact CG2-CB 4.42Å
9	T	98.8	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.8	172.3	65.2	0	0	0	0	110.3	L7 L35 I80 H81 T82 A83 L108	L7-T9 HydrophobicContact CD2-CG2 4.37Å; L7-T9 HydrophobicContact CG-CG2 4.26Å; T9-L35 CarbonylContact C-O 3.56Å; T9-L35 WeakPolarHBondContact CA-O 3.21Å; T9-L35 HydrophobicContact CG2-CB 4.22Å; T9-L35 HydrophobicContact CG2-CD1 4.27Å; T9-L35 HydrophobicContact CG2-CD2 4.11Å; T9-L35 HydrophobicContact CG2-CG 4.44Å; T9-I80 PolarHBondContact N-O 3.37Å; T9-H81 WeakPolarHBondContact OG1-CA 3.16Å; T9-H81 PolarHBondContact OG1-ND1 3.35Å; T9-T82 CarbonylContact O-C 3.57Å; T9-T82 WeakPolarHBondContact O-CA 3.13Å; T9-T82 WeakPolarHBondContact O-CB 3.49Å; T9-T82 PolarHBondContact O-N 3.47Å; T9-T82 PolarHBondContact O-OG1 3.46Å; T9-A83 PolarHBondContact O-N 2.97Å; T9-L108 HydrophobicContact CG2-CD1 4.36Å; T9-L108 HydrophobicContact CG2-CD2 3.85Å
10	G	97.9	Very high	92.6	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	22.2	-169.7	0	0	0	0	0	111.6	G12 G13 G16 L35 D36 T82	G10-G12 PolarHBondContact O-N 2.92Å; G10-G13 PolarHBondContact O-N 3Å; G10-G16 WeakPolarHBondContact O-CA 3.33Å; G10-L35 PolarHBondContact N-O 2.79Å; G10-D36 VanDerWaalsContact CA-OD2 3.26Å; G10-D36 WeakPolarHBondContact CA-OD2 3.28Å; G10-T82 WeakPolarHBondContact CA-OG1 3.47Å; G10-T82 PolarHBondContact O-OG1 2.91Å
11	A	97.8	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.8	-174.3	0	0	0	0	0	113.2	V8 G13 Q17 V20 V34 L35 D36 F39	V8-A11 HydrophobicContact CB-CB 4.2Å; V8-A11 HydrophobicContact CG1-CB 4.05Å; V8-A11 WeakPolarHBondContact O-CB 3.38Å; A11-G13 VanDerWaalsContact C-N 3.29Å; A11-Q17 PolarHBondContact O-N 3.34Å; A11-V20 HydrophobicContact CB-CG2 4.17Å; A11-V34 HydrophobicContact CB-CB 3.55Å; A11-V34 HydrophobicContact CB-CG1 3.97Å; A11-L35 PolarHBondContact N-O 2.89Å; A11-D36 PolarHBondContact N-OD2 3.23Å; A11-F39 HydrophobicContact CB-CE1 4.38Å
12	G	96.3	Very high	95.2	Very high	25 Å²	25	23.4 Å²	23.4	26%	0.258	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.6	171.4	0	0	0	0	0	113.7	G10 D36	G10-G12 PolarHBondContact O-N 2.92Å; G12-D36 WeakPolarHBondContact CA-OD2 3.25Å; G12-D36 PolarHBondContact N-OD2 3.46Å
13	G	95.6	Very high	96.7	Very high	25 Å²	25	16.8 Å²	16.8	26%	0.258	10%	0.099	S	C	.	.	S	Bend	trans	-82.2	172.2	-179.4	0	0	0	0	0	114.5	G10 A11 L15 G16 Q17 D36	G10-G13 PolarHBondContact O-N 3Å; A11-G13 VanDerWaalsContact C-N 3.29Å; G13-L15 PolarHBondContact O-N 2.81Å; G13-G16 PolarHBondContact O-N 2.87Å; G13-Q17 WeakPolarHBondContact O-CG 3.45Å; G13-Q17 PolarHBondContact O-N 2.95Å; G13-Q17 VanDerWaalsContact O-N 3.12Å; G13-D36 PolarHBondContact N-OD2 3.15Å
14	F	96.4	Very high	97.2	Very high	34 Å²	34	15.6 Å²	15.6	15%	0.149	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-48.3	-176.3	172.3	-131.6	0	0	0	113.9	Q17 I190 E193 G194 S195 V226	F14-Q17 WeakPolarHBondContact O-CG 3.27Å; F14-I190 HydrophobicContact CD1-CG2 4.38Å; F14-I190 HydrophobicContact CE1-CB 4.08Å; F14-I190 HydrophobicContact CE1-CG2 3.58Å; F14-I190 HydrophobicContact CZ-CG2 4.24Å; F14-E193 WeakPolarHBondContact CE2-O 3.38Å; F14-G194 WeakPolarHBondContact CD2-O 3.44Å; F14-S195 VanDerWaalsContact CE2-N 3.29Å; F14-V226 HydrophobicContact CD1-CG2 4.22Å; F14-V226 HydrophobicContact CD2-CG2 4.24Å; F14-V226 HydrophobicContact CE1-CB 3.96Å; F14-V226 HydrophobicContact CE1-CG2 3.86Å; F14-V226 HydrophobicContact CE2-CB 3.92Å; F14-V226 HydrophobicContact CE2-CG1 3.83Å; F14-V226 HydrophobicContact CE2-CG2 3.85Å; F14-V226 HydrophobicContact CG-CG2 4.4Å; F14-V226 HydrophobicContact CZ-CB 3.46Å; F14-V226 VanDerWaalsContact CZ-CB 3.46Å; F14-V226 HydrophobicContact CZ-CG1 3.76Å; F14-V226 HydrophobicContact CZ-CG2 3.66Å
15	L	98.3	Very high	97.1	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.079	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-43.4	178.2	176.5	61.8	0	0	0	112.1	G13 Q17 R18 I19 T82 T123 I190 V226 V229 A230	G13-L15 PolarHBondContact O-N 2.81Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.23Å; L15-R18 WeakPolarHBondContact O-CB 3.44Å; L15-R18 PolarHBondContact O-N 2.84Å; L15-I19 HydrophobicContact CD1-CD1 4.17Å; L15-I19 HydrophobicContact CD1-CG1 4.25Å; L15-I19 HydrophobicContact CD2-CD1 4.27Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.34Å; L15-I19 PolarHBondContact O-N 3.1Å; L15-T82 HydrophobicContact CD2-CG2 4.46Å; L15-T123 HydrophobicContact CD2-CG2 3.6Å; L15-I190 HydrophobicContact CD2-CD1 4.28Å; L15-V226 HydrophobicContact CB-CG2 4.49Å; L15-V226 HydrophobicContact CD1-CG2 4.01Å; L15-V229 HydrophobicContact CD1-CB 3.88Å; L15-V229 HydrophobicContact CD1-CG1 3.67Å; L15-V229 HydrophobicContact CD2-CG1 3.86Å; L15-V229 HydrophobicContact CG-CG1 4.44Å; L15-A230 HydrophobicContact CD1-CB 4.19Å
16	G	97.9	Very high	97	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-44.9	-175.9	0	0	0	0	0	113	G10 G13 R18 I19 V20	G10-G16 WeakPolarHBondContact O-CA 3.33Å; G13-G16 PolarHBondContact O-N 2.87Å; G16-R18 PolarHBondContact O-N 2.81Å; G16-I19 PolarHBondContact O-N 3.2Å; G16-V20 WeakPolarHBondContact O-CG2 3.37Å; G16-V20 PolarHBondContact O-N 3.14Å
17	Q	96.6	Very high	96.5	Very high	28 Å²	28	29.9 Å²	29.9	13%	0.131	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-31.2	176.8	70.5	-176.3	5.6	0	0	112.9	A11 G13 F14 L15 R21 L43 F47	A11-Q17 PolarHBondContact O-N 3.34Å; G13-Q17 WeakPolarHBondContact O-CG 3.45Å; G13-Q17 PolarHBondContact O-N 2.95Å; G13-Q17 VanDerWaalsContact O-N 3.12Å; F14-Q17 WeakPolarHBondContact O-CG 3.27Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.23Å; Q17-R21 VanDerWaalsContact O-CG 3.29Å; Q17-R21 WeakPolarHBondContact O-CG 3.22Å; Q17-R21 PolarHBondContact O-N 3.05Å; Q17-R21 VanDerWaalsContact O-N 3.15Å; Q17-L43 HydrophobicContact CB-CD1 4.35Å; Q17-F47 HydrophobicContact CB-CE1 4.49Å; Q17-F47 HydrophobicContact CB-CZ 4.4Å
18	R	97.7	Very high	96.1	Very high	27 Å²	27	37 Å²	37	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-74.6	-38.1	177.4	-69.7	-67.5	-169.2	-79.9	-3.3	111.4	L15 G16 R21 L22 E193 V226 A230	L15-R18 WeakPolarHBondContact O-CB 3.44Å; L15-R18 PolarHBondContact O-N 2.84Å; G16-R18 PolarHBondContact O-N 2.81Å; R18-R21 PolarHBondContact O-N 3.17Å; R18-L22 PolarHBondContact O-N 2.9Å; R18-E193 IonicContact CZ-OE2 3.01Å; R18-E193 IonicContact NE-OE2 3.52Å; R18-E193 PolarHBondContact NH2-O 3.43Å; R18-E193 IonicContact NH2-OE2 3.12Å; R18-E193 PolarHBondContact NH2-OE2 3.04Å; R18-V226 HydrophobicContact CB-CG2 4.23Å; R18-V226 HydrophobicContact CG-CG1 4.01Å; R18-V226 HydrophobicContact CG-CG2 3.79Å; R18-A230 HydrophobicContact CB-CB 3.78Å
19	I	98.6	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-47.2	172.4	-67.4	166.8	0	0	0	110.1	V8 L15 G16 R21 L22 L23 I80 T82 A230 H233	V8-I19 HydrophobicContact CG1-CG2 4.49Å; V8-I19 HydrophobicContact CG2-CG2 4.4Å; L15-I19 HydrophobicContact CD1-CD1 4.17Å; L15-I19 HydrophobicContact CD1-CG1 4.25Å; L15-I19 HydrophobicContact CD2-CD1 4.27Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.34Å; L15-I19 PolarHBondContact O-N 3.1Å; G16-I19 PolarHBondContact O-N 3.2Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.38Å; I19-L22 PolarHBondContact O-N 2.98Å; I19-L22 VanDerWaalsContact O-N 3.11Å; I19-L23 HydrophobicContact CG2-CD1 3.81Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.21Å; I19-I80 HydrophobicContact CD1-CG2 4.07Å; I19-I80 HydrophobicContact CG2-CD1 3.84Å; I19-I80 HydrophobicContact CG2-CG2 4.38Å; I19-T82 HydrophobicContact CD1-CG2 3.59Å; I19-A230 HydrophobicContact CG1-CB 3.77Å; I19-H233 HydrophobicContact CD1-CB 4.1Å; I19-H233 HydrophobicContact CG1-CB 4.22Å
20	V	97.7	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-44.1	177.9	172.8	0	0	0	0	111.5	V8 A11 G16 L22 L23 V24 I32 V34 F47 L56	V8-V20 HydrophobicContact CB-CG2 4.25Å; V8-V20 HydrophobicContact CG1-CG2 4.29Å; V8-V20 HydrophobicContact CG2-CG2 4.23Å; A11-V20 HydrophobicContact CB-CG2 4.17Å; G16-V20 WeakPolarHBondContact O-CG2 3.37Å; G16-V20 PolarHBondContact O-N 3.14Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 3.2Å; V20-L23 PolarHBondContact O-N 3.27Å; V20-V24 PolarHBondContact O-N 3.37Å; V20-I32 HydrophobicContact CG1-CG2 4.49Å; V20-I32 HydrophobicContact CG2-CG2 4.4Å; V20-V34 HydrophobicContact CB-CG1 4.47Å; V20-V34 HydrophobicContact CG1-CG1 4Å; V20-V34 HydrophobicContact CG2-CG1 3.56Å; V20-F47 HydrophobicContact CB-CE1 4.35Å; V20-F47 HydrophobicContact CB-CZ 4.47Å; V20-F47 HydrophobicContact CG1-CD1 4.37Å; V20-F47 HydrophobicContact CG1-CE1 3.94Å; V20-F47 HydrophobicContact CG1-CZ 4.28Å; V20-F47 HydrophobicContact CG2-CZ 4.49Å; V20-L56 HydrophobicContact CG1-CD2 3.48Å; V20-L56 VanDerWaalsContact CG1-CD2 3.48Å
21	R	95.8	Very high	95.7	Very high	84 Å²	84	44 Å²	44	32%	0.317	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-26.6	177.6	-73.1	173.6	-171.9	-176	2.2	114.2	Q17 R18 I19 V24 E46 L50	Q17-R21 VanDerWaalsContact O-CG 3.29Å; Q17-R21 WeakPolarHBondContact O-CG 3.22Å; Q17-R21 PolarHBondContact O-N 3.05Å; Q17-R21 VanDerWaalsContact O-N 3.15Å; R18-R21 PolarHBondContact O-N 3.17Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.38Å; R21-V24 WeakPolarHBondContact O-CG2 3.43Å; R21-E46 IonicContact CZ-OE2 3.25Å; R21-E46 IonicContact NH2-OE2 2.89Å; R21-E46 PolarHBondContact NH2-OE2 3.35Å; R21-L50 HydrophobicContact CG-CD1 3.91Å
22	L	96.7	Very high	95.7	Very high	31 Å²	31	44 Å²	44	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-85.5	-35.2	172.8	-65.6	179.6	0	0	0	111.6	R18 I19 V20 V24 E25 A230 W231 I234 L343	R18-L22 PolarHBondContact O-N 2.9Å; I19-L22 PolarHBondContact O-N 2.98Å; I19-L22 VanDerWaalsContact O-N 3.11Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 3.2Å; L22-V24 VanDerWaalsContact C-N 3.3Å; L22-V24 PolarHBondContact O-N 2.89Å; L22-E25 PolarHBondContact O-N 3.48Å; L22-A230 HydrophobicContact CD1-CB 3.73Å; L22-W231 HydrophobicContact CD1-CB 4.16Å; L22-W231 HydrophobicContact CD1-CE3 4.45Å; L22-I234 HydrophobicContact CB-CD1 3.98Å; L22-I234 HydrophobicContact CB-CG1 3.81Å; L22-I234 HydrophobicContact CD1-CG1 4.22Å; L22-L343 HydrophobicContact CD2-CD2 4.26Å
23	L	96.8	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-35.7	178.9	-80.9	172.8	0	0	0	112.7	W4 C6 V8 I19 V20 E25 E26 L29 I32 I80 I234 L237	W4-L23 HydrophobicContact CH2-CD2 4.4Å; C6-L23 HydrophobicContact CB-CD1 4.42Å; V8-L23 HydrophobicContact CG2-CD1 3.48Å; V8-L23 VanDerWaalsContact CG2-CD1 3.48Å; I19-L23 HydrophobicContact CG2-CD1 3.81Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.21Å; V20-L23 PolarHBondContact O-N 3.27Å; L23-E25 PolarHBondContact O-N 3.37Å; L23-E26 HydrophobicContact CD2-CG 4.16Å; L23-E26 VanDerWaalsContact O-CB 3.32Å; L23-E26 WeakPolarHBondContact O-CB 3.37Å; L23-E26 PolarHBondContact O-N 3.24Å; L23-L29 HydrophobicContact CB-CD2 4.03Å; L23-L29 HydrophobicContact CD2-CD2 4.38Å; L23-L29 WeakPolarHBondContact O-CD2 3.23Å; L23-I32 HydrophobicContact CB-CD1 3.59Å; L23-I32 HydrophobicContact CB-CG1 4.24Å; L23-I32 HydrophobicContact CD1-CG2 4.45Å; L23-I80 HydrophobicContact CD1-CD1 4.19Å; L23-I80 HydrophobicContact CD2-CD1 4.45Å; L23-I234 HydrophobicContact CD2-CD1 3.58Å; L23-I234 HydrophobicContact CG-CD1 3.69Å; L23-L237 HydrophobicContact CD2-CD1 4.04Å
24	V	94.8	Very high	95.9	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.048	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	179.4	-67.2	0	0	0	0	113.5	V20 R21 L22 I32 L50 L56	V20-V24 PolarHBondContact O-N 3.37Å; R21-V24 WeakPolarHBondContact O-CG2 3.43Å; L22-V24 VanDerWaalsContact C-N 3.3Å; L22-V24 PolarHBondContact O-N 2.89Å; V24-I32 HydrophobicContact CB-CD1 4.44Å; V24-I32 HydrophobicContact CG1-CD1 3.58Å; V24-L50 HydrophobicContact CG1-CB 4.46Å; V24-L56 HydrophobicContact CG1-CD1 3.93Å; V24-L56 HydrophobicContact CG1-CD2 4.47Å
25	E	92.7	Very high	96	Very high	138 Å²	138	41.6 Å²	41.6	65%	0.645	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.1	176.4	-56.6	-57.7	142.5	0	0	113.2	L22 L23	L22-E25 PolarHBondContact O-N 3.48Å; L23-E25 PolarHBondContact O-N 3.37Å
26	E	93.8	Very high	96	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-68.7	139.3	177.6	-70.1	-56.6	111.9	0	0	111.6	W4 L23 L29 I234 R238	W4-E26 HydrophobicContact CZ2-CB 4.12Å; W4-E26 HydrophobicContact CZ2-CG 4.49Å; L23-E26 HydrophobicContact CD2-CG 4.16Å; L23-E26 VanDerWaalsContact O-CB 3.32Å; L23-E26 WeakPolarHBondContact O-CB 3.37Å; L23-E26 PolarHBondContact O-N 3.24Å; E26-L29 HydrophobicContact CB-CB 4.07Å; E26-L29 HydrophobicContact CB-CD2 4.16Å; E26-I234 HydrophobicContact CG-CG2 4.47Å; E26-I234 WeakPolarHBondContact OE1-CG2 3.42Å; E26-R238 IonicContact OE1-CZ 2.79Å; E26-R238 IonicContact OE1-NE 3.69Å; E26-R238 PolarHBondContact OE1-NE 2.71Å; E26-R238 IonicContact OE1-NH2 3.68Å; E26-R238 PolarHBondContact OE1-NH2 3.38Å; E26-R238 IonicContact OE2-CZ 3.77Å; E26-R238 IonicContact OE2-NE 2.66Å; E26-R238 PolarHBondContact OE2-NE 3.4Å; E26-R238 IonicContact OE2-NH2 3.59Å; E26-R238 PolarHBondContact OE2-NH2 3.22Å
27	K	89.6	Confident	95.9	Very high	183 Å²	183	49 Å²	49	80%	0.796	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	144.9	177.1	-61.8	-177.5	-177.9	179.6	0	109.9	W4 L29	W4-K27 PolarHBondContact NE1-O 3.46Å; K27-L29 PolarHBondContact O-N 2.88Å
28	E	90.4	Very high	95.8	Very high	151 Å²	151	50.7 Å²	50.7	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	8	175.9	-50.1	-179.2	149.2	0	0	114.5	G3 W4 K30	G3-E28 CarbonylContact C-O 3.6Å; G3-E28 WeakPolarHBondContact CA-O 3.46Å; W4-E28 PolarHBondContact N-O 3.07Å; E28-K30 PolarHBondContact O-N 3.32Å
29	L	94.8	Very high	95.7	Very high	8 Å²	8	50 Å²	50	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.9	171.4	-175.5	58.1	0	0	0	109.1	W4 C6 L23 E26 K27 E31 I32 T54	W4-L29 HydrophobicContact CD2-CD1 3.72Å; W4-L29 HydrophobicContact CE3-CD1 3.53Å; W4-L29 HydrophobicContact CH2-CB 4.49Å; W4-L29 HydrophobicContact CH2-CD1 3.62Å; W4-L29 HydrophobicContact CH2-CD2 4.28Å; W4-L29 HydrophobicContact CH2-CG 4.34Å; W4-L29 HydrophobicContact CZ2-CB 3.97Å; W4-L29 HydrophobicContact CZ2-CD1 3.82Å; W4-L29 HydrophobicContact CZ2-CD2 4.49Å; W4-L29 HydrophobicContact CZ2-CG 4.3Å; W4-L29 HydrophobicContact CZ3-CD1 3.5Å; W4-L29 VanDerWaalsContact CZ3-CD1 3.5Å; W4-L29 VanDerWaalsContact O-CD1 3.3Å; W4-L29 WeakPolarHBondContact O-CD1 3.49Å; C6-L29 HydrophobicContact CB-CD1 4.1Å; L23-L29 HydrophobicContact CB-CD2 4.03Å; L23-L29 HydrophobicContact CD2-CD2 4.38Å; L23-L29 WeakPolarHBondContact O-CD2 3.23Å; E26-L29 HydrophobicContact CB-CB 4.07Å; E26-L29 HydrophobicContact CB-CD2 4.16Å; K27-L29 PolarHBondContact O-N 2.88Å; L29-E31 WeakPolarHBondContact CD1-O 3.48Å; L29-I32 HydrophobicContact CD2-CD1 3.82Å; L29-I32 HydrophobicContact CD2-CG1 3.54Å; L29-I32 HydrophobicContact CG-CG1 4.2Å; L29-T54 HydrophobicContact CD2-CG2 4.06Å; L29-T54 HydrophobicContact CG-CG2 3.87Å; L29-T54 PolarHBondContact O-OG1 3.25Å
30	K	95.1	Very high	95.4	Very high	126 Å²	126	57.8 Å²	57.8	55%	0.548	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-41.2	-178.5	178	-173.4	170.8	-167.3	0	111.4	W4 E28 K55	W4-K30 PolarHBondContact O-N 3.19Å; E28-K30 PolarHBondContact O-N 3.32Å; K30-K55 WeakPolarHBondContact O-CB 3.36Å; K30-K55 PolarHBondContact O-N 2.88Å
31	E	96.6	Very high	95.1	Very high	18 Å²	18	61.8 Å²	61.8	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.7	-173.7	-177	174.8	-127.5	0	0	112.1	S5 C6 L29 R33 K55 T57	S5-E31 CarbonylContact C-O 3.45Å; S5-E31 VanDerWaalsContact CA-O 3.26Å; S5-E31 WeakPolarHBondContact CA-O 3.44Å; C6-E31 PolarHBondContact N-O 2.88Å; L29-E31 WeakPolarHBondContact CD1-O 3.48Å; E31-R33 HydrophobicContact CG-CG 4.08Å; E31-R33 IonicContact OE2-CZ 3.41Å; E31-R33 IonicContact OE2-NE 3.54Å; E31-R33 PolarHBondContact OE2-NE 3.16Å; E31-R33 IonicContact OE2-NH2 3.38Å; E31-R33 PolarHBondContact OE2-NH2 2.99Å; E31-K55 CarbonylContact C-O 3.37Å; E31-K55 VanDerWaalsContact CA-O 3.23Å; E31-K55 WeakPolarHBondContact CA-O 3.43Å; E31-K55 HydrophobicContact CB-CB 4.41Å; E31-K55 HydrophobicContact CG-CB 4.41Å; E31-K55 HydrophobicContact CG-CD 4.45Å; E31-K55 IonicContact OE1-NZ 3.42Å; E31-K55 PolarHBondContact OE1-NZ 3.38Å; E31-T57 PolarHBondContact OE1-OG1 3.07Å
32	I	97.9	Very high	94.9	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.7	163.4	-57.4	162.9	0	0	0	107.6	C6 V8 V20 L23 V24 L29 V34 T54 K55 L56 T57	C6-I32 CarbonylContact O-C 3.5Å; C6-I32 WeakPolarHBondContact O-CA 3.48Å; V8-I32 HydrophobicContact CG2-CG2 4.2Å; V20-I32 HydrophobicContact CG1-CG2 4.49Å; V20-I32 HydrophobicContact CG2-CG2 4.4Å; L23-I32 HydrophobicContact CB-CD1 3.59Å; L23-I32 HydrophobicContact CB-CG1 4.24Å; L23-I32 HydrophobicContact CD1-CG2 4.45Å; V24-I32 HydrophobicContact CB-CD1 4.44Å; V24-I32 HydrophobicContact CG1-CD1 3.58Å; L29-I32 HydrophobicContact CD2-CD1 3.82Å; L29-I32 HydrophobicContact CD2-CG1 3.54Å; L29-I32 HydrophobicContact CG-CG1 4.2Å; I32-V34 HydrophobicContact CG2-CG1 3.8Å; I32-T54 HydrophobicContact CD1-CG2 3.82Å; I32-T54 HydrophobicContact CG1-CG2 3.8Å; I32-K55 PolarHBondContact N-O 3.39Å; I32-L56 HydrophobicContact CB-CG 4.43Å; I32-L56 CarbonylContact O-C 3.59Å; I32-L56 WeakPolarHBondContact O-CA 3.37Å; I32-T57 PolarHBondContact O-N 3.41Å
33	R	98.3	Very high	94.7	Very high	33 Å²	33	61 Å²	61	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.3	168.4	-62.5	179.9	-172.9	174.4	7.8	107.9	C6 L7 V8 E31 T57 L59 A72 Q74	C6-R33 PolarHBondContact O-N 3.17Å; L7-R33 WeakPolarHBondContact CA-O 3.45Å; L7-R33 HydrophobicContact CB-CB 4.47Å; L7-R33 HydrophobicContact CD1-CB 3.71Å; V8-R33 PolarHBondContact N-O 2.79Å; E31-R33 HydrophobicContact CG-CG 4.08Å; E31-R33 IonicContact OE2-CZ 3.41Å; E31-R33 IonicContact OE2-NE 3.54Å; E31-R33 PolarHBondContact OE2-NE 3.16Å; E31-R33 IonicContact OE2-NH2 3.38Å; E31-R33 PolarHBondContact OE2-NH2 2.99Å; R33-T57 CarbonylContact C-O 3.55Å; R33-T57 WeakPolarHBondContact CA-O 3.31Å; R33-L59 HydrophobicContact CB-CD1 3.92Å; R33-L59 HydrophobicContact CG-CD1 4.4Å; R33-A72 WeakPolarHBondContact CD-O 3.25Å; R33-A72 PolarHBondContact NH1-O 2.85Å; R33-Q74 PolarHBondContact NH1-O 2.94Å; R33-Q74 PolarHBondContact NH2-O 2.84Å
34	V	98.4	Very high	94.5	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114	179.1	-63.4	0	0	0	0	108.4	A11 V20 I32 F39 F47 L56 T57 V58 L59	A11-V34 HydrophobicContact CB-CB 3.55Å; A11-V34 HydrophobicContact CB-CG1 3.97Å; V20-V34 HydrophobicContact CB-CG1 4.47Å; V20-V34 HydrophobicContact CG1-CG1 4Å; V20-V34 HydrophobicContact CG2-CG1 3.56Å; I32-V34 HydrophobicContact CG2-CG1 3.8Å; V34-F39 HydrophobicContact CB-CE1 4.43Å; V34-F39 HydrophobicContact CB-CZ 4.28Å; V34-F39 HydrophobicContact CG2-CE1 4.27Å; V34-F39 HydrophobicContact CG2-CZ 4.14Å; V34-F39 WeakPolarHBondContact O-CZ 3.43Å; V34-F47 HydrophobicContact CB-CE2 4.08Å; V34-F47 HydrophobicContact CG1-CE2 4.17Å; V34-F47 HydrophobicContact CG2-CD2 3.8Å; V34-F47 HydrophobicContact CG2-CE2 3.83Å; V34-L56 HydrophobicContact CG1-CD2 4.33Å; V34-T57 PolarHBondContact N-O 3.37Å; V34-V58 HydrophobicContact CG2-CB 4.11Å; V34-V58 HydrophobicContact CG2-CG1 4.32Å; V34-V58 HydrophobicContact CG2-CG2 3.76Å; V34-L59 PolarHBondContact O-N 3Å
35	L	98.6	Very high	94.3	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.9	-177.9	-174.2	162.8	0	0	0	110.4	L7 V8 T9 G10 A11 L59 I63 F68 L69 A72	L7-L35 HydrophobicContact CD1-CB 3.84Å; L7-L35 HydrophobicContact CD1-CD1 4.28Å; V8-L35 PolarHBondContact O-N 3.38Å; T9-L35 CarbonylContact C-O 3.56Å; T9-L35 WeakPolarHBondContact CA-O 3.21Å; T9-L35 HydrophobicContact CG2-CB 4.22Å; T9-L35 HydrophobicContact CG2-CD1 4.27Å; T9-L35 HydrophobicContact CG2-CD2 4.11Å; T9-L35 HydrophobicContact CG2-CG 4.44Å; G10-L35 PolarHBondContact N-O 2.79Å; A11-L35 PolarHBondContact N-O 2.89Å; L35-L59 VanDerWaalsContact CA-O 3.3Å; L35-L59 WeakPolarHBondContact CA-O 3.36Å; L35-L59 HydrophobicContact CB-CB 4.24Å; L35-L59 HydrophobicContact CG-CB 4.41Å; L35-I63 HydrophobicContact CD2-CG2 3.72Å; L35-F68 HydrophobicContact CD1-CD1 4.11Å; L35-F68 HydrophobicContact CD1-CE1 3.62Å; L35-F68 HydrophobicContact CG-CE1 4.06Å; L35-L69 HydrophobicContact CD1-CD2 4.02Å; L35-A72 HydrophobicContact CD1-CB 3.98Å
36	D	98.1	Very high	94.2	Very high	34 Å²	34	67.3 Å²	67.3	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.7	169.4	-146.4	-53.7	0	0	0	109.8	G10 A11 G12 G13 A38 F39 L59 E60 G61	G10-D36 VanDerWaalsContact CA-OD2 3.26Å; G10-D36 WeakPolarHBondContact CA-OD2 3.28Å; A11-D36 PolarHBondContact N-OD2 3.23Å; G12-D36 WeakPolarHBondContact CA-OD2 3.25Å; G12-D36 PolarHBondContact N-OD2 3.46Å; G13-D36 PolarHBondContact N-OD2 3.15Å; D36-A38 PolarHBondContact O-N 3.28Å; D36-F39 HydrophobicContact CB-CD1 4.43Å; D36-F39 HydrophobicContact CB-CD2 4.21Å; D36-F39 HydrophobicContact CB-CE1 3.83Å; D36-F39 HydrophobicContact CB-CE2 3.61Å; D36-F39 HydrophobicContact CB-CZ 3.4Å; D36-F39 VanDerWaalsContact CB-CZ 3.4Å; D36-L59 PolarHBondContact N-O 3.38Å; D36-E60 WeakPolarHBondContact O-CA 3.46Å; D36-G61 CarbonylContact C-O 3.57Å; D36-G61 PolarHBondContact O-N 2.93Å
37	K	95.4	Very high	94.2	Very high	136 Å²	136	66.3 Å²	66.3	59%	0.591	31%	0.31	S	S	*	.	S	Bend	trans	-66	-31.4	177.5	-177.6	169.7	-177.2	144	0	111.7	E60 G61 D62	K37-E60 WeakPolarHBondContact O-CG 3.45Å; K37-G61 WeakPolarHBondContact CA-O 3.43Å; K37-G61 PolarHBondContact N-O 3.45Å; K37-D62 WeakPolarHBondContact CE-OD2 3.48Å; K37-D62 IonicContact NZ-OD2 2.95Å; K37-D62 PolarHBondContact NZ-OD2 2.88Å
38	A	94.7	Very high	94.1	Very high	64 Å²	64	60.5 Å²	60.5	53%	0.529	29%	0.293	S	S	.	.			trans	-152.4	142.4	175.8	0	0	0	0	0	110.4	D36	D36-A38 PolarHBondContact O-N 3.28Å
39	F	94.4	Very high	94.1	Very high	14 Å²	14	61 Å²	61	6%	0.061	29%	0.292	C	S	.	.			trans	-114.7	133.3	170.9	-68.3	-89.5	0	0	0	111.2	A11 V34 D36 L43 R44 F47 V58 E60	A11-F39 HydrophobicContact CB-CE1 4.38Å; V34-F39 HydrophobicContact CB-CE1 4.43Å; V34-F39 HydrophobicContact CB-CZ 4.28Å; V34-F39 HydrophobicContact CG2-CE1 4.27Å; V34-F39 HydrophobicContact CG2-CZ 4.14Å; V34-F39 WeakPolarHBondContact O-CZ 3.43Å; D36-F39 HydrophobicContact CB-CD1 4.43Å; D36-F39 HydrophobicContact CB-CD2 4.21Å; D36-F39 HydrophobicContact CB-CE1 3.83Å; D36-F39 HydrophobicContact CB-CE2 3.61Å; D36-F39 HydrophobicContact CB-CZ 3.4Å; D36-F39 VanDerWaalsContact CB-CZ 3.4Å; F39-L43 HydrophobicContact CD1-CD2 4.14Å; F39-R44 HydrophobicContact CB-CG 3.79Å; F39-F47 HydrophobicContact CD1-CE2 4.13Å; F39-F47 AromaticContact CE1-CE2 3.81Å; F39-F47 HydrophobicContact CE1-CE2 3.81Å; F39-V58 HydrophobicContact CD2-CG1 3.63Å; F39-V58 HydrophobicContact CE2-CG1 3.63Å; F39-V58 HydrophobicContact CG-CG1 4.1Å; F39-V58 HydrophobicContact CZ-CG1 4.11Å; F39-E60 HydrophobicContact CD2-CB 4.29Å; F39-E60 HydrophobicContact CD2-CG 4.46Å; F39-E60 PolarHBondContact N-OE2 3.17Å
40	R	92.6	Very high	93.7	Very high	163 Å²	163	62.9 Å²	62.9	62%	0.615	30%	0.302	S	S	*	.			trans	-61.6	141.4	168.7	-74.9	175.5	47.5	-166.2	-12.9	110.6	E42 L43 R44	R40-E42 VanDerWaalsContact C-N 3.3Å; R40-E42 IonicContact CZ-OE2 3.23Å; R40-E42 VanDerWaalsContact CZ-OE2 3.23Å; R40-E42 IonicContact NE-OE2 2.87Å; R40-E42 PolarHBondContact NE-OE2 3.01Å; R40-E42 IonicContact NH2-OE2 2.73Å; R40-E42 PolarHBondContact NH2-OE2 3.02Å; R40-E42 PolarHBondContact O-N 2.79Å; R40-L43 HydrophobicContact CB-CB 4.22Å; R40-L43 PolarHBondContact O-N 3.21Å; R40-R44 PolarHBondContact O-N 3.18Å; R40-R44 VanDerWaalsContact O-N 3.12Å
41	P	92.3	Very high	92.9	Very high	84 Å²	84	62 Å²	62	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-53	-46.2	177.5	-27	35.4	0	0	0	112.7	L43 R44 E45	P41-L43 VanDerWaalsContact C-N 3.26Å; P41-L43 PolarHBondContact O-N 3.11Å; P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.48Å; P41-E45 PolarHBondContact O-N 3.26Å; P41-E45 VanDerWaalsContact O-N 3.12Å
42	E	91.6	Very high	91.9	Very high	88 Å²	88	66 Å²	66	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-37	179.6	-47.6	77.8	-131.8	0	0	112	R40 E45 E46	R40-E42 VanDerWaalsContact C-N 3.3Å; R40-E42 IonicContact CZ-OE2 3.23Å; R40-E42 VanDerWaalsContact CZ-OE2 3.23Å; R40-E42 IonicContact NE-OE2 2.87Å; R40-E42 PolarHBondContact NE-OE2 3.01Å; R40-E42 IonicContact NH2-OE2 2.73Å; R40-E42 PolarHBondContact NH2-OE2 3.02Å; R40-E42 PolarHBondContact O-N 2.79Å; E42-E45 PolarHBondContact O-N 2.98Å; E42-E46 WeakPolarHBondContact O-CG 3.4Å; E42-E46 PolarHBondContact O-N 3.3Å
43	L	91.8	Very high	91.2	Very high	9 Å²	9	75.7 Å²	75.7	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-70.8	-33.4	178.3	-174.9	60.7	0	0	0	111.9	Q17 F39 R40 P41 E45 E46 F47	Q17-L43 HydrophobicContact CB-CD1 4.35Å; F39-L43 HydrophobicContact CD1-CD2 4.14Å; R40-L43 HydrophobicContact CB-CB 4.22Å; R40-L43 PolarHBondContact O-N 3.21Å; P41-L43 VanDerWaalsContact C-N 3.26Å; P41-L43 PolarHBondContact O-N 3.11Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E46 HydrophobicContact CD1-CB 4.42Å; L43-E46 PolarHBondContact O-N 3.03Å; L43-F47 HydrophobicContact CD1-CD1 4.06Å; L43-F47 HydrophobicContact CD1-CE1 3.63Å; L43-F47 HydrophobicContact CD1-CE2 4.31Å; L43-F47 HydrophobicContact CD1-CZ 3.77Å; L43-F47 HydrophobicContact CD2-CE2 4.2Å; L43-F47 HydrophobicContact CD2-CZ 4.09Å; L43-F47 HydrophobicContact CG-CD2 4.32Å; L43-F47 HydrophobicContact CG-CE1 4.2Å; L43-F47 HydrophobicContact CG-CE2 3.97Å; L43-F47 HydrophobicContact CG-CZ 3.92Å; L43-F47 WeakPolarHBondContact O-CB 3.26Å; L43-F47 WeakPolarHBondContact O-CG 3.42Å; L43-F47 PolarHBondContact O-N 2.97Å
44	R	92.1	Very high	90.9	Very high	93 Å²	93	74.4 Å²	74.4	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-41.1	173.1	-66.1	174.1	170.6	-88.6	2.4	110.9	F39 R40 P41 F47 S48 E60	F39-R44 HydrophobicContact CB-CG 3.79Å; R40-R44 PolarHBondContact O-N 3.18Å; R40-R44 VanDerWaalsContact O-N 3.12Å; P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.48Å; R44-F47 PolarHBondContact O-N 3.49Å; R44-S48 PolarHBondContact O-N 3.49Å; R44-E60 IonicContact CZ-OE2 2.74Å; R44-E60 IonicContact NH2-OE1 3.9Å; R44-E60 IonicContact NH2-OE2 3.07Å; R44-E60 PolarHBondContact NH2-OE2 3.43Å
45	E	91.5	Very high	90.7	Very high	112 Å²	112	80.1 Å²	80.1	52%	0.523	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-38.6	174.5	-65.9	-178.3	-173.5	0	0	112.7	P41 E42 L43 S48 K49	P41-E45 PolarHBondContact O-N 3.26Å; P41-E45 VanDerWaalsContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 2.98Å; L43-E45 VanDerWaalsContact C-N 3.31Å; E45-S48 PolarHBondContact O-N 2.91Å; E45-S48 PolarHBondContact O-OG 3.26Å; E45-K49 VanDerWaalsContact O-CG 3.28Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3Å
46	E	91.1	Very high	90.6	Very high	74 Å²	74	80.3 Å²	80.3	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-45.4	173	-74.7	-179.9	-159	0	0	111.1	R21 E42 L43 S48 K49 L50	R21-E46 IonicContact CZ-OE2 3.25Å; R21-E46 IonicContact NH2-OE2 2.89Å; R21-E46 PolarHBondContact NH2-OE2 3.35Å; E42-E46 WeakPolarHBondContact O-CG 3.4Å; E42-E46 PolarHBondContact O-N 3.3Å; L43-E46 HydrophobicContact CD1-CB 4.42Å; L43-E46 PolarHBondContact O-N 3.03Å; E46-S48 PolarHBondContact O-N 3.34Å; E46-K49 PolarHBondContact O-N 2.93Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.47Å; E46-L50 VanDerWaalsContact O-N 3.15Å
47	F	92.4	Very high	90.5	Very high	1 Å²	1	80.2 Å²	80.2	0%	0.004	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-33.9	178.7	-73.1	-10.7	0	0	0	113.5	Q17 V20 V34 F39 L43 R44 K49 L50 L56 V58	Q17-F47 HydrophobicContact CB-CE1 4.49Å; Q17-F47 HydrophobicContact CB-CZ 4.4Å; V20-F47 HydrophobicContact CB-CE1 4.35Å; V20-F47 HydrophobicContact CB-CZ 4.47Å; V20-F47 HydrophobicContact CG1-CD1 4.37Å; V20-F47 HydrophobicContact CG1-CE1 3.94Å; V20-F47 HydrophobicContact CG1-CZ 4.28Å; V20-F47 HydrophobicContact CG2-CZ 4.49Å; V34-F47 HydrophobicContact CB-CE2 4.08Å; V34-F47 HydrophobicContact CG1-CE2 4.17Å; V34-F47 HydrophobicContact CG2-CD2 3.8Å; V34-F47 HydrophobicContact CG2-CE2 3.83Å; F39-F47 HydrophobicContact CD1-CE2 4.13Å; F39-F47 AromaticContact CE1-CE2 3.81Å; F39-F47 HydrophobicContact CE1-CE2 3.81Å; L43-F47 HydrophobicContact CD1-CD1 4.06Å; L43-F47 HydrophobicContact CD1-CE1 3.63Å; L43-F47 HydrophobicContact CD1-CE2 4.31Å; L43-F47 HydrophobicContact CD1-CZ 3.77Å; L43-F47 HydrophobicContact CD2-CE2 4.2Å; L43-F47 HydrophobicContact CD2-CZ 4.09Å; L43-F47 HydrophobicContact CG-CD2 4.32Å; L43-F47 HydrophobicContact CG-CE1 4.2Å; L43-F47 HydrophobicContact CG-CE2 3.97Å; L43-F47 HydrophobicContact CG-CZ 3.92Å; L43-F47 WeakPolarHBondContact O-CB 3.26Å; L43-F47 WeakPolarHBondContact O-CG 3.42Å; L43-F47 PolarHBondContact O-N 2.97Å; R44-F47 PolarHBondContact O-N 3.49Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-L50 HydrophobicContact CD1-CD1 4.02Å; F47-L50 PolarHBondContact O-N 3.38Å; F47-L56 HydrophobicContact CB-CD2 4.45Å; F47-L56 HydrophobicContact CG-CD2 4.46Å; F47-V58 HydrophobicContact CD2-CG2 4.5Å
48	S	88.6	Confident	90.6	Very high	61 Å²	61	76 Å²	76	43%	0.427	37%	0.372	S	S	.	.	H	α-helix	trans	-66.5	-35.6	173.9	67.9	0	0	0	0	111.7	R44 E45 E46 L50 Q51	R44-S48 PolarHBondContact O-N 3.49Å; E45-S48 PolarHBondContact O-N 2.91Å; E45-S48 PolarHBondContact O-OG 3.26Å; E46-S48 PolarHBondContact O-N 3.34Å; S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 PolarHBondContact O-N 3.21Å; S48-Q51 WeakPolarHBondContact O-CB 3.33Å; S48-Q51 PolarHBondContact O-N 3.32Å
49	K	89.9	Confident	90.7	Very high	162 Å²	162	74.7 Å²	74.7	70%	0.704	36%	0.356	S	S	*	.	H	α-helix	trans	-70	-23.7	175.3	-67.6	168.1	-170	170.9	0	113.6	E45 E46 F47 Q51	E45-K49 VanDerWaalsContact O-CG 3.28Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3Å; E46-K49 PolarHBondContact O-N 2.93Å; F47-K49 VanDerWaalsContact C-N 3.31Å; K49-Q51 VanDerWaalsContact C-N 3.28Å
50	L	86.6	Confident	90.8	Very high	48 Å²	48	78.7 Å²	78.7	25%	0.251	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.8	174.9	-68.6	176.4	0	0	0	113.2	R21 V24 E46 F47 S48 N52 L56	R21-L50 HydrophobicContact CG-CD1 3.91Å; V24-L50 HydrophobicContact CG1-CB 4.46Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.47Å; E46-L50 VanDerWaalsContact O-N 3.15Å; F47-L50 HydrophobicContact CD1-CD1 4.02Å; F47-L50 PolarHBondContact O-N 3.38Å; S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 PolarHBondContact O-N 3.21Å; L50-N52 PolarHBondContact O-N 2.88Å; L50-L56 HydrophobicContact CB-CD1 3.88Å
51	Q	77.5	Confident	91	Very high	108 Å²	108	71.6 Å²	71.6	51%	0.505	35%	0.353	S	S	.	.			trans	-67.3	106.9	178.1	-66	-178.8	-4.2	0	0	109.8	S48 K49 L56	S48-Q51 WeakPolarHBondContact O-CB 3.33Å; S48-Q51 PolarHBondContact O-N 3.32Å; K49-Q51 VanDerWaalsContact C-N 3.28Å; Q51-L56 HydrophobicContact CG-CB 4.02Å; Q51-L56 HydrophobicContact CG-CD1 3.87Å; Q51-L56 PolarHBondContact NE2-O 3.44Å
52	N	76.8	Confident	91.3	Very high	102 Å²	102	69.6 Å²	69.6	55%	0.545	34%	0.338	S	S	.	.	S	Bend	trans	-121.6	-114.3	174.9	63.8	7.4	0	0	0	109.8	L50 T54	L50-N52 PolarHBondContact O-N 2.88Å; N52-T54 VanDerWaalsContact C-N 3.28Å; N52-T54 PolarHBondContact OD1-N 3.48Å; N52-T54 VanDerWaalsContact OD1-N 3.09Å
53	K	82.4	Confident	91.6	Very high	203 Å²	203	65.8 Å²	65.8	88%	0.883	32%	0.32	S	S	*	.	S	Bend	trans	-69.9	-25	168.8	-63.6	177	-178.8	175.9	0	112.4
54	T	91.7	Very high	91.9	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.031	33%	0.334	C	S	.	.	S	Bend	trans	-100.6	123.1	-178.7	-55.1	0	0	0	0	110.4	L29 I32 N52 L56	L29-T54 HydrophobicContact CD2-CG2 4.06Å; L29-T54 HydrophobicContact CG-CG2 3.87Å; L29-T54 PolarHBondContact O-OG1 3.25Å; I32-T54 HydrophobicContact CD1-CG2 3.82Å; I32-T54 HydrophobicContact CG1-CG2 3.8Å; N52-T54 VanDerWaalsContact C-N 3.28Å; N52-T54 PolarHBondContact OD1-N 3.48Å; N52-T54 VanDerWaalsContact OD1-N 3.09Å; T54-L56 PolarHBondContact O-N 2.96Å
55	K	94.6	Very high	92.1	Very high	120 Å²	120	67.3 Å²	67.3	52%	0.522	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	176	-178.4	-175.1	175	-140.8	0	109.8	K30 E31 I32 T57	K30-K55 WeakPolarHBondContact O-CB 3.36Å; K30-K55 PolarHBondContact O-N 2.88Å; E31-K55 CarbonylContact C-O 3.37Å; E31-K55 VanDerWaalsContact CA-O 3.23Å; E31-K55 WeakPolarHBondContact CA-O 3.43Å; E31-K55 HydrophobicContact CB-CB 4.41Å; E31-K55 HydrophobicContact CG-CB 4.41Å; E31-K55 HydrophobicContact CG-CD 4.45Å; E31-K55 IonicContact OE1-NZ 3.42Å; E31-K55 PolarHBondContact OE1-NZ 3.38Å; I32-K55 PolarHBondContact N-O 3.39Å; K55-T57 VanDerWaalsContact CE-OG1 3.3Å; K55-T57 WeakPolarHBondContact CE-OG1 3.18Å; K55-T57 PolarHBondContact NZ-OG1 3.35Å
56	L	95.9	Very high	92.4	Very high	5 Å²	5	66 Å²	66	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.1	167.8	-73.1	106.6	0	0	0	111	V20 V24 I32 V34 F47 L50 Q51 T54	V20-L56 HydrophobicContact CG1-CD2 3.48Å; V20-L56 VanDerWaalsContact CG1-CD2 3.48Å; V24-L56 HydrophobicContact CG1-CD1 3.93Å; V24-L56 HydrophobicContact CG1-CD2 4.47Å; I32-L56 HydrophobicContact CB-CG 4.43Å; I32-L56 CarbonylContact O-C 3.59Å; I32-L56 WeakPolarHBondContact O-CA 3.37Å; V34-L56 HydrophobicContact CG1-CD2 4.33Å; F47-L56 HydrophobicContact CB-CD2 4.45Å; F47-L56 HydrophobicContact CG-CD2 4.46Å; L50-L56 HydrophobicContact CB-CD1 3.88Å; Q51-L56 HydrophobicContact CG-CB 4.02Å; Q51-L56 HydrophobicContact CG-CD1 3.87Å; Q51-L56 PolarHBondContact NE2-O 3.44Å; T54-L56 PolarHBondContact O-N 2.96Å
57	T	96.3	Very high	92.7	Very high	33 Å²	33	66 Å²	66	20%	0.202	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	178.6	-62	0	0	0	0	109.8	E31 I32 R33 V34 K55 L59	E31-T57 PolarHBondContact OE1-OG1 3.07Å; I32-T57 PolarHBondContact O-N 3.41Å; R33-T57 CarbonylContact C-O 3.55Å; R33-T57 WeakPolarHBondContact CA-O 3.31Å; V34-T57 PolarHBondContact N-O 3.37Å; K55-T57 VanDerWaalsContact CE-OG1 3.3Å; K55-T57 WeakPolarHBondContact CE-OG1 3.18Å; K55-T57 PolarHBondContact NZ-OG1 3.35Å; T57-L59 HydrophobicContact CG2-CD2 3.96Å; T57-L59 HydrophobicContact CG2-CG 4.44Å
58	V	97	Very high	93	Very high	48 Å²	48	67.6 Å²	67.6	29%	0.291	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.3	179.9	-175.6	0	0	0	0	110.3	V34 F39 F47	V34-V58 HydrophobicContact CG2-CB 4.11Å; V34-V58 HydrophobicContact CG2-CG1 4.32Å; V34-V58 HydrophobicContact CG2-CG2 3.76Å; F39-V58 HydrophobicContact CD2-CG1 3.63Å; F39-V58 HydrophobicContact CE2-CG1 3.63Å; F39-V58 HydrophobicContact CG-CG1 4.1Å; F39-V58 HydrophobicContact CZ-CG1 4.11Å; F47-V58 HydrophobicContact CD2-CG2 4.5Å
59	L	97.6	Very high	93.4	Very high	35 Å²	35	64.7 Å²	64.7	18%	0.183	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	94.8	178.9	-59.7	-175.9	0	0	0	108.9	L7 R33 V34 L35 D36 T57 G61 F68 A72	L7-L59 HydrophobicContact CD1-CD1 4.31Å; R33-L59 HydrophobicContact CB-CD1 3.92Å; R33-L59 HydrophobicContact CG-CD1 4.4Å; V34-L59 PolarHBondContact O-N 3Å; L35-L59 VanDerWaalsContact CA-O 3.3Å; L35-L59 WeakPolarHBondContact CA-O 3.36Å; L35-L59 HydrophobicContact CB-CB 4.24Å; L35-L59 HydrophobicContact CG-CB 4.41Å; D36-L59 PolarHBondContact N-O 3.38Å; T57-L59 HydrophobicContact CG2-CD2 3.96Å; T57-L59 HydrophobicContact CG2-CG 4.44Å; L59-G61 PolarHBondContact O-N 3.02Å; L59-F68 HydrophobicContact CB-CE1 4.25Å; L59-F68 HydrophobicContact CB-CZ 3.9Å; L59-A72 HydrophobicContact CD1-CB 3.8Å
60	E	97.5	Very high	93.7	Very high	98 Å²	98	61.6 Å²	61.6	46%	0.458	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.8	173	-168.2	166.7	93.6	0	0	109.5	D36 K37 F39 R44	D36-E60 WeakPolarHBondContact O-CA 3.46Å; K37-E60 WeakPolarHBondContact O-CG 3.45Å; F39-E60 HydrophobicContact CD2-CB 4.29Å; F39-E60 HydrophobicContact CD2-CG 4.46Å; F39-E60 PolarHBondContact N-OE2 3.17Å; R44-E60 IonicContact CZ-OE2 2.74Å; R44-E60 IonicContact NH2-OE1 3.9Å; R44-E60 IonicContact NH2-OE2 3.07Å; R44-E60 PolarHBondContact NH2-OE2 3.43Å
61	G	96.6	Very high	94.2	Very high	15 Å²	15	65.7 Å²	65.7	16%	0.155	32%	0.32	C	S	.	.			trans	-175.7	164	-174.7	0	0	0	0	0	112.8	D36 K37 L59	D36-G61 CarbonylContact C-O 3.57Å; D36-G61 PolarHBondContact O-N 2.93Å; K37-G61 WeakPolarHBondContact CA-O 3.43Å; K37-G61 PolarHBondContact N-O 3.45Å; L59-G61 PolarHBondContact O-N 3.02Å
62	D	97	Very high	95.2	Very high	42 Å²	42	60.7 Å²	60.7	23%	0.225	30%	0.298	C	S	.	.			trans	-94.6	138.4	-177.9	-157.4	-46.1	0	0	0	110.5	K37 L64 D65	K37-D62 WeakPolarHBondContact CE-OD2 3.48Å; K37-D62 IonicContact NZ-OD2 2.95Å; K37-D62 PolarHBondContact NZ-OD2 2.88Å; D62-L64 PolarHBondContact O-N 3.18Å; D62-L64 VanDerWaalsContact O-N 3.14Å; D62-L64 WeakPolarHBondContact OD1-CB 3.44Å; D62-L64 WeakPolarHBondContact OD1-CG 3.38Å; D62-L64 PolarHBondContact OD1-N 3.43Å; D62-D65 WeakPolarHBondContact O-CB 3.22Å; D62-D65 PolarHBondContact O-N 2.89Å
63	I	97.8	Very high	96.2	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.4	174.9	65.4	170.5	0	0	0	112.8	L35 L69 A83 V100	L35-I63 HydrophobicContact CD2-CG2 3.72Å; I63-L69 HydrophobicContact CB-CD2 4.42Å; I63-L69 HydrophobicContact CG2-CD2 4.36Å; I63-L69 VanDerWaalsContact O-CD1 3.24Å; I63-L69 WeakPolarHBondContact O-CD1 3.3Å; I63-A83 HydrophobicContact CD1-CB 4.06Å; I63-A83 HydrophobicContact CG2-CB 4.23Å; I63-V100 HydrophobicContact CD1-CG1 3.9Å; I63-V100 HydrophobicContact CG1-CG1 4.4Å
64	L	97.9	Very high	96.9	Very high	65 Å²	65	51.3 Å²	51.3	34%	0.34	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.1	169.9	-59.8	178.8	0	0	0	113.1	D62 E66 N99 V100	D62-L64 PolarHBondContact O-N 3.18Å; D62-L64 VanDerWaalsContact O-N 3.14Å; D62-L64 WeakPolarHBondContact OD1-CB 3.44Å; D62-L64 WeakPolarHBondContact OD1-CG 3.38Å; D62-L64 PolarHBondContact OD1-N 3.43Å; L64-E66 PolarHBondContact O-N 2.87Å; L64-N99 HydrophobicContact CD1-CB 4.44Å; L64-N99 WeakPolarHBondContact CD2-O 3.38Å; L64-V100 HydrophobicContact CD1-CG2 4.24Å
65	D	98.3	Very high	97.1	Very high	69 Å²	69	57.7 Å²	57.7	37%	0.369	29%	0.288	S	S	.	.			trans	-90.2	96.8	176.2	-176.8	-27.7	0	0	0	110.3	D62 P67 F68 L69	D62-D65 WeakPolarHBondContact O-CB 3.22Å; D62-D65 PolarHBondContact O-N 2.89Å; D65-P67 WeakPolarHBondContact OD1-CD 3.48Å; D65-F68 HydrophobicContact CB-CB 3.74Å; D65-F68 WeakPolarHBondContact O-CB 3.37Å; D65-F68 PolarHBondContact O-N 2.97Å; D65-F68 WeakPolarHBondContact OD1-CB 3.41Å; D65-F68 PolarHBondContact OD1-N 3.07Å; D65-L69 WeakPolarHBondContact O-CG 3.47Å; D65-L69 PolarHBondContact O-N 2.91Å
66	E	97.1	Very high	97.3	Very high	83 Å²	83	52.2 Å²	52.2	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-46.5	-177.6	-42.7	-179.6	177	0	0	113.4	L64 F68 L69 K70 L107	L64-E66 PolarHBondContact O-N 2.87Å; E66-F68 VanDerWaalsContact C-N 3.26Å; E66-F68 PolarHBondContact O-N 3.1Å; E66-L69 PolarHBondContact O-N 3.36Å; E66-K70 WeakPolarHBondContact O-CG 3.16Å; E66-K70 PolarHBondContact O-N 2.97Å; E66-L107 HydrophobicContact CG-CD1 3.91Å; E66-L107 HydrophobicContact CG-CD2 3.62Å; E66-L107 HydrophobicContact CG-CG 4.26Å; E66-L107 WeakPolarHBondContact OE1-CD2 3.49Å
67	P	97.4	Very high	97.3	Very high	74 Å²	74	55 Å²	55	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-55.2	-40.2	172.9	-26.7	33.7	0	0	0	113.6	D65 R71	D65-P67 WeakPolarHBondContact OD1-CD 3.48Å; P67-R71 PolarHBondContact O-N 2.98Å; P67-R71 PolarHBondContact O-NH1 2.58Å
68	F	97.7	Very high	97.4	Very high	35 Å²	35	53.5 Å²	53.5	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-46.5	177.6	-172.4	-89.3	0	0	0	111.7	L35 L59 D65 E66 K70 R71 A72	L35-F68 HydrophobicContact CD1-CD1 4.11Å; L35-F68 HydrophobicContact CD1-CE1 3.62Å; L35-F68 HydrophobicContact CG-CE1 4.06Å; L59-F68 HydrophobicContact CB-CE1 4.25Å; L59-F68 HydrophobicContact CB-CZ 3.9Å; D65-F68 HydrophobicContact CB-CB 3.74Å; D65-F68 WeakPolarHBondContact O-CB 3.37Å; D65-F68 PolarHBondContact O-N 2.97Å; D65-F68 WeakPolarHBondContact OD1-CB 3.41Å; D65-F68 PolarHBondContact OD1-N 3.07Å; E66-F68 VanDerWaalsContact C-N 3.26Å; E66-F68 PolarHBondContact O-N 3.1Å; F68-K70 VanDerWaalsContact C-N 3.32Å; F68-K70 PolarHBondContact O-N 3.3Å; F68-R71 PolarHBondContact O-N 2.86Å; F68-R71 VanDerWaalsContact O-N 3.16Å; F68-A72 WeakPolarHBondContact O-CB 3.16Å; F68-A72 PolarHBondContact O-N 3.2Å
69	L	98.2	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-42.4	177.1	-71.7	-171.2	0	0	0	112.3	L35 I63 D65 E66 R71 A72 C73 L107 L108 A111	L35-L69 HydrophobicContact CD1-CD2 4.02Å; I63-L69 HydrophobicContact CB-CD2 4.42Å; I63-L69 HydrophobicContact CG2-CD2 4.36Å; I63-L69 VanDerWaalsContact O-CD1 3.24Å; I63-L69 WeakPolarHBondContact O-CD1 3.3Å; D65-L69 WeakPolarHBondContact O-CG 3.47Å; D65-L69 PolarHBondContact O-N 2.91Å; E66-L69 PolarHBondContact O-N 3.36Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.66Å; L69-A72 PolarHBondContact O-N 2.86Å; L69-A72 VanDerWaalsContact O-N 3.16Å; L69-C73 WeakPolarHBondContact O-CB 3.36Å; L69-C73 PolarHBondContact O-N 3.38Å; L69-C73 PolarHBondContact O-SG 3.41Å; L69-L107 HydrophobicContact CD1-CB 3.9Å; L69-L108 HydrophobicContact CD1-CB 4.16Å; L69-L108 HydrophobicContact CD1-CD1 4.1Å; L69-L108 HydrophobicContact CD2-CD1 3.72Å; L69-L108 HydrophobicContact CG-CD1 4.36Å; L69-A111 HydrophobicContact CB-CB 3.88Å
70	K	95.9	Very high	97.6	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-56.5	-44.5	175.7	-74.1	174.9	-175.2	173	0	111.7	E66 F68 Q74	E66-K70 WeakPolarHBondContact O-CG 3.16Å; E66-K70 PolarHBondContact O-N 2.97Å; F68-K70 VanDerWaalsContact C-N 3.32Å; F68-K70 PolarHBondContact O-N 3.3Å; K70-Q74 WeakPolarHBondContact O-CG 3Å
71	R	97.1	Very high	97.7	Very high	133 Å²	133	44.9 Å²	44.9	50%	0.502	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-42.5	175.9	-66.9	-171.5	-59.1	-85.6	2.6	111.9	P67 F68 L69 C73 Q74	P67-R71 PolarHBondContact O-N 2.98Å; P67-R71 PolarHBondContact O-NH1 2.58Å; F68-R71 PolarHBondContact O-N 2.86Å; F68-R71 VanDerWaalsContact O-N 3.16Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.66Å; R71-C73 VanDerWaalsContact C-N 3.26Å; R71-C73 PolarHBondContact O-N 2.83Å; R71-Q74 PolarHBondContact O-N 3.01Å
72	A	98	Very high	97.7	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-34.7	-179.3	0	0	0	0	0	112.6	L7 R33 L35 L59 F68 L69 V76	L7-A72 HydrophobicContact CD1-CB 4.38Å; L7-A72 HydrophobicContact CD2-CB 4Å; R33-A72 WeakPolarHBondContact CD-O 3.25Å; R33-A72 PolarHBondContact NH1-O 2.85Å; L35-A72 HydrophobicContact CD1-CB 3.98Å; L59-A72 HydrophobicContact CD1-CB 3.8Å; F68-A72 WeakPolarHBondContact O-CB 3.16Å; F68-A72 PolarHBondContact O-N 3.2Å; L69-A72 PolarHBondContact O-N 2.86Å; L69-A72 VanDerWaalsContact O-N 3.16Å; A72-V76 WeakPolarHBondContact O-CG2 3.48Å
73	C	98.4	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.8	-179.7	-69.8	0	0	0	0	115.2	L69 R71 D75 V76 A115 V117	L69-C73 WeakPolarHBondContact O-CB 3.36Å; L69-C73 PolarHBondContact O-N 3.38Å; L69-C73 PolarHBondContact O-SG 3.41Å; R71-C73 VanDerWaalsContact C-N 3.26Å; R71-C73 PolarHBondContact O-N 2.83Å; C73-D75 PolarHBondContact O-N 3.07Å; C73-V76 WeakPolarHBondContact O-CB 3.34Å; C73-V76 PolarHBondContact O-N 2.9Å; C73-A115 HydrophobicContact CB-CB 3.74Å; C73-A115 WeakPolarHBondContact O-CB 3.41Å; C73-V117 HydrophobicContact CB-CG2 4Å; C73-V117 WeakPolarHBondContact O-CG2 3.48Å
74	Q	97.1	Very high	97.7	Very high	107 Å²	107	45.1 Å²	45.1	50%	0.5	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132	-179.3	-78	172.4	-16.1	0	0	112.1	R33 K70 R71 V76	R33-Q74 PolarHBondContact NH1-O 2.94Å; R33-Q74 PolarHBondContact NH2-O 2.84Å; K70-Q74 WeakPolarHBondContact O-CG 3Å; R71-Q74 PolarHBondContact O-N 3.01Å; Q74-V76 PolarHBondContact O-N 3.46Å
75	D	96.1	Very high	97.5	Very high	139 Å²	139	44.3 Å²	44.3	74%	0.743	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	29.6	179.3	-50.4	-46.2	0	0	0	114	S5 C73	S5-D75 WeakPolarHBondContact CB-O 3.43Å; S5-D75 PolarHBondContact OG-O 2.97Å; C73-D75 PolarHBondContact O-N 3.07Å
76	V	97.6	Very high	97.2	Very high	6 Å²	6	45 Å²	45	4%	0.036	23%	0.227	C	C	.	.			trans	-100.4	132.4	174.9	173.5	0	0	0	0	109.4	L7 A72 C73 Q74 V78 V79 V117	L7-V76 HydrophobicContact CB-CG1 3.92Å; L7-V76 HydrophobicContact CB-CG2 4.22Å; A72-V76 WeakPolarHBondContact O-CG2 3.48Å; C73-V76 WeakPolarHBondContact O-CB 3.34Å; C73-V76 PolarHBondContact O-N 2.9Å; Q74-V76 PolarHBondContact O-N 3.46Å; V76-V78 WeakPolarHBondContact CG1-O 3.36Å; V76-V79 HydrophobicContact CG1-CG2 4.12Å; V76-V117 HydrophobicContact CB-CG2 4.2Å; V76-V117 HydrophobicContact CG1-CG1 4.35Å; V76-V117 WeakPolarHBondContact O-CG2 3.31Å
77	L	97.6	Very high	96.6	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.335	21%	0.211	S	C	.	.	S	Bend	trans	-88.4	-32.5	176.7	-172.1	70	0	0	0	111.8	W4 S5 P118 V119 Q241	W4-L77 HydrophobicContact CB-CB 3.99Å; W4-L77 HydrophobicContact CB-CD2 3.53Å; W4-L77 HydrophobicContact CB-CG 4.4Å; W4-L77 HydrophobicContact CD2-CD2 4.23Å; W4-L77 HydrophobicContact CE3-CB 4.37Å; W4-L77 HydrophobicContact CE3-CD2 4.35Å; W4-L77 HydrophobicContact CG-CD2 3.89Å; S5-L77 PolarHBondContact O-N 2.81Å; L77-P118 HydrophobicContact CD1-CG 3.52Å; L77-P118 HydrophobicContact CG-CG 4.26Å; L77-P118 VanDerWaalsContact O-CD 3.23Å; L77-P118 WeakPolarHBondContact O-CD 3.06Å; L77-P118 WeakPolarHBondContact O-CG 3.11Å; L77-V119 PolarHBondContact O-N 2.69Å; L77-Q241 VanDerWaalsContact CD2-NE2 3.35Å
78	V	98.4	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.6	-175.2	-171.9	0	0	0	0	111.1	W4 S5 C6 L7 V76 I80 V119 I121 L237	W4-V78 HydrophobicContact CE3-CG2 4.23Å; W4-V78 HydrophobicContact CZ3-CB 4.36Å; W4-V78 HydrophobicContact CZ3-CG2 4.02Å; S5-V78 PolarHBondContact O-N 3.39Å; C6-V78 CarbonylContact C-O 3.54Å; C6-V78 WeakPolarHBondContact CA-O 3.32Å; L7-V78 PolarHBondContact N-O 2.88Å; V76-V78 WeakPolarHBondContact CG1-O 3.36Å; V78-I80 HydrophobicContact CG1-CG1 4.3Å; V78-V119 WeakPolarHBondContact CA-O 3.22Å; V78-V119 HydrophobicContact CB-CB 4.34Å; V78-V119 HydrophobicContact CG1-CB 4.05Å; V78-V119 HydrophobicContact CG1-CG1 3.8Å; V78-V119 HydrophobicContact CG2-CB 4.04Å; V78-V119 HydrophobicContact CG2-CG1 4.39Å; V78-V119 HydrophobicContact CG2-CG2 4.49Å; V78-I121 HydrophobicContact CG1-CD1 4.27Å; V78-L237 HydrophobicContact CB-CD1 4.1Å; V78-L237 HydrophobicContact CG1-CD1 3.76Å; V78-L237 HydrophobicContact CG1-CG 4.19Å; V78-L237 HydrophobicContact CG2-CD1 4.1Å; V78-L237 HydrophobicContact CG2-CG 4.21Å
79	V	98.9	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	167.9	169	0	0	0	0	109.6	L7 V76 L108 V117 V119 F120 I121	L7-V79 HydrophobicContact CB-CG2 4.03Å; L7-V79 HydrophobicContact CD2-CG2 4.11Å; L7-V79 HydrophobicContact CG-CG2 4.45Å; L7-V79 CarbonylContact O-C 3.58Å; L7-V79 WeakPolarHBondContact O-CA 3.49Å; V76-V79 HydrophobicContact CG1-CG2 4.12Å; V79-L108 HydrophobicContact CG1-CD2 3.74Å; V79-L108 HydrophobicContact CG1-CG 4.19Å; V79-V117 HydrophobicContact CG2-CG1 3.93Å; V79-V119 PolarHBondContact N-O 2.87Å; V79-F120 HydrophobicContact CB-CD2 3.99Å; V79-F120 HydrophobicContact CB-CE2 4.45Å; V79-F120 HydrophobicContact CG1-CD2 3.76Å; V79-F120 HydrophobicContact CG1-CE2 3.73Å; V79-F120 WeakPolarHBondContact O-CA 3.48Å; V79-I121 PolarHBondContact O-N 3.21Å
80	I	98.9	Very high	93.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.5	168.5	-57.5	179.6	0	0	0	108.2	L7 V8 T9 I19 L23 V78 T82 I121 L237	L7-I80 PolarHBondContact O-N 2.9Å; V8-I80 WeakPolarHBondContact CA-O 3.17Å; V8-I80 HydrophobicContact CG2-CB 4.42Å; T9-I80 PolarHBondContact N-O 3.37Å; I19-I80 HydrophobicContact CD1-CG2 4.07Å; I19-I80 HydrophobicContact CG2-CD1 3.84Å; I19-I80 HydrophobicContact CG2-CG2 4.38Å; L23-I80 HydrophobicContact CD1-CD1 4.19Å; L23-I80 HydrophobicContact CD2-CD1 4.45Å; V78-I80 HydrophobicContact CG1-CG1 4.3Å; I80-T82 HydrophobicContact CG2-CG2 4.03Å; I80-I121 HydrophobicContact CG1-CB 4.41Å; I80-I121 HydrophobicContact CG1-CD1 4.37Å; I80-L237 HydrophobicContact CD1-CD1 4.18Å
81	H	98.9	Very high	92.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	101.5	-173.7	-176.9	37.1	0	0	0	112.2	T9 A83 T105 L108 F120 I121 Y122 T123	T9-H81 WeakPolarHBondContact OG1-CA 3.16Å; T9-H81 PolarHBondContact OG1-ND1 3.35Å; H81-A83 PolarHBondContact CE1-O 3.35Å; H81-T105 PolarHBondContact CD2-OG1 2.83Å; H81-T105 PolarHBondContact NE2-OG1 2.87Å; H81-L108 HydrophobicContact CB-CD2 3.96Å; H81-F120 HydrophobicContact CB-CE1 4Å; H81-F120 HydrophobicContact CB-CE2 4.33Å; H81-F120 HydrophobicContact CB-CZ 3.64Å; H81-F120 AromaticContact CD2-CZ 3.79Å; H81-F120 AromaticContact CG-CZ 3.98Å; H81-I121 PolarHBondContact N-O 3.02Å; H81-Y122 HydrophobicContact CB-CD2 4.31Å; H81-Y122 AromaticContact CD2-CD2 3.48Å; H81-Y122 VanDerWaalsContact CD2-CD2 3.48Å; H81-Y122 WeakPolarHBondContact CD2-CD2 3.18Å; H81-Y122 AromaticContact CD2-CE2 3.53Å; H81-Y122 AromaticContact NE2-CE2 3.99Å; H81-T123 PolarHBondContact O-N 2.83Å; H81-T123 PolarHBondContact O-OG1 2.95Å
82	T	98.4	Very high	92.1	Very high	15 Å²	15	34.2 Å²	34.2	9%	0.092	20%	0.196	C	C	.	.			trans	-112.8	-10.8	176.6	80.2	0	0	0	0	113.3	T9 G10 L15 I19 I80 C84 T123	T9-T82 CarbonylContact O-C 3.57Å; T9-T82 WeakPolarHBondContact O-CA 3.13Å; T9-T82 WeakPolarHBondContact O-CB 3.49Å; T9-T82 PolarHBondContact O-N 3.47Å; T9-T82 PolarHBondContact O-OG1 3.46Å; G10-T82 WeakPolarHBondContact CA-OG1 3.47Å; G10-T82 PolarHBondContact O-OG1 2.91Å; L15-T82 HydrophobicContact CD2-CG2 4.46Å; I19-T82 HydrophobicContact CD1-CG2 3.59Å; I80-T82 HydrophobicContact CG2-CG2 4.03Å; T82-C84 PolarHBondContact O-N 2.9Å; T82-T123 VanDerWaalsContact CG2-OG1 3.24Å; T82-T123 WeakPolarHBondContact CG2-OG1 3.49Å
83	A	97.6	Very high	91.6	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	22%	0.215	C	C	.	.			trans	-61.1	120.4	178.9	0	0	0	0	0	111.4	T9 I63 H81	T9-A83 PolarHBondContact O-N 2.97Å; I63-A83 HydrophobicContact CD1-CB 4.06Å; I63-A83 HydrophobicContact CG2-CB 4.23Å; H81-A83 PolarHBondContact CE1-O 3.35Å
84	C	96.2	Very high	91.3	Very high	41 Å²	41	43.4 Å²	43.4	28%	0.277	23%	0.233	S	C	.	.			trans	-160.3	159.1	171.1	61.9	0	0	0	0	110.8	T82 N101	T82-C84 PolarHBondContact O-N 2.9Å; C84-N101 VanDerWaalsContact CA-OD1 3.22Å; C84-N101 WeakPolarHBondContact CA-OD1 3.38Å; C84-N101 VanDerWaalsContact CB-OD1 3.25Å; C84-N101 WeakPolarHBondContact CB-OD1 3.4Å
85	I	94.7	Very high	91.1	Very high	47 Å²	47	43.1 Å²	43.1	24%	0.241	23%	0.232	C	C	.	.			trans	-87	123.4	161.4	-65.2	174.8	0	0	0	107.6	T92 I97 V100 N101 Y155	I85-T92 HydrophobicContact CG2-CG2 4.05Å; I85-I97 HydrophobicContact CB-CG1 4.41Å; I85-I97 HydrophobicContact CG2-CG1 3.85Å; I85-V100 HydrophobicContact CD1-CB 3.94Å; I85-V100 HydrophobicContact CD1-CG1 4.43Å; I85-V100 HydrophobicContact CD1-CG2 3.63Å; I85-V100 HydrophobicContact CG1-CB 4.1Å; I85-V100 HydrophobicContact CG1-CG1 4.09Å; I85-V100 HydrophobicContact CG1-CG2 4.2Å; I85-N101 PolarHBondContact N-OD1 2.94Å; I85-N101 PolarHBondContact O-ND2 3.35Å; I85-Y155 WeakPolarHBondContact O-CD2 3.48Å
86	I	90.4	Very high	91	Very high	84 Å²	84	39 Å²	39	43%	0.431	21%	0.214	S	C	.	.			trans	-106.5	121.1	169.7	-50.1	-179.8	0	0	0	107.4	Y155 F197	I86-Y155 HydrophobicContact CB-CD2 4.44Å; I86-Y155 HydrophobicContact CB-CE2 4.1Å; I86-Y155 HydrophobicContact CG1-CD2 4.47Å; I86-Y155 HydrophobicContact CG1-CE2 3.7Å; I86-Y155 HydrophobicContact CG2-CD1 4.44Å; I86-Y155 HydrophobicContact CG2-CD2 4.38Å; I86-Y155 HydrophobicContact CG2-CE1 4.21Å; I86-Y155 HydrophobicContact CG2-CE2 4.12Å; I86-F197 HydrophobicContact CG2-CE2 4.4Å; I86-F197 HydrophobicContact CG2-CZ 3.9Å
87	D	84.8	Confident	90.9	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	21%	0.212	C	C	.	.			trans	-137.5	106	175.1	-178.7	17.8	0	0	0	111	F89 G90 V91 T92 I97	D87-F89 WeakPolarHBondContact OD1-CA 3.23Å; D87-F89 PolarHBondContact OD1-N 3.03Å; D87-G90 PolarHBondContact OD1-N 3.11Å; D87-G90 VanDerWaalsContact OD2-C 3.31Å; D87-G90 WeakPolarHBondContact OD2-CA 3.49Å; D87-G90 PolarHBondContact OD2-N 3.39Å; D87-V91 PolarHBondContact OD2-N 3.42Å; D87-T92 WeakPolarHBondContact OD2-CA 3.18Å; D87-T92 WeakPolarHBondContact OD2-CB 3.33Å; D87-T92 PolarHBondContact OD2-N 3.32Å; D87-T92 PolarHBondContact OD2-OG1 3.13Å; D87-I97 HydrophobicContact CB-CD1 4.02Å
88	V	75.8	Confident	90.9	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.097	20%	0.204	C	C	.	.	S	Bend	trans	-97.1	-9.6	173.7	-58.3	0	0	0	0	112	F197 N316 R319	V88-F197 HydrophobicContact CG1-CE1 4.41Å; V88-F197 HydrophobicContact CG1-CZ 4.33Å; V88-F197 HydrophobicContact CG2-CD1 4.4Å; V88-F197 HydrophobicContact CG2-CE1 3.57Å; V88-F197 HydrophobicContact CG2-CZ 4.27Å; V88-N316 PolarHBondContact O-ND2 3.09Å; V88-R319 HydrophobicContact CB-CG 4.17Å; V88-R319 WeakPolarHBondContact O-CD 3.25Å; V88-R319 WeakPolarHBondContact O-CG 3.47Å
89	F	74.6	Confident	90.8	Very high	36 Å²	36	40.2 Å²	40.2	16%	0.158	22%	0.22	C	C	.	.	S	Bend	trans	-93.6	-17.9	-178	-60.5	-82.5	0	0	0	112.4	D87 V91 F197 P313 N316 R319	D87-F89 WeakPolarHBondContact OD1-CA 3.23Å; D87-F89 PolarHBondContact OD1-N 3.03Å; F89-V91 HydrophobicContact CB-CG1 4.14Å; F89-F197 HydrophobicContact CE2-CE1 4.37Å; F89-P313 WeakPolarHBondContact O-CG 3.43Å; F89-N316 PolarHBondContact O-ND2 2.79Å; F89-R319 VanDerWaalsContact CD1-NH1 3.34Å
90	G	75.1	Confident	90.8	Very high	41 Å²	41	41.4 Å²	41.4	42%	0.423	23%	0.227	S	C	.	.	S	Bend	trans	80	21.6	178.7	0	0	0	0	0	113.4	D87	D87-G90 PolarHBondContact OD1-N 3.11Å; D87-G90 VanDerWaalsContact OD2-C 3.31Å; D87-G90 WeakPolarHBondContact OD2-CA 3.49Å; D87-G90 PolarHBondContact OD2-N 3.39Å
91	V	80.5	Confident	90.7	Very high	46 Å²	46	41.4 Å²	41.4	28%	0.279	23%	0.227	S	C	.	.			trans	-83.5	-27.1	-179.1	-64.7	0	0	0	0	112.5	D87 F89 R312	D87-V91 PolarHBondContact OD2-N 3.42Å; F89-V91 HydrophobicContact CB-CG1 4.14Å; V91-R312 HydrophobicContact CG1-CB 3.83Å; V91-R312 HydrophobicContact CG1-CG 3.7Å
92	T	86.3	Confident	90.7	Very high	45 Å²	45	42 Å²	42	28%	0.276	23%	0.231	S	C	.	.	S	Bend	trans	-87.2	143.6	-175.4	-50.6	0	0	0	0	110.6	I85 D87 R94 I97	I85-T92 HydrophobicContact CG2-CG2 4.05Å; D87-T92 WeakPolarHBondContact OD2-CA 3.18Å; D87-T92 WeakPolarHBondContact OD2-CB 3.33Å; D87-T92 PolarHBondContact OD2-N 3.32Å; D87-T92 PolarHBondContact OD2-OG1 3.13Å; T92-R94 PolarHBondContact O-N 3.27Å; T92-I97 HydrophobicContact CG2-CD1 4.39Å; T92-I97 HydrophobicContact CG2-CG1 3.94Å
93	H	87.8	Confident	90.7	Very high	96 Å²	96	45.1 Å²	45.1	44%	0.444	24%	0.243	S	C	.	.			trans	-66.7	134.8	177.6	-167	-99.4	0	0	0	111.2	Q95 S96 I97	H93-Q95 WeakPolarHBondContact ND1-CB 3.12Å; H93-Q95 PolarHBondContact ND1-N 3.26Å; H93-Q95 VanDerWaalsContact ND1-N 3.15Å; H93-Q95 PolarHBondContact O-N 3.4Å; H93-S96 WeakPolarHBondContact O-CB 3.46Å; H93-S96 PolarHBondContact O-N 3.12Å; H93-I97 PolarHBondContact O-N 3.33Å; H93-I97 VanDerWaalsContact O-N 3.15Å
94	R	90.8	Very high	90.8	Very high	101 Å²	101	44.4 Å²	44.4	38%	0.381	24%	0.238	S	C	.	.	H	α-helix	trans	-51.6	-44.7	178.9	177.2	176.1	179.8	99.1	1.1	110.7	T92 S96 I97 M98 P154 Y157	T92-R94 PolarHBondContact O-N 3.27Å; R94-S96 VanDerWaalsContact C-N 3.3Å; R94-S96 PolarHBondContact O-N 2.95Å; R94-I97 PolarHBondContact O-N 3.17Å; R94-M98 HydrophobicContact CG-CG 4.17Å; R94-M98 VanDerWaalsContact O-CG 3.27Å; R94-M98 WeakPolarHBondContact O-CG 3.23Å; R94-M98 PolarHBondContact O-N 2.95Å; R94-P154 HydrophobicContact CB-CB 4.35Å; R94-P154 HydrophobicContact CB-CG 4.1Å; R94-P154 HydrophobicContact CG-CB 4.06Å; R94-P154 HydrophobicContact CG-CG 4.08Å; R94-Y157 VanDerWaalsContact NH2-CE1 3.29Å
95	Q	93.2	Very high	90.9	Very high	101 Å²	101	42.5 Å²	42.5	47%	0.472	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-36.4	178.8	-164.9	61.1	38.6	0	0	112.8	H93 M98 N99	H93-Q95 WeakPolarHBondContact ND1-CB 3.12Å; H93-Q95 PolarHBondContact ND1-N 3.26Å; H93-Q95 VanDerWaalsContact ND1-N 3.15Å; H93-Q95 PolarHBondContact O-N 3.4Å; Q95-M98 PolarHBondContact O-N 2.87Å; Q95-N99 PolarHBondContact NE2-OD1 3.26Å; Q95-N99 VanDerWaalsContact O-CB 3.26Å; Q95-N99 WeakPolarHBondContact O-CB 3.38Å; Q95-N99 PolarHBondContact O-N 3.3Å; Q95-N99 PolarHBondContact O-OD1 3.04Å
96	S	94.6	Very high	91.1	Very high	51 Å²	51	43.7 Å²	43.7	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-43.2	177.2	-53.9	0	0	0	0	111	H93 R94 N99 V100	H93-S96 WeakPolarHBondContact O-CB 3.46Å; H93-S96 PolarHBondContact O-N 3.12Å; R94-S96 VanDerWaalsContact C-N 3.3Å; R94-S96 PolarHBondContact O-N 2.95Å; S96-N99 PolarHBondContact O-N 3.48Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 3.47Å
97	I	95.5	Very high	91.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-47.2	174.9	-62.2	169.1	0	0	0	110.1	I85 D87 T92 H93 R94 N101 P154 S158	I85-I97 HydrophobicContact CB-CG1 4.41Å; I85-I97 HydrophobicContact CG2-CG1 3.85Å; D87-I97 HydrophobicContact CB-CD1 4.02Å; T92-I97 HydrophobicContact CG2-CD1 4.39Å; T92-I97 HydrophobicContact CG2-CG1 3.94Å; H93-I97 PolarHBondContact O-N 3.33Å; H93-I97 VanDerWaalsContact O-N 3.15Å; R94-I97 PolarHBondContact O-N 3.17Å; I97-N101 WeakPolarHBondContact O-CB 3.32Å; I97-N101 PolarHBondContact O-N 3.4Å; I97-P154 HydrophobicContact CB-CB 4.4Å; I97-P154 HydrophobicContact CD1-CB 3.66Å; I97-P154 HydrophobicContact CD1-CG 4.38Å; I97-P154 HydrophobicContact CG2-CB 4.29Å; I97-S158 WeakPolarHBondContact CG2-OG 3.43Å
98	M	97	Very high	92.2	Very high	31 Å²	31	39.4 Å²	39.4	15%	0.153	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-44	178.3	-68.3	-54.1	-61.6	0	0	112.4	R94 Q95 V102 K103 Y157 L161	R94-M98 HydrophobicContact CG-CG 4.17Å; R94-M98 VanDerWaalsContact O-CG 3.27Å; R94-M98 WeakPolarHBondContact O-CG 3.23Å; R94-M98 PolarHBondContact O-N 2.95Å; Q95-M98 PolarHBondContact O-N 2.87Å; M98-V102 HydrophobicContact CE-CB 4.45Å; M98-V102 HydrophobicContact CE-CG2 3.64Å; M98-V102 WeakPolarHBondContact O-CA 3.27Å; M98-V102 VanDerWaalsContact O-CB 3.22Å; M98-V102 WeakPolarHBondContact O-CB 3.39Å; M98-V102 PolarHBondContact O-N 3.46Å; M98-V102 HydrophobicContact SD-CG2 4.35Å; M98-K103 PolarHBondContact O-N 2.98Å; M98-Y157 HydrophobicContact CE-CD1 4.14Å; M98-Y157 HydrophobicContact CE-CE1 4.05Å; M98-Y157 HydrophobicContact SD-CD1 3.89Å; M98-Y157 HydrophobicContact SD-CE1 4.33Å; M98-L161 HydrophobicContact CE-CD1 3.58Å
99	N	97.4	Very high	93.2	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.342	20%	0.203	S	C	.	.	I	π-helix	trans	-61.3	-53.5	178.7	-74.9	-4.5	0	0	0	110.4	L64 Q95 S96 K103 G104	L64-N99 HydrophobicContact CD1-CB 4.44Å; L64-N99 WeakPolarHBondContact CD2-O 3.38Å; Q95-N99 PolarHBondContact NE2-OD1 3.26Å; Q95-N99 VanDerWaalsContact O-CB 3.26Å; Q95-N99 WeakPolarHBondContact O-CB 3.38Å; Q95-N99 PolarHBondContact O-N 3.3Å; Q95-N99 PolarHBondContact O-OD1 3.04Å; S96-N99 PolarHBondContact O-N 3.48Å; N99-K103 CarbonylContact O-C 3.55Å; N99-K103 WeakPolarHBondContact O-CA 3.28Å; N99-K103 VanDerWaalsContact O-CB 3.28Å; N99-K103 WeakPolarHBondContact O-CB 3.42Å; N99-K103 PolarHBondContact O-N 3.48Å; N99-K103 VanDerWaalsContact O-N 3.12Å; N99-G104 PolarHBondContact O-N 2.92Å
100	V	97.7	Very high	94.4	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.152	22%	0.215	C	C	.	.	I	π-helix	trans	-68.5	-51.9	-177.2	176.5	0	0	0	0	111.1	I63 L64 I85 S96 G104	I63-V100 HydrophobicContact CD1-CG1 3.9Å; I63-V100 HydrophobicContact CG1-CG1 4.4Å; L64-V100 HydrophobicContact CD1-CG2 4.24Å; I85-V100 HydrophobicContact CD1-CB 3.94Å; I85-V100 HydrophobicContact CD1-CG1 4.43Å; I85-V100 HydrophobicContact CD1-CG2 3.63Å; I85-V100 HydrophobicContact CG1-CB 4.1Å; I85-V100 HydrophobicContact CG1-CG1 4.09Å; I85-V100 HydrophobicContact CG1-CG2 4.2Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 3.47Å; V100-G104 WeakPolarHBondContact O-CA 3.35Å; V100-G104 PolarHBondContact O-N 3.29Å
101	N	98.3	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-78.1	-26.7	-169.8	-63.8	1.3	0	0	0	113.4	C84 I85 I97 T105 S158 A162	C84-N101 VanDerWaalsContact CA-OD1 3.22Å; C84-N101 WeakPolarHBondContact CA-OD1 3.38Å; C84-N101 VanDerWaalsContact CB-OD1 3.25Å; C84-N101 WeakPolarHBondContact CB-OD1 3.4Å; I85-N101 PolarHBondContact N-OD1 2.94Å; I85-N101 PolarHBondContact O-ND2 3.35Å; I97-N101 WeakPolarHBondContact O-CB 3.32Å; I97-N101 PolarHBondContact O-N 3.4Å; N101-T105 PolarHBondContact O-OG1 2.99Å; N101-S158 WeakPolarHBondContact CB-OG 3.45Å; N101-S158 PolarHBondContact ND2-OG 3.44Å; N101-A162 WeakPolarHBondContact O-CB 3.24Å
102	V	98.4	Very high	96.4	Very high	15 Å²	15	37.2 Å²	37.2	9%	0.091	18%	0.183	C	C	.	.	I	π-helix	trans	-106.2	-61.2	-179.5	-171.3	0	0	0	0	110.7	M98 G104 T105 Q106 S158 L161	M98-V102 HydrophobicContact CE-CB 4.45Å; M98-V102 HydrophobicContact CE-CG2 3.64Å; M98-V102 WeakPolarHBondContact O-CA 3.27Å; M98-V102 VanDerWaalsContact O-CB 3.22Å; M98-V102 WeakPolarHBondContact O-CB 3.39Å; M98-V102 PolarHBondContact O-N 3.46Å; M98-V102 HydrophobicContact SD-CG2 4.35Å; V102-G104 PolarHBondContact O-N 3.35Å; V102-T105 PolarHBondContact O-N 3.46Å; V102-Q106 WeakPolarHBondContact O-CG 3.21Å; V102-Q106 PolarHBondContact O-N 2.77Å; V102-S158 WeakPolarHBondContact CG2-O 3.4Å; V102-L161 HydrophobicContact CG1-CB 4.23Å; V102-L161 HydrophobicContact CG2-CB 4.02Å
103	K	98.6	Very high	96.9	Very high	79 Å²	79	36.2 Å²	36.2	34%	0.343	18%	0.176	S	C	.	.	I	π-helix	trans	-64.6	-42.7	-177.8	178.9	59.4	176.6	168.2	0	110.9	M98 N99 T105 Q106 L107	M98-K103 PolarHBondContact O-N 2.98Å; N99-K103 CarbonylContact O-C 3.55Å; N99-K103 WeakPolarHBondContact O-CA 3.28Å; N99-K103 VanDerWaalsContact O-CB 3.28Å; N99-K103 WeakPolarHBondContact O-CB 3.42Å; N99-K103 PolarHBondContact O-N 3.48Å; N99-K103 VanDerWaalsContact O-N 3.12Å; K103-T105 VanDerWaalsContact C-N 3.34Å; K103-T105 PolarHBondContact O-N 2.97Å; K103-Q106 PolarHBondContact O-N 3.44Å; K103-Q106 VanDerWaalsContact O-N 3.17Å; K103-L107 HydrophobicContact CD-CD1 4.4Å; K103-L107 HydrophobicContact CD-CD2 4.31Å; K103-L107 HydrophobicContact CD-CG 4.05Å; K103-L107 HydrophobicContact CG-CD1 4.17Å; K103-L107 HydrophobicContact CG-CG 4.29Å; K103-L107 VanDerWaalsContact NZ-CD2 3.28Å; K103-L107 VanDerWaalsContact O-CG 3.27Å; K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.05Å
104	G	98.6	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-58.7	-41.6	174.9	0	0	0	0	0	113.1	N99 V100 V102 L107 L108	N99-G104 PolarHBondContact O-N 2.92Å; V100-G104 WeakPolarHBondContact O-CA 3.35Å; V100-G104 PolarHBondContact O-N 3.29Å; V102-G104 PolarHBondContact O-N 3.35Å; G104-L107 PolarHBondContact O-N 3.31Å; G104-L108 WeakPolarHBondContact O-CB 3.14Å; G104-L108 PolarHBondContact O-N 3.41Å
105	T	98.8	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-43.9	173.6	-59.4	0	0	0	0	112.1	H81 N101 V102 K103 L108 L109 F120 Y122 A162 V166	H81-T105 PolarHBondContact CD2-OG1 2.83Å; H81-T105 PolarHBondContact NE2-OG1 2.87Å; N101-T105 PolarHBondContact O-OG1 2.99Å; V102-T105 PolarHBondContact O-N 3.46Å; K103-T105 VanDerWaalsContact C-N 3.34Å; K103-T105 PolarHBondContact O-N 2.97Å; T105-L108 PolarHBondContact O-N 2.97Å; T105-L109 HydrophobicContact CG2-CD1 4.37Å; T105-L109 WeakPolarHBondContact O-CG 3.42Å; T105-L109 PolarHBondContact O-N 3.32Å; T105-F120 HydrophobicContact CG2-CZ 4.42Å; T105-Y122 HydrophobicContact CG2-CD2 4.37Å; T105-Y122 HydrophobicContact CG2-CE2 4.09Å; T105-A162 HydrophobicContact CG2-CB 4.3Å; T105-V166 HydrophobicContact CG2-CG2 3.61Å
106	Q	98.8	Very high	98	Very high	73 Å²	73	28.8 Å²	28.8	34%	0.341	15%	0.154	S	C	.	.	H	α-helix	trans	-61.9	-44.5	177.1	-71.7	170.5	-23	0	0	112	V102 K103 L108 L109 E110 A165	V102-Q106 WeakPolarHBondContact O-CG 3.21Å; V102-Q106 PolarHBondContact O-N 2.77Å; K103-Q106 PolarHBondContact O-N 3.44Å; K103-Q106 VanDerWaalsContact O-N 3.17Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.44Å; Q106-L109 WeakPolarHBondContact O-CB 3.28Å; Q106-L109 PolarHBondContact O-N 3.28Å; Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 3.16Å; Q106-A165 HydrophobicContact CG-CB 4.29Å
107	L	98.8	Very high	98.2	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-38.2	176.1	-69.1	178.2	0	0	0	112	E66 L69 K103 G104 E110 A111	E66-L107 HydrophobicContact CG-CD1 3.91Å; E66-L107 HydrophobicContact CG-CD2 3.62Å; E66-L107 HydrophobicContact CG-CG 4.26Å; E66-L107 WeakPolarHBondContact OE1-CD2 3.49Å; L69-L107 HydrophobicContact CD1-CB 3.9Å; K103-L107 HydrophobicContact CD-CD1 4.4Å; K103-L107 HydrophobicContact CD-CD2 4.31Å; K103-L107 HydrophobicContact CD-CG 4.05Å; K103-L107 HydrophobicContact CG-CD1 4.17Å; K103-L107 HydrophobicContact CG-CG 4.29Å; K103-L107 VanDerWaalsContact NZ-CD2 3.28Å; K103-L107 VanDerWaalsContact O-CG 3.27Å; K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.05Å; G104-L107 PolarHBondContact O-N 3.31Å; L107-E110 PolarHBondContact O-N 3.36Å; L107-A111 WeakPolarHBondContact O-CB 3.49Å; L107-A111 PolarHBondContact O-N 3.03Å
108	L	98.8	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.5	-39	176.5	-167.4	66.2	0	0	0	112.1	L7 T9 L69 V79 H81 G104 T105 Q106 A111 C112 F120	L7-L108 HydrophobicContact CD2-CD1 4.41Å; T9-L108 HydrophobicContact CG2-CD1 4.36Å; T9-L108 HydrophobicContact CG2-CD2 3.85Å; L69-L108 HydrophobicContact CD1-CB 4.16Å; L69-L108 HydrophobicContact CD1-CD1 4.1Å; L69-L108 HydrophobicContact CD2-CD1 3.72Å; L69-L108 HydrophobicContact CG-CD1 4.36Å; V79-L108 HydrophobicContact CG1-CD2 3.74Å; V79-L108 HydrophobicContact CG1-CG 4.19Å; H81-L108 HydrophobicContact CB-CD2 3.96Å; G104-L108 WeakPolarHBondContact O-CB 3.14Å; G104-L108 PolarHBondContact O-N 3.41Å; T105-L108 PolarHBondContact O-N 2.97Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.44Å; L108-A111 PolarHBondContact O-N 3.34Å; L108-C112 PolarHBondContact O-N 2.97Å; L108-C112 PolarHBondContact O-SG 3.11Å; L108-F120 HydrophobicContact CB-CE2 4.25Å; L108-F120 HydrophobicContact CD2-CE2 3.73Å; L108-F120 HydrophobicContact CD2-CZ 4.04Å; L108-F120 HydrophobicContact CG-CE2 3.79Å; L108-F120 HydrophobicContact CG-CZ 4.44Å
109	L	98.8	Very high	98.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-45.9	172.4	-72.2	167.7	0	0	0	111.2	T105 Q106 A111 C112 V113 F120 V166 A169 W172 L180	T105-L109 HydrophobicContact CG2-CD1 4.37Å; T105-L109 WeakPolarHBondContact O-CG 3.42Å; T105-L109 PolarHBondContact O-N 3.32Å; Q106-L109 WeakPolarHBondContact O-CB 3.28Å; Q106-L109 PolarHBondContact O-N 3.28Å; L109-A111 PolarHBondContact O-N 3.39Å; L109-C112 WeakPolarHBondContact O-CB 3.38Å; L109-C112 PolarHBondContact O-N 3.21Å; L109-V113 PolarHBondContact O-N 2.69Å; L109-V113 VanDerWaalsContact O-N 3.07Å; L109-F120 HydrophobicContact CD2-CB 4.49Å; L109-F120 HydrophobicContact CD2-CD1 3.88Å; L109-F120 HydrophobicContact CD2-CD2 3.87Å; L109-F120 HydrophobicContact CD2-CE1 3.96Å; L109-F120 HydrophobicContact CD2-CE2 3.92Å; L109-F120 HydrophobicContact CD2-CG 3.82Å; L109-F120 HydrophobicContact CD2-CZ 3.98Å; L109-F120 HydrophobicContact CG-CE2 4.28Å; L109-F120 HydrophobicContact CG-CZ 4.21Å; L109-V166 HydrophobicContact CD1-CG2 4.02Å; L109-V166 HydrophobicContact CD2-CG2 4.42Å; L109-A169 HydrophobicContact CD1-CB 4.11Å; L109-A169 HydrophobicContact CD2-CB 3.97Å; L109-W172 HydrophobicContact CB-CZ3 4.19Å; L109-L180 HydrophobicContact CD2-CD2 4.33Å
110	E	98.5	Very high	98.5	Very high	88 Å²	88	23.5 Å²	23.5	41%	0.411	12%	0.124	S	C	.	.	H	α-helix	trans	-60.3	-44.8	174.9	-71.1	170	-157.3	0	0	111.2	Q106 L107 C112 V113 Q114	Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 3.16Å; L107-E110 PolarHBondContact O-N 3.36Å; E110-C112 VanDerWaalsContact C-N 3.29Å; E110-C112 PolarHBondContact O-N 3.36Å; E110-V113 PolarHBondContact O-N 2.78Å; E110-Q114 WeakPolarHBondContact O-CB 3.22Å; E110-Q114 WeakPolarHBondContact O-CG 3.44Å; E110-Q114 PolarHBondContact O-N 3.48Å
111	A	98.6	Very high	98.5	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-37.8	176	0	0	0	0	0	112.3	L69 L107 L108 L109 Q114 A115	L69-A111 HydrophobicContact CB-CB 3.88Å; L107-A111 WeakPolarHBondContact O-CB 3.49Å; L107-A111 PolarHBondContact O-N 3.03Å; L108-A111 PolarHBondContact O-N 3.34Å; L109-A111 PolarHBondContact O-N 3.39Å; A111-Q114 PolarHBondContact O-N 2.97Å; A111-A115 VanDerWaalsContact O-CB 3.32Å; A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 2.79Å
112	C	98.6	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-48.7	174.6	-69.1	0	0	0	0	111.7	L108 L109 E110 Q114 A115 S116 V117 L180	L108-C112 PolarHBondContact O-N 2.97Å; L108-C112 PolarHBondContact O-SG 3.11Å; L109-C112 WeakPolarHBondContact O-CB 3.38Å; L109-C112 PolarHBondContact O-N 3.21Å; E110-C112 VanDerWaalsContact C-N 3.29Å; E110-C112 PolarHBondContact O-N 3.36Å; C112-Q114 VanDerWaalsContact C-N 3.32Å; C112-Q114 PolarHBondContact O-N 2.82Å; C112-A115 CarbonylContact O-C 3.6Å; C112-A115 PolarHBondContact O-N 2.83Å; C112-S116 PolarHBondContact O-N 2.9Å; C112-V117 HydrophobicContact CB-CB 3.86Å; C112-V117 HydrophobicContact CB-CG2 4.31Å; C112-V117 PolarHBondContact O-N 3.32Å; C112-L180 HydrophobicContact CB-CD1 4.48Å
113	V	98.3	Very high	98.6	Very high	23 Å²	23	22.3 Å²	22.3	14%	0.139	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-45	176.2	174	0	0	0	0	111.2	L109 E110 A115 S116 W172 K175 L180	L109-V113 PolarHBondContact O-N 2.69Å; L109-V113 VanDerWaalsContact O-N 3.07Å; E110-V113 PolarHBondContact O-N 2.78Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 3.28Å; V113-S116 PolarHBondContact O-N 2.65Å; V113-W172 HydrophobicContact CG2-CB 4.37Å; V113-W172 HydrophobicContact CG2-CE3 3.65Å; V113-W172 HydrophobicContact CG2-CZ3 4.38Å; V113-K175 PolarHBondContact O-N 2.99Å; V113-L180 HydrophobicContact CG2-CD2 4.28Å
114	Q	97.5	Very high	98.5	Very high	89 Å²	89	18.6 Å²	18.6	42%	0.416	10%	0.101	S	C	.	.	H	α-helix	trans	-68.4	-26.5	-177	-66.1	-69.3	-46.3	0	0	113.5	E110 A111 C112 K175	E110-Q114 WeakPolarHBondContact O-CB 3.22Å; E110-Q114 WeakPolarHBondContact O-CG 3.44Å; E110-Q114 PolarHBondContact O-N 3.48Å; A111-Q114 PolarHBondContact O-N 2.97Å; C112-Q114 VanDerWaalsContact C-N 3.32Å; C112-Q114 PolarHBondContact O-N 2.82Å; Q114-K175 VanDerWaalsContact CD-CE 3.48Å; Q114-K175 WeakPolarHBondContact O-CD 3.43Å; Q114-K175 PolarHBondContact O-NZ 2.85Å
115	A	98.1	Very high	98.3	Very high	26 Å²	26	19.1 Å²	19.1	22%	0.215	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.1	177.9	0	0	0	0	0	113.2	C73 A111 C112 V113 V117	C73-A115 HydrophobicContact CB-CB 3.74Å; C73-A115 WeakPolarHBondContact O-CB 3.41Å; A111-A115 VanDerWaalsContact O-CB 3.32Å; A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 2.79Å; C112-A115 CarbonylContact O-C 3.6Å; C112-A115 PolarHBondContact O-N 2.83Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 3.28Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-V117 HydrophobicContact CB-CG2 4.22Å; A115-V117 PolarHBondContact O-N 2.94Å
116	S	98.4	Very high	97.9	Very high	27 Å²	27	19.6 Å²	19.6	19%	0.189	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	40.6	-176.5	-55.7	0	0	0	0	114.3	C112 V113 P118 D176	C112-S116 PolarHBondContact O-N 2.9Å; V113-S116 PolarHBondContact O-N 2.65Å; S116-P118 VanDerWaalsContact O-CD 3.25Å; S116-P118 WeakPolarHBondContact O-CD 3.25Å; S116-D176 WeakPolarHBondContact CB-OD2 3.34Å; S116-D176 PolarHBondContact OG-N 3.2Å
117	V	98.5	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.			trans	-75.6	117.7	171.9	-178	0	0	0	0	108.6	C73 V76 V79 C112 A115 L174 L180	C73-V117 HydrophobicContact CB-CG2 4Å; C73-V117 WeakPolarHBondContact O-CG2 3.48Å; V76-V117 HydrophobicContact CB-CG2 4.2Å; V76-V117 HydrophobicContact CG1-CG1 4.35Å; V76-V117 WeakPolarHBondContact O-CG2 3.31Å; V79-V117 HydrophobicContact CG2-CG1 3.93Å; C112-V117 HydrophobicContact CB-CB 3.86Å; C112-V117 HydrophobicContact CB-CG2 4.31Å; C112-V117 PolarHBondContact O-N 3.32Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-V117 HydrophobicContact CB-CG2 4.22Å; A115-V117 PolarHBondContact O-N 2.94Å; V117-L174 WeakPolarHBondContact O-CD2 3.48Å; V117-L180 VanDerWaalsContact O-CD1 3.26Å; V117-L180 WeakPolarHBondContact O-CD1 3.33Å
118	P	98.1	Very high	96.9	Very high	32 Å²	32	16.8 Å²	16.8	21%	0.208	9%	0.093	C	C	.	.			trans	-82.7	-17.2	-173.9	31.1	-36.4	0	0	0	115.1	L77 S116 L174 Y181	L77-P118 HydrophobicContact CD1-CG 3.52Å; L77-P118 HydrophobicContact CG-CG 4.26Å; L77-P118 VanDerWaalsContact O-CD 3.23Å; L77-P118 WeakPolarHBondContact O-CD 3.06Å; L77-P118 WeakPolarHBondContact O-CG 3.11Å; S116-P118 VanDerWaalsContact O-CD 3.25Å; S116-P118 WeakPolarHBondContact O-CD 3.25Å; P118-L174 HydrophobicContact CB-CD1 4.03Å; P118-Y181 PolarHBondContact O-N 2.78Å
119	V	98.6	Very high	96.2	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.03	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.1	-175.1	-177.6	0	0	0	0	111.7	L77 V78 V79 I121 Y181 L240	L77-V119 PolarHBondContact O-N 2.69Å; V78-V119 WeakPolarHBondContact CA-O 3.22Å; V78-V119 HydrophobicContact CB-CB 4.34Å; V78-V119 HydrophobicContact CG1-CB 4.05Å; V78-V119 HydrophobicContact CG1-CG1 3.8Å; V78-V119 HydrophobicContact CG2-CB 4.04Å; V78-V119 HydrophobicContact CG2-CG1 4.39Å; V78-V119 HydrophobicContact CG2-CG2 4.49Å; V79-V119 PolarHBondContact N-O 2.87Å; V119-I121 HydrophobicContact CG1-CD1 4.42Å; V119-I121 HydrophobicContact CG1-CG1 4.19Å; V119-Y181 WeakPolarHBondContact CA-O 3.49Å; V119-L240 HydrophobicContact CG1-CB 3.82Å; V119-L240 HydrophobicContact CG1-CD1 3.62Å; V119-L240 HydrophobicContact CG1-CG 4.38Å; V119-L240 HydrophobicContact CG2-CB 4.34Å
120	F	98.9	Very high	94.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.2	176.3	-169.9	-80.6	0	0	0	111.7	V79 H81 T105 L108 L109 Y122 V166 L180 Y181 T182 C183	V79-F120 HydrophobicContact CB-CD2 3.99Å; V79-F120 HydrophobicContact CB-CE2 4.45Å; V79-F120 HydrophobicContact CG1-CD2 3.76Å; V79-F120 HydrophobicContact CG1-CE2 3.73Å; V79-F120 WeakPolarHBondContact O-CA 3.48Å; H81-F120 HydrophobicContact CB-CE1 4Å; H81-F120 HydrophobicContact CB-CE2 4.33Å; H81-F120 HydrophobicContact CB-CZ 3.64Å; H81-F120 AromaticContact CD2-CZ 3.79Å; H81-F120 AromaticContact CG-CZ 3.98Å; T105-F120 HydrophobicContact CG2-CZ 4.42Å; L108-F120 HydrophobicContact CB-CE2 4.25Å; L108-F120 HydrophobicContact CD2-CE2 3.73Å; L108-F120 HydrophobicContact CD2-CZ 4.04Å; L108-F120 HydrophobicContact CG-CE2 3.79Å; L108-F120 HydrophobicContact CG-CZ 4.44Å; L109-F120 HydrophobicContact CD2-CB 4.49Å; L109-F120 HydrophobicContact CD2-CD1 3.88Å; L109-F120 HydrophobicContact CD2-CD2 3.87Å; L109-F120 HydrophobicContact CD2-CE1 3.96Å; L109-F120 HydrophobicContact CD2-CE2 3.92Å; L109-F120 HydrophobicContact CD2-CG 3.82Å; L109-F120 HydrophobicContact CD2-CZ 3.98Å; L109-F120 HydrophobicContact CG-CE2 4.28Å; L109-F120 HydrophobicContact CG-CZ 4.21Å; F120-Y122 HydrophobicContact CE1-CD2 4.39Å; F120-V166 HydrophobicContact CD1-CG1 3.96Å; F120-V166 HydrophobicContact CD1-CG2 4.32Å; F120-V166 HydrophobicContact CE1-CG1 4.18Å; F120-V166 HydrophobicContact CE1-CG2 3.73Å; F120-L180 HydrophobicContact CB-CD1 4.13Å; F120-Y181 PolarHBondContact N-O 3.43Å; F120-T182 HydrophobicContact CB-CG2 4.27Å; F120-T182 CarbonylContact O-C 3.58Å; F120-T182 VanDerWaalsContact O-CA 3.25Å; F120-T182 WeakPolarHBondContact O-CA 3.25Å; F120-C183 PolarHBondContact O-N 2.98Å
121	I	98.9	Very high	92.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.1	179.3	-57.9	170	0	0	0	108.7	V78 V79 I80 H81 V119 C183 L185 A236 L237 L240	V78-I121 HydrophobicContact CG1-CD1 4.27Å; V79-I121 PolarHBondContact O-N 3.21Å; I80-I121 HydrophobicContact CG1-CB 4.41Å; I80-I121 HydrophobicContact CG1-CD1 4.37Å; H81-I121 PolarHBondContact N-O 3.02Å; V119-I121 HydrophobicContact CG1-CD1 4.42Å; V119-I121 HydrophobicContact CG1-CG1 4.19Å; I121-C183 WeakPolarHBondContact CA-O 3.47Å; I121-L185 HydrophobicContact CG2-CD1 4.27Å; I121-L185 HydrophobicContact CG2-CG 4.4Å; I121-A236 HydrophobicContact CD1-CB 4.12Å; I121-A236 HydrophobicContact CG2-CB 4.38Å; I121-L237 HydrophobicContact CD1-CB 3.7Å; I121-L240 HydrophobicContact CD1-CD1 4.39Å; I121-L240 HydrophobicContact CG1-CD1 3.93Å
122	Y	98.9	Very high	90.7	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.9	-178.4	-176.5	-119.8	0	0	0	111.6	H81 T105 F120 S124 K159 A162 E163 V166 C183 A184 L185	H81-Y122 HydrophobicContact CB-CD2 4.31Å; H81-Y122 AromaticContact CD2-CD2 3.48Å; H81-Y122 VanDerWaalsContact CD2-CD2 3.48Å; H81-Y122 WeakPolarHBondContact CD2-CD2 3.18Å; H81-Y122 AromaticContact CD2-CE2 3.53Å; H81-Y122 AromaticContact NE2-CE2 3.99Å; T105-Y122 HydrophobicContact CG2-CD2 4.37Å; T105-Y122 HydrophobicContact CG2-CE2 4.09Å; F120-Y122 HydrophobicContact CE1-CD2 4.39Å; Y122-S124 PolarHBondContact O-N 2.89Å; Y122-K159 VanDerWaalsContact OH-CE 3.22Å; Y122-K159 WeakPolarHBondContact OH-CE 3.37Å; Y122-K159 PolarHBondContact OH-NZ 2.79Å; Y122-A162 HydrophobicContact CE1-CB 4.34Å; Y122-A162 HydrophobicContact CE2-CB 4.46Å; Y122-A162 WeakPolarHBondContact OH-CB 3.07Å; Y122-E163 HydrophobicContact CD1-CB 4.31Å; Y122-E163 HydrophobicContact CE1-CB 4.04Å; Y122-V166 HydrophobicContact CD1-CG2 4.34Å; Y122-V166 HydrophobicContact CD2-CG2 4.19Å; Y122-V166 HydrophobicContact CG-CG2 3.95Å; Y122-C183 PolarHBondContact N-O 2.76Å; Y122-A184 HydrophobicContact CD1-CB 4.32Å; Y122-A184 CarbonylContact O-C 3.59Å; Y122-A184 WeakPolarHBondContact O-CA 3.46Å; Y122-L185 PolarHBondContact O-N 2.79Å
123	T	98.7	Very high	88.7	Confident	13 Å²	13	15.7 Å²	15.7	8%	0.08	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	105	163.8	-48.3	0	0	0	0	108.3	L15 H81 T82 K159 L185 P187 H233	L15-T123 HydrophobicContact CD2-CG2 3.6Å; H81-T123 PolarHBondContact O-N 2.83Å; H81-T123 PolarHBondContact O-OG1 2.95Å; T82-T123 VanDerWaalsContact CG2-OG1 3.24Å; T82-T123 WeakPolarHBondContact CG2-OG1 3.49Å; T123-K159 WeakPolarHBondContact O-CE 3.5Å; T123-K159 PolarHBondContact O-NZ 3.47Å; T123-L185 CarbonylContact C-O 3.43Å; T123-P187 HydrophobicContact CG2-CG 4Å; T123-H233 PolarHBondContact OG1-NE2 2.98Å
124	S	97	Very high	86.5	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.111	C	C	.	.			trans	-83.9	-152.4	169.4	-166.9	0	0	0	0	110.7	Y122 E163 L185	Y122-S124 PolarHBondContact O-N 2.89Å; S124-E163 WeakPolarHBondContact CB-OE2 3.17Å; S124-E163 PolarHBondContact OG-OE2 3.16Å; S124-L185 CarbonylContact C-O 3.46Å; S124-L185 WeakPolarHBondContact CA-O 3.46Å; S124-L185 WeakPolarHBondContact CB-O 3.41Å; S124-L185 PolarHBondContact N-O 2.81Å
125	S	94.2	Very high	84.6	Confident	10 Å²	10	23.7 Å²	23.7	7%	0.07	12%	0.124	C	C	.	.			trans	-148.8	150.7	176	171.9	0	0	0	0	110.1	E127 V128	S125-E127 PolarHBondContact O-N 2.92Å; S125-E127 PolarHBondContact OG-N 2.94Å; S125-E127 VanDerWaalsContact OG-N 3.16Å; S125-V128 WeakPolarHBondContact O-CG1 3.39Å; S125-V128 WeakPolarHBondContact O-CG2 3.38Å; S125-V128 PolarHBondContact O-N 3.44Å
126	I	91.2	Very high	83.3	Confident	11 Å²	11	27.7 Å²	27.7	6%	0.056	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29.9	170	-163.2	67.8	0	0	0	112.8	V128 A129 P187 T188 Y255 F327 F329	I126-V128 PolarHBondContact O-N 2.93Å; I126-V128 VanDerWaalsContact O-N 3.11Å; I126-A129 VanDerWaalsContact O-CB 3.23Å; I126-A129 WeakPolarHBondContact O-CB 3.04Å; I126-A129 PolarHBondContact O-N 3.12Å; I126-P187 WeakPolarHBondContact CB-O 3.34Å; I126-P187 PolarHBondContact N-O 3.48Å; I126-T188 HydrophobicContact CB-CG2 4.4Å; I126-T188 HydrophobicContact CD1-CG2 4Å; I126-T188 HydrophobicContact CG1-CG2 4.15Å; I126-Y255 HydrophobicContact CD1-CD1 3.22Å; I126-Y255 HydrophobicContact CD1-CE1 3.29Å; I126-Y255 HydrophobicContact CD1-CG 4.3Å; I126-F327 HydrophobicContact CB-CE1 4.44Å; I126-F327 HydrophobicContact CG1-CD1 3.98Å; I126-F327 HydrophobicContact CG1-CE1 3.58Å; I126-F327 HydrophobicContact CG2-CE1 4.36Å; I126-F329 HydrophobicContact CD1-CB 4Å; I126-F329 HydrophobicContact CD1-CD1 4.14Å; I126-F329 HydrophobicContact CD1-CD2 3.1Å; I126-F329 HydrophobicContact CD1-CE1 4.45Å; I126-F329 HydrophobicContact CD1-CE2 3.51Å; I126-F329 HydrophobicContact CD1-CG 3.46Å; I126-F329 VanDerWaalsContact CD1-CG 3.46Å; I126-F329 HydrophobicContact CD1-CZ 4.16Å; I126-F329 HydrophobicContact CG1-CD2 3.61Å; I126-F329 HydrophobicContact CG1-CE2 3.67Å; I126-F329 HydrophobicContact CG1-CG 4.43Å
127	E	88.4	Confident	82.3	Confident	20 Å²	20	32.1 Å²	32.1	9%	0.093	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.9	-11	-177.6	-56.3	-176.3	-118.6	0	0	113.7	S125 A129 G130 W151 Y155 P156 H318 L322	S125-E127 PolarHBondContact O-N 2.92Å; S125-E127 PolarHBondContact OG-N 2.94Å; S125-E127 VanDerWaalsContact OG-N 3.16Å; E127-A129 PolarHBondContact O-N 2.96Å; E127-G130 PolarHBondContact O-N 3.34Å; E127-W151 PolarHBondContact O-NE1 3.24Å; E127-Y155 WeakPolarHBondContact OE1-CE1 3.41Å; E127-P156 HydrophobicContact CB-CB 3.65Å; E127-H318 IonicContact OE2-CE1 2.85Å; E127-H318 PolarHBondContact OE2-CE1 3.05Å; E127-H318 IonicContact OE2-NE2 3.32Å; E127-H318 PolarHBondContact OE2-NE2 3.04Å; E127-H318 VanDerWaalsContact OE2-NE2 3.12Å; E127-L322 HydrophobicContact CG-CD1 4.44Å
128	V	88.2	Confident	81.6	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-72.6	-14	170.5	-47.6	0	0	0	0	112.4	S125 I126 G130 W151 K159 K160 R186	S125-V128 WeakPolarHBondContact O-CG1 3.39Å; S125-V128 WeakPolarHBondContact O-CG2 3.38Å; S125-V128 PolarHBondContact O-N 3.44Å; I126-V128 PolarHBondContact O-N 2.93Å; I126-V128 VanDerWaalsContact O-N 3.11Å; V128-G130 VanDerWaalsContact C-N 3.29Å; V128-W151 WeakPolarHBondContact O-CZ2 3.29Å; V128-K159 HydrophobicContact CG1-CB 3.43Å; V128-K159 VanDerWaalsContact CG1-CB 3.43Å; V128-K160 HydrophobicContact CB-CB 4.21Å; V128-K160 HydrophobicContact CB-CD 4.08Å; V128-K160 HydrophobicContact CG1-CB 4.37Å; V128-R186 HydrophobicContact CG2-CG 4.12Å; V128-R186 VanDerWaalsContact CG2-CZ 3.4Å
129	A	83.3	Confident	81.1	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-79.9	-12.9	175	0	0	0	0	0	112.1	I126 E127 L147 N149 Y255 F327 F329	I126-A129 VanDerWaalsContact O-CB 3.23Å; I126-A129 WeakPolarHBondContact O-CB 3.04Å; I126-A129 PolarHBondContact O-N 3.12Å; E127-A129 PolarHBondContact O-N 2.96Å; A129-L147 HydrophobicContact CB-CD1 3.93Å; A129-L147 WeakPolarHBondContact O-CB 3.43Å; A129-N149 PolarHBondContact O-ND2 3.21Å; A129-Y255 HydrophobicContact CB-CE1 4.11Å; A129-Y255 WeakPolarHBondContact CB-OH 3.31Å; A129-F327 HydrophobicContact CB-CZ 4.03Å; A129-F329 HydrophobicContact CB-CE1 4.04Å; A129-F329 HydrophobicContact CB-CZ 3.74Å
130	G	65.1	Low	80.5	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.021	20%	0.203	C	C	.	.			trans	161.9	170.2	168.4	0	0	0	0	0	114	E127 V128 N132 N149	E127-G130 PolarHBondContact O-N 3.34Å; V128-G130 VanDerWaalsContact C-N 3.29Å; G130-N132 PolarHBondContact O-N 3.1Å; G130-N149 VanDerWaalsContact CA-CB 3.44Å; G130-N149 WeakPolarHBondContact CA-ND2 3.36Å
131	P	58.5	Low	79.9	Confident	32 Å²	32	41.7 Å²	41.7	21%	0.208	20%	0.204	C	C	.	.			trans	-65.2	131.3	145.9	34.4	-31.1	0	0	0	107.8	S133 N149 T150	P131-S133 PolarHBondContact O-N 3.3Å; P131-N149 VanDerWaalsContact CD-CB 3.41Å; P131-T150 WeakPolarHBondContact CG-O 3.26Å
132	N	56.7	Low	79.5	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.032	22%	0.22	C	C	.	.			trans	-59.8	69.4	158.5	-76.4	23	0	0	0	109.7	G130 Y134 T321 L322 S325 F327	G130-N132 PolarHBondContact O-N 3.1Å; N132-Y134 PolarHBondContact O-N 3.28Å; N132-T321 WeakPolarHBondContact O-CG2 3.34Å; N132-L322 WeakPolarHBondContact ND2-CD1 3.16Å; N132-S325 PolarHBondContact O-OG 3.41Å; N132-F327 VanDerWaalsContact CG-CG 3.42Å; N132-F327 VanDerWaalsContact ND2-CB 3.32Å; N132-F327 WeakPolarHBondContact ND2-CB 3.08Å; N132-F327 WeakPolarHBondContact ND2-CD1 3.23Å; N132-F327 WeakPolarHBondContact ND2-CG 3.38Å; N132-F327 WeakPolarHBondContact OD1-CD1 2.94Å; N132-F327 WeakPolarHBondContact OD1-CD2 3.34Å; N132-F327 WeakPolarHBondContact OD1-CE1 3.45Å; N132-F327 WeakPolarHBondContact OD1-CE2 3.46Å; N132-F327 WeakPolarHBondContact OD1-CG 2.83Å; N132-F327 WeakPolarHBondContact OD1-CZ 3.11Å
133	S	57.3	Low	79	Confident	30 Å²	30	46 Å²	46	21%	0.21	22%	0.223	C	C	.	.			trans	-71.4	134.8	176.4	99.4	0	0	0	0	108.3	P131 K135 E136	P131-S133 PolarHBondContact O-N 3.3Å; S133-K135 PolarHBondContact O-N 2.98Å; S133-K135 PolarHBondContact OG-N 3.1Å; S133-E136 PolarHBondContact O-N 2.95Å; S133-E136 PolarHBondContact OG-N 3.36Å
134	Y	52.8	Low	78.3	Confident	120 Å²	120	50.8 Å²	50.8	47%	0.471	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-7	175.2	61.1	-93.9	0	0	0	113.2	N132 L288 S325	N132-Y134 PolarHBondContact O-N 3.28Å; Y134-L288 HydrophobicContact CG-CD2 4.29Å; Y134-S325 PolarHBondContact N-OG 3.47Å
135	K	57.8	Low	77.4	Confident	159 Å²	159	54.2 Å²	54.2	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-22	178.2	-58.9	-176.5	176.9	-178.1	0	112.7	S133	S133-K135 PolarHBondContact O-N 2.98Å; S133-K135 PolarHBondContact OG-N 3.1Å
136	E	68.9	Low	75.8	Confident	111 Å²	111	59.6 Å²	59.6	52%	0.519	30%	0.295	S	S	.	.	S	Bend	trans	-121.8	105.9	-176.5	-72	179.6	-173.6	0	0	109.5	S133	S133-E136 PolarHBondContact O-N 2.95Å; S133-E136 PolarHBondContact OG-N 3.36Å
137	I	79.1	Confident	74.7	Confident	119 Å²	119	60.9 Å²	60.9	61%	0.61	30%	0.302	S	S	*	.			trans	-82	119.7	176.3	-69.8	169.8	0	0	0	107.9	Q139 V326	I137-Q139 HydrophobicContact CG2-CB 4.33Å; I137-V326 HydrophobicContact CB-CB 4.45Å; I137-V326 HydrophobicContact CG1-CB 4.29Å; I137-V326 HydrophobicContact CG2-CB 3.81Å; I137-V326 HydrophobicContact CG2-CG1 3.76Å
138	I	83.2	Confident	73.2	Confident	18 Å²	18	68.6 Å²	68.6	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.8	168.2	-53.4	-166.1	0	0	0	107.9	L147 V326 F327 T328 F329	I138-L147 HydrophobicContact CD1-CD1 3.76Å; I138-L147 HydrophobicContact CD1-CD2 3.75Å; I138-L147 HydrophobicContact CD1-CG 4.39Å; I138-V326 PolarHBondContact N-O 3.12Å; I138-V326 CarbonylContact O-C 3.5Å; I138-F327 HydrophobicContact CB-CD2 3.89Å; I138-F327 HydrophobicContact CB-CE2 4.29Å; I138-F327 HydrophobicContact CD1-CD2 4.07Å; I138-F327 HydrophobicContact CD1-CE2 3.61Å; I138-F327 HydrophobicContact CG1-CD2 4.09Å; I138-F327 HydrophobicContact CG1-CE2 4.15Å; I138-F327 VanDerWaalsContact O-CA 3.29Å; I138-F327 WeakPolarHBondContact O-CA 3.34Å; I138-F327 PolarHBondContact O-N 3.41Å; I138-T328 PolarHBondContact O-N 2.92Å; I138-F329 HydrophobicContact CD1-CZ 4.26Å; I138-F329 HydrophobicContact CG2-CE1 4.01Å; I138-F329 HydrophobicContact CG2-CE2 4.3Å; I138-F329 HydrophobicContact CG2-CZ 3.8Å
139	Q	86.4	Confident	72.1	Confident	135 Å²	135	70 Å²	70	63%	0.631	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.6	178.7	-174.1	173.5	-7.7	0	0	109.5	I137 G141 V326	I137-Q139 HydrophobicContact CG2-CB 4.33Å; Q139-G141 VanDerWaalsContact C-N 3.31Å; Q139-G141 PolarHBondContact O-N 3.44Å; Q139-V326 HydrophobicContact CB-CG1 4.45Å
140	N	87.1	Confident	71.1	Confident	85 Å²	85	75.9 Å²	75.9	46%	0.455	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.2	38.6	-178	-58.7	-32.9	0	0	0	113.8	T328	N140-T328 WeakPolarHBondContact CA-O 3.38Å; N140-T328 PolarHBondContact N-O 3.21Å; N140-T328 PolarHBondContact N-OG1 3.37Å; N140-T328 PolarHBondContact OD1-OG1 3.18Å
141	G	87.1	Confident	71.3	Confident	1 Å²	1	78 Å²	78	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	156.4	176.7	0	0	0	0	0	112.6	Q139 E145 T328 F329 S330	Q139-G141 VanDerWaalsContact C-N 3.31Å; Q139-G141 PolarHBondContact O-N 3.44Å; G141-E145 VanDerWaalsContact CA-OE2 3.31Å; G141-E145 WeakPolarHBondContact CA-OE2 3.48Å; G141-T328 PolarHBondContact N-O 3.42Å; G141-F329 CarbonylContact O-C 3.5Å; G141-F329 VanDerWaalsContact O-CA 3.32Å; G141-F329 WeakPolarHBondContact O-CA 2.96Å; G141-F329 WeakPolarHBondContact O-CD1 3.28Å; G141-S330 PolarHBondContact O-N 2.84Å
142	H	89.6	Confident	71.9	Confident	74 Å²	74	81.1 Å²	81.1	34%	0.343	41%	0.411	S	S	.	.			trans	-139	166.1	-174.7	56.8	87	0	0	0	112.3	E144 E145	H142-E144 IonicContact CE1-OE2 2.81Å; H142-E144 IonicContact CG-OE2 3.15Å; H142-E144 IonicContact ND1-OE2 3.39Å; H142-E144 PolarHBondContact ND1-OE2 2.85Å; H142-E144 PolarHBondContact O-N 3.12Å; H142-E145 IonicContact CD2-OE1 3.7Å; H142-E145 PolarHBondContact CD2-OE1 3.36Å; H142-E145 VanDerWaalsContact CD2-OE1 3.28Å; H142-E145 IonicContact CE1-OE1 2.69Å; H142-E145 PolarHBondContact N-OE2 2.88Å; H142-E145 IonicContact NE2-OE1 3.83Å; H142-E145 PolarHBondContact NE2-OE1 2.65Å; H142-E145 VanDerWaalsContact NE2-OE1 3.15Å; H142-E145 PolarHBondContact O-N 2.99Å; H142-E145 VanDerWaalsContact O-N 3.16Å
143	E	89.3	Confident	73.2	Confident	17 Å²	17	81.3 Å²	81.3	8%	0.079	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17	-167.9	-66.4	87.6	164.8	0	0	115	E145 F253 Y254 Y255 K333	E143-E145 VanDerWaalsContact C-N 3.32Å; E143-F253 HydrophobicContact CB-CD2 4.43Å; E143-F253 HydrophobicContact CB-CE2 3.67Å; E143-F253 HydrophobicContact CB-CZ 3.84Å; E143-F253 HydrophobicContact CG-CD2 3.8Å; E143-F253 HydrophobicContact CG-CE2 3.39Å; E143-F253 HydrophobicContact CG-CZ 4.1Å; E143-F253 WeakPolarHBondContact O-CZ 3.47Å; E143-Y254 WeakPolarHBondContact OE1-CA 2.9Å; E143-Y255 HydrophobicContact CG-CD2 3.7Å; E143-Y255 HydrophobicContact CG-CE2 3.94Å; E143-Y255 PolarHBondContact OE1-N 2.96Å; E143-K333 HydrophobicContact CB-CD 3.63Å; E143-K333 VanDerWaalsContact CD-CB 3.47Å; E143-K333 VanDerWaalsContact CD-CD 3.43Å; E143-K333 HydrophobicContact CG-CD 3.55Å; E143-K333 WeakPolarHBondContact OE2-CB 3.49Å
144	E	83.2	Confident	74.7	Confident	114 Å²	114	81.6 Å²	81.6	53%	0.533	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.4	175.8	-57.9	78.8	-170.4	0	0	113.3	H142 P146	H142-E144 IonicContact CE1-OE2 2.81Å; H142-E144 IonicContact CG-OE2 3.15Å; H142-E144 IonicContact ND1-OE2 3.39Å; H142-E144 PolarHBondContact ND1-OE2 2.85Å; H142-E144 PolarHBondContact O-N 3.12Å; E144-P146 WeakPolarHBondContact O-CD 2.95Å
145	E	77.8	Confident	76.6	Confident	73 Å²	73	76.5 Å²	76.5	34%	0.341	40%	0.395	S	S	.	.	S	Bend	trans	-81.5	120.2	178.1	-63.6	176.9	166.5	0	0	110.5	G141 H142 E143 L147	G141-E145 VanDerWaalsContact CA-OE2 3.31Å; G141-E145 WeakPolarHBondContact CA-OE2 3.48Å; H142-E145 IonicContact CD2-OE1 3.7Å; H142-E145 PolarHBondContact CD2-OE1 3.36Å; H142-E145 VanDerWaalsContact CD2-OE1 3.28Å; H142-E145 IonicContact CE1-OE1 2.69Å; H142-E145 PolarHBondContact N-OE2 2.88Å; H142-E145 IonicContact NE2-OE1 3.83Å; H142-E145 PolarHBondContact NE2-OE1 2.65Å; H142-E145 VanDerWaalsContact NE2-OE1 3.15Å; H142-E145 PolarHBondContact O-N 2.99Å; H142-E145 VanDerWaalsContact O-N 3.16Å; E143-E145 VanDerWaalsContact C-N 3.32Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 HydrophobicContact CB-CG 4.4Å; E145-L147 PolarHBondContact O-N 2.67Å
146	P	61.6	Low	78.1	Confident	123 Å²	123	69.1 Å²	69.1	80%	0.799	36%	0.363	S	S	*	.			trans	-74.4	90.1	177.4	30.4	-33	0	0	0	109.6	E144 E148	E144-P146 WeakPolarHBondContact O-CD 2.95Å; P146-E148 PolarHBondContact O-N 3.42Å
147	L	67.3	Low	79.2	Confident	38 Å²	38	67.5 Å²	67.5	20%	0.199	35%	0.353	C	S	.	.			trans	-88.2	84.8	173	-58.2	173.2	0	0	0	109.2	A129 I138 E145 F329	A129-L147 HydrophobicContact CB-CD1 3.93Å; A129-L147 WeakPolarHBondContact O-CB 3.43Å; I138-L147 HydrophobicContact CD1-CD1 3.76Å; I138-L147 HydrophobicContact CD1-CD2 3.75Å; I138-L147 HydrophobicContact CD1-CG 4.39Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 HydrophobicContact CB-CG 4.4Å; E145-L147 PolarHBondContact O-N 2.67Å; L147-F329 HydrophobicContact CD1-CE1 3.72Å; L147-F329 HydrophobicContact CD1-CZ 4.05Å
148	E	58.1	Low	80	Confident	182 Å²	182	61.9 Å²	61.9	85%	0.85	32%	0.324	S	S	*	.			trans	-90.9	124.3	168.1	-72.8	-161.5	165.8	0	0	110	P146	P146-E148 PolarHBondContact O-N 3.42Å
149	N	63.5	Low	80.5	Confident	29 Å²	29	61.1 Å²	61.1	16%	0.155	32%	0.32	C	S	.	.			trans	-148.1	146.4	-161.1	-100.5	-38.5	0	0	0	111.4	A129 G130 P131 W151	A129-N149 PolarHBondContact O-ND2 3.21Å; G130-N149 VanDerWaalsContact CA-CB 3.44Å; G130-N149 WeakPolarHBondContact CA-ND2 3.36Å; P131-N149 VanDerWaalsContact CD-CB 3.41Å; N149-W151 HydrophobicContact CB-CZ2 4.07Å; N149-W151 VanDerWaalsContact O-CH2 3.25Å; N149-W151 WeakPolarHBondContact O-CH2 3.3Å; N149-W151 WeakPolarHBondContact O-CZ3 3.37Å
150	T	63.6	Low	80.9	Confident	125 Å²	125	57.2 Å²	57.2	77%	0.767	30%	0.301	S	S	*	.			trans	-89.7	109.3	179.9	54.7	0	0	0	0	111.3	P131	P131-T150 WeakPolarHBondContact CG-O 3.26Å
151	W	68.8	Low	81.3	Confident	48 Å²	48	55.9 Å²	55.9	18%	0.182	29%	0.294	C	S	.	.			trans	-88.2	111.6	178.3	-56.7	-82.2	0	0	0	112.1	E127 V128 N149 P156 Y157 K160	E127-W151 PolarHBondContact O-NE1 3.24Å; V128-W151 WeakPolarHBondContact O-CZ2 3.29Å; N149-W151 HydrophobicContact CB-CZ2 4.07Å; N149-W151 VanDerWaalsContact O-CH2 3.25Å; N149-W151 WeakPolarHBondContact O-CH2 3.3Å; N149-W151 WeakPolarHBondContact O-CZ3 3.37Å; W151-P156 HydrophobicContact CG-CB 4.39Å; W151-Y157 HydrophobicContact CB-CD2 4.27Å; W151-Y157 HydrophobicContact CE3-CD2 4.02Å; W151-K160 HydrophobicContact CE3-CG 4.38Å; W151-K160 HydrophobicContact CH2-CB 4.38Å; W151-K160 HydrophobicContact CH2-CD 3.73Å; W151-K160 HydrophobicContact CH2-CG 3.57Å; W151-K160 HydrophobicContact CZ2-CB 4.38Å; W151-K160 HydrophobicContact CZ2-CD 3.87Å; W151-K160 HydrophobicContact CZ2-CG 3.94Å; W151-K160 HydrophobicContact CZ3-CB 4.44Å; W151-K160 HydrophobicContact CZ3-CD 4.45Å; W151-K160 HydrophobicContact CZ3-CG 3.79Å
152	S	70.3	Confident	81.8	Confident	96 Å²	96	55.8 Å²	55.8	67%	0.671	29%	0.293	S	S	*	.			trans	-79.9	-32	173	56.7	0	0	0	0	112.7
153	A	83.8	Confident	82.2	Confident	10 Å²	10	52.5 Å²	52.5	8%	0.083	28%	0.278	C	S	.	.	S	Bend	trans	-81.1	138.3	-178.7	0	0	0	0	0	112.2	Y155 P156 Y157 H318	A153-Y155 PolarHBondContact O-N 3.36Å; A153-P156 HydrophobicContact CB-CG 3.75Å; A153-P156 WeakPolarHBondContact O-CD 3.42Å; A153-Y157 WeakPolarHBondContact O-CB 3.36Å; A153-Y157 PolarHBondContact O-N 3.21Å; A153-H318 HydrophobicContact CB-CB 4.09Å
154	P	89.8	Confident	82.5	Confident	36 Å²	36	58.8 Å²	58.8	23%	0.234	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-41.9	180	-29.1	36.9	0	0	0	115	R94 I97 S158	R94-P154 HydrophobicContact CB-CB 4.35Å; R94-P154 HydrophobicContact CB-CG 4.1Å; R94-P154 HydrophobicContact CG-CB 4.06Å; R94-P154 HydrophobicContact CG-CG 4.08Å; I97-P154 HydrophobicContact CB-CB 4.4Å; I97-P154 HydrophobicContact CD1-CB 3.66Å; I97-P154 HydrophobicContact CD1-CG 4.38Å; I97-P154 HydrophobicContact CG2-CB 4.29Å; P154-S158 WeakPolarHBondContact O-CB 3.39Å; P154-S158 PolarHBondContact O-N 2.81Å; P154-S158 PolarHBondContact O-OG 3.38Å
155	Y	91.8	Very high	83.3	Confident	13 Å²	13	54.3 Å²	54.3	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-60.6	-176	173	-108.5	0	0	0	112.9	I85 I86 E127 A153 Y157 S158 K159	I85-Y155 WeakPolarHBondContact O-CD2 3.48Å; I86-Y155 HydrophobicContact CB-CD2 4.44Å; I86-Y155 HydrophobicContact CB-CE2 4.1Å; I86-Y155 HydrophobicContact CG1-CD2 4.47Å; I86-Y155 HydrophobicContact CG1-CE2 3.7Å; I86-Y155 HydrophobicContact CG2-CD1 4.44Å; I86-Y155 HydrophobicContact CG2-CD2 4.38Å; I86-Y155 HydrophobicContact CG2-CE1 4.21Å; I86-Y155 HydrophobicContact CG2-CE2 4.12Å; E127-Y155 WeakPolarHBondContact OE1-CE1 3.41Å; A153-Y155 PolarHBondContact O-N 3.36Å; Y155-Y157 VanDerWaalsContact C-N 3.28Å; Y155-Y157 PolarHBondContact O-N 2.89Å; Y155-S158 PolarHBondContact O-N 3.34Å; Y155-S158 PolarHBondContact O-OG 3.04Å; Y155-K159 HydrophobicContact CD2-CD 4.44Å; Y155-K159 HydrophobicContact CD2-CG 4.03Å; Y155-K159 HydrophobicContact CE1-CG 4.16Å; Y155-K159 HydrophobicContact CE2-CD 3.7Å; Y155-K159 HydrophobicContact CE2-CG 3.56Å; Y155-K159 WeakPolarHBondContact O-CG 3.46Å; Y155-K159 PolarHBondContact O-N 3.46Å
156	P	90.3	Very high	84.3	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-35.5	-178.3	23.3	-33.6	0	0	0	112.9	E127 W151 A153 S158 K159 K160	E127-P156 HydrophobicContact CB-CB 3.65Å; W151-P156 HydrophobicContact CG-CB 4.39Å; A153-P156 HydrophobicContact CB-CG 3.75Å; A153-P156 WeakPolarHBondContact O-CD 3.42Å; P156-S158 PolarHBondContact O-N 2.79Å; P156-K159 PolarHBondContact O-N 2.86Å; P156-K160 WeakPolarHBondContact O-CB 3.42Å; P156-K160 PolarHBondContact O-N 3.19Å
157	Y	91.8	Very high	86	Confident	78 Å²	78	47 Å²	47	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-46.1	172.6	-174.8	-111.8	0	0	0	112.2	R94 M98 W151 A153 Y155 K160 L161	R94-Y157 VanDerWaalsContact NH2-CE1 3.29Å; M98-Y157 HydrophobicContact CE-CD1 4.14Å; M98-Y157 HydrophobicContact CE-CE1 4.05Å; M98-Y157 HydrophobicContact SD-CD1 3.89Å; M98-Y157 HydrophobicContact SD-CE1 4.33Å; W151-Y157 HydrophobicContact CB-CD2 4.27Å; W151-Y157 HydrophobicContact CE3-CD2 4.02Å; A153-Y157 WeakPolarHBondContact O-CB 3.36Å; A153-Y157 PolarHBondContact O-N 3.21Å; Y155-Y157 VanDerWaalsContact C-N 3.28Å; Y155-Y157 PolarHBondContact O-N 2.89Å; Y157-K160 PolarHBondContact O-N 2.87Å; Y157-L161 HydrophobicContact CD1-CD1 3.88Å; Y157-L161 HydrophobicContact CE1-CD1 3.32Å; Y157-L161 HydrophobicContact CE1-CG 4.31Å; Y157-L161 HydrophobicContact CE2-CD1 4.19Å; Y157-L161 HydrophobicContact CE2-CG 4.41Å; Y157-L161 PolarHBondContact O-N 2.83Å; Y157-L161 VanDerWaalsContact O-N 3.07Å
158	S	95.2	Very high	87.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-42.3	177.9	75.5	0	0	0	0	112.2	I97 N101 V102 P154 Y155 P156 K160 L161 A162	I97-S158 WeakPolarHBondContact CG2-OG 3.43Å; N101-S158 WeakPolarHBondContact CB-OG 3.45Å; N101-S158 PolarHBondContact ND2-OG 3.44Å; V102-S158 WeakPolarHBondContact CG2-O 3.4Å; P154-S158 WeakPolarHBondContact O-CB 3.39Å; P154-S158 PolarHBondContact O-N 2.81Å; P154-S158 PolarHBondContact O-OG 3.38Å; Y155-S158 PolarHBondContact O-N 3.34Å; Y155-S158 PolarHBondContact O-OG 3.04Å; P156-S158 PolarHBondContact O-N 2.79Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 3.37Å; S158-L161 PolarHBondContact O-N 3.01Å; S158-A162 VanDerWaalsContact O-CB 3.31Å; S158-A162 WeakPolarHBondContact O-CB 3.26Å; S158-A162 PolarHBondContact O-N 3Å
159	K	95.3	Very high	89.4	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-39	177.1	-65.7	-58.6	-64.6	179.9	0	111.6	Y122 T123 V128 Y155 P156 E163	Y122-K159 VanDerWaalsContact OH-CE 3.22Å; Y122-K159 WeakPolarHBondContact OH-CE 3.37Å; Y122-K159 PolarHBondContact OH-NZ 2.79Å; T123-K159 WeakPolarHBondContact O-CE 3.5Å; T123-K159 PolarHBondContact O-NZ 3.47Å; V128-K159 HydrophobicContact CG1-CB 3.43Å; V128-K159 VanDerWaalsContact CG1-CB 3.43Å; Y155-K159 HydrophobicContact CD2-CD 4.44Å; Y155-K159 HydrophobicContact CD2-CG 4.03Å; Y155-K159 HydrophobicContact CE1-CG 4.16Å; Y155-K159 HydrophobicContact CE2-CD 3.7Å; Y155-K159 HydrophobicContact CE2-CG 3.56Å; Y155-K159 WeakPolarHBondContact O-CG 3.46Å; Y155-K159 PolarHBondContact O-N 3.46Å; P156-K159 PolarHBondContact O-N 2.86Å; K159-E163 VanDerWaalsContact O-CB 3.25Å; K159-E163 WeakPolarHBondContact O-CB 3Å; K159-E163 PolarHBondContact O-N 3.14Å
160	K	93.4	Very high	91.1	Very high	54 Å²	54	40.1 Å²	40.1	24%	0.235	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-47.9	175.4	-178.2	69.7	175.7	-169.6	0	112	V128 W151 P156 Y157 S158 E163 K164	V128-K160 HydrophobicContact CB-CB 4.21Å; V128-K160 HydrophobicContact CB-CD 4.08Å; V128-K160 HydrophobicContact CG1-CB 4.37Å; W151-K160 HydrophobicContact CE3-CG 4.38Å; W151-K160 HydrophobicContact CH2-CB 4.38Å; W151-K160 HydrophobicContact CH2-CD 3.73Å; W151-K160 HydrophobicContact CH2-CG 3.57Å; W151-K160 HydrophobicContact CZ2-CB 4.38Å; W151-K160 HydrophobicContact CZ2-CD 3.87Å; W151-K160 HydrophobicContact CZ2-CG 3.94Å; W151-K160 HydrophobicContact CZ3-CB 4.44Å; W151-K160 HydrophobicContact CZ3-CD 4.45Å; W151-K160 HydrophobicContact CZ3-CG 3.79Å; P156-K160 WeakPolarHBondContact O-CB 3.42Å; P156-K160 PolarHBondContact O-N 3.19Å; Y157-K160 PolarHBondContact O-N 2.87Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 3.37Å; K160-E163 PolarHBondContact O-N 3.29Å; K160-K164 WeakPolarHBondContact O-CB 3.26Å; K160-K164 PolarHBondContact O-N 3.36Å
161	L	95.5	Very high	92.7	Very high	56 Å²	56	35.8 Å²	35.8	29%	0.293	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-41.2	-179.7	-72.9	175.9	0	0	0	112.2	M98 V102 Y157 S158 K164 A165	M98-L161 HydrophobicContact CE-CD1 3.58Å; V102-L161 HydrophobicContact CG1-CB 4.23Å; V102-L161 HydrophobicContact CG2-CB 4.02Å; Y157-L161 HydrophobicContact CD1-CD1 3.88Å; Y157-L161 HydrophobicContact CE1-CD1 3.32Å; Y157-L161 HydrophobicContact CE1-CG 4.31Å; Y157-L161 HydrophobicContact CE2-CD1 4.19Å; Y157-L161 HydrophobicContact CE2-CG 4.41Å; Y157-L161 PolarHBondContact O-N 2.83Å; Y157-L161 VanDerWaalsContact O-N 3.07Å; S158-L161 PolarHBondContact O-N 3.01Å; L161-K164 PolarHBondContact O-N 2.88Å; L161-A165 PolarHBondContact O-N 3.4Å
162	A	98.1	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-44.1	175.9	0	0	0	0	0	112.1	N101 T105 Y122 S158 K164 A165 V166	N101-A162 WeakPolarHBondContact O-CB 3.24Å; T105-A162 HydrophobicContact CG2-CB 4.3Å; Y122-A162 HydrophobicContact CE1-CB 4.34Å; Y122-A162 HydrophobicContact CE2-CB 4.46Å; Y122-A162 WeakPolarHBondContact OH-CB 3.07Å; S158-A162 VanDerWaalsContact O-CB 3.31Å; S158-A162 WeakPolarHBondContact O-CB 3.26Å; S158-A162 PolarHBondContact O-N 3Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.41Å; A162-A165 WeakPolarHBondContact O-CB 3.49Å; A162-A165 PolarHBondContact O-N 2.91Å; A162-A165 VanDerWaalsContact O-N 3.17Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 2.92Å
163	E	97.8	Very high	95.4	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-44	174.2	-174.2	-173.9	83.2	0	0	111.4	Y122 S124 K159 K160 A165 V166 L167 A184 R186	Y122-E163 HydrophobicContact CD1-CB 4.31Å; Y122-E163 HydrophobicContact CE1-CB 4.04Å; S124-E163 WeakPolarHBondContact CB-OE2 3.17Å; S124-E163 PolarHBondContact OG-OE2 3.16Å; K159-E163 VanDerWaalsContact O-CB 3.25Å; K159-E163 WeakPolarHBondContact O-CB 3Å; K159-E163 PolarHBondContact O-N 3.14Å; K160-E163 PolarHBondContact O-N 3.29Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 2.78Å; E163-V166 PolarHBondContact O-N 2.94Å; E163-L167 HydrophobicContact CG-CD1 4.03Å; E163-L167 HydrophobicContact CG-CG 4.27Å; E163-L167 WeakPolarHBondContact O-CG 3.46Å; E163-L167 PolarHBondContact O-N 3.35Å; E163-A184 HydrophobicContact CG-CB 3.83Å; E163-R186 IonicContact OE1-CZ 3.73Å; E163-R186 IonicContact OE1-NE 3.86Å; E163-R186 PolarHBondContact OE1-NE 3.2Å; E163-R186 IonicContact OE1-NH2 3.28Å; E163-R186 PolarHBondContact OE1-NH2 2.98Å; E163-R186 WeakPolarHBondContact OE2-CG 3.27Å; E163-R186 IonicContact OE2-CZ 2.62Å; E163-R186 IonicContact OE2-NE 3.72Å; E163-R186 PolarHBondContact OE2-NE 3.29Å; E163-R186 IonicContact OE2-NH2 3.85Å
164	K	96.6	Very high	96.1	Very high	149 Å²	149	38.9 Å²	38.9	65%	0.648	21%	0.21	S	C	*	.	H	α-helix	trans	-58.2	-43	175.1	-175.3	178.5	-179.5	177.3	0	111.6	K160 L161 A162 A168	K160-K164 WeakPolarHBondContact O-CB 3.26Å; K160-K164 PolarHBondContact O-N 3.36Å; L161-K164 PolarHBondContact O-N 2.88Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.41Å; K164-A168 VanDerWaalsContact O-CB 3.22Å; K164-A168 WeakPolarHBondContact O-CB 3.2Å; K164-A168 PolarHBondContact O-N 2.67Å
165	A	98.4	Very high	96.4	Very high	21 Å²	21	43.4 Å²	43.4	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-41.4	176.7	0	0	0	0	0	112.2	Q106 L161 A162 E163 A169	Q106-A165 HydrophobicContact CG-CB 4.29Å; L161-A165 PolarHBondContact O-N 3.4Å; A162-A165 WeakPolarHBondContact O-CB 3.49Å; A162-A165 PolarHBondContact O-N 2.91Å; A162-A165 VanDerWaalsContact O-N 3.17Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 2.78Å; A165-A169 WeakPolarHBondContact O-CB 3.14Å; A165-A169 PolarHBondContact O-N 2.65Å; A165-A169 VanDerWaalsContact O-N 3.1Å
166	V	98.7	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-51.2	176.9	170.8	0	0	0	0	111.2	T105 L109 F120 Y122 A162 E163 A168 A169 T182	T105-V166 HydrophobicContact CG2-CG2 3.61Å; L109-V166 HydrophobicContact CD1-CG2 4.02Å; L109-V166 HydrophobicContact CD2-CG2 4.42Å; F120-V166 HydrophobicContact CD1-CG1 3.96Å; F120-V166 HydrophobicContact CD1-CG2 4.32Å; F120-V166 HydrophobicContact CE1-CG1 4.18Å; F120-V166 HydrophobicContact CE1-CG2 3.73Å; Y122-V166 HydrophobicContact CD1-CG2 4.34Å; Y122-V166 HydrophobicContact CD2-CG2 4.19Å; Y122-V166 HydrophobicContact CG-CG2 3.95Å; A162-V166 WeakPolarHBondContact O-CG2 3.46Å; A162-V166 PolarHBondContact O-N 2.92Å; E163-V166 PolarHBondContact O-N 2.94Å; V166-A168 VanDerWaalsContact C-N 3.29Å; V166-A168 PolarHBondContact O-N 2.76Å; V166-A169 WeakPolarHBondContact O-CA 3.43Å; V166-A169 WeakPolarHBondContact O-CB 3.43Å; V166-A169 PolarHBondContact O-N 2.76Å; V166-T182 HydrophobicContact CG1-CG2 4.34Å; V166-T182 WeakPolarHBondContact O-CG2 3.33Å; V166-T182 PolarHBondContact O-OG1 3.29Å; V166-T182 VanDerWaalsContact O-OG1 3.07Å
167	L	98.1	Very high	96.9	Very high	42 Å²	42	50.7 Å²	50.7	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-35.8	-178.6	-63	177.9	0	0	0	111.7	E163 A169 D170 A184 Q252 F253	E163-L167 HydrophobicContact CG-CD1 4.03Å; E163-L167 HydrophobicContact CG-CG 4.27Å; E163-L167 WeakPolarHBondContact O-CG 3.46Å; E163-L167 PolarHBondContact O-N 3.35Å; L167-A169 PolarHBondContact O-N 3.46Å; L167-D170 WeakPolarHBondContact O-CB 3.19Å; L167-D170 PolarHBondContact O-N 3.22Å; L167-A184 HydrophobicContact CD2-CB 4.14Å; L167-Q252 WeakPolarHBondContact CD2-O 3.37Å; L167-F253 HydrophobicContact CD1-CD1 4.19Å
168	A	98.4	Very high	97.1	Very high	67 Å²	67	48.1 Å²	48.1	55%	0.554	28%	0.277	S	S	*	.	H	α-helix	trans	-70.8	-16.1	173.8	0	0	0	0	0	113.8	K164 V166 W172	K164-A168 VanDerWaalsContact O-CB 3.22Å; K164-A168 WeakPolarHBondContact O-CB 3.2Å; K164-A168 PolarHBondContact O-N 2.67Å; V166-A168 VanDerWaalsContact C-N 3.29Å; V166-A168 PolarHBondContact O-N 2.76Å; A168-W172 PolarHBondContact O-NE1 2.84Å
169	A	98.5	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.1	175.5	0	0	0	0	0	113.5	L109 A165 V166 L167 G171 W172 L180 T182	L109-A169 HydrophobicContact CD1-CB 4.11Å; L109-A169 HydrophobicContact CD2-CB 3.97Å; A165-A169 WeakPolarHBondContact O-CB 3.14Å; A165-A169 PolarHBondContact O-N 2.65Å; A165-A169 VanDerWaalsContact O-N 3.1Å; V166-A169 WeakPolarHBondContact O-CA 3.43Å; V166-A169 WeakPolarHBondContact O-CB 3.43Å; V166-A169 PolarHBondContact O-N 2.76Å; L167-A169 PolarHBondContact O-N 3.46Å; A169-G171 PolarHBondContact O-N 3.32Å; A169-W172 VanDerWaalsContact CA-CE2 3.48Å; A169-W172 HydrophobicContact CB-CD2 3.71Å; A169-W172 HydrophobicContact CB-CE3 3.71Å; A169-W172 HydrophobicContact CB-CG 4.35Å; A169-W172 HydrophobicContact CB-CH2 3.94Å; A169-W172 HydrophobicContact CB-CZ2 3.88Å; A169-W172 HydrophobicContact CB-CZ3 3.85Å; A169-W172 WeakPolarHBondContact O-CB 3.46Å; A169-W172 VanDerWaalsContact O-CG 3.25Å; A169-W172 PolarHBondContact O-N 3.45Å; A169-L180 HydrophobicContact CB-CD2 4.19Å; A169-T182 HydrophobicContact CB-CG2 4.32Å
170	D	98.4	Very high	97.4	Very high	37 Å²	37	50.5 Å²	50.5	20%	0.198	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	131	170.8	-165.6	79.9	0	0	0	110.7	L167 Y181 T182 R250 G251	L167-D170 WeakPolarHBondContact O-CB 3.19Å; L167-D170 PolarHBondContact O-N 3.22Å; D170-Y181 WeakPolarHBondContact OD1-CA 3.21Å; D170-T182 HydrophobicContact CB-CG2 4.42Å; D170-T182 WeakPolarHBondContact CB-OG1 3.22Å; D170-T182 PolarHBondContact OD1-N 3.43Å; D170-R250 WeakPolarHBondContact OD1-CB 3.24Å; D170-R250 IonicContact OD1-NE 3.78Å; D170-R250 PolarHBondContact OD1-NE 2.88Å; D170-R250 IonicContact OD1-NH2 3.87Å; D170-R250 IonicContact OD2-CZ 3.23Å; D170-R250 VanDerWaalsContact OD2-CZ 3.23Å; D170-R250 IonicContact OD2-NE 2.83Å; D170-R250 PolarHBondContact OD2-NE 3.12Å; D170-R250 IonicContact OD2-NH2 2.81Å; D170-R250 PolarHBondContact OD2-NH2 3.09Å; D170-G251 PolarHBondContact OD1-N 3.01Å; D170-G251 VanDerWaalsContact OD1-N 3.17Å
171	G	97.9	Very high	97.6	Very high	35 Å²	35	51.2 Å²	51.2	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-1.8	-178.8	0	0	0	0	0	115	A169 T173 L180 R250	A169-G171 PolarHBondContact O-N 3.32Å; G171-T173 PolarHBondContact O-N 3.19Å; G171-L180 PolarHBondContact N-O 3.16Å; G171-R250 VanDerWaalsContact N-NH2 3.12Å
172	W	98.3	Very high	97.8	Very high	110 Å²	110	48.6 Å²	48.6	42%	0.417	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-60	136.7	172.7	-74.3	6.4	0	0	0	111.4	L109 V113 A168 A169 T179 L180	L109-W172 HydrophobicContact CB-CZ3 4.19Å; V113-W172 HydrophobicContact CG2-CB 4.37Å; V113-W172 HydrophobicContact CG2-CE3 3.65Å; V113-W172 HydrophobicContact CG2-CZ3 4.38Å; A168-W172 PolarHBondContact O-NE1 2.84Å; A169-W172 VanDerWaalsContact CA-CE2 3.48Å; A169-W172 HydrophobicContact CB-CD2 3.71Å; A169-W172 HydrophobicContact CB-CE3 3.71Å; A169-W172 HydrophobicContact CB-CG 4.35Å; A169-W172 HydrophobicContact CB-CH2 3.94Å; A169-W172 HydrophobicContact CB-CZ2 3.88Å; A169-W172 HydrophobicContact CB-CZ3 3.85Å; A169-W172 WeakPolarHBondContact O-CB 3.46Å; A169-W172 VanDerWaalsContact O-CG 3.25Å; A169-W172 PolarHBondContact O-N 3.45Å; W172-T179 WeakPolarHBondContact O-CA 3.47Å; W172-L180 HydrophobicContact CB-CB 4.2Å; W172-L180 HydrophobicContact CB-CD2 4.46Å; W172-L180 HydrophobicContact CE3-CD2 4.33Å; W172-L180 PolarHBondContact O-N 2.66Å
173	T	98.3	Very high	97.8	Very high	103 Å²	103	48.6 Å²	48.6	63%	0.632	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-74.1	124.9	176.4	-50.5	0	0	0	0	110.1	G171	G171-T173 PolarHBondContact O-N 3.19Å
174	L	98.1	Very high	97.8	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78	163.2	174.1	-58.3	177.7	0	0	0	110.5	V117 P118 D176 G177 G178 L180	V117-L174 WeakPolarHBondContact O-CD2 3.48Å; P118-L174 HydrophobicContact CB-CD1 4.03Å; L174-D176 VanDerWaalsContact CB-OD1 3.23Å; L174-D176 WeakPolarHBondContact CB-OD1 3.37Å; L174-D176 PolarHBondContact O-N 3.28Å; L174-G177 PolarHBondContact O-N 2.89Å; L174-G178 PolarHBondContact N-O 2.89Å; L174-L180 HydrophobicContact CD2-CB 3.91Å; L174-L180 HydrophobicContact CD2-CD1 4.49Å
175	K	96	Very high	97.9	Very high	131 Å²	131	41.3 Å²	41.3	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.2	-179.6	-82.3	-162.5	-178.4	163.8	0	114.8	V113 Q114 G177	V113-K175 PolarHBondContact O-N 2.99Å; Q114-K175 VanDerWaalsContact CD-CE 3.48Å; Q114-K175 WeakPolarHBondContact O-CD 3.43Å; Q114-K175 PolarHBondContact O-NZ 2.85Å; K175-G177 PolarHBondContact O-N 2.96Å
176	D	95.7	Very high	97.8	Very high	110 Å²	110	40.8 Å²	40.8	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.9	177.1	63.8	-5.9	0	0	0	112.9	S116 L174 G178	S116-D176 WeakPolarHBondContact CB-OD2 3.34Å; S116-D176 PolarHBondContact OG-N 3.2Å; L174-D176 VanDerWaalsContact CB-OD1 3.23Å; L174-D176 WeakPolarHBondContact CB-OD1 3.37Å; L174-D176 PolarHBondContact O-N 3.28Å; D176-G178 VanDerWaalsContact C-N 3.27Å; D176-G178 PolarHBondContact OD1-N 3.25Å
177	G	96	Very high	97.7	Very high	59 Å²	59	41 Å²	41	61%	0.608	24%	0.243	S	C	*	.	S	Bend	trans	83	-0.6	-175.2	0	0	0	0	0	113.9	L174 K175	L174-G177 PolarHBondContact O-N 2.89Å; K175-G177 PolarHBondContact O-N 2.96Å
178	G	96.7	Very high	97.5	Very high	25 Å²	25	39.4 Å²	39.4	26%	0.258	24%	0.235	S	C	.	.			trans	-68.5	-175.7	172.2	0	0	0	0	0	112.9	L174 D176	L174-G178 PolarHBondContact N-O 2.89Å; D176-G178 VanDerWaalsContact C-N 3.27Å; D176-G178 PolarHBondContact OD1-N 3.25Å
179	T	97.5	Very high	97.2	Very high	51 Å²	51	38.1 Å²	38.1	31%	0.313	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-126.4	136.1	-179.4	-56.9	0	0	0	0	110.4	W172 Y181	W172-T179 WeakPolarHBondContact O-CA 3.47Å; T179-Y181 HydrophobicContact CG2-CD1 3.99Å; T179-Y181 HydrophobicContact CG2-CE1 3.65Å
180	L	98.5	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.			trans	-77.9	122.7	172.7	-176.9	61.7	0	0	0	110.3	L109 C112 V113 V117 F120 A169 G171 W172 L174 T182	L109-L180 HydrophobicContact CD2-CD2 4.33Å; C112-L180 HydrophobicContact CB-CD1 4.48Å; V113-L180 HydrophobicContact CG2-CD2 4.28Å; V117-L180 VanDerWaalsContact O-CD1 3.26Å; V117-L180 WeakPolarHBondContact O-CD1 3.33Å; F120-L180 HydrophobicContact CB-CD1 4.13Å; A169-L180 HydrophobicContact CB-CD2 4.19Å; G171-L180 PolarHBondContact N-O 3.16Å; W172-L180 HydrophobicContact CB-CB 4.2Å; W172-L180 HydrophobicContact CB-CD2 4.46Å; W172-L180 HydrophobicContact CE3-CD2 4.33Å; W172-L180 PolarHBondContact O-N 2.66Å; L174-L180 HydrophobicContact CD2-CB 3.91Å; L174-L180 HydrophobicContact CD2-CD1 4.49Å; L180-T182 HydrophobicContact CD2-CG2 4.19Å; L180-T182 HydrophobicContact CG-CG2 3.99Å
181	Y	98.6	Very high	97.1	Very high	70 Å²	70	37.9 Å²	37.9	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	172	-57.5	-16	0	0	0	109.7	P118 V119 F120 D170 T179 A246 R250	P118-Y181 PolarHBondContact O-N 2.78Å; V119-Y181 WeakPolarHBondContact CA-O 3.49Å; F120-Y181 PolarHBondContact N-O 3.43Å; D170-Y181 WeakPolarHBondContact OD1-CA 3.21Å; T179-Y181 HydrophobicContact CG2-CD1 3.99Å; T179-Y181 HydrophobicContact CG2-CE1 3.65Å; Y181-A246 HydrophobicContact CD2-CB 4.14Å; Y181-A246 HydrophobicContact CE2-CB 4.07Å; Y181-R250 HydrophobicContact CG-CB 4.44Å
182	T	98.7	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.8	-179.1	76.4	0	0	0	0	112.5	F120 V166 A169 D170 L180 R250 G251	F120-T182 HydrophobicContact CB-CG2 4.27Å; F120-T182 CarbonylContact O-C 3.58Å; F120-T182 VanDerWaalsContact O-CA 3.25Å; F120-T182 WeakPolarHBondContact O-CA 3.25Å; V166-T182 HydrophobicContact CG1-CG2 4.34Å; V166-T182 WeakPolarHBondContact O-CG2 3.33Å; V166-T182 PolarHBondContact O-OG1 3.29Å; V166-T182 VanDerWaalsContact O-OG1 3.07Å; A169-T182 HydrophobicContact CB-CG2 4.32Å; D170-T182 HydrophobicContact CB-CG2 4.42Å; D170-T182 WeakPolarHBondContact CB-OG1 3.22Å; D170-T182 PolarHBondContact OD1-N 3.43Å; L180-T182 HydrophobicContact CD2-CG2 4.19Å; L180-T182 HydrophobicContact CG-CG2 3.99Å; T182-R250 CarbonylContact O-C 3.57Å; T182-R250 WeakPolarHBondContact O-CA 3.37Å; T182-G251 PolarHBondContact O-N 3.39Å
183	C	97.9	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.8	171.4	173.7	0	0	0	0	109.9	F120 I121 Y122 L240 Q252	F120-C183 PolarHBondContact O-N 2.98Å; I121-C183 WeakPolarHBondContact CA-O 3.47Å; Y122-C183 PolarHBondContact N-O 2.76Å; C183-L240 HydrophobicContact CB-CD1 3.72Å; C183-Q252 WeakPolarHBondContact CA-O 3.37Å
184	A	98.5	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.7	176.6	0	0	0	0	0	112.2	Y122 E163 L167 Q252 F253 Y254	Y122-A184 HydrophobicContact CD1-CB 4.32Å; Y122-A184 CarbonylContact O-C 3.59Å; Y122-A184 WeakPolarHBondContact O-CA 3.46Å; E163-A184 HydrophobicContact CG-CB 3.83Å; L167-A184 HydrophobicContact CD2-CB 4.14Å; A184-Q252 PolarHBondContact N-O 3.3Å; A184-F253 HydrophobicContact CB-CB 3.96Å; A184-F253 CarbonylContact O-C 3.57Å; A184-F253 WeakPolarHBondContact O-CA 3.38Å; A184-Y254 PolarHBondContact O-N 3.28Å
185	L	98.6	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.9	177.1	-57.4	-174.5	0	0	0	109.4	I121 Y122 T123 S124 P187 A232 H233 A236 Y254 I256 L338	I121-L185 HydrophobicContact CG2-CD1 4.27Å; I121-L185 HydrophobicContact CG2-CG 4.4Å; Y122-L185 PolarHBondContact O-N 2.79Å; T123-L185 CarbonylContact C-O 3.43Å; S124-L185 CarbonylContact C-O 3.46Å; S124-L185 WeakPolarHBondContact CA-O 3.46Å; S124-L185 WeakPolarHBondContact CB-O 3.41Å; S124-L185 PolarHBondContact N-O 2.81Å; L185-P187 VanDerWaalsContact C-CD 3.41Å; L185-P187 WeakPolarHBondContact O-CD 2.8Å; L185-A232 HydrophobicContact CD1-CB 4.17Å; L185-H233 HydrophobicContact CD1-CB 4.32Å; L185-A236 HydrophobicContact CD1-CB 4.2Å; L185-A236 HydrophobicContact CD2-CB 4.36Å; L185-Y254 HydrophobicContact CD2-CD2 4.12Å; L185-Y254 HydrophobicContact CD2-CG 4.48Å; L185-I256 HydrophobicContact CB-CG1 4.02Å; L185-I256 HydrophobicContact CD2-CD1 4.2Å; L185-I256 HydrophobicContact CD2-CG1 4.28Å; L185-L338 HydrophobicContact CD2-CD1 4.21Å
186	R	97.1	Very high	96.3	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.038	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	81.9	177.9	-66.9	180	-177	174.1	3.2	109.5	V128 E163 Y254 Y255 I256	V128-R186 HydrophobicContact CG2-CG 4.12Å; V128-R186 VanDerWaalsContact CG2-CZ 3.4Å; E163-R186 IonicContact OE1-CZ 3.73Å; E163-R186 IonicContact OE1-NE 3.86Å; E163-R186 PolarHBondContact OE1-NE 3.2Å; E163-R186 IonicContact OE1-NH2 3.28Å; E163-R186 PolarHBondContact OE1-NH2 2.98Å; E163-R186 WeakPolarHBondContact OE2-CG 3.27Å; E163-R186 IonicContact OE2-CZ 2.62Å; E163-R186 IonicContact OE2-NE 3.72Å; E163-R186 PolarHBondContact OE2-NE 3.29Å; E163-R186 IonicContact OE2-NH2 3.85Å; R186-Y254 PolarHBondContact N-O 2.81Å; R186-Y255 HydrophobicContact CB-CD1 3.75Å; R186-Y255 HydrophobicContact CB-CE1 4.15Å; R186-Y255 PolarHBondContact NH1-OH 3.13Å; R186-I256 PolarHBondContact O-N 3.34Å
187	P	96.8	Very high	96.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.032	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	144.4	171.9	27.9	-34.2	0	0	0	110.6	T123 I126 L185 I190 V224 V229 I256	T123-P187 HydrophobicContact CG2-CG 4Å; I126-P187 WeakPolarHBondContact CB-O 3.34Å; I126-P187 PolarHBondContact N-O 3.48Å; L185-P187 VanDerWaalsContact C-CD 3.41Å; L185-P187 WeakPolarHBondContact O-CD 2.8Å; P187-I190 HydrophobicContact CB-CD1 3.76Å; P187-I190 HydrophobicContact CB-CG1 3.86Å; P187-I190 HydrophobicContact CG-CD1 3.82Å; P187-I190 HydrophobicContact CG-CG1 4.35Å; P187-V224 HydrophobicContact CB-CG1 4.42Å; P187-V229 HydrophobicContact CB-CG1 3.76Å; P187-V229 HydrophobicContact CB-CG2 3.94Å; P187-V229 HydrophobicContact CG-CG1 4.23Å; P187-I256 WeakPolarHBondContact CA-O 3.43Å
188	T	93.3	Very high	95.9	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	13%	0.132	C	C	.	.			trans	-75.2	-157.8	166.7	62.3	0	0	0	0	110.3	I126 I190 N222 V224 I256	I126-T188 HydrophobicContact CB-CG2 4.4Å; I126-T188 HydrophobicContact CD1-CG2 4Å; I126-T188 HydrophobicContact CG1-CG2 4.15Å; T188-I190 WeakPolarHBondContact O-CG1 3.44Å; T188-I190 PolarHBondContact O-N 2.63Å; T188-N222 WeakPolarHBondContact CB-O 3.19Å; T188-N222 WeakPolarHBondContact CG2-OD1 3.49Å; T188-N222 PolarHBondContact OG1-O 2.99Å; T188-V224 WeakPolarHBondContact OG1-CB 3.43Å; T188-V224 VanDerWaalsContact OG1-CG1 3.31Å; T188-V224 WeakPolarHBondContact OG1-CG1 3.43Å; T188-I256 PolarHBondContact N-O 3.09Å; T188-I256 VanDerWaalsContact N-O 3.12Å
189	Y	92.1	Very high	95.7	Very high	39 Å²	39	25.1 Å²	25.1	15%	0.153	13%	0.128	C	C	.	.	S	Bend	trans	-64.5	107.4	179.5	-179.7	-116.6	0	0	0	111.6	Y191 F197 P223 V224 Y265 L268	Y189-Y191 PolarHBondContact O-N 2.91Å; Y189-F197 HydrophobicContact CE2-CB 4.43Å; Y189-P223 HydrophobicContact CD1-CB 4.23Å; Y189-P223 WeakPolarHBondContact O-CA 3.42Å; Y189-V224 PolarHBondContact O-N 2.79Å; Y189-Y265 AromaticContact CD1-CD1 3.72Å; Y189-Y265 HydrophobicContact CD1-CD1 3.72Å; Y189-Y265 HydrophobicContact CD1-CE1 4.02Å; Y189-Y265 AromaticContact CD2-CD1 3.79Å; Y189-Y265 HydrophobicContact CD2-CD1 3.79Å; Y189-Y265 AromaticContact CD2-CE1 3.58Å; Y189-Y265 HydrophobicContact CD2-CE1 3.58Å; Y189-Y265 AromaticContact CE1-CD1 3.96Å; Y189-Y265 HydrophobicContact CE1-CD1 3.96Å; Y189-Y265 HydrophobicContact CE2-CD1 4.04Å; Y189-Y265 HydrophobicContact CE2-CE1 4.24Å; Y189-Y265 AromaticContact CG-CD1 3.63Å; Y189-Y265 HydrophobicContact CG-CD1 3.63Å; Y189-Y265 AromaticContact CG-CE1 3.45Å; Y189-Y265 HydrophobicContact CG-CE1 3.45Å; Y189-Y265 VanDerWaalsContact CG-CE1 3.45Å; Y189-L268 HydrophobicContact CD1-CD2 3.94Å; Y189-L268 HydrophobicContact CE1-CD2 3.74Å
190	I	96.6	Very high	95.4	Very high	31 Å²	31	24.6 Å²	24.6	16%	0.159	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.1	-177.1	-43.9	-177.3	0	0	0	110.4	F14 L15 P187 T188 V224 V226 V229	F14-I190 HydrophobicContact CD1-CG2 4.38Å; F14-I190 HydrophobicContact CE1-CB 4.08Å; F14-I190 HydrophobicContact CE1-CG2 3.58Å; F14-I190 HydrophobicContact CZ-CG2 4.24Å; L15-I190 HydrophobicContact CD2-CD1 4.28Å; P187-I190 HydrophobicContact CB-CD1 3.76Å; P187-I190 HydrophobicContact CB-CG1 3.86Å; P187-I190 HydrophobicContact CG-CD1 3.82Å; P187-I190 HydrophobicContact CG-CG1 4.35Å; T188-I190 WeakPolarHBondContact O-CG1 3.44Å; T188-I190 PolarHBondContact O-N 2.63Å; I190-V224 VanDerWaalsContact CA-O 3.31Å; I190-V224 WeakPolarHBondContact CA-O 3.5Å; I190-V224 HydrophobicContact CG1-CG1 4.14Å; I190-V226 HydrophobicContact CG2-CB 3.61Å; I190-V226 HydrophobicContact CG2-CG2 3.88Å; I190-V229 HydrophobicContact CD1-CG1 4.16Å; I190-V229 HydrophobicContact CD1-CG2 4.24Å; I190-V229 HydrophobicContact CG1-CG2 4.19Å; I190-V229 HydrophobicContact CG2-CG2 4.21Å
191	Y	97.4	Very high	95.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	166.1	172.5	80.8	-82.9	0	0	0	111.4	Y189 P223 V224 Y225 V226 T260 L268 L272 W346 A349 T353	Y189-Y191 PolarHBondContact O-N 2.91Å; Y191-P223 HydrophobicContact CD1-CB 3.8Å; Y191-P223 HydrophobicContact CE1-CB 4.16Å; Y191-V224 VanDerWaalsContact CD1-C 3.46Å; Y191-V224 WeakPolarHBondContact CD1-O 3.32Å; Y191-V224 VanDerWaalsContact CE1-C 3.43Å; Y191-V224 PolarHBondContact N-O 3.49Å; Y191-Y225 HydrophobicContact CD2-CD2 4.44Å; Y191-Y225 AromaticContact CE2-CD2 3.99Å; Y191-Y225 HydrophobicContact CE2-CD2 3.99Å; Y191-V226 PolarHBondContact O-N 3.42Å; Y191-T260 HydrophobicContact CE1-CG2 4.01Å; Y191-T260 WeakPolarHBondContact CE1-OG1 3.39Å; Y191-T260 PolarHBondContact OH-OG1 3.35Å; Y191-L268 HydrophobicContact CD1-CD2 4.12Å; Y191-L268 HydrophobicContact CG-CD2 3.95Å; Y191-L272 HydrophobicContact CD2-CD1 3.98Å; Y191-W346 HydrophobicContact CE1-CZ3 4.46Å; Y191-W346 HydrophobicContact CE2-CZ3 4.09Å; Y191-W346 AromaticContact CZ-CZ3 3.71Å; Y191-W346 VanDerWaalsContact OH-CZ3 3.27Å; Y191-W346 WeakPolarHBondContact OH-CZ3 3.47Å; Y191-A349 HydrophobicContact CE2-CB 4.38Å; Y191-A349 VanDerWaalsContact OH-CB 3.26Å; Y191-A349 WeakPolarHBondContact OH-CB 3.33Å; Y191-T353 HydrophobicContact CD2-CG2 4.3Å
192	G	97.4	Very high	94.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	138.5	-175.9	-179.5	0	0	0	0	0	112.8	G194 S195	G192-G194 PolarHBondContact O-N 3.22Å; G192-S195 VanDerWaalsContact O-CB 3.26Å; G192-S195 WeakPolarHBondContact O-CB 3.24Å; G192-S195 PolarHBondContact O-N 2.85Å; G192-S195 VanDerWaalsContact O-N 3.11Å
193	E	96.2	Very high	94.5	Very high	31 Å²	31	24.9 Å²	24.9	15%	0.145	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	121.7	-173.1	-31.9	89	140	0	0	110.9	F14 R18 Y225 K352 W356	F14-E193 WeakPolarHBondContact CE2-O 3.38Å; R18-E193 IonicContact CZ-OE2 3.01Å; R18-E193 IonicContact NE-OE2 3.52Å; R18-E193 PolarHBondContact NH2-O 3.43Å; R18-E193 IonicContact NH2-OE2 3.12Å; R18-E193 PolarHBondContact NH2-OE2 3.04Å; E193-Y225 PolarHBondContact OE1-OH 3.29Å; E193-Y225 PolarHBondContact OE2-OH 3.46Å; E193-K352 HydrophobicContact CG-CB 4.42Å; E193-K352 WeakPolarHBondContact CG-O 3.45Å; E193-K352 WeakPolarHBondContact OE1-CB 3.32Å; E193-W356 HydrophobicContact CB-CB 3.64Å; E193-W356 HydrophobicContact CB-CD2 3.9Å; E193-W356 HydrophobicContact CB-CE3 4.43Å; E193-W356 HydrophobicContact CB-CG 3.51Å; E193-W356 HydrophobicContact CG-CB 3.66Å; E193-W356 HydrophobicContact CG-CG 4.12Å
194	G	92.9	Very high	94.1	Very high	28 Å²	28	29.9 Å²	29.9	29%	0.289	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	4.9	-173.9	0	0	0	0	0	113.9	F14 G192 Q196 W356	F14-G194 WeakPolarHBondContact CD2-O 3.44Å; G192-G194 PolarHBondContact O-N 3.22Å; G194-Q196 PolarHBondContact O-N 3.36Å; G194-W356 VanDerWaalsContact CA-CZ2 3.43Å
195	S	95.2	Very high	93.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	16%	0.163	C	C	.	.			trans	-61.4	118.3	172	172.4	0	0	0	0	110.3	F14 G192 F197 L198 S199 W356	F14-S195 VanDerWaalsContact CE2-N 3.29Å; G192-S195 VanDerWaalsContact O-CB 3.26Å; G192-S195 WeakPolarHBondContact O-CB 3.24Å; G192-S195 PolarHBondContact O-N 2.85Å; G192-S195 VanDerWaalsContact O-N 3.11Å; S195-F197 VanDerWaalsContact C-N 3.3Å; S195-F197 PolarHBondContact O-N 3.11Å; S195-L198 PolarHBondContact OG-N 2.89Å; S195-S199 WeakPolarHBondContact O-CB 3.23Å; S195-S199 PolarHBondContact O-N 3.24Å; S195-W356 WeakPolarHBondContact O-CH2 3.41Å
196	Q	91.3	Very high	93.5	Very high	150 Å²	150	31.4 Å²	31.4	70%	0.701	17%	0.171	S	C	*	.	H	α-helix	trans	-66.7	-33.9	179.9	-63.6	-176.7	7.3	0	0	111.9	G194 A200	G194-Q196 PolarHBondContact O-N 3.36Å; Q196-A200 VanDerWaalsContact O-CB 3.23Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 2.91Å
197	F	89.8	Confident	93.3	Very high	75 Å²	75	36.6 Å²	36.6	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-68.5	-47.8	177.6	-65.8	-63.2	0	0	0	111.9	I86 V88 F89 Y189 S195 A200 G201	I86-F197 HydrophobicContact CG2-CE2 4.4Å; I86-F197 HydrophobicContact CG2-CZ 3.9Å; V88-F197 HydrophobicContact CG1-CE1 4.41Å; V88-F197 HydrophobicContact CG1-CZ 4.33Å; V88-F197 HydrophobicContact CG2-CD1 4.4Å; V88-F197 HydrophobicContact CG2-CE1 3.57Å; V88-F197 HydrophobicContact CG2-CZ 4.27Å; F89-F197 HydrophobicContact CE2-CE1 4.37Å; Y189-F197 HydrophobicContact CE2-CB 4.43Å; S195-F197 VanDerWaalsContact C-N 3.3Å; S195-F197 PolarHBondContact O-N 3.11Å; F197-A200 PolarHBondContact O-N 2.98Å; F197-G201 PolarHBondContact O-N 2.82Å
198	L	92.8	Very high	93	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-47.9	176.4	-179.8	55.6	0	0	0	110.3	S195 A200 G201 I202 N269 L272 T353 W356 V357	S195-L198 PolarHBondContact OG-N 2.89Å; L198-A200 VanDerWaalsContact C-N 3.33Å; L198-A200 PolarHBondContact O-N 2.58Å; L198-G201 PolarHBondContact O-N 2.82Å; L198-I202 HydrophobicContact CD1-CD1 4.19Å; L198-I202 HydrophobicContact CD1-CG1 3.96Å; L198-I202 HydrophobicContact CG-CG1 4.35Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 3.05Å; L198-N269 HydrophobicContact CD1-CB 4.28Å; L198-N269 VanDerWaalsContact CD1-OD1 3.32Å; L198-N269 WeakPolarHBondContact CD1-OD1 3.47Å; L198-L272 HydrophobicContact CD2-CD1 3.82Å; L198-T353 HydrophobicContact CD2-CG2 3.66Å; L198-W356 HydrophobicContact CB-CZ3 4.38Å; L198-W356 HydrophobicContact CD2-CE3 4.49Å; L198-W356 HydrophobicContact CD2-CZ3 3.86Å; L198-W356 HydrophobicContact CG-CZ3 4.06Å; L198-V357 HydrophobicContact CD2-CG2 4.13Å; L198-V357 HydrophobicContact CG-CG2 4.43Å
199	S	93.4	Very high	92.8	Very high	25 Å²	25	46.4 Å²	46.4	18%	0.175	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-42.6	177.9	-177.6	0	0	0	0	112.6	S195 I202 N203	S195-S199 WeakPolarHBondContact O-CB 3.23Å; S195-S199 PolarHBondContact O-N 3.24Å; S199-I202 PolarHBondContact O-N 3.24Å; S199-N203 WeakPolarHBondContact O-CB 3.29Å; S199-N203 PolarHBondContact O-N 2.93Å; S199-N203 PolarHBondContact O-ND2 2.9Å; S199-N203 VanDerWaalsContact O-ND2 3.13Å; S199-N203 PolarHBondContact OG-ND2 3.2Å
200	A	90.9	Very high	92.6	Very high	41 Å²	41	45.2 Å²	45.2	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-45.8	176.6	0	0	0	0	0	111.8	Q196 F197 L198 N203 E204	Q196-A200 VanDerWaalsContact O-CB 3.23Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 2.91Å; F197-A200 PolarHBondContact O-N 2.98Å; L198-A200 VanDerWaalsContact C-N 3.33Å; L198-A200 PolarHBondContact O-N 2.58Å; A200-N203 PolarHBondContact O-N 2.94Å; A200-E204 WeakPolarHBondContact O-CB 3.47Å; A200-E204 PolarHBondContact O-N 3.32Å
201	G	90.6	Very high	92.4	Very high	18 Å²	18	46.1 Å²	46.1	19%	0.186	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-41.1	178	0	0	0	0	0	113.3	F197 L198 A205	F197-G201 PolarHBondContact O-N 2.82Å; L198-G201 PolarHBondContact O-N 2.82Å; G201-A205 WeakPolarHBondContact O-CB 3.31Å; G201-A205 PolarHBondContact O-N 2.94Å
202	I	93	Very high	92	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-46.1	175.5	-62.3	-59.5	0	0	0	110.8	L198 S199 E204 A205 L206 L212 S273 L278 V357 L360	L198-I202 HydrophobicContact CD1-CD1 4.19Å; L198-I202 HydrophobicContact CD1-CG1 3.96Å; L198-I202 HydrophobicContact CG-CG1 4.35Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 3.05Å; S199-I202 PolarHBondContact O-N 3.24Å; I202-E204 PolarHBondContact O-N 3.28Å; I202-A205 PolarHBondContact O-N 2.86Å; I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 VanDerWaalsContact O-CG 3.28Å; I202-L206 WeakPolarHBondContact O-CG 3.4Å; I202-L206 PolarHBondContact O-N 3.29Å; I202-L212 HydrophobicContact CD1-CD2 4.29Å; I202-S273 VanDerWaalsContact CD1-CB 3.41Å; I202-L278 HydrophobicContact CD1-CD2 3.73Å; I202-L278 HydrophobicContact CG2-CD2 4.27Å; I202-V357 HydrophobicContact CD1-CG1 4.14Å; I202-V357 HydrophobicContact CG1-CG1 4.25Å; I202-V357 HydrophobicContact CG2-CG1 4.37Å; I202-L360 HydrophobicContact CB-CD1 4.42Å; I202-L360 HydrophobicContact CG2-CB 4.44Å; I202-L360 HydrophobicContact CG2-CD1 4.36Å
203	N	92.6	Very high	91.3	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-38.8	179.3	-72.5	-29.1	0	0	0	112.3	S199 A200 L206 N207	S199-N203 WeakPolarHBondContact O-CB 3.29Å; S199-N203 PolarHBondContact O-N 2.93Å; S199-N203 PolarHBondContact O-ND2 2.9Å; S199-N203 VanDerWaalsContact O-ND2 3.13Å; S199-N203 PolarHBondContact OG-ND2 3.2Å; A200-N203 PolarHBondContact O-N 2.94Å; N203-L206 PolarHBondContact O-N 3.05Å; N203-N207 VanDerWaalsContact O-CG 3.32Å; N203-N207 PolarHBondContact O-N 2.88Å; N203-N207 VanDerWaalsContact O-N 3.07Å; N203-N207 PolarHBondContact O-ND2 3.46Å
204	E	90.4	Very high	90.5	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-46.8	173	-175.2	-179.2	161.3	0	0	110.9	A200 I202 N207 N208	A200-E204 WeakPolarHBondContact O-CB 3.47Å; A200-E204 PolarHBondContact O-N 3.32Å; I202-E204 PolarHBondContact O-N 3.28Å; E204-N207 PolarHBondContact O-N 3.15Å; E204-N208 VanDerWaalsContact O-CB 3.31Å; E204-N208 WeakPolarHBondContact O-CB 3.16Å; E204-N208 PolarHBondContact O-N 2.74Å; E204-N208 VanDerWaalsContact O-N 3.07Å
205	A	92	Very high	89.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-43.5	177.9	0	0	0	0	0	112.7	G201 I202 N207 N208 N209 G210 I211 L212 L278	G201-A205 WeakPolarHBondContact O-CB 3.31Å; G201-A205 PolarHBondContact O-N 2.94Å; I202-A205 PolarHBondContact O-N 2.86Å; A205-N207 VanDerWaalsContact C-N 3.29Å; A205-N207 PolarHBondContact O-N 3.21Å; A205-N208 CarbonylContact O-C 3.18Å; A205-N208 WeakPolarHBondContact O-CA 3.41Å; A205-N208 PolarHBondContact O-N 2.81Å; A205-N209 PolarHBondContact O-N 3.15Å; A205-G210 WeakPolarHBondContact O-CA 3.39Å; A205-G210 PolarHBondContact O-N 2.78Å; A205-I211 WeakPolarHBondContact CA-O 3.08Å; A205-I211 WeakPolarHBondContact CB-O 3.32Å; A205-I211 PolarHBondContact O-N 3.23Å; A205-L212 HydrophobicContact CB-CD2 3.69Å; A205-L212 HydrophobicContact CB-CG 3.94Å; A205-L278 HydrophobicContact CB-CD2 3.79Å
206	L	92.6	Very high	88.2	Confident	32 Å²	32	49.8 Å²	49.8	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-39.3	177.5	-70.7	171.7	0	0	0	112	I202 N203 N208 L278 V361 H364	I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 VanDerWaalsContact O-CG 3.28Å; I202-L206 WeakPolarHBondContact O-CG 3.4Å; I202-L206 PolarHBondContact O-N 3.29Å; N203-L206 PolarHBondContact O-N 3.05Å; L206-N208 PolarHBondContact O-N 3.4Å; L206-L278 HydrophobicContact CD2-CD1 4.41Å; L206-V361 HydrophobicContact CD1-CG2 4.22Å; L206-V361 HydrophobicContact CD2-CG1 4.4Å; L206-V361 HydrophobicContact CD2-CG2 4.29Å; L206-H364 HydrophobicContact CD1-CB 3.79Å
207	N	91.3	Very high	87.1	Confident	119 Å²	119	48.1 Å²	48.1	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-71.8	-15.8	173.4	-69.7	-42.1	0	0	0	113.6	N203 E204 A205 H364	N203-N207 VanDerWaalsContact O-CG 3.32Å; N203-N207 PolarHBondContact O-N 2.88Å; N203-N207 VanDerWaalsContact O-N 3.07Å; N203-N207 PolarHBondContact O-ND2 3.46Å; E204-N207 PolarHBondContact O-N 3.15Å; A205-N207 VanDerWaalsContact C-N 3.29Å; A205-N207 PolarHBondContact O-N 3.21Å; N207-H364 PolarHBondContact OD1-CE1 2.93Å; N207-H364 VanDerWaalsContact OD1-CE1 3.28Å
208	N	90.4	Very high	86.2	Confident	66 Å²	66	51.4 Å²	51.4	35%	0.353	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	47.9	-177.6	-172.5	36.1	0	0	0	111.3	E204 A205 L206 G210 I211	E204-N208 VanDerWaalsContact O-CB 3.31Å; E204-N208 WeakPolarHBondContact O-CB 3.16Å; E204-N208 PolarHBondContact O-N 2.74Å; E204-N208 VanDerWaalsContact O-N 3.07Å; A205-N208 CarbonylContact O-C 3.18Å; A205-N208 WeakPolarHBondContact O-CA 3.41Å; A205-N208 PolarHBondContact O-N 2.81Å; L206-N208 PolarHBondContact O-N 3.4Å; N208-G210 PolarHBondContact O-N 3.01Å; N208-I211 WeakPolarHBondContact O-CB 3.5Å; N208-I211 WeakPolarHBondContact O-CG1 3.41Å; N208-I211 PolarHBondContact O-N 3.27Å
209	N	88.9	Confident	85.7	Confident	153 Å²	153	51.8 Å²	51.8	82%	0.818	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.9	176.1	-59.6	-28.8	0	0	0	114.7	A205 I211	A205-N209 PolarHBondContact O-N 3.15Å; N209-I211 VanDerWaalsContact C-N 3.33Å
210	G	89.7	Confident	85.5	Confident	15 Å²	15	53.1 Å²	53.1	16%	0.155	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	13.7	-178.7	0	0	0	0	0	114.6	A205 N208 L278 R279	A205-G210 WeakPolarHBondContact O-CA 3.39Å; A205-G210 PolarHBondContact O-N 2.78Å; N208-G210 PolarHBondContact O-N 3.01Å; G210-L278 WeakPolarHBondContact O-CA 3.45Å; G210-R279 PolarHBondContact O-N 2.73Å
211	I	91.6	Very high	85.4	Confident	49 Å²	49	51.3 Å²	51.3	25%	0.251	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.5	-177.5	-57.4	173.4	0	0	0	110.4	A205 N208 N209 R279 D281	A205-I211 WeakPolarHBondContact CA-O 3.08Å; A205-I211 WeakPolarHBondContact CB-O 3.32Å; A205-I211 PolarHBondContact O-N 3.23Å; N208-I211 WeakPolarHBondContact O-CB 3.5Å; N208-I211 WeakPolarHBondContact O-CG1 3.41Å; N208-I211 PolarHBondContact O-N 3.27Å; N209-I211 VanDerWaalsContact C-N 3.33Å; I211-R279 WeakPolarHBondContact CA-O 3.42Å; I211-D281 HydrophobicContact CG2-CB 3.63Å
212	L	88.2	Confident	85.5	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.5	171.5	-70.4	162	0	0	0	110.2	I202 A205 S214 Y270 L278 R279 L280 D281	I202-L212 HydrophobicContact CD1-CD2 4.29Å; A205-L212 HydrophobicContact CB-CD2 3.69Å; A205-L212 HydrophobicContact CB-CG 3.94Å; L212-S214 PolarHBondContact O-N 3.16Å; L212-Y270 HydrophobicContact CD1-CD2 4.42Å; L212-L278 HydrophobicContact CD1-CB 4.07Å; L212-L278 HydrophobicContact CD1-CD2 4.45Å; L212-L278 HydrophobicContact CD2-CD2 4.04Å; L212-L278 HydrophobicContact CG-CB 4.33Å; L212-L278 HydrophobicContact CG-CD2 4.17Å; L212-R279 PolarHBondContact N-O 3.45Å; L212-L280 HydrophobicContact CB-CD2 4.11Å; L212-L280 HydrophobicContact CD1-CD2 4.46Å; L212-D281 WeakPolarHBondContact O-CB 3.23Å; L212-D281 PolarHBondContact O-N 2.82Å
213	S	82.8	Confident	85.6	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	27%	0.269	S	S	.	.			trans	-59.4	131	172.4	-170.9	0	0	0	0	110.3
214	S	79.6	Confident	85.8	Confident	42 Å²	42	47.9 Å²	47.9	29%	0.294	26%	0.255	S	S	.	.			trans	-120.7	110.6	178.3	-177.4	0	0	0	0	108.9	L212 D266	L212-S214 PolarHBondContact O-N 3.16Å; S214-D266 WeakPolarHBondContact CA-OD2 3.29Å
215	I	72.5	Confident	86.2	Confident	32 Å²	32	43.1 Å²	43.1	16%	0.164	23%	0.232	C	C	.	.			trans	-112.2	-24.1	-178.5	-55.6	176.3	0	0	0	110.1	D266 F315 N324	I215-D266 PolarHBondContact N-OD2 3.24Å; I215-F315 HydrophobicContact CD1-CB 4.39Å; I215-N324 PolarHBondContact O-ND2 2.9Å; I215-N324 PolarHBondContact O-OD1 3.32Å
216	G	68.8	Low	86.5	Confident	6 Å²	6	43 Å²	43	6%	0.062	23%	0.232	C	C	.	.			trans	-98.6	108.9	-177.8	0	0	0	0	0	113.4	D266 S323	G216-D266 PolarHBondContact N-OD2 2.84Å; G216-S323 WeakPolarHBondContact CA-O 3.34Å
217	K	66.8	Low	86.8	Confident	114 Å²	114	41.7 Å²	41.7	50%	0.496	23%	0.226	S	C	.	.	S	Bend	trans	-89.8	-30.9	173.2	-79.9	-175.7	174.5	161.3	0	114	S285 N324	K217-S285 WeakPolarHBondContact CE-OG 3.33Å; K217-S285 PolarHBondContact NZ-O 2.78Å; K217-S285 PolarHBondContact NZ-OG 2.89Å; K217-N324 PolarHBondContact N-OD1 2.89Å
218	F	70.6	Confident	87.2	Confident	145 Å²	145	36 Å²	36	64%	0.636	20%	0.196	S	C	*	.	S	Bend	trans	-124.6	7.8	-166.7	-53.3	-74.2	0	0	0	113.1
219	S	83.3	Confident	87.6	Confident	8 Å²	8	32.9 Å²	32.9	6%	0.056	18%	0.179	C	C	.	.			trans	-76.7	137.4	-178.7	45.1	0	0	0	0	112.4	S264 S323 S325	S219-S264 WeakPolarHBondContact O-CB 3.33Å; S219-S264 WeakPolarHBondContact OG-CB 3.15Å; S219-S323 WeakPolarHBondContact CB-O 3.45Å; S219-S323 PolarHBondContact OG-O 3.26Å; S219-S325 VanDerWaalsContact CA-O 3.29Å; S219-S325 WeakPolarHBondContact CA-O 3.4Å; S219-S325 WeakPolarHBondContact CB-O 3.34Å
220	T	88.6	Confident	88	Confident	53 Å²	53	25.6 Å²	25.6	33%	0.325	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.5	166.5	-61.4	0	0	0	0	107	H262 S325 V326 F327 T328	T220-H262 HydrophobicContact CG2-CB 3.87Å; T220-S325 PolarHBondContact N-O 3Å; T220-V326 WeakPolarHBondContact O-CA 3.4Å; T220-F327 PolarHBondContact O-N 2.9Å; T220-T328 HydrophobicContact CG2-CG2 4.14Å
221	V	89.6	Confident	88.5	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	165.1	175.7	-60.8	0	0	0	0	109.1	P223 H262 Q263 Y265	V221-P223 HydrophobicContact CG2-CG 4.38Å; V221-P223 WeakPolarHBondContact O-CD 3.4Å; V221-H262 CarbonylContact O-C 3.58Å; V221-H262 VanDerWaalsContact O-CA 3.23Å; V221-H262 WeakPolarHBondContact O-CA 3.48Å; V221-Q263 WeakPolarHBondContact CG2-O 3.11Å; V221-Q263 PolarHBondContact N-O 3.07Å; V221-Q263 PolarHBondContact O-N 3.27Å; V221-Q263 VanDerWaalsContact O-O 3.11Å; V221-Y265 HydrophobicContact CB-CE2 4.49Å; V221-Y265 HydrophobicContact CG1-CE2 3.68Å; V221-Y265 HydrophobicContact CG2-CD1 4.29Å; V221-Y265 HydrophobicContact CG2-CD2 4.31Å; V221-Y265 HydrophobicContact CG2-CE1 4.09Å; V221-Y265 HydrophobicContact CG2-CE2 4.07Å; V221-Y265 HydrophobicContact CG2-CG 4.41Å
222	N	92.8	Very high	88.8	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.011	13%	0.129	C	C	.	.			trans	-111.9	87.9	175.1	59	-34.3	0	0	0	109.5	T188 S257 H262 T328 F329	T188-N222 WeakPolarHBondContact CB-O 3.19Å; T188-N222 WeakPolarHBondContact CG2-OD1 3.49Å; T188-N222 PolarHBondContact OG1-O 2.99Å; N222-S257 WeakPolarHBondContact ND2-CB 3.44Å; N222-S257 PolarHBondContact ND2-OG 3.23Å; N222-S257 VanDerWaalsContact ND2-OG 3.12Å; N222-H262 VanDerWaalsContact CB-CD2 3.41Å; N222-H262 WeakPolarHBondContact CB-CD2 3.22Å; N222-H262 WeakPolarHBondContact CB-NE2 3.19Å; N222-T328 HydrophobicContact CB-CG2 4.34Å; N222-T328 WeakPolarHBondContact OD1-CA 3.41Å; N222-F329 PolarHBondContact ND2-N 2.65Å; N222-F329 PolarHBondContact ND2-O 3.03Å
223	P	94.7	Very high	89.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.			trans	-57.9	160.8	177.7	-19.7	31.8	0	0	0	111.8	Y189 Y191 V221 T260 Q263 L268	Y189-P223 HydrophobicContact CD1-CB 4.23Å; Y189-P223 WeakPolarHBondContact O-CA 3.42Å; Y191-P223 HydrophobicContact CD1-CB 3.8Å; Y191-P223 HydrophobicContact CE1-CB 4.16Å; V221-P223 HydrophobicContact CG2-CG 4.38Å; V221-P223 WeakPolarHBondContact O-CD 3.4Å; P223-T260 HydrophobicContact CB-CG2 3.96Å; P223-T260 HydrophobicContact CG-CG2 4.15Å; P223-T260 WeakPolarHBondContact O-CB 3.49Å; P223-Q263 HydrophobicContact CG-CG 4.45Å; P223-L268 HydrophobicContact CB-CD2 3.74Å; P223-L268 HydrophobicContact CG-CD1 4.4Å; P223-L268 HydrophobicContact CG-CD2 3.78Å; P223-L268 HydrophobicContact CG-CG 4.5Å
224	V	97.6	Very high	90.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.2	177.9	63.8	0	0	0	0	110.5	P187 T188 Y189 I190 Y191 N228 V229 D258	P187-V224 HydrophobicContact CB-CG1 4.42Å; T188-V224 WeakPolarHBondContact OG1-CB 3.43Å; T188-V224 VanDerWaalsContact OG1-CG1 3.31Å; T188-V224 WeakPolarHBondContact OG1-CG1 3.43Å; Y189-V224 PolarHBondContact O-N 2.79Å; I190-V224 VanDerWaalsContact CA-O 3.31Å; I190-V224 WeakPolarHBondContact CA-O 3.5Å; I190-V224 HydrophobicContact CG1-CG1 4.14Å; Y191-V224 VanDerWaalsContact CD1-C 3.46Å; Y191-V224 WeakPolarHBondContact CD1-O 3.32Å; Y191-V224 VanDerWaalsContact CE1-C 3.43Å; Y191-V224 PolarHBondContact N-O 3.49Å; V224-N228 HydrophobicContact CG2-CB 4.33Å; V224-V229 HydrophobicContact CB-CG2 4.12Å; V224-V229 HydrophobicContact CG1-CG2 3.4Å; V224-V229 HydrophobicContact CG2-CG2 3.58Å; V224-D258 HydrophobicContact CG2-CB 4.24Å; V224-D258 WeakPolarHBondContact CG2-OD2 3.28Å
225	Y	98.5	Very high	91	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.7	177.9	-179.2	-121.4	0	0	0	110.9	Y191 E193 G227 N228 V229 D258 Y344 A349	Y191-Y225 HydrophobicContact CD2-CD2 4.44Å; Y191-Y225 AromaticContact CE2-CD2 3.99Å; Y191-Y225 HydrophobicContact CE2-CD2 3.99Å; E193-Y225 PolarHBondContact OE1-OH 3.29Å; E193-Y225 PolarHBondContact OE2-OH 3.46Å; Y225-G227 PolarHBondContact O-N 3.42Å; Y225-G227 VanDerWaalsContact O-N 3.13Å; Y225-N228 WeakPolarHBondContact O-CA 3.45Å; Y225-N228 WeakPolarHBondContact O-CB 3.35Å; Y225-N228 PolarHBondContact O-N 3.38Å; Y225-V229 PolarHBondContact O-N 3.18Å; Y225-D258 WeakPolarHBondContact CB-OD2 3.42Å; Y225-D258 PolarHBondContact N-OD2 3.16Å; Y225-Y344 AromaticContact CD1-CD2 3.68Å; Y225-Y344 HydrophobicContact CD1-CD2 3.68Å; Y225-Y344 AromaticContact CD1-CG 3.96Å; Y225-Y344 HydrophobicContact CD1-CG 3.96Å; Y225-Y344 HydrophobicContact CE1-CD1 4.42Å; Y225-Y344 AromaticContact CE1-CD2 3.48Å; Y225-Y344 HydrophobicContact CE1-CD2 3.48Å; Y225-Y344 VanDerWaalsContact CE1-CD2 3.48Å; Y225-Y344 HydrophobicContact CE1-CE2 4.02Å; Y225-Y344 AromaticContact CE1-CG 3.69Å; Y225-Y344 HydrophobicContact CE1-CG 3.69Å; Y225-A349 HydrophobicContact CD1-CB 3.83Å; Y225-A349 HydrophobicContact CD2-CB 3.6Å; Y225-A349 HydrophobicContact CE1-CB 4.28Å; Y225-A349 HydrophobicContact CE2-CB 4.07Å; Y225-A349 HydrophobicContact CG-CB 3.46Å; Y225-A349 VanDerWaalsContact CG-CB 3.46Å
226	V	98.5	Very high	92.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.6	-34.3	-178.3	67.4	0	0	0	0	113.3	F14 L15 R18 I190 Y191 N228 V229 A230	F14-V226 HydrophobicContact CD1-CG2 4.22Å; F14-V226 HydrophobicContact CD2-CG2 4.24Å; F14-V226 HydrophobicContact CE1-CB 3.96Å; F14-V226 HydrophobicContact CE1-CG2 3.86Å; F14-V226 HydrophobicContact CE2-CB 3.92Å; F14-V226 HydrophobicContact CE2-CG1 3.83Å; F14-V226 HydrophobicContact CE2-CG2 3.85Å; F14-V226 HydrophobicContact CG-CG2 4.4Å; F14-V226 HydrophobicContact CZ-CB 3.46Å; F14-V226 VanDerWaalsContact CZ-CB 3.46Å; F14-V226 HydrophobicContact CZ-CG1 3.76Å; F14-V226 HydrophobicContact CZ-CG2 3.66Å; L15-V226 HydrophobicContact CB-CG2 4.49Å; L15-V226 HydrophobicContact CD1-CG2 4.01Å; R18-V226 HydrophobicContact CB-CG2 4.23Å; R18-V226 HydrophobicContact CG-CG1 4.01Å; R18-V226 HydrophobicContact CG-CG2 3.79Å; I190-V226 HydrophobicContact CG2-CB 3.61Å; I190-V226 HydrophobicContact CG2-CG2 3.88Å; Y191-V226 PolarHBondContact O-N 3.42Å; V226-N228 VanDerWaalsContact C-N 3.34Å; V226-V229 PolarHBondContact O-N 2.92Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.96Å
227	G	98.4	Very high	93.6	Very high	4 Å²	4	19 Å²	19	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-36.2	175.7	0	0	0	0	0	112.7	Y225 A230 W231	Y225-G227 PolarHBondContact O-N 3.42Å; Y225-G227 VanDerWaalsContact O-N 3.13Å; G227-A230 PolarHBondContact O-N 3.38Å; G227-W231 WeakPolarHBondContact O-CB 3.37Å; G227-W231 PolarHBondContact O-N 2.95Å
228	N	98.7	Very high	95	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.4	-38.4	176.5	-70.6	-24.8	0	0	0	111.4	V224 Y225 V226 W231 A232 D258 L343 Y344	V224-N228 HydrophobicContact CG2-CB 4.33Å; Y225-N228 WeakPolarHBondContact O-CA 3.45Å; Y225-N228 WeakPolarHBondContact O-CB 3.35Å; Y225-N228 PolarHBondContact O-N 3.38Å; V226-N228 VanDerWaalsContact C-N 3.34Å; N228-W231 WeakPolarHBondContact O-CB 3.44Å; N228-W231 PolarHBondContact O-N 3.26Å; N228-A232 PolarHBondContact O-N 3.44Å; N228-D258 HydrophobicContact CB-CB 4.41Å; N228-D258 PolarHBondContact ND2-OD2 2.97Å; N228-L343 PolarHBondContact OD1-N 3.37Å; N228-Y344 PolarHBondContact ND2-O 3.46Å; N228-Y344 PolarHBondContact OD1-N 2.92Å
229	V	98.8	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-44.7	171.9	-176.4	0	0	0	0	111.3	L15 P187 I190 V224 Y225 V226 W231 A232 H233 I256	L15-V229 HydrophobicContact CD1-CB 3.88Å; L15-V229 HydrophobicContact CD1-CG1 3.67Å; L15-V229 HydrophobicContact CD2-CG1 3.86Å; L15-V229 HydrophobicContact CG-CG1 4.44Å; P187-V229 HydrophobicContact CB-CG1 3.76Å; P187-V229 HydrophobicContact CB-CG2 3.94Å; P187-V229 HydrophobicContact CG-CG1 4.23Å; I190-V229 HydrophobicContact CD1-CG1 4.16Å; I190-V229 HydrophobicContact CD1-CG2 4.24Å; I190-V229 HydrophobicContact CG1-CG2 4.19Å; I190-V229 HydrophobicContact CG2-CG2 4.21Å; V224-V229 HydrophobicContact CB-CG2 4.12Å; V224-V229 HydrophobicContact CG1-CG2 3.4Å; V224-V229 HydrophobicContact CG2-CG2 3.58Å; Y225-V229 PolarHBondContact O-N 3.18Å; V226-V229 PolarHBondContact O-N 2.92Å; V229-W231 VanDerWaalsContact C-N 3.28Å; V229-W231 PolarHBondContact O-N 2.88Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 3.29Å; V229-H233 PolarHBondContact O-N 2.88Å; V229-H233 PolarHBondContact O-ND1 3.4Å; V229-I256 HydrophobicContact CG2-CG2 4.32Å
230	A	98.8	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.3	-41.6	175.9	0	0	0	0	0	111.2	L15 R18 I19 L22 V226 G227 A232 H233 I234	L15-A230 HydrophobicContact CD1-CB 4.19Å; R18-A230 HydrophobicContact CB-CB 3.78Å; I19-A230 HydrophobicContact CG1-CB 3.77Å; L22-A230 HydrophobicContact CD1-CB 3.73Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.96Å; G227-A230 PolarHBondContact O-N 3.38Å; A230-A232 VanDerWaalsContact C-N 3.34Å; A230-A232 PolarHBondContact O-N 3.3Å; A230-H233 WeakPolarHBondContact O-CB 3.48Å; A230-H233 PolarHBondContact O-N 3.19Å; A230-H233 VanDerWaalsContact O-N 3.1Å; A230-I234 PolarHBondContact O-N 3.28Å
231	W	98.7	Very high	97.2	Very high	46 Å²	46	12 Å²	12	17%	0.174	5%	0.052	C	C	.	.	H	α-helix	trans	-61.3	-39.1	175.5	-179.7	-126.1	0	0	0	113.3	L22 G227 N228 V229 H233 I234 L235 K341 L343	L22-W231 HydrophobicContact CD1-CB 4.16Å; L22-W231 HydrophobicContact CD1-CE3 4.45Å; G227-W231 WeakPolarHBondContact O-CB 3.37Å; G227-W231 PolarHBondContact O-N 2.95Å; N228-W231 WeakPolarHBondContact O-CB 3.44Å; N228-W231 PolarHBondContact O-N 3.26Å; V229-W231 VanDerWaalsContact C-N 3.28Å; V229-W231 PolarHBondContact O-N 2.88Å; W231-H233 PolarHBondContact O-N 2.83Å; W231-I234 HydrophobicContact CE3-CB 3.83Å; W231-I234 HydrophobicContact CE3-CG1 4.15Å; W231-I234 HydrophobicContact CE3-CG2 4.07Å; W231-I234 HydrophobicContact CZ3-CB 4.02Å; W231-I234 HydrophobicContact CZ3-CG2 3.71Å; W231-I234 WeakPolarHBondContact O-CB 3.4Å; W231-I234 PolarHBondContact O-N 2.82Å; W231-I234 VanDerWaalsContact O-N 3.1Å; W231-L235 HydrophobicContact CD2-CG 4.23Å; W231-L235 HydrophobicContact CH2-CD2 4.09Å; W231-L235 HydrophobicContact CZ2-CD1 4.31Å; W231-L235 HydrophobicContact CZ2-CD2 3.66Å; W231-L235 HydrophobicContact CZ2-CG 4.05Å; W231-L235 PolarHBondContact O-N 2.8Å; W231-K341 VanDerWaalsContact CD1-O 3.27Å; W231-K341 PolarHBondContact NE1-O 3.4Å; W231-L343 HydrophobicContact CB-CB 4.08Å; W231-L343 HydrophobicContact CB-CD2 4.32Å; W231-L343 HydrophobicContact CD2-CB 4.32Å; W231-L343 HydrophobicContact CD2-CD2 4.17Å; W231-L343 HydrophobicContact CE3-CD2 4.27Å; W231-L343 HydrophobicContact CG-CB 3.78Å; W231-L343 HydrophobicContact CG-CD2 4.21Å
232	A	98.8	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-34.8	173.7	0	0	0	0	0	112.7	L185 N228 V229 A230 L235 A236 I256 Y340	L185-A232 HydrophobicContact CD1-CB 4.17Å; N228-A232 PolarHBondContact O-N 3.44Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 3.29Å; A230-A232 VanDerWaalsContact C-N 3.34Å; A230-A232 PolarHBondContact O-N 3.3Å; A232-L235 PolarHBondContact O-N 3.18Å; A232-A236 WeakPolarHBondContact O-CB 3.31Å; A232-A236 PolarHBondContact O-N 2.87Å; A232-I256 HydrophobicContact CB-CD1 3.79Å; A232-I256 HydrophobicContact CB-CG1 4.01Å; A232-I256 HydrophobicContact CB-CG2 3.74Å; A232-Y340 HydrophobicContact CB-CD2 3.82Å; A232-Y340 HydrophobicContact CB-CE2 3.72Å
233	H	98.8	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.7	-39.1	175.5	-68.2	73	0	0	0	111.9	I19 T123 L185 V229 A230 W231 A236 L237	I19-H233 HydrophobicContact CD1-CB 4.1Å; I19-H233 HydrophobicContact CG1-CB 4.22Å; T123-H233 PolarHBondContact OG1-NE2 2.98Å; L185-H233 HydrophobicContact CD1-CB 4.32Å; V229-H233 PolarHBondContact O-N 2.88Å; V229-H233 PolarHBondContact O-ND1 3.4Å; A230-H233 WeakPolarHBondContact O-CB 3.48Å; A230-H233 PolarHBondContact O-N 3.19Å; A230-H233 VanDerWaalsContact O-N 3.1Å; W231-H233 PolarHBondContact O-N 2.83Å; H233-A236 PolarHBondContact O-N 3.25Å; H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 2.63Å
234	I	98.5	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-42.8	175	-55	-56.8	0	0	0	110.8	L22 L23 E26 A230 W231 L237 R238	L22-I234 HydrophobicContact CB-CD1 3.98Å; L22-I234 HydrophobicContact CB-CG1 3.81Å; L22-I234 HydrophobicContact CD1-CG1 4.22Å; L23-I234 HydrophobicContact CD2-CD1 3.58Å; L23-I234 HydrophobicContact CG-CD1 3.69Å; E26-I234 HydrophobicContact CG-CG2 4.47Å; E26-I234 WeakPolarHBondContact OE1-CG2 3.42Å; A230-I234 PolarHBondContact O-N 3.28Å; W231-I234 HydrophobicContact CE3-CB 3.83Å; W231-I234 HydrophobicContact CE3-CG1 4.15Å; W231-I234 HydrophobicContact CE3-CG2 4.07Å; W231-I234 HydrophobicContact CZ3-CB 4.02Å; W231-I234 HydrophobicContact CZ3-CG2 3.71Å; W231-I234 WeakPolarHBondContact O-CB 3.4Å; W231-I234 PolarHBondContact O-N 2.82Å; W231-I234 VanDerWaalsContact O-N 3.1Å; I234-L237 WeakPolarHBondContact O-CB 3.43Å; I234-L237 PolarHBondContact O-N 2.83Å; I234-R238 WeakPolarHBondContact O-CG 3.31Å; I234-R238 PolarHBondContact O-N 3.19Å
235	L	98.5	Very high	97.5	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-68.1	-40.2	177.9	-68.1	-177.4	0	0	0	112.7	W231 A232 L237 R238 A239 L338 Y340	W231-L235 HydrophobicContact CD2-CG 4.23Å; W231-L235 HydrophobicContact CH2-CD2 4.09Å; W231-L235 HydrophobicContact CZ2-CD1 4.31Å; W231-L235 HydrophobicContact CZ2-CD2 3.66Å; W231-L235 HydrophobicContact CZ2-CG 4.05Å; W231-L235 PolarHBondContact O-N 2.8Å; A232-L235 PolarHBondContact O-N 3.18Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.34Å; L235-R238 PolarHBondContact O-N 2.99Å; L235-A239 VanDerWaalsContact O-CB 3.3Å; L235-A239 WeakPolarHBondContact O-CB 3.47Å; L235-A239 PolarHBondContact O-N 3.34Å; L235-L338 HydrophobicContact CB-CB 4.46Å; L235-Y340 HydrophobicContact CD1-CD2 4.05Å
236	A	98.5	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-42	172.8	0	0	0	0	0	111.6	I121 L185 A232 H233 A239 L240 L338	I121-A236 HydrophobicContact CD1-CB 4.12Å; I121-A236 HydrophobicContact CG2-CB 4.38Å; L185-A236 HydrophobicContact CD1-CB 4.2Å; L185-A236 HydrophobicContact CD2-CB 4.36Å; A232-A236 WeakPolarHBondContact O-CB 3.31Å; A232-A236 PolarHBondContact O-N 2.87Å; H233-A236 PolarHBondContact O-N 3.25Å; A236-A239 PolarHBondContact O-N 3.12Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.36Å; A236-L240 PolarHBondContact O-N 3.26Å; A236-L338 HydrophobicContact CB-CD1 4.36Å
237	L	97.8	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-52.6	174.2	177.8	152.5	0	0	0	111.6	W4 L23 V78 I80 I121 H233 I234 L235 A239 L240 Q241	W4-L237 HydrophobicContact CH2-CD1 3.64Å; W4-L237 HydrophobicContact CH2-CD2 3.75Å; W4-L237 HydrophobicContact CH2-CG 4.29Å; W4-L237 HydrophobicContact CZ2-CD2 4.15Å; W4-L237 HydrophobicContact CZ3-CD1 3.86Å; W4-L237 HydrophobicContact CZ3-CD2 4.46Å; L23-L237 HydrophobicContact CD2-CD1 4.04Å; V78-L237 HydrophobicContact CB-CD1 4.1Å; V78-L237 HydrophobicContact CG1-CD1 3.76Å; V78-L237 HydrophobicContact CG1-CG 4.19Å; V78-L237 HydrophobicContact CG2-CD1 4.1Å; V78-L237 HydrophobicContact CG2-CG 4.21Å; I80-L237 HydrophobicContact CD1-CD1 4.18Å; I121-L237 HydrophobicContact CD1-CB 3.7Å; H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 2.63Å; I234-L237 WeakPolarHBondContact O-CB 3.43Å; I234-L237 PolarHBondContact O-N 2.83Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.34Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.18Å; L237-L240 PolarHBondContact O-N 2.96Å; L237-Q241 VanDerWaalsContact CD2-OE1 3.27Å; L237-Q241 WeakPolarHBondContact O-CG 3.33Å; L237-Q241 PolarHBondContact O-N 2.85Å
238	R	97.3	Very high	97	Very high	104 Å²	104	39.8 Å²	39.8	39%	0.392	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-39	179.9	-69.8	171.5	179.4	-178.3	2.3	111.9	E26 I234 L235 Q241 D242	E26-R238 IonicContact OE1-CZ 2.79Å; E26-R238 IonicContact OE1-NE 3.69Å; E26-R238 PolarHBondContact OE1-NE 2.71Å; E26-R238 IonicContact OE1-NH2 3.68Å; E26-R238 PolarHBondContact OE1-NH2 3.38Å; E26-R238 IonicContact OE2-CZ 3.77Å; E26-R238 IonicContact OE2-NE 2.66Å; E26-R238 PolarHBondContact OE2-NE 3.4Å; E26-R238 IonicContact OE2-NH2 3.59Å; E26-R238 PolarHBondContact OE2-NH2 3.22Å; I234-R238 WeakPolarHBondContact O-CG 3.31Å; I234-R238 PolarHBondContact O-N 3.19Å; L235-R238 PolarHBondContact O-N 2.99Å; R238-Q241 PolarHBondContact O-N 3.44Å; R238-D242 PolarHBondContact O-N 3.45Å; R238-D242 VanDerWaalsContact O-N 3.11Å
239	A	97.9	Very high	96.9	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-36.6	179.8	0	0	0	0	0	112.9	L235 A236 L237 K245 A246 V249 L338	L235-A239 VanDerWaalsContact O-CB 3.3Å; L235-A239 WeakPolarHBondContact O-CB 3.47Å; L235-A239 PolarHBondContact O-N 3.34Å; A236-A239 PolarHBondContact O-N 3.12Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.18Å; A239-K245 HydrophobicContact CB-CB 4.4Å; A239-K245 HydrophobicContact CB-CD 4.43Å; A239-K245 CarbonylContact O-C 3.51Å; A239-K245 WeakPolarHBondContact O-CB 3.36Å; A239-A246 PolarHBondContact O-N 3.42Å; A239-A246 VanDerWaalsContact O-N 3.17Å; A239-V249 HydrophobicContact CB-CG1 4.4Å; A239-V249 HydrophobicContact CB-CG2 4.06Å; A239-L338 HydrophobicContact CB-CD2 4.06Å
240	L	97.1	Very high	96.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-76.4	-24.8	176.5	-71.2	173.8	0	0	0	113.3	V119 I121 C183 A236 L237 A246 V249 R250	V119-L240 HydrophobicContact CG1-CB 3.82Å; V119-L240 HydrophobicContact CG1-CD1 3.62Å; V119-L240 HydrophobicContact CG1-CG 4.38Å; V119-L240 HydrophobicContact CG2-CB 4.34Å; I121-L240 HydrophobicContact CD1-CD1 4.39Å; I121-L240 HydrophobicContact CG1-CD1 3.93Å; C183-L240 HydrophobicContact CB-CD1 3.72Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.36Å; A236-L240 PolarHBondContact O-N 3.26Å; L237-L240 PolarHBondContact O-N 2.96Å; L240-A246 WeakPolarHBondContact O-CB 3.26Å; L240-V249 HydrophobicContact CD2-CB 4.12Å; L240-V249 HydrophobicContact CD2-CG1 3.81Å; L240-V249 HydrophobicContact CG-CG1 4.06Å; L240-R250 HydrophobicContact CD2-CB 3.99Å
241	Q	94.3	Very high	96.8	Very high	62 Å²	62	43.6 Å²	43.6	29%	0.29	22%	0.224	S	C	.	.	H	α-helix	trans	-79.3	-25.2	172.8	-73.8	-178.8	-27.7	0	0	113	L77 L237 R238 P243	L77-Q241 VanDerWaalsContact CD2-NE2 3.35Å; L237-Q241 VanDerWaalsContact CD2-OE1 3.27Å; L237-Q241 WeakPolarHBondContact O-CG 3.33Å; L237-Q241 PolarHBondContact O-N 2.85Å; R238-Q241 PolarHBondContact O-N 3.44Å; Q241-P243 VanDerWaalsContact O-CD 3.27Å; Q241-P243 WeakPolarHBondContact O-CD 3.43Å
242	D	95.1	Very high	96.7	Very high	55 Å²	55	44.9 Å²	44.9	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	-77.7	113.4	176.2	-179.6	-9.8	0	0	0	110.4	R238 K244 K245 A246	R238-D242 PolarHBondContact O-N 3.45Å; R238-D242 VanDerWaalsContact O-N 3.11Å; D242-K244 PolarHBondContact O-N 2.95Å; D242-K244 WeakPolarHBondContact OD1-CB 3.49Å; D242-K244 PolarHBondContact OD1-N 2.84Å; D242-K245 HydrophobicContact CB-CB 4.17Å; D242-K245 HydrophobicContact CB-CG 4.43Å; D242-K245 PolarHBondContact O-N 2.88Å; D242-A246 WeakPolarHBondContact O-CB 3.45Å; D242-A246 PolarHBondContact O-N 3.05Å
243	P	93.7	Very high	96.6	Very high	111 Å²	111	46.6 Å²	46.6	72%	0.721	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.7	-178.6	-23.9	35.1	0	0	0	114.1	Q241 P247	Q241-P243 VanDerWaalsContact O-CD 3.27Å; Q241-P243 WeakPolarHBondContact O-CD 3.43Å; P243-P247 WeakPolarHBondContact O-CD 3.48Å
244	K	95.2	Very high	96.5	Very high	189 Å²	189	46.6 Å²	46.6	82%	0.822	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.1	178.5	-61.4	-178.2	-179.3	178.6	0	112.4	D242	D242-K244 PolarHBondContact O-N 2.95Å; D242-K244 WeakPolarHBondContact OD1-CB 3.49Å; D242-K244 PolarHBondContact OD1-N 2.84Å
245	K	95.4	Very high	96.5	Very high	84 Å²	84	46.7 Å²	46.7	37%	0.365	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-29.8	-178.2	-68	-174.1	178.3	-171.7	0	113.1	A239 D242 P247 S248 V249	A239-K245 HydrophobicContact CB-CB 4.4Å; A239-K245 HydrophobicContact CB-CD 4.43Å; A239-K245 CarbonylContact O-C 3.51Å; A239-K245 WeakPolarHBondContact O-CB 3.36Å; D242-K245 HydrophobicContact CB-CB 4.17Å; D242-K245 HydrophobicContact CB-CG 4.43Å; D242-K245 PolarHBondContact O-N 2.88Å; K245-P247 VanDerWaalsContact C-CD 3.4Å; K245-P247 VanDerWaalsContact C-N 3.3Å; K245-S248 PolarHBondContact O-N 3.19Å; K245-S248 PolarHBondContact O-OG 2.99Å; K245-V249 PolarHBondContact O-N 3.15Å
246	A	95.7	Very high	96.4	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-50.6	-43	-177.5	0	0	0	0	0	113.3	Y181 A239 L240 D242 S248 V249 R250	Y181-A246 HydrophobicContact CD2-CB 4.14Å; Y181-A246 HydrophobicContact CE2-CB 4.07Å; A239-A246 PolarHBondContact O-N 3.42Å; A239-A246 VanDerWaalsContact O-N 3.17Å; L240-A246 WeakPolarHBondContact O-CB 3.26Å; D242-A246 WeakPolarHBondContact O-CB 3.45Å; D242-A246 PolarHBondContact O-N 3.05Å; A246-S248 VanDerWaalsContact C-N 3.28Å; A246-S248 PolarHBondContact O-N 3.38Å; A246-V249 PolarHBondContact O-N 3.35Å; A246-V249 VanDerWaalsContact O-N 3.14Å; A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CG 2.95Å; A246-R250 PolarHBondContact O-N 3.18Å
247	P	95.5	Very high	96.3	Very high	93 Å²	93	46 Å²	46	60%	0.604	24%	0.237	S	C	*	.	H	α-helix	trans	-60.5	-29.9	179.7	-25.5	36.2	0	0	0	115.1	P243 K245	P243-P247 WeakPolarHBondContact O-CD 3.48Å; K245-P247 VanDerWaalsContact C-CD 3.4Å; K245-P247 VanDerWaalsContact C-N 3.3Å
248	S	94.1	Very high	96.3	Very high	65 Å²	65	46.4 Å²	46.4	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-88.5	-14.6	178.9	62.5	0	0	0	0	113.6	K245 A246	K245-S248 PolarHBondContact O-N 3.19Å; K245-S248 PolarHBondContact O-OG 2.99Å; A246-S248 VanDerWaalsContact C-N 3.28Å; A246-S248 PolarHBondContact O-N 3.38Å
249	V	96.9	Very high	96.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-106.2	-31.7	-174.6	176.4	0	0	0	0	112.8	A239 L240 K245 A246 Q252 Y254 D337 L338	A239-V249 HydrophobicContact CB-CG1 4.4Å; A239-V249 HydrophobicContact CB-CG2 4.06Å; L240-V249 HydrophobicContact CD2-CB 4.12Å; L240-V249 HydrophobicContact CD2-CG1 3.81Å; L240-V249 HydrophobicContact CG-CG1 4.06Å; K245-V249 PolarHBondContact O-N 3.15Å; A246-V249 PolarHBondContact O-N 3.35Å; A246-V249 VanDerWaalsContact O-N 3.14Å; V249-Q252 WeakPolarHBondContact O-CB 3.04Å; V249-Q252 PolarHBondContact O-N 3.04Å; V249-Y254 WeakPolarHBondContact CA-OH 3.43Å; V249-Y254 HydrophobicContact CG1-CE2 4.12Å; V249-D337 HydrophobicContact CG2-CB 4.29Å; V249-L338 HydrophobicContact CB-CD2 4.33Å; V249-L338 HydrophobicContact CG1-CD2 3.48Å; V249-L338 VanDerWaalsContact CG1-CD2 3.48Å; V249-L338 HydrophobicContact CG2-CD2 3.81Å
250	R	97.1	Very high	96.1	Very high	58 Å²	58	46.5 Å²	46.5	22%	0.219	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	144.2	-177.9	71.6	179	-73.8	-167.8	-6.6	112	D170 G171 Y181 T182 L240 A246 Q252	D170-R250 WeakPolarHBondContact OD1-CB 3.24Å; D170-R250 IonicContact OD1-NE 3.78Å; D170-R250 PolarHBondContact OD1-NE 2.88Å; D170-R250 IonicContact OD1-NH2 3.87Å; D170-R250 IonicContact OD2-CZ 3.23Å; D170-R250 VanDerWaalsContact OD2-CZ 3.23Å; D170-R250 IonicContact OD2-NE 2.83Å; D170-R250 PolarHBondContact OD2-NE 3.12Å; D170-R250 IonicContact OD2-NH2 2.81Å; D170-R250 PolarHBondContact OD2-NH2 3.09Å; G171-R250 VanDerWaalsContact N-NH2 3.12Å; Y181-R250 HydrophobicContact CG-CB 4.44Å; T182-R250 CarbonylContact O-C 3.57Å; T182-R250 WeakPolarHBondContact O-CA 3.37Å; L240-R250 HydrophobicContact CD2-CB 3.99Å; A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CG 2.95Å; A246-R250 PolarHBondContact O-N 3.18Å; R250-Q252 PolarHBondContact O-N 3.37Å
251	G	97.3	Very high	96	Very high	22 Å²	22	49.2 Å²	49.2	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.1	-177.1	0	0	0	0	0	114.4	D170 T182	D170-G251 PolarHBondContact OD1-N 3.01Å; D170-G251 VanDerWaalsContact OD1-N 3.17Å; T182-G251 PolarHBondContact O-N 3.39Å
252	Q	97.3	Very high	95.9	Very high	74 Å²	74	50.5 Å²	50.5	35%	0.346	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	158	179.6	-61.2	-62.9	-49.1	0	0	112.2	L167 C183 A184 V249 R250 Y254	L167-Q252 WeakPolarHBondContact CD2-O 3.37Å; C183-Q252 WeakPolarHBondContact CA-O 3.37Å; A184-Q252 PolarHBondContact N-O 3.3Å; V249-Q252 WeakPolarHBondContact O-CB 3.04Å; V249-Q252 PolarHBondContact O-N 3.04Å; R250-Q252 PolarHBondContact O-N 3.37Å; Q252-Y254 HydrophobicContact CB-CE2 3.67Å
253	F	96.9	Very high	95.8	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	157.3	162.5	72.5	-91.2	0	0	0	111.5	E143 L167 A184 Y255 K333	E143-F253 HydrophobicContact CB-CD2 4.43Å; E143-F253 HydrophobicContact CB-CE2 3.67Å; E143-F253 HydrophobicContact CB-CZ 3.84Å; E143-F253 HydrophobicContact CG-CD2 3.8Å; E143-F253 HydrophobicContact CG-CE2 3.39Å; E143-F253 HydrophobicContact CG-CZ 4.1Å; E143-F253 WeakPolarHBondContact O-CZ 3.47Å; L167-F253 HydrophobicContact CD1-CD1 4.19Å; A184-F253 HydrophobicContact CB-CB 3.96Å; A184-F253 CarbonylContact O-C 3.57Å; A184-F253 WeakPolarHBondContact O-CA 3.38Å; F253-Y255 HydrophobicContact CE2-CE2 4.14Å; F253-K333 PolarHBondContact O-NZ 3Å
254	Y	97.6	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.6	-177.7	-62.4	-84.5	0	0	0	111.8	E143 A184 L185 R186 V249 Q252 K333 A334 D337 L338	E143-Y254 WeakPolarHBondContact OE1-CA 2.9Å; A184-Y254 PolarHBondContact O-N 3.28Å; L185-Y254 HydrophobicContact CD2-CD2 4.12Å; L185-Y254 HydrophobicContact CD2-CG 4.48Å; R186-Y254 PolarHBondContact N-O 2.81Å; V249-Y254 WeakPolarHBondContact CA-OH 3.43Å; V249-Y254 HydrophobicContact CG1-CE2 4.12Å; Q252-Y254 HydrophobicContact CB-CE2 3.67Å; Y254-K333 HydrophobicContact CD1-CB 4.23Å; Y254-K333 HydrophobicContact CD1-CD 3.87Å; Y254-K333 HydrophobicContact CD1-CG 3.86Å; Y254-K333 HydrophobicContact CE1-CB 4.5Å; Y254-K333 HydrophobicContact CE1-CD 3.82Å; Y254-K333 HydrophobicContact CE1-CG 3.71Å; Y254-A334 HydrophobicContact CD1-CB 4.2Å; Y254-D337 HydrophobicContact CE1-CB 3.7Å; Y254-D337 WeakPolarHBondContact CE1-OD2 3.34Å; Y254-D337 WeakPolarHBondContact OH-CB 3.17Å; Y254-D337 PolarHBondContact OH-OD2 2.95Å; Y254-L338 HydrophobicContact CD1-CD1 4.41Å; Y254-L338 HydrophobicContact CD1-CG 4.48Å; Y254-L338 HydrophobicContact CD2-CD1 4.1Å; Y254-L338 HydrophobicContact CE1-CG 4.35Å; Y254-L338 HydrophobicContact CE2-CD1 4.44Å; Y254-L338 HydrophobicContact CE2-CD2 4.17Å; Y254-L338 HydrophobicContact CE2-CG 4.45Å; Y254-L338 HydrophobicContact CG-CD1 4.09Å
255	Y	96.9	Very high	95.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.1	166.3	-67.6	-62.6	0	0	0	110.4	I126 A129 E143 R186 F253 F329 Y331	I126-Y255 HydrophobicContact CD1-CD1 3.22Å; I126-Y255 HydrophobicContact CD1-CE1 3.29Å; I126-Y255 HydrophobicContact CD1-CG 4.3Å; A129-Y255 HydrophobicContact CB-CE1 4.11Å; A129-Y255 WeakPolarHBondContact CB-OH 3.31Å; E143-Y255 HydrophobicContact CG-CD2 3.7Å; E143-Y255 HydrophobicContact CG-CE2 3.94Å; E143-Y255 PolarHBondContact OE1-N 2.96Å; R186-Y255 HydrophobicContact CB-CD1 3.75Å; R186-Y255 HydrophobicContact CB-CE1 4.15Å; R186-Y255 PolarHBondContact NH1-OH 3.13Å; F253-Y255 HydrophobicContact CE2-CE2 4.14Å; Y255-F329 HydrophobicContact CD1-CB 4.14Å; Y255-F329 HydrophobicContact CD1-CD1 4.01Å; Y255-F329 HydrophobicContact CD1-CG 4.06Å; Y255-F329 HydrophobicContact CD2-CB 4.17Å; Y255-F329 AromaticContact CD2-CD1 3.8Å; Y255-F329 HydrophobicContact CD2-CD1 3.8Å; Y255-F329 HydrophobicContact CD2-CG 4.33Å; Y255-F329 AromaticContact CE1-CD1 3.64Å; Y255-F329 HydrophobicContact CE1-CD1 3.64Å; Y255-F329 AromaticContact CE1-CE1 3.9Å; Y255-F329 HydrophobicContact CE1-CE1 3.9Å; Y255-F329 HydrophobicContact CE1-CG 4.04Å; Y255-F329 HydrophobicContact CE1-CZ 4.49Å; Y255-F329 AromaticContact CE2-CD1 3.44Å; Y255-F329 HydrophobicContact CE2-CD1 3.44Å; Y255-F329 VanDerWaalsContact CE2-CD1 3.44Å; Y255-F329 AromaticContact CE2-CE1 3.93Å; Y255-F329 HydrophobicContact CE2-CE1 3.93Å; Y255-F329 HydrophobicContact CE2-CG 4.35Å; Y255-F329 HydrophobicContact CG-CB 3.89Å; Y255-F329 HydrophobicContact CG-CD1 4.06Å; Y255-F329 HydrophobicContact CG-CG 4.18Å; Y255-F329 AromaticContact CZ-CD1 3.32Å; Y255-F329 AromaticContact CZ-CE1 3.45Å; Y255-F329 VanDerWaalsContact CZ-CE1 3.45Å; Y255-F329 WeakPolarHBondContact OH-CE1 3.38Å; Y255-Y331 WeakPolarHBondContact O-CB 3.15Å
256	I	97.8	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.9	179.8	-54.5	-56.7	0	0	0	108.8	L185 R186 P187 T188 V229 A232 A334 Y340	L185-I256 HydrophobicContact CB-CG1 4.02Å; L185-I256 HydrophobicContact CD2-CD1 4.2Å; L185-I256 HydrophobicContact CD2-CG1 4.28Å; R186-I256 PolarHBondContact O-N 3.34Å; P187-I256 WeakPolarHBondContact CA-O 3.43Å; T188-I256 PolarHBondContact N-O 3.09Å; T188-I256 VanDerWaalsContact N-O 3.12Å; V229-I256 HydrophobicContact CG2-CG2 4.32Å; A232-I256 HydrophobicContact CB-CD1 3.79Å; A232-I256 HydrophobicContact CB-CG1 4.01Å; A232-I256 HydrophobicContact CB-CG2 3.74Å; I256-A334 HydrophobicContact CD1-CB 3.87Å; I256-Y340 HydrophobicContact CG2-CE2 4.42Å
257	S	96	Very high	94.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.021	20%	0.2	C	C	.	.			trans	-132.1	-173.5	166.2	76.4	0	0	0	0	110.4	N222 Y331 Y340	N222-S257 WeakPolarHBondContact ND2-CB 3.44Å; N222-S257 PolarHBondContact ND2-OG 3.23Å; N222-S257 VanDerWaalsContact ND2-OG 3.12Å; S257-Y331 WeakPolarHBondContact OG-CD1 3.34Å; S257-Y340 VanDerWaalsContact O-CE1 3.26Å; S257-Y340 WeakPolarHBondContact O-CE1 3.21Å; S257-Y340 PolarHBondContact O-OH 3.47Å
258	D	96.5	Very high	94.6	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	17%	0.171	C	C	.	.			trans	-143.9	-165.6	175.5	60.9	28.6	0	0	0	111.1	V224 Y225 N228 T260 P342	V224-D258 HydrophobicContact CG2-CB 4.24Å; V224-D258 WeakPolarHBondContact CG2-OD2 3.28Å; Y225-D258 WeakPolarHBondContact CB-OD2 3.42Å; Y225-D258 PolarHBondContact N-OD2 3.16Å; N228-D258 HydrophobicContact CB-CB 4.41Å; N228-D258 PolarHBondContact ND2-OD2 2.97Å; D258-T260 PolarHBondContact O-N 3.36Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 2.81Å; D258-T260 PolarHBondContact OD1-OG1 3.38Å; D258-P342 HydrophobicContact CB-CB 3.98Å; D258-P342 HydrophobicContact CB-CG 3.71Å
259	D	95.5	Very high	94.5	Very high	107 Å²	107	29.9 Å²	29.9	57%	0.572	16%	0.155	S	C	*	.	S	Bend	trans	-82	13.2	-176.8	-56.2	-38.5	0	0	0	113.2	Y331	D259-Y331 PolarHBondContact OD1-OH 3.32Å
260	T	96.1	Very high	94.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-58.4	130.3	171.6	-62	0	0	0	0	109.9	Y191 P223 D258 H262 L268 W346	Y191-T260 HydrophobicContact CE1-CG2 4.01Å; Y191-T260 WeakPolarHBondContact CE1-OG1 3.39Å; Y191-T260 PolarHBondContact OH-OG1 3.35Å; P223-T260 HydrophobicContact CB-CG2 3.96Å; P223-T260 HydrophobicContact CG-CG2 4.15Å; P223-T260 WeakPolarHBondContact O-CB 3.49Å; D258-T260 PolarHBondContact O-N 3.36Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 2.81Å; D258-T260 PolarHBondContact OD1-OG1 3.38Å; T260-H262 PolarHBondContact O-N 3.35Å; T260-L268 HydrophobicContact CG2-CD1 4.45Å; T260-W346 HydrophobicContact CG2-CD2 4.41Å; T260-W346 HydrophobicContact CG2-CE3 3.55Å; T260-W346 HydrophobicContact CG2-CH2 4.34Å; T260-W346 HydrophobicContact CG2-CZ3 3.52Å
261	P	94.8	Very high	94.2	Very high	60 Å²	60	32.6 Å²	32.6	39%	0.39	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-54.3	133.2	-179.9	-28.4	35.1	0	0	0	112.3	Q263 W346	P261-Q263 WeakPolarHBondContact O-CG 3.27Å; P261-Q263 PolarHBondContact O-N 2.77Å; P261-Q263 PolarHBondContact O-NE2 2.86Å; P261-Q263 VanDerWaalsContact O-NE2 3.09Å; P261-W346 VanDerWaalsContact CD-CD2 3.46Å; P261-W346 HydrophobicContact CG-CD2 4.35Å; P261-W346 HydrophobicContact CG-CG 4.37Å
262	H	93.6	Very high	94.1	Very high	90 Å²	90	31.6 Å²	31.6	42%	0.417	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-62	123.8	173.9	-67.8	-172.2	0	0	0	109.5	T220 V221 N222 T260	T220-H262 HydrophobicContact CG2-CB 3.87Å; V221-H262 CarbonylContact O-C 3.58Å; V221-H262 VanDerWaalsContact O-CA 3.23Å; V221-H262 WeakPolarHBondContact O-CA 3.48Å; N222-H262 VanDerWaalsContact CB-CD2 3.41Å; N222-H262 WeakPolarHBondContact CB-CD2 3.22Å; N222-H262 WeakPolarHBondContact CB-NE2 3.19Å; T260-H262 PolarHBondContact O-N 3.35Å
263	Q	91.4	Very high	94	Very high	25 Å²	25	28.1 Å²	28.1	12%	0.117	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-160.6	171.9	-175.2	63.6	-166.4	-61.5	0	0	110.2	V221 P223 P261 N267 L268	V221-Q263 WeakPolarHBondContact CG2-O 3.11Å; V221-Q263 PolarHBondContact N-O 3.07Å; V221-Q263 PolarHBondContact O-N 3.27Å; V221-Q263 VanDerWaalsContact O-O 3.11Å; P223-Q263 HydrophobicContact CG-CG 4.45Å; P261-Q263 WeakPolarHBondContact O-CG 3.27Å; P261-Q263 PolarHBondContact O-N 2.77Å; P261-Q263 PolarHBondContact O-NE2 2.86Å; P261-Q263 VanDerWaalsContact O-NE2 3.09Å; Q263-N267 HydrophobicContact CB-CB 4.22Å; Q263-L268 HydrophobicContact CG-CB 4.15Å
264	S	90.2	Very high	93.8	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	15%	0.154	C	C	.	.			trans	-73.7	159.5	171.4	67.7	0	0	0	0	111.5	S219 D266 N267 L268	S219-S264 WeakPolarHBondContact O-CB 3.33Å; S219-S264 WeakPolarHBondContact OG-CB 3.15Å; S264-D266 PolarHBondContact O-N 3.2Å; S264-N267 PolarHBondContact O-N 3.33Å; S264-N267 VanDerWaalsContact OG-CB 3.28Å; S264-N267 WeakPolarHBondContact OG-CB 3.26Å; S264-N267 PolarHBondContact OG-N 3.42Å; S264-N267 PolarHBondContact OG-ND2 2.93Å; S264-L268 PolarHBondContact O-N 2.9Å
265	Y	87.9	Confident	93.7	Very high	22 Å²	22	36.8 Å²	36.8	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-40.9	171.5	-58.6	-84.8	0	0	0	112	Y189 V221 L268 N269 L322	Y189-Y265 AromaticContact CD1-CD1 3.72Å; Y189-Y265 HydrophobicContact CD1-CD1 3.72Å; Y189-Y265 HydrophobicContact CD1-CE1 4.02Å; Y189-Y265 AromaticContact CD2-CD1 3.79Å; Y189-Y265 HydrophobicContact CD2-CD1 3.79Å; Y189-Y265 AromaticContact CD2-CE1 3.58Å; Y189-Y265 HydrophobicContact CD2-CE1 3.58Å; Y189-Y265 AromaticContact CE1-CD1 3.96Å; Y189-Y265 HydrophobicContact CE1-CD1 3.96Å; Y189-Y265 HydrophobicContact CE2-CD1 4.04Å; Y189-Y265 HydrophobicContact CE2-CE1 4.24Å; Y189-Y265 AromaticContact CG-CD1 3.63Å; Y189-Y265 HydrophobicContact CG-CD1 3.63Å; Y189-Y265 AromaticContact CG-CE1 3.45Å; Y189-Y265 HydrophobicContact CG-CE1 3.45Å; Y189-Y265 VanDerWaalsContact CG-CE1 3.45Å; V221-Y265 HydrophobicContact CB-CE2 4.49Å; V221-Y265 HydrophobicContact CG1-CE2 3.68Å; V221-Y265 HydrophobicContact CG2-CD1 4.29Å; V221-Y265 HydrophobicContact CG2-CD2 4.31Å; V221-Y265 HydrophobicContact CG2-CE1 4.09Å; V221-Y265 HydrophobicContact CG2-CE2 4.07Å; V221-Y265 HydrophobicContact CG2-CG 4.41Å; Y265-L268 PolarHBondContact O-N 3.45Å; Y265-N269 PolarHBondContact O-N 3.46Å; Y265-N269 VanDerWaalsContact O-N 3.08Å; Y265-L322 HydrophobicContact CE2-CG 4.14Å
266	D	88.8	Confident	93.6	Very high	16 Å²	16	40 Å²	40	9%	0.086	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-41.8	-177.9	-58.7	-18.1	0	0	0	110.7	S214 I215 G216 S264 L268 N269 Y270 L280	S214-D266 WeakPolarHBondContact CA-OD2 3.29Å; I215-D266 PolarHBondContact N-OD2 3.24Å; G216-D266 PolarHBondContact N-OD2 2.84Å; S264-D266 PolarHBondContact O-N 3.2Å; D266-L268 PolarHBondContact O-N 3.15Å; D266-N269 PolarHBondContact O-N 3.11Å; D266-Y270 WeakPolarHBondContact O-CB 3.34Å; D266-Y270 PolarHBondContact O-N 2.89Å; D266-L280 HydrophobicContact CB-CD2 4.18Å
267	N	90.8	Very high	93.2	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-36.1	175.9	-76.4	-11.3	0	0	0	112.5	Q263 S264 Y270 T271	Q263-N267 HydrophobicContact CB-CB 4.22Å; S264-N267 PolarHBondContact O-N 3.33Å; S264-N267 VanDerWaalsContact OG-CB 3.28Å; S264-N267 WeakPolarHBondContact OG-CB 3.26Å; S264-N267 PolarHBondContact OG-N 3.42Å; S264-N267 PolarHBondContact OG-ND2 2.93Å; N267-Y270 PolarHBondContact O-N 3.41Å; N267-T271 VanDerWaalsContact O-CB 3.29Å; N267-T271 WeakPolarHBondContact O-CB 3.46Å; N267-T271 PolarHBondContact O-N 3.38Å; N267-T271 PolarHBondContact O-OG1 3.46Å
268	L	92.5	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-49.3	173.8	-175.4	70.8	0	0	0	110.5	Y189 Y191 P223 T260 Q263 S264 Y265 D266 Y270 T271 L272 W346	Y189-L268 HydrophobicContact CD1-CD2 3.94Å; Y189-L268 HydrophobicContact CE1-CD2 3.74Å; Y191-L268 HydrophobicContact CD1-CD2 4.12Å; Y191-L268 HydrophobicContact CG-CD2 3.95Å; P223-L268 HydrophobicContact CB-CD2 3.74Å; P223-L268 HydrophobicContact CG-CD1 4.4Å; P223-L268 HydrophobicContact CG-CD2 3.78Å; P223-L268 HydrophobicContact CG-CG 4.5Å; T260-L268 HydrophobicContact CG2-CD1 4.45Å; Q263-L268 HydrophobicContact CG-CB 4.15Å; S264-L268 PolarHBondContact O-N 2.9Å; Y265-L268 PolarHBondContact O-N 3.45Å; D266-L268 PolarHBondContact O-N 3.15Å; L268-Y270 VanDerWaalsContact C-N 3.28Å; L268-Y270 PolarHBondContact O-N 3.06Å; L268-T271 PolarHBondContact O-N 3.2Å; L268-T271 VanDerWaalsContact O-N 3.17Å; L268-L272 HydrophobicContact CD1-CD1 4.05Å; L268-L272 HydrophobicContact CD1-CG 4.34Å; L268-L272 HydrophobicContact CD2-CD1 4.36Å; L268-L272 HydrophobicContact CG-CD1 3.79Å; L268-L272 HydrophobicContact CG-CG 4.41Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.4Å; L268-W346 HydrophobicContact CD1-CH2 3.93Å; L268-W346 HydrophobicContact CD1-CZ3 4.12Å
269	N	92.3	Very high	92.9	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-42.5	178.3	-69.3	-12.5	0	0	0	111.5	L198 Y265 D266 L272 S273	L198-N269 HydrophobicContact CD1-CB 4.28Å; L198-N269 VanDerWaalsContact CD1-OD1 3.32Å; L198-N269 WeakPolarHBondContact CD1-OD1 3.47Å; Y265-N269 PolarHBondContact O-N 3.46Å; Y265-N269 VanDerWaalsContact O-N 3.08Å; D266-N269 PolarHBondContact O-N 3.11Å; N269-L272 PolarHBondContact O-N 3.04Å; N269-S273 WeakPolarHBondContact O-CB 3.48Å; N269-S273 PolarHBondContact O-N 2.91Å; N269-S273 PolarHBondContact O-OG 3.14Å
270	Y	93.4	Very high	92.5	Very high	84 Å²	84	48 Å²	48	33%	0.329	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-48.8	173.9	174	-112.7	0	0	0	112.5	L212 D266 N267 L268 L272 S273 K274 L280	L212-Y270 HydrophobicContact CD1-CD2 4.42Å; D266-Y270 WeakPolarHBondContact O-CB 3.34Å; D266-Y270 PolarHBondContact O-N 2.89Å; N267-Y270 PolarHBondContact O-N 3.41Å; L268-Y270 VanDerWaalsContact C-N 3.28Å; L268-Y270 PolarHBondContact O-N 3.06Å; Y270-L272 PolarHBondContact O-N 3.41Å; Y270-S273 PolarHBondContact O-N 3.15Å; Y270-K274 HydrophobicContact CD2-CB 4Å; Y270-K274 HydrophobicContact CE1-CB 4.41Å; Y270-K274 HydrophobicContact CE1-CD 4.19Å; Y270-K274 HydrophobicContact CE2-CB 3.55Å; Y270-K274 WeakPolarHBondContact O-CB 3.39Å; Y270-K274 PolarHBondContact O-N 3.29Å; Y270-L280 HydrophobicContact CD1-CD1 3.97Å; Y270-L280 HydrophobicContact CD2-CD1 4.28Å; Y270-L280 HydrophobicContact CD2-CG 3.93Å; Y270-L280 HydrophobicContact CG-CD1 3.71Å; Y270-L280 HydrophobicContact CG-CG 3.77Å
271	T	94.1	Very high	91.9	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-36.2	-179.6	-64.1	0	0	0	0	111.9	N267 L268 S273 W346	N267-T271 VanDerWaalsContact O-CB 3.29Å; N267-T271 WeakPolarHBondContact O-CB 3.46Å; N267-T271 PolarHBondContact O-N 3.38Å; N267-T271 PolarHBondContact O-OG1 3.46Å; L268-T271 PolarHBondContact O-N 3.2Å; L268-T271 VanDerWaalsContact O-N 3.17Å; T271-S273 VanDerWaalsContact C-N 3.34Å; T271-W346 HydrophobicContact CG2-CH2 4.41Å; T271-W346 HydrophobicContact CG2-CZ2 4.14Å
272	L	95.4	Very high	91.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.9	-179.8	-64.5	172.3	0	0	0	114.2	Y191 L198 L268 N269 Y270 W346 K350 T353 V354	Y191-L272 HydrophobicContact CD2-CD1 3.98Å; L198-L272 HydrophobicContact CD2-CD1 3.82Å; L268-L272 HydrophobicContact CD1-CD1 4.05Å; L268-L272 HydrophobicContact CD1-CG 4.34Å; L268-L272 HydrophobicContact CD2-CD1 4.36Å; L268-L272 HydrophobicContact CG-CD1 3.79Å; L268-L272 HydrophobicContact CG-CG 4.41Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.4Å; N269-L272 PolarHBondContact O-N 3.04Å; Y270-L272 PolarHBondContact O-N 3.41Å; L272-W346 HydrophobicContact CD2-CH2 4.45Å; L272-K350 HydrophobicContact CD2-CG 4.18Å; L272-T353 HydrophobicContact CD1-CG2 3.84Å; L272-T353 HydrophobicContact CD2-CG2 3.96Å; L272-T353 HydrophobicContact CG-CG2 4.36Å; L272-V354 HydrophobicContact CD2-CG2 4.29Å
273	S	95.1	Very high	90.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-11.6	-172.1	65.4	0	0	0	0	116.2	I202 N269 Y270 T271 E275 F276	I202-S273 VanDerWaalsContact CD1-CB 3.41Å; N269-S273 WeakPolarHBondContact O-CB 3.48Å; N269-S273 PolarHBondContact O-N 2.91Å; N269-S273 PolarHBondContact O-OG 3.14Å; Y270-S273 PolarHBondContact O-N 3.15Å; T271-S273 VanDerWaalsContact C-N 3.34Å; S273-E275 PolarHBondContact O-N 3.37Å; S273-E275 VanDerWaalsContact O-N 3.07Å; S273-F276 PolarHBondContact O-N 3Å
274	K	94.2	Very high	89.3	Confident	91 Å²	91	64.4 Å²	64.4	40%	0.396	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-54.2	-30.7	-177	64.6	-179.1	-177.4	176.7	0	114.3	Y270 F276 G277	Y270-K274 HydrophobicContact CD2-CB 4Å; Y270-K274 HydrophobicContact CE1-CB 4.41Å; Y270-K274 HydrophobicContact CE1-CD 4.19Å; Y270-K274 HydrophobicContact CE2-CB 3.55Å; Y270-K274 WeakPolarHBondContact O-CB 3.39Å; Y270-K274 PolarHBondContact O-N 3.29Å; K274-F276 PolarHBondContact O-N 3.35Å; K274-G277 PolarHBondContact O-N 2.88Å; K274-G277 VanDerWaalsContact O-N 3.14Å
275	E	94.6	Very high	88.6	Confident	128 Å²	128	65.9 Å²	65.9	60%	0.598	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.7	-179.5	-62.5	176.7	-163.8	0	0	112.4	S273 G277	S273-E275 PolarHBondContact O-N 3.37Å; S273-E275 VanDerWaalsContact O-N 3.07Å; E275-G277 VanDerWaalsContact C-N 3.32Å
276	F	94.3	Very high	88.3	Confident	70 Å²	70	68.1 Å²	68.1	31%	0.307	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-93.2	13.1	176.4	-51.9	-68.8	0	0	0	113.2	S273 K274 L278 V354 V357 G358 V361	S273-F276 PolarHBondContact O-N 3Å; K274-F276 PolarHBondContact O-N 3.35Å; F276-L278 HydrophobicContact CB-CD1 3.73Å; F276-V354 HydrophobicContact CE2-CG1 3.91Å; F276-V354 WeakPolarHBondContact CE2-O 3.45Å; F276-V354 HydrophobicContact CZ-CG1 3.97Å; F276-V354 VanDerWaalsContact CZ-O 3.31Å; F276-V354 WeakPolarHBondContact CZ-O 3.5Å; F276-V357 HydrophobicContact CD2-CG1 3.75Å; F276-V357 HydrophobicContact CE2-CB 4.04Å; F276-V357 HydrophobicContact CE2-CG1 3.77Å; F276-G358 VanDerWaalsContact CZ-N 3.34Å; F276-V361 HydrophobicContact CB-CG1 4.38Å; F276-V361 HydrophobicContact CB-CG2 3.88Å; F276-V361 HydrophobicContact CD2-CG2 4.33Å; F276-V361 HydrophobicContact CG-CG2 4Å
277	G	90.7	Very high	88.2	Confident	50 Å²	50	70.9 Å²	70.9	52%	0.515	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	7.3	177.2	0	0	0	0	0	114.9	K274 E275	K274-G277 PolarHBondContact O-N 2.88Å; K274-G277 VanDerWaalsContact O-N 3.14Å; E275-G277 VanDerWaalsContact C-N 3.32Å
278	L	92.7	Very high	87.9	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	34%	0.343	C	S	.	.			trans	-73.4	141.1	175.5	-72.4	81.6	0	0	0	110.9	I202 A205 L206 G210 L212 F276 V361	I202-L278 HydrophobicContact CD1-CD2 3.73Å; I202-L278 HydrophobicContact CG2-CD2 4.27Å; A205-L278 HydrophobicContact CB-CD2 3.79Å; L206-L278 HydrophobicContact CD2-CD1 4.41Å; G210-L278 WeakPolarHBondContact O-CA 3.45Å; L212-L278 HydrophobicContact CD1-CB 4.07Å; L212-L278 HydrophobicContact CD1-CD2 4.45Å; L212-L278 HydrophobicContact CD2-CD2 4.04Å; L212-L278 HydrophobicContact CG-CB 4.33Å; L212-L278 HydrophobicContact CG-CD2 4.17Å; F276-L278 HydrophobicContact CB-CD1 3.73Å; L278-V361 HydrophobicContact CD1-CG2 4.45Å
279	R	91.7	Very high	87.7	Confident	186 Å²	186	73 Å²	73	70%	0.702	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.2	-176.7	-60.8	-178.6	-177.8	-174	-1	110.3	G210 I211 L212	G210-R279 PolarHBondContact O-N 2.73Å; I211-R279 WeakPolarHBondContact CA-O 3.42Å; L212-R279 PolarHBondContact N-O 3.45Å
280	L	87.7	Confident	87.5	Confident	45 Å²	45	75.9 Å²	75.9	24%	0.236	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.9	170.1	-74	167.9	0	0	0	110.3	L212 D266 Y270 S282	L212-L280 HydrophobicContact CB-CD2 4.11Å; L212-L280 HydrophobicContact CD1-CD2 4.46Å; D266-L280 HydrophobicContact CB-CD2 4.18Å; Y270-L280 HydrophobicContact CD1-CD1 3.97Å; Y270-L280 HydrophobicContact CD2-CD1 4.28Å; Y270-L280 HydrophobicContact CD2-CG 3.93Å; Y270-L280 HydrophobicContact CG-CD1 3.71Å; Y270-L280 HydrophobicContact CG-CG 3.77Å; L280-S282 PolarHBondContact O-N 3.3Å; L280-S282 VanDerWaalsContact O-N 3.12Å
281	D	84.4	Confident	87.2	Confident	39 Å²	39	73 Å²	73	21%	0.209	38%	0.375	C	S	.	.			trans	-61.1	114.4	170.2	-163	-11.9	0	0	0	109.6	I211 L212 R283	I211-D281 HydrophobicContact CG2-CB 3.63Å; L212-D281 WeakPolarHBondContact O-CB 3.23Å; L212-D281 PolarHBondContact O-N 2.82Å; D281-R283 WeakPolarHBondContact OD1-CB 3.32Å; D281-R283 WeakPolarHBondContact OD1-CG 3.37Å; D281-R283 IonicContact OD1-CZ 2.74Å; D281-R283 PolarHBondContact OD1-N 3.35Å; D281-R283 IonicContact OD1-NE 3.4Å; D281-R283 PolarHBondContact OD1-NE 2.86Å; D281-R283 IonicContact OD1-NH2 3.75Å; D281-R283 IonicContact OD2-CZ 2.81Å; D281-R283 IonicContact OD2-NE 2.78Å; D281-R283 PolarHBondContact OD2-NE 2.88Å; D281-R283 VanDerWaalsContact OD2-NE 3.07Å; D281-R283 IonicContact OD2-NH2 2.83Å; D281-R283 PolarHBondContact OD2-NH2 3.4Å
282	S	77.9	Confident	87	Confident	119 Å²	119	74.9 Å²	74.9	83%	0.832	38%	0.379	S	S	*	.			trans	-96.8	4.1	179	57.5	0	0	0	0	112.8	L280	L280-S282 PolarHBondContact O-N 3.3Å; L280-S282 VanDerWaalsContact O-N 3.12Å
283	R	78	Confident	86.7	Confident	160 Å²	160	82.4 Å²	82.4	60%	0.604	41%	0.407	S	S	*	.	S	Bend	trans	-64.9	152.8	178.7	-69.2	179	-71.3	-173.8	0.2	111.3	D281 S285	D281-R283 WeakPolarHBondContact OD1-CB 3.32Å; D281-R283 WeakPolarHBondContact OD1-CG 3.37Å; D281-R283 IonicContact OD1-CZ 2.74Å; D281-R283 PolarHBondContact OD1-N 3.35Å; D281-R283 IonicContact OD1-NE 3.4Å; D281-R283 PolarHBondContact OD1-NE 2.86Å; D281-R283 IonicContact OD1-NH2 3.75Å; D281-R283 IonicContact OD2-CZ 2.81Å; D281-R283 IonicContact OD2-NE 2.78Å; D281-R283 PolarHBondContact OD2-NE 2.88Å; D281-R283 VanDerWaalsContact OD2-NE 3.07Å; D281-R283 IonicContact OD2-NH2 2.83Å; D281-R283 PolarHBondContact OD2-NH2 3.4Å; R283-S285 PolarHBondContact O-N 3.19Å
284	W	69.7	Low	86.5	Confident	205 Å²	205	85 Å²	85	78%	0.777	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-60.4	121.8	176.1	-174.4	85.7	0	0	0	110	L286	W284-L286 HydrophobicContact CH2-CD2 4.29Å; W284-L286 HydrophobicContact CZ3-CD2 3.7Å
285	S	74.3	Confident	86.3	Confident	37 Å²	37	80.7 Å²	80.7	26%	0.259	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-100	142	176.9	26.3	0	0	0	0	111	K217 R283	K217-S285 WeakPolarHBondContact CE-OG 3.33Å; K217-S285 PolarHBondContact NZ-O 2.78Å; K217-S285 PolarHBondContact NZ-OG 2.89Å; R283-S285 PolarHBondContact O-N 3.19Å
286	L	81.8	Confident	86.1	Confident	69 Å²	69	77.8 Å²	77.8	36%	0.361	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-56.4	154.5	179.5	-62.2	169.3	0	0	0	111.9	W284 L290 I291 I294	W284-L286 HydrophobicContact CH2-CD2 4.29Å; W284-L286 HydrophobicContact CZ3-CD2 3.7Å; L286-L290 HydrophobicContact CB-CD2 4.23Å; L286-L290 HydrophobicContact CD1-CD2 4.22Å; L286-L290 HydrophobicContact CD2-CD2 3.84Å; L286-L290 HydrophobicContact CG-CD2 4.32Å; L286-I291 HydrophobicContact CB-CD1 4.21Å; L286-I291 HydrophobicContact CB-CG1 3.75Å; L286-I291 WeakPolarHBondContact O-CD1 3.31Å; L286-I294 HydrophobicContact CD1-CD1 3.73Å
287	P	87	Confident	86	Confident	74 Å²	74	79.2 Å²	79.2	48%	0.481	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-54.4	141.3	170.5	-25.4	34.6	0	0	0	111.9	A289 L290 I291	P287-A289 VanDerWaalsContact C-N 3.26Å; P287-A289 PolarHBondContact O-N 2.98Å; P287-L290 WeakPolarHBondContact O-CA 3.33Å; P287-L290 WeakPolarHBondContact O-CB 3.5Å; P287-L290 PolarHBondContact O-N 2.68Å; P287-I291 PolarHBondContact O-N 2.84Å; P287-I291 VanDerWaalsContact O-N 3.1Å
288	L	84.8	Confident	85.9	Confident	50 Å²	50	78.2 Å²	78.2	26%	0.262	38%	0.38	S	S	.	.	H	α-helix	trans	-55.4	-39.3	-174.6	-177.5	62.4	0	0	0	113	Y134 L290 I291 Y292 V320 N324	Y134-L288 HydrophobicContact CG-CD2 4.29Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 PolarHBondContact O-N 3.42Å; L288-I291 PolarHBondContact O-N 3.41Å; L288-Y292 WeakPolarHBondContact O-CB 3.35Å; L288-Y292 PolarHBondContact O-N 2.86Å; L288-V320 HydrophobicContact CD1-CG1 3.5Å; L288-N324 HydrophobicContact CD1-CB 3.95Å; L288-N324 HydrophobicContact CD2-CB 4.06Å
289	A	87	Confident	85.8	Confident	69 Å²	69	80.5 Å²	80.5	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-39.4	176.6	0	0	0	0	0	112.3	P287 Y292 W293	P287-A289 VanDerWaalsContact C-N 3.26Å; P287-A289 PolarHBondContact O-N 2.98Å; A289-Y292 PolarHBondContact O-N 3.1Å; A289-W293 PolarHBondContact O-N 3.45Å
290	L	88.7	Confident	85.6	Confident	82 Å²	82	74.9 Å²	74.9	43%	0.429	37%	0.374	S	S	.	.	H	α-helix	trans	-70.8	-42.3	177.9	-177.5	59.6	0	0	0	111.2	L286 P287 L288 Y292 W293 I294	L286-L290 HydrophobicContact CB-CD2 4.23Å; L286-L290 HydrophobicContact CD1-CD2 4.22Å; L286-L290 HydrophobicContact CD2-CD2 3.84Å; L286-L290 HydrophobicContact CG-CD2 4.32Å; P287-L290 WeakPolarHBondContact O-CA 3.33Å; P287-L290 WeakPolarHBondContact O-CB 3.5Å; P287-L290 PolarHBondContact O-N 2.68Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 PolarHBondContact O-N 3.42Å; L290-Y292 VanDerWaalsContact C-N 3.28Å; L290-Y292 PolarHBondContact O-N 2.79Å; L290-W293 PolarHBondContact O-N 3.19Å; L290-I294 HydrophobicContact CD1-CD1 4.42Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 4.08Å; L290-I294 VanDerWaalsContact O-CG1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.4Å
291	I	88.1	Confident	85.6	Confident	22 Å²	22	75.8 Å²	75.8	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-59.7	-42	174.3	-60.8	177.9	0	0	0	110.4	L286 P287 L288 I294 G295 F315 V320	L286-I291 HydrophobicContact CB-CD1 4.21Å; L286-I291 HydrophobicContact CB-CG1 3.75Å; L286-I291 WeakPolarHBondContact O-CD1 3.31Å; P287-I291 PolarHBondContact O-N 2.84Å; P287-I291 VanDerWaalsContact O-N 3.1Å; L288-I291 PolarHBondContact O-N 3.41Å; I291-I294 PolarHBondContact O-N 3.11Å; I291-G295 PolarHBondContact O-N 3.4Å; I291-F315 HydrophobicContact CG2-CD2 4.3Å; I291-F315 HydrophobicContact CG2-CE2 3.83Å; I291-F315 HydrophobicContact CG2-CZ 4.23Å; I291-V320 HydrophobicContact CG2-CG1 4.01Å; I291-V320 HydrophobicContact CG2-CG2 3.62Å
292	Y	88.4	Confident	85.8	Confident	72 Å²	72	74.9 Å²	74.9	28%	0.282	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.7	-169.4	-86.6	0	0	0	112.1	L288 A289 L290 G295 F296 R317	L288-Y292 WeakPolarHBondContact O-CB 3.35Å; L288-Y292 PolarHBondContact O-N 2.86Å; A289-Y292 PolarHBondContact O-N 3.1Å; L290-Y292 VanDerWaalsContact C-N 3.28Å; L290-Y292 PolarHBondContact O-N 2.79Å; Y292-G295 PolarHBondContact O-N 2.9Å; Y292-F296 PolarHBondContact O-N 3.35Å; Y292-R317 HydrophobicContact CD1-CG 4.17Å; Y292-R317 HydrophobicContact CD2-CB 4.22Å; Y292-R317 HydrophobicContact CD2-CG 4.15Å; Y292-R317 HydrophobicContact CE1-CG 3.96Å; Y292-R317 HydrophobicContact CE2-CB 3.77Å; Y292-R317 HydrophobicContact CE2-CG 3.94Å; Y292-R317 HydrophobicContact CG-CG 4.27Å; Y292-R317 VanDerWaalsContact CZ-CD 3.45Å
293	W	90.6	Very high	86.1	Confident	159 Å²	159	76.4 Å²	76.4	60%	0.602	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-41.3	174.6	-87	115.2	0	0	0	113	A289 L290 G295 F296 L297	A289-W293 PolarHBondContact O-N 3.45Å; L290-W293 PolarHBondContact O-N 3.19Å; W293-G295 VanDerWaalsContact C-N 3.3Å; W293-G295 PolarHBondContact O-N 2.98Å; W293-F296 HydrophobicContact CE3-CB 4.49Å; W293-F296 AromaticContact CE3-CD1 3.88Å; W293-F296 HydrophobicContact CE3-CD1 3.88Å; W293-F296 HydrophobicContact CE3-CG 4.48Å; W293-F296 AromaticContact CZ3-CD1 3.77Å; W293-F296 HydrophobicContact CZ3-CD1 3.77Å; W293-F296 HydrophobicContact CZ3-CE1 4.04Å; W293-F296 WeakPolarHBondContact O-CB 3.17Å; W293-F296 PolarHBondContact O-N 3.33Å; W293-L297 WeakPolarHBondContact O-CG 3.34Å; W293-L297 PolarHBondContact O-N 3.08Å
294	I	90.7	Very high	86.6	Confident	55 Å²	55	74.4 Å²	74.4	28%	0.282	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-42.3	173.6	-67.1	165	0	0	0	110.1	L286 L290 I291 F296 L297 L298 F315	L286-I294 HydrophobicContact CD1-CD1 3.73Å; L290-I294 HydrophobicContact CD1-CD1 4.42Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 4.08Å; L290-I294 VanDerWaalsContact O-CG1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.4Å; I291-I294 PolarHBondContact O-N 3.11Å; I294-F296 VanDerWaalsContact C-N 3.29Å; I294-F296 PolarHBondContact O-N 2.75Å; I294-L297 PolarHBondContact O-N 2.83Å; I294-L297 VanDerWaalsContact O-N 3.15Å; I294-L298 HydrophobicContact CG2-CD1 4.01Å; I294-L298 HydrophobicContact CG2-CG 4.28Å; I294-L298 WeakPolarHBondContact O-CG 3.5Å; I294-L298 PolarHBondContact O-N 2.69Å; I294-F315 HydrophobicContact CB-CE2 4.34Å; I294-F315 HydrophobicContact CB-CZ 4.26Å; I294-F315 HydrophobicContact CG2-CE2 4.05Å; I294-F315 HydrophobicContact CG2-CZ 3.67Å
295	G	89.1	Confident	87.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-41.6	174.5	0	0	0	0	0	112.5	I291 Y292 W293 L298 E299	I291-G295 PolarHBondContact O-N 3.4Å; Y292-G295 PolarHBondContact O-N 2.9Å; W293-G295 VanDerWaalsContact C-N 3.3Å; W293-G295 PolarHBondContact O-N 2.98Å; G295-L298 PolarHBondContact O-N 3.26Å; G295-E299 VanDerWaalsContact O-CG 3.32Å; G295-E299 WeakPolarHBondContact O-CG 3.14Å; G295-E299 PolarHBondContact O-N 3.03Å
296	F	90.1	Very high	88	Confident	67 Å²	67	71 Å²	71	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-44.9	174	175.2	-109.8	0	0	0	112.6	Y292 W293 I294 E299 I300 R317	Y292-F296 PolarHBondContact O-N 3.35Å; W293-F296 HydrophobicContact CE3-CB 4.49Å; W293-F296 AromaticContact CE3-CD1 3.88Å; W293-F296 HydrophobicContact CE3-CD1 3.88Å; W293-F296 HydrophobicContact CE3-CG 4.48Å; W293-F296 AromaticContact CZ3-CD1 3.77Å; W293-F296 HydrophobicContact CZ3-CD1 3.77Å; W293-F296 HydrophobicContact CZ3-CE1 4.04Å; W293-F296 WeakPolarHBondContact O-CB 3.17Å; W293-F296 PolarHBondContact O-N 3.33Å; I294-F296 VanDerWaalsContact C-N 3.29Å; I294-F296 PolarHBondContact O-N 2.75Å; F296-E299 WeakPolarHBondContact O-CB 3.39Å; F296-E299 PolarHBondContact O-N 3.31Å; F296-I300 HydrophobicContact CD1-CD1 3.96Å; F296-I300 HydrophobicContact CE1-CD1 3.42Å; F296-I300 VanDerWaalsContact CE1-CD1 3.42Å; F296-I300 HydrophobicContact CE1-CG1 4.5Å; F296-I300 HydrophobicContact CE2-CD1 4.2Å; F296-I300 HydrophobicContact CZ-CD1 3.58Å; F296-I300 HydrophobicContact CZ-CG1 4.35Å; F296-I300 PolarHBondContact O-N 2.83Å; F296-I300 VanDerWaalsContact O-N 3.11Å; F296-R317 HydrophobicContact CB-CG 4.4Å
297	L	92.4	Very high	88.2	Confident	101 Å²	101	73.2 Å²	73.2	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-41.5	177.6	-65.5	175.7	0	0	0	111.8	W293 I294 E299 I300 V301	W293-L297 WeakPolarHBondContact O-CG 3.34Å; W293-L297 PolarHBondContact O-N 3.08Å; I294-L297 PolarHBondContact O-N 2.83Å; I294-L297 VanDerWaalsContact O-N 3.15Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 3.15Å; L297-I300 WeakPolarHBondContact O-CB 3.5Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-I300 VanDerWaalsContact O-N 3.15Å; L297-V301 WeakPolarHBondContact O-CG2 3.19Å; L297-V301 PolarHBondContact O-N 3.32Å
298	L	90	Very high	88.2	Confident	29 Å²	29	77.1 Å²	77.1	15%	0.152	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-36.1	175.9	-71.5	172.6	0	0	0	112.3	I294 G295 V301 S302 Y311 P313 P314 F315	I294-L298 HydrophobicContact CG2-CD1 4.01Å; I294-L298 HydrophobicContact CG2-CG 4.28Å; I294-L298 WeakPolarHBondContact O-CG 3.5Å; I294-L298 PolarHBondContact O-N 2.69Å; G295-L298 PolarHBondContact O-N 3.26Å; L298-V301 PolarHBondContact O-N 3.48Å; L298-S302 WeakPolarHBondContact O-CB 3.44Å; L298-S302 PolarHBondContact O-N 2.98Å; L298-Y311 HydrophobicContact CD2-CE1 4.2Å; L298-P313 HydrophobicContact CB-CB 4.01Å; L298-P314 HydrophobicContact CD1-CG 3.94Å; L298-F315 HydrophobicContact CD1-CD2 4.4Å; L298-F315 HydrophobicContact CD1-CE1 4.29Å; L298-F315 HydrophobicContact CD1-CE2 4.06Å; L298-F315 HydrophobicContact CD1-CZ 4Å
299	E	88.8	Confident	88.2	Confident	51 Å²	51	81.6 Å²	81.6	24%	0.238	41%	0.405	C	S	.	.	H	α-helix	trans	-65	-41.4	173	-72.9	165.9	-159.2	0	0	111.8	G295 F296 L297 S302 F303 N316 R317	G295-E299 VanDerWaalsContact O-CG 3.32Å; G295-E299 WeakPolarHBondContact O-CG 3.14Å; G295-E299 PolarHBondContact O-N 3.03Å; F296-E299 WeakPolarHBondContact O-CB 3.39Å; F296-E299 PolarHBondContact O-N 3.31Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 3.15Å; E299-S302 PolarHBondContact O-N 3.45Å; E299-F303 WeakPolarHBondContact O-CB 3.36Å; E299-F303 PolarHBondContact O-N 3.34Å; E299-N316 HydrophobicContact CG-CB 4.12Å; E299-N316 WeakPolarHBondContact OE1-CB 3.4Å; E299-R317 VanDerWaalsContact OE1-CB 3.31Å; E299-R317 WeakPolarHBondContact OE1-CB 3.48Å; E299-R317 WeakPolarHBondContact OE1-CG 3.47Å; E299-R317 PolarHBondContact OE1-N 3Å; E299-R317 IonicContact OE1-NE 2.88Å; E299-R317 PolarHBondContact OE1-NE 3.29Å; E299-R317 IonicContact OE2-CZ 3.39Å; E299-R317 IonicContact OE2-NE 2.65Å; E299-R317 PolarHBondContact OE2-NE 2.62Å; E299-R317 IonicContact OE2-NH2 3.36Å; E299-R317 PolarHBondContact OE2-NH2 3.04Å
300	I	87.9	Confident	88	Confident	68 Å²	68	83 Å²	83	35%	0.349	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-46.6	174.5	-67.7	168.4	0	0	0	110.4	F296 L297 S302 F303 L304	F296-I300 HydrophobicContact CD1-CD1 3.96Å; F296-I300 HydrophobicContact CE1-CD1 3.42Å; F296-I300 VanDerWaalsContact CE1-CD1 3.42Å; F296-I300 HydrophobicContact CE1-CG1 4.5Å; F296-I300 HydrophobicContact CE2-CD1 4.2Å; F296-I300 HydrophobicContact CZ-CD1 3.58Å; F296-I300 HydrophobicContact CZ-CG1 4.35Å; F296-I300 PolarHBondContact O-N 2.83Å; F296-I300 VanDerWaalsContact O-N 3.11Å; L297-I300 WeakPolarHBondContact O-CB 3.5Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-I300 VanDerWaalsContact O-N 3.15Å; I300-S302 VanDerWaalsContact C-N 3.34Å; I300-S302 PolarHBondContact O-N 2.81Å; I300-F303 WeakPolarHBondContact O-CB 3.34Å; I300-F303 PolarHBondContact O-N 2.94Å; I300-L304 HydrophobicContact CG2-CD1 3.8Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 2.95Å
301	V	88.8	Confident	87.7	Confident	64 Å²	64	82.1 Å²	82.1	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-46.4	177.3	172.3	0	0	0	0	110.7	L297 L298 F303 L304 L305 Y311	L297-V301 WeakPolarHBondContact O-CG2 3.19Å; L297-V301 PolarHBondContact O-N 3.32Å; L298-V301 PolarHBondContact O-N 3.48Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 2.68Å; V301-L304 PolarHBondContact O-N 3.47Å; V301-L305 HydrophobicContact CG1-CD1 3.71Å; V301-L305 HydrophobicContact CG1-CG 4.26Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CG 3.26Å; V301-L305 PolarHBondContact O-N 3.07Å; V301-Y311 HydrophobicContact CG1-CD1 4.28Å; V301-Y311 HydrophobicContact CG1-CE1 4.42Å
302	S	87	Confident	87.4	Confident	20 Å²	20	87.9 Å²	87.9	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-59.7	-41.8	176.6	-173.2	0	0	0	0	111.7	L298 E299 I300 R306 Y311	L298-S302 WeakPolarHBondContact O-CB 3.44Å; L298-S302 PolarHBondContact O-N 2.98Å; E299-S302 PolarHBondContact O-N 3.45Å; I300-S302 VanDerWaalsContact C-N 3.34Å; I300-S302 PolarHBondContact O-N 2.81Å; S302-R306 WeakPolarHBondContact O-CB 3.33Å; S302-R306 PolarHBondContact O-N 2.89Å; S302-R306 VanDerWaalsContact O-N 3.09Å; S302-Y311 PolarHBondContact OG-O 3.17Å; S302-Y311 VanDerWaalsContact OG-O 3.14Å
303	F	85.8	Confident	87.2	Confident	150 Å²	150	84.6 Å²	84.6	66%	0.658	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-46.5	176.8	175.9	-98.7	0	0	0	112.7	E299 I300 V301 R306	E299-F303 WeakPolarHBondContact O-CB 3.36Å; E299-F303 PolarHBondContact O-N 3.34Å; I300-F303 WeakPolarHBondContact O-CB 3.34Å; I300-F303 PolarHBondContact O-N 2.94Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 2.68Å; F303-R306 VanDerWaalsContact O-CB 3.3Å; F303-R306 WeakPolarHBondContact O-CB 3.37Å; F303-R306 PolarHBondContact O-N 3.16Å
304	L	88.4	Confident	86.6	Confident	119 Å²	119	80.6 Å²	80.6	62%	0.623	40%	0.401	S	S	*	.	H	α-helix	trans	-68.6	-37.7	-179.1	-68	174.8	0	0	0	112.6	I300 V301 R306 P307	I300-L304 HydrophobicContact CG2-CD1 3.8Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 2.95Å; V301-L304 PolarHBondContact O-N 3.47Å; L304-R306 VanDerWaalsContact C-N 3.33Å; L304-P307 WeakPolarHBondContact O-CD 3.47Å
305	L	88.4	Confident	86.3	Confident	69 Å²	69	79.9 Å²	79.9	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-76.2	-21	178.7	-68.7	179.1	0	0	0	113	V301 P307 I308 Y309 Y311	V301-L305 HydrophobicContact CG1-CD1 3.71Å; V301-L305 HydrophobicContact CG1-CG 4.26Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CG 3.26Å; V301-L305 PolarHBondContact O-N 3.07Å; L305-P307 VanDerWaalsContact C-N 3.33Å; L305-P307 WeakPolarHBondContact O-CD 3.41Å; L305-P307 VanDerWaalsContact O-N 3.08Å; L305-I308 PolarHBondContact O-N 2.85Å; L305-Y309 CarbonylContact C-O 3.31Å; L305-Y309 VanDerWaalsContact C-O 3.31Å; L305-Y309 PolarHBondContact O-N 3.44Å; L305-Y311 HydrophobicContact CD1-CG 4.37Å
306	R	83.9	Confident	86.2	Confident	102 Å²	102	80.4 Å²	80.4	39%	0.385	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-40	-172	-163.9	178.6	-167.1	140.2	23.6	116.1	S302 F303 L304 I308	S302-R306 WeakPolarHBondContact O-CB 3.33Å; S302-R306 PolarHBondContact O-N 2.89Å; S302-R306 VanDerWaalsContact O-N 3.09Å; F303-R306 VanDerWaalsContact O-CB 3.3Å; F303-R306 WeakPolarHBondContact O-CB 3.37Å; F303-R306 PolarHBondContact O-N 3.16Å; L304-R306 VanDerWaalsContact C-N 3.33Å; R306-I308 PolarHBondContact O-N 3.23Å
307	P	85.5	Confident	86	Confident	115 Å²	115	80.8 Å²	80.8	75%	0.747	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.4	-179.9	-20.5	34.1	0	0	0	113.9	L304 L305	L304-P307 WeakPolarHBondContact O-CD 3.47Å; L305-P307 VanDerWaalsContact C-N 3.33Å; L305-P307 WeakPolarHBondContact O-CD 3.41Å; L305-P307 VanDerWaalsContact O-N 3.08Å
308	I	88.6	Confident	85.7	Confident	155 Å²	155	77.3 Å²	77.3	80%	0.795	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-33.5	-171.2	-54.1	168.5	0	0	0	110.9	L305 R306	L305-I308 PolarHBondContact O-N 2.85Å; R306-I308 PolarHBondContact O-N 3.23Å
309	Y	84.6	Confident	85.5	Confident	144 Å²	144	78.1 Å²	78.1	57%	0.565	38%	0.38	S	S	*	.			trans	-153.2	131.4	-174	-179.9	-107.6	0	0	0	112.3	L305 Y311	L305-Y309 CarbonylContact C-O 3.31Å; L305-Y309 VanDerWaalsContact C-O 3.31Å; L305-Y309 PolarHBondContact O-N 3.44Å; Y309-Y311 VanDerWaalsContact C-N 3.35Å; Y309-Y311 HydrophobicContact CE1-CD2 4.16Å; Y309-Y311 PolarHBondContact O-N 3.48Å
310	T	82.5	Confident	85.4	Confident	99 Å²	99	75.8 Å²	75.8	61%	0.607	37%	0.369	S	S	*	.			trans	-80.2	82.7	174	-53.3	0	0	0	0	110	R312	T310-R312 PolarHBondContact O-N 3.08Å
311	Y	82.3	Confident	85.3	Confident	64 Å²	64	73.5 Å²	73.5	25%	0.251	36%	0.358	S	S	.	.			trans	-71.1	123.4	174.3	178.5	-113.9	0	0	0	111.1	L298 V301 S302 L305 Y309 P313	L298-Y311 HydrophobicContact CD2-CE1 4.2Å; V301-Y311 HydrophobicContact CG1-CD1 4.28Å; V301-Y311 HydrophobicContact CG1-CE1 4.42Å; S302-Y311 PolarHBondContact OG-O 3.17Å; S302-Y311 VanDerWaalsContact OG-O 3.14Å; L305-Y311 HydrophobicContact CD1-CG 4.37Å; Y309-Y311 VanDerWaalsContact C-N 3.35Å; Y309-Y311 HydrophobicContact CE1-CD2 4.16Å; Y309-Y311 PolarHBondContact O-N 3.48Å; Y311-P313 HydrophobicContact CD1-CB 4.42Å; Y311-P313 HydrophobicContact CE1-CB 3.87Å; Y311-P313 WeakPolarHBondContact O-CD 3.36Å
312	R	82.6	Confident	85	Confident	142 Å²	142	71.7 Å²	71.7	54%	0.536	35%	0.346	S	S	.	.			trans	-95.9	104.4	173.4	-178.3	174	-177.6	-178.2	0.1	109.5	V91 T310	V91-R312 HydrophobicContact CG1-CB 3.83Å; V91-R312 HydrophobicContact CG1-CG 3.7Å; T310-R312 PolarHBondContact O-N 3.08Å
313	P	82.8	Confident	84.9	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.026	34%	0.344	C	S	.	.			trans	-68.7	146.4	179.3	30.3	-35.5	0	0	0	110.7	F89 L298 Y311 F315	F89-P313 WeakPolarHBondContact O-CG 3.43Å; L298-P313 HydrophobicContact CB-CB 4.01Å; Y311-P313 HydrophobicContact CD1-CB 4.42Å; Y311-P313 HydrophobicContact CE1-CB 3.87Å; Y311-P313 WeakPolarHBondContact O-CD 3.36Å; P313-F315 PolarHBondContact O-N 2.94Å
314	P	79.1	Confident	84.8	Confident	75 Å²	75	64.9 Å²	64.9	49%	0.487	32%	0.316	S	S	.	.	S	Bend	trans	-62.7	-30	179.3	25.1	-35.1	0	0	0	112.4	L298 R319	L298-P314 HydrophobicContact CD1-CG 3.94Å; P314-R319 PolarHBondContact O-NH1 3.18Å
315	F	84.3	Confident	84.6	Confident	39 Å²	39	59.4 Å²	59.4	17%	0.171	29%	0.288	C	S	.	.			trans	-155.9	165.7	171.6	56.9	-91.5	0	0	0	109.6	I215 I291 I294 L298 P313 V320	I215-F315 HydrophobicContact CD1-CB 4.39Å; I291-F315 HydrophobicContact CG2-CD2 4.3Å; I291-F315 HydrophobicContact CG2-CE2 3.83Å; I291-F315 HydrophobicContact CG2-CZ 4.23Å; I294-F315 HydrophobicContact CB-CE2 4.34Å; I294-F315 HydrophobicContact CB-CZ 4.26Å; I294-F315 HydrophobicContact CG2-CE2 4.05Å; I294-F315 HydrophobicContact CG2-CZ 3.67Å; L298-F315 HydrophobicContact CD1-CD2 4.4Å; L298-F315 HydrophobicContact CD1-CE1 4.29Å; L298-F315 HydrophobicContact CD1-CE2 4.06Å; L298-F315 HydrophobicContact CD1-CZ 4Å; P313-F315 PolarHBondContact O-N 2.94Å; F315-V320 HydrophobicContact CD2-CG2 3.69Å; F315-V320 HydrophobicContact CE2-CG2 4.35Å; F315-V320 HydrophobicContact CG-CG2 4.4Å
316	N	85.9	Confident	84.5	Confident	11 Å²	11	57.4 Å²	57.4	6%	0.059	28%	0.278	C	S	.	.			trans	-136	173.3	174.4	60.2	37.8	0	0	0	109.1	V88 F89 E299 H318 R319 V320	V88-N316 PolarHBondContact O-ND2 3.09Å; F89-N316 PolarHBondContact O-ND2 2.79Å; E299-N316 HydrophobicContact CG-CB 4.12Å; E299-N316 WeakPolarHBondContact OE1-CB 3.4Å; N316-H318 PolarHBondContact O-N 3.31Å; N316-H318 WeakPolarHBondContact OD1-CB 3.25Å; N316-H318 PolarHBondContact OD1-N 3.12Å; N316-H318 VanDerWaalsContact OD1-N 3.16Å; N316-R319 PolarHBondContact O-N 3.31Å; N316-R319 PolarHBondContact OD1-N 2.89Å; N316-V320 VanDerWaalsContact O-CG2 3.31Å; N316-V320 WeakPolarHBondContact O-CG2 3.29Å; N316-V320 PolarHBondContact O-N 2.9Å; N316-V320 VanDerWaalsContact O-N 3.07Å
317	R	87.6	Confident	84.6	Confident	76 Å²	76	52.8 Å²	52.8	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-37.6	-178.5	-71.1	-177.3	-71.6	166	-0.9	112.3	Y292 F296 E299 V320 T321	Y292-R317 HydrophobicContact CD1-CG 4.17Å; Y292-R317 HydrophobicContact CD2-CB 4.22Å; Y292-R317 HydrophobicContact CD2-CG 4.15Å; Y292-R317 HydrophobicContact CE1-CG 3.96Å; Y292-R317 HydrophobicContact CE2-CB 3.77Å; Y292-R317 HydrophobicContact CE2-CG 3.94Å; Y292-R317 HydrophobicContact CG-CG 4.27Å; Y292-R317 VanDerWaalsContact CZ-CD 3.45Å; F296-R317 HydrophobicContact CB-CG 4.4Å; E299-R317 VanDerWaalsContact OE1-CB 3.31Å; E299-R317 WeakPolarHBondContact OE1-CB 3.48Å; E299-R317 WeakPolarHBondContact OE1-CG 3.47Å; E299-R317 PolarHBondContact OE1-N 3Å; E299-R317 IonicContact OE1-NE 2.88Å; E299-R317 PolarHBondContact OE1-NE 3.29Å; E299-R317 IonicContact OE2-CZ 3.39Å; E299-R317 IonicContact OE2-NE 2.65Å; E299-R317 PolarHBondContact OE2-NE 2.62Å; E299-R317 IonicContact OE2-NH2 3.36Å; E299-R317 PolarHBondContact OE2-NH2 3.04Å; R317-V320 PolarHBondContact O-N 3.42Å; R317-T321 WeakPolarHBondContact O-CB 3.47Å; R317-T321 PolarHBondContact O-N 2.94Å; R317-T321 PolarHBondContact O-OG1 2.9Å
318	H	86	Confident	84.9	Confident	27 Å²	27	47.4 Å²	47.4	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-46.9	179.9	174.6	62.3	0	0	0	112.2	E127 A153 N316 T321 L322	E127-H318 IonicContact OE2-CE1 2.85Å; E127-H318 PolarHBondContact OE2-CE1 3.05Å; E127-H318 IonicContact OE2-NE2 3.32Å; E127-H318 PolarHBondContact OE2-NE2 3.04Å; E127-H318 VanDerWaalsContact OE2-NE2 3.12Å; A153-H318 HydrophobicContact CB-CB 4.09Å; N316-H318 PolarHBondContact O-N 3.31Å; N316-H318 WeakPolarHBondContact OD1-CB 3.25Å; N316-H318 PolarHBondContact OD1-N 3.12Å; N316-H318 VanDerWaalsContact OD1-N 3.16Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.34Å; H318-L322 WeakPolarHBondContact O-CB 3.3Å; H318-L322 PolarHBondContact O-N 3.44Å
319	R	85.3	Confident	85.1	Confident	47 Å²	47	40.1 Å²	40.1	18%	0.177	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-42.6	175	-75	-178.7	67.2	-155.2	-1.5	112.6	V88 F89 P314 N316 T321 L322 S323	V88-R319 HydrophobicContact CB-CG 4.17Å; V88-R319 WeakPolarHBondContact O-CD 3.25Å; V88-R319 WeakPolarHBondContact O-CG 3.47Å; F89-R319 VanDerWaalsContact CD1-NH1 3.34Å; P314-R319 PolarHBondContact O-NH1 3.18Å; N316-R319 PolarHBondContact O-N 3.31Å; N316-R319 PolarHBondContact OD1-N 2.89Å; R319-T321 VanDerWaalsContact C-N 3.26Å; R319-T321 PolarHBondContact O-N 3.32Å; R319-L322 PolarHBondContact O-N 3.06Å; R319-S323 WeakPolarHBondContact O-CB 3.21Å; R319-S323 PolarHBondContact O-N 2.77Å; R319-S323 PolarHBondContact O-OG 3.18Å
320	V	86.6	Confident	85.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-42.7	177.4	172.9	0	0	0	0	110.7	L288 I291 F315 N316 R317 N324	L288-V320 HydrophobicContact CD1-CG1 3.5Å; I291-V320 HydrophobicContact CG2-CG1 4.01Å; I291-V320 HydrophobicContact CG2-CG2 3.62Å; F315-V320 HydrophobicContact CD2-CG2 3.69Å; F315-V320 HydrophobicContact CE2-CG2 4.35Å; F315-V320 HydrophobicContact CG-CG2 4.4Å; N316-V320 VanDerWaalsContact O-CG2 3.31Å; N316-V320 WeakPolarHBondContact O-CG2 3.29Å; N316-V320 PolarHBondContact O-N 2.9Å; N316-V320 VanDerWaalsContact O-N 3.07Å; R317-V320 PolarHBondContact O-N 3.42Å; V320-N324 WeakPolarHBondContact O-CB 3.27Å; V320-N324 PolarHBondContact O-N 3.04Å; V320-N324 PolarHBondContact O-ND2 3.4Å
321	T	84.9	Confident	86.1	Confident	21 Å²	21	31.2 Å²	31.2	13%	0.129	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-46.6	178.5	-61.4	0	0	0	0	111.2	N132 R317 H318 R319 N324 S325	N132-T321 WeakPolarHBondContact O-CG2 3.34Å; R317-T321 WeakPolarHBondContact O-CB 3.47Å; R317-T321 PolarHBondContact O-N 2.94Å; R317-T321 PolarHBondContact O-OG1 2.9Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.34Å; R319-T321 VanDerWaalsContact C-N 3.26Å; R319-T321 PolarHBondContact O-N 3.32Å; T321-N324 PolarHBondContact O-N 2.93Å; T321-S325 PolarHBondContact O-OG 3.47Å
322	L	83.4	Confident	86.8	Confident	25 Å²	25	35.2 Å²	35.2	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-47.7	176.5	-169.5	76.9	0	0	0	112	E127 N132 Y265 H318 R319 N324	E127-L322 HydrophobicContact CG-CD1 4.44Å; N132-L322 WeakPolarHBondContact ND2-CD1 3.16Å; Y265-L322 HydrophobicContact CE2-CG 4.14Å; H318-L322 WeakPolarHBondContact O-CB 3.3Å; H318-L322 PolarHBondContact O-N 3.44Å; R319-L322 PolarHBondContact O-N 3.06Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 3.33Å
323	S	84	Confident	87.5	Confident	14 Å²	14	29.2 Å²	29.2	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-74.6	-6.8	-176.6	-64.3	0	0	0	0	114.4	G216 S219 R319	G216-S323 WeakPolarHBondContact CA-O 3.34Å; S219-S323 WeakPolarHBondContact CB-O 3.45Å; S219-S323 PolarHBondContact OG-O 3.26Å; R319-S323 WeakPolarHBondContact O-CB 3.21Å; R319-S323 PolarHBondContact O-N 2.77Å; R319-S323 PolarHBondContact O-OG 3.18Å
324	N	84.7	Confident	88.1	Confident	13 Å²	13	29 Å²	29	7%	0.07	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	25.6	-177	-73	-80.6	0	0	0	114.1	I215 K217 L288 V320 T321 L322	I215-N324 PolarHBondContact O-ND2 2.9Å; I215-N324 PolarHBondContact O-OD1 3.32Å; K217-N324 PolarHBondContact N-OD1 2.89Å; L288-N324 HydrophobicContact CD1-CB 3.95Å; L288-N324 HydrophobicContact CD2-CB 4.06Å; V320-N324 WeakPolarHBondContact O-CB 3.27Å; V320-N324 PolarHBondContact O-N 3.04Å; V320-N324 PolarHBondContact O-ND2 3.4Å; T321-N324 PolarHBondContact O-N 2.93Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 3.33Å
325	S	82.9	Confident	89	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.028	14%	0.138	C	C	.	.	S	Bend	trans	-126.3	152.9	-179.2	-59.8	0	0	0	0	112.4	N132 Y134 S219 T220 T321	N132-S325 PolarHBondContact O-OG 3.41Å; Y134-S325 PolarHBondContact N-OG 3.47Å; S219-S325 VanDerWaalsContact CA-O 3.29Å; S219-S325 WeakPolarHBondContact CA-O 3.4Å; S219-S325 WeakPolarHBondContact CB-O 3.34Å; T220-S325 PolarHBondContact N-O 3Å; T321-S325 PolarHBondContact O-OG 3.47Å
326	V	86.7	Confident	89.6	Confident	28 Å²	28	35.3 Å²	35.3	17%	0.17	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.2	170.6	176.9	0	0	0	0	107.8	I137 I138 Q139 T220	I137-V326 HydrophobicContact CB-CB 4.45Å; I137-V326 HydrophobicContact CG1-CB 4.29Å; I137-V326 HydrophobicContact CG2-CB 3.81Å; I137-V326 HydrophobicContact CG2-CG1 3.76Å; I138-V326 PolarHBondContact N-O 3.12Å; I138-V326 CarbonylContact O-C 3.5Å; Q139-V326 HydrophobicContact CB-CG1 4.45Å; T220-V326 WeakPolarHBondContact O-CA 3.4Å
327	F	87.3	Confident	90.1	Very high	5 Å²	5	36 Å²	36	2%	0.022	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	83.8	-171.6	-159.3	-118.3	0	0	0	109.8	I126 A129 N132 I138 T220 F329	I126-F327 HydrophobicContact CB-CE1 4.44Å; I126-F327 HydrophobicContact CG1-CD1 3.98Å; I126-F327 HydrophobicContact CG1-CE1 3.58Å; I126-F327 HydrophobicContact CG2-CE1 4.36Å; A129-F327 HydrophobicContact CB-CZ 4.03Å; N132-F327 VanDerWaalsContact CG-CG 3.42Å; N132-F327 VanDerWaalsContact ND2-CB 3.32Å; N132-F327 WeakPolarHBondContact ND2-CB 3.08Å; N132-F327 WeakPolarHBondContact ND2-CD1 3.23Å; N132-F327 WeakPolarHBondContact ND2-CG 3.38Å; N132-F327 WeakPolarHBondContact OD1-CD1 2.94Å; N132-F327 WeakPolarHBondContact OD1-CD2 3.34Å; N132-F327 WeakPolarHBondContact OD1-CE1 3.45Å; N132-F327 WeakPolarHBondContact OD1-CE2 3.46Å; N132-F327 WeakPolarHBondContact OD1-CG 2.83Å; N132-F327 WeakPolarHBondContact OD1-CZ 3.11Å; I138-F327 HydrophobicContact CB-CD2 3.89Å; I138-F327 HydrophobicContact CB-CE2 4.29Å; I138-F327 HydrophobicContact CD1-CD2 4.07Å; I138-F327 HydrophobicContact CD1-CE2 3.61Å; I138-F327 HydrophobicContact CG1-CD2 4.09Å; I138-F327 HydrophobicContact CG1-CE2 4.15Å; I138-F327 VanDerWaalsContact O-CA 3.29Å; I138-F327 WeakPolarHBondContact O-CA 3.34Å; I138-F327 PolarHBondContact O-N 3.41Å; T220-F327 PolarHBondContact O-N 2.9Å; F327-F329 HydrophobicContact CD1-CD2 4.37Å; F327-F329 AromaticContact CD1-CE2 3.54Å; F327-F329 HydrophobicContact CD1-CE2 3.54Å; F327-F329 HydrophobicContact CD1-CZ 4.43Å; F327-F329 AromaticContact CD2-CE2 3.81Å; F327-F329 HydrophobicContact CD2-CE2 3.81Å; F327-F329 HydrophobicContact CD2-CZ 4.14Å; F327-F329 HydrophobicContact CE1-CD2 4.46Å; F327-F329 AromaticContact CE1-CE2 3.44Å; F327-F329 HydrophobicContact CE1-CE2 3.44Å; F327-F329 VanDerWaalsContact CE1-CE2 3.44Å; F327-F329 AromaticContact CE1-CZ 3.99Å; F327-F329 HydrophobicContact CE1-CZ 3.99Å; F327-F329 AromaticContact CE2-CE2 3.7Å; F327-F329 HydrophobicContact CE2-CE2 3.7Å; F327-F329 AromaticContact CE2-CZ 3.66Å; F327-F329 HydrophobicContact CE2-CZ 3.66Å; F327-F329 AromaticContact CG-CE2 3.74Å; F327-F329 HydrophobicContact CG-CE2 3.74Å; F327-F329 AromaticContact CZ-CE2 3.51Å; F327-F329 HydrophobicContact CZ-CE2 3.51Å; F327-F329 AromaticContact CZ-CZ 3.57Å; F327-F329 HydrophobicContact CZ-CZ 3.57Å
328	T	90.9	Very high	90.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.3	179.6	70	0	0	0	0	111.2	I138 N140 G141 T220 N222	I138-T328 PolarHBondContact O-N 2.92Å; N140-T328 WeakPolarHBondContact CA-O 3.38Å; N140-T328 PolarHBondContact N-O 3.21Å; N140-T328 PolarHBondContact N-OG1 3.37Å; N140-T328 PolarHBondContact OD1-OG1 3.18Å; G141-T328 PolarHBondContact N-O 3.42Å; T220-T328 HydrophobicContact CG2-CG2 4.14Å; N222-T328 HydrophobicContact CB-CG2 4.34Å; N222-T328 WeakPolarHBondContact OD1-CA 3.41Å
329	F	92.1	Very high	91	Very high	3 Å²	3	34 Å²	34	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.9	-176	-70.1	-94.4	0	0	0	111.5	I126 A129 I138 G141 L147 N222 Y255 F327	I126-F329 HydrophobicContact CD1-CB 4Å; I126-F329 HydrophobicContact CD1-CD1 4.14Å; I126-F329 HydrophobicContact CD1-CD2 3.1Å; I126-F329 HydrophobicContact CD1-CE1 4.45Å; I126-F329 HydrophobicContact CD1-CE2 3.51Å; I126-F329 HydrophobicContact CD1-CG 3.46Å; I126-F329 VanDerWaalsContact CD1-CG 3.46Å; I126-F329 HydrophobicContact CD1-CZ 4.16Å; I126-F329 HydrophobicContact CG1-CD2 3.61Å; I126-F329 HydrophobicContact CG1-CE2 3.67Å; I126-F329 HydrophobicContact CG1-CG 4.43Å; A129-F329 HydrophobicContact CB-CE1 4.04Å; A129-F329 HydrophobicContact CB-CZ 3.74Å; I138-F329 HydrophobicContact CD1-CZ 4.26Å; I138-F329 HydrophobicContact CG2-CE1 4.01Å; I138-F329 HydrophobicContact CG2-CE2 4.3Å; I138-F329 HydrophobicContact CG2-CZ 3.8Å; G141-F329 CarbonylContact O-C 3.5Å; G141-F329 VanDerWaalsContact O-CA 3.32Å; G141-F329 WeakPolarHBondContact O-CA 2.96Å; G141-F329 WeakPolarHBondContact O-CD1 3.28Å; L147-F329 HydrophobicContact CD1-CE1 3.72Å; L147-F329 HydrophobicContact CD1-CZ 4.05Å; N222-F329 PolarHBondContact ND2-N 2.65Å; N222-F329 PolarHBondContact ND2-O 3.03Å; Y255-F329 HydrophobicContact CD1-CB 4.14Å; Y255-F329 HydrophobicContact CD1-CD1 4.01Å; Y255-F329 HydrophobicContact CD1-CG 4.06Å; Y255-F329 HydrophobicContact CD2-CB 4.17Å; Y255-F329 AromaticContact CD2-CD1 3.8Å; Y255-F329 HydrophobicContact CD2-CD1 3.8Å; Y255-F329 HydrophobicContact CD2-CG 4.33Å; Y255-F329 AromaticContact CE1-CD1 3.64Å; Y255-F329 HydrophobicContact CE1-CD1 3.64Å; Y255-F329 AromaticContact CE1-CE1 3.9Å; Y255-F329 HydrophobicContact CE1-CE1 3.9Å; Y255-F329 HydrophobicContact CE1-CG 4.04Å; Y255-F329 HydrophobicContact CE1-CZ 4.49Å; Y255-F329 AromaticContact CE2-CD1 3.44Å; Y255-F329 HydrophobicContact CE2-CD1 3.44Å; Y255-F329 VanDerWaalsContact CE2-CD1 3.44Å; Y255-F329 AromaticContact CE2-CE1 3.93Å; Y255-F329 HydrophobicContact CE2-CE1 3.93Å; Y255-F329 HydrophobicContact CE2-CG 4.35Å; Y255-F329 HydrophobicContact CG-CB 3.89Å; Y255-F329 HydrophobicContact CG-CD1 4.06Å; Y255-F329 HydrophobicContact CG-CG 4.18Å; Y255-F329 AromaticContact CZ-CD1 3.32Å; Y255-F329 AromaticContact CZ-CE1 3.45Å; Y255-F329 VanDerWaalsContact CZ-CE1 3.45Å; Y255-F329 WeakPolarHBondContact OH-CE1 3.38Å; F327-F329 HydrophobicContact CD1-CD2 4.37Å; F327-F329 AromaticContact CD1-CE2 3.54Å; F327-F329 HydrophobicContact CD1-CE2 3.54Å; F327-F329 HydrophobicContact CD1-CZ 4.43Å; F327-F329 AromaticContact CD2-CE2 3.81Å; F327-F329 HydrophobicContact CD2-CE2 3.81Å; F327-F329 HydrophobicContact CD2-CZ 4.14Å; F327-F329 HydrophobicContact CE1-CD2 4.46Å; F327-F329 AromaticContact CE1-CE2 3.44Å; F327-F329 HydrophobicContact CE1-CE2 3.44Å; F327-F329 VanDerWaalsContact CE1-CE2 3.44Å; F327-F329 AromaticContact CE1-CZ 3.99Å; F327-F329 HydrophobicContact CE1-CZ 3.99Å; F327-F329 AromaticContact CE2-CE2 3.7Å; F327-F329 HydrophobicContact CE2-CE2 3.7Å; F327-F329 AromaticContact CE2-CZ 3.66Å; F327-F329 HydrophobicContact CE2-CZ 3.66Å; F327-F329 AromaticContact CG-CE2 3.74Å; F327-F329 HydrophobicContact CG-CE2 3.74Å; F327-F329 AromaticContact CZ-CE2 3.51Å; F327-F329 HydrophobicContact CZ-CE2 3.51Å; F327-F329 AromaticContact CZ-CZ 3.57Å; F327-F329 HydrophobicContact CZ-CZ 3.57Å
330	S	94	Very high	91.7	Very high	29 Å²	29	32 Å²	32	20%	0.203	16%	0.159	C	C	.	.			trans	-81.2	140.8	173.8	-166	0	0	0	0	110.8	G141 K332	G141-S330 PolarHBondContact O-N 2.84Å; S330-K332 VanDerWaalsContact OG-CG 3.27Å; S330-K332 WeakPolarHBondContact OG-CG 3.28Å; S330-K332 PolarHBondContact OG-N 3.21Å
331	Y	95.5	Very high	92.2	Very high	27 Å²	27	39.6 Å²	39.6	11%	0.106	19%	0.193	C	C	.	.			trans	-101.5	17.9	172.2	66.8	-88.5	0	0	0	112.5	Y255 S257 D259 K333 A334 Q335 Y340	Y255-Y331 WeakPolarHBondContact O-CB 3.15Å; S257-Y331 WeakPolarHBondContact OG-CD1 3.34Å; D259-Y331 PolarHBondContact OD1-OH 3.32Å; Y331-K333 VanDerWaalsContact C-N 3.31Å; Y331-K333 PolarHBondContact O-N 2.83Å; Y331-A334 WeakPolarHBondContact O-CB 3.33Å; Y331-A334 PolarHBondContact O-N 3.09Å; Y331-A334 VanDerWaalsContact O-N 3.11Å; Y331-Q335 HydrophobicContact CD2-CG 3.79Å; Y331-Q335 HydrophobicContact CE2-CG 3.75Å; Y331-Q335 VanDerWaalsContact CE2-NE2 3.31Å; Y331-Q335 PolarHBondContact O-N 2.94Å; Y331-Y340 AromaticContact CD2-CD1 3.62Å; Y331-Y340 HydrophobicContact CD2-CD1 3.62Å; Y331-Y340 AromaticContact CD2-CE1 3.59Å; Y331-Y340 HydrophobicContact CD2-CE1 3.59Å; Y331-Y340 HydrophobicContact CE2-CD1 4.04Å; Y331-Y340 AromaticContact CE2-CE1 3.9Å; Y331-Y340 HydrophobicContact CE2-CE1 3.9Å; Y331-Y340 HydrophobicContact CG-CE1 4.28Å
332	K	96.2	Very high	92.8	Very high	148 Å²	148	39.6 Å²	39.6	64%	0.643	19%	0.193	S	C	*	.	H	α-helix	trans	-60.3	-35	-178.5	-81.1	176	-179.8	179.8	0	113.5	S330 A334 Q335 R336	S330-K332 VanDerWaalsContact OG-CG 3.27Å; S330-K332 WeakPolarHBondContact OG-CG 3.28Å; S330-K332 PolarHBondContact OG-N 3.21Å; K332-A334 VanDerWaalsContact C-N 3.34Å; K332-Q335 WeakPolarHBondContact O-CB 3.37Å; K332-Q335 PolarHBondContact O-N 3.5Å; K332-R336 PolarHBondContact O-N 3.17Å
333	K	96.4	Very high	93.4	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-41.7	175.1	-168.1	-168.9	173.9	-177.5	0	111.2	E143 F253 Y254 Y331 Q335 R336 D337	E143-K333 HydrophobicContact CB-CD 3.63Å; E143-K333 VanDerWaalsContact CD-CB 3.47Å; E143-K333 VanDerWaalsContact CD-CD 3.43Å; E143-K333 HydrophobicContact CG-CD 3.55Å; E143-K333 WeakPolarHBondContact OE2-CB 3.49Å; F253-K333 PolarHBondContact O-NZ 3Å; Y254-K333 HydrophobicContact CD1-CB 4.23Å; Y254-K333 HydrophobicContact CD1-CD 3.87Å; Y254-K333 HydrophobicContact CD1-CG 3.86Å; Y254-K333 HydrophobicContact CE1-CB 4.5Å; Y254-K333 HydrophobicContact CE1-CD 3.82Å; Y254-K333 HydrophobicContact CE1-CG 3.71Å; Y331-K333 VanDerWaalsContact C-N 3.31Å; Y331-K333 PolarHBondContact O-N 2.83Å; K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 3.33Å; K333-R336 PolarHBondContact O-N 3.28Å; K333-D337 PolarHBondContact O-N 3.37Å
334	A	97.4	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-39.1	174	0	0	0	0	0	111.7	Y254 I256 Y331 K332 R336 L338 A339 Y340	Y254-A334 HydrophobicContact CD1-CB 4.2Å; I256-A334 HydrophobicContact CD1-CB 3.87Å; Y331-A334 WeakPolarHBondContact O-CB 3.33Å; Y331-A334 PolarHBondContact O-N 3.09Å; Y331-A334 VanDerWaalsContact O-N 3.11Å; K332-A334 VanDerWaalsContact C-N 3.34Å; A334-R336 PolarHBondContact O-N 2.96Å; A334-L338 HydrophobicContact CB-CD1 4.35Å; A334-L338 WeakPolarHBondContact O-CA 3.38Å; A334-L338 VanDerWaalsContact O-CB 3.28Å; A334-L338 WeakPolarHBondContact O-CB 3.33Å; A334-L338 PolarHBondContact O-N 3.07Å; A334-A339 PolarHBondContact O-N 3.24Å; A334-Y340 HydrophobicContact CB-CD1 4.27Å; A334-Y340 HydrophobicContact CB-CG 4.33Å; A334-Y340 WeakPolarHBondContact O-CB 3.21Å; A334-Y340 PolarHBondContact O-N 2.86Å; A334-Y340 VanDerWaalsContact O-N 3.13Å
335	Q	96.8	Very high	94.8	Very high	83 Å²	83	45.8 Å²	45.8	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-58.4	-46.3	172.8	-77.4	174	-36.4	0	0	111.8	Y331 K332 K333 A339 Y340	Y331-Q335 HydrophobicContact CD2-CG 3.79Å; Y331-Q335 HydrophobicContact CE2-CG 3.75Å; Y331-Q335 VanDerWaalsContact CE2-NE2 3.31Å; Y331-Q335 PolarHBondContact O-N 2.94Å; K332-Q335 WeakPolarHBondContact O-CB 3.37Å; K332-Q335 PolarHBondContact O-N 3.5Å; K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 3.33Å; Q335-A339 VanDerWaalsContact O-CA 3.22Å; Q335-A339 WeakPolarHBondContact O-CA 3.47Å; Q335-A339 PolarHBondContact O-N 3.04Å; Q335-Y340 WeakPolarHBondContact CG-O 3.41Å
336	R	96.4	Very high	95.4	Very high	164 Å²	164	47.3 Å²	47.3	62%	0.619	23%	0.23	S	C	*	.	H	α-helix	trans	-69.1	-51.7	-177.7	-174.7	-175.3	66.6	-151.7	-3.8	112.4	K332 K333 A334	K332-R336 PolarHBondContact O-N 3.17Å; K333-R336 PolarHBondContact O-N 3.28Å; A334-R336 PolarHBondContact O-N 2.96Å
337	D	96.8	Very high	96	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.134	25%	0.247	C	C	.	.	H	α-helix	trans	-90.4	-36.5	-166.5	-57.7	-8.8	0	0	0	112	V249 Y254 K333	V249-D337 HydrophobicContact CG2-CB 4.29Å; Y254-D337 HydrophobicContact CE1-CB 3.7Å; Y254-D337 WeakPolarHBondContact CE1-OD2 3.34Å; Y254-D337 WeakPolarHBondContact OH-CB 3.17Å; Y254-D337 PolarHBondContact OH-OD2 2.95Å; K333-D337 PolarHBondContact O-N 3.37Å
338	L	97.1	Very high	96.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-98	-5.1	-178.5	-51.2	-178.2	0	0	0	113.1	L185 L235 A236 A239 V249 Y254 A334 Y340	L185-L338 HydrophobicContact CD2-CD1 4.21Å; L235-L338 HydrophobicContact CB-CB 4.46Å; A236-L338 HydrophobicContact CB-CD1 4.36Å; A239-L338 HydrophobicContact CB-CD2 4.06Å; V249-L338 HydrophobicContact CB-CD2 4.33Å; V249-L338 HydrophobicContact CG1-CD2 3.48Å; V249-L338 VanDerWaalsContact CG1-CD2 3.48Å; V249-L338 HydrophobicContact CG2-CD2 3.81Å; Y254-L338 HydrophobicContact CD1-CD1 4.41Å; Y254-L338 HydrophobicContact CD1-CG 4.48Å; Y254-L338 HydrophobicContact CD2-CD1 4.1Å; Y254-L338 HydrophobicContact CE1-CG 4.35Å; Y254-L338 HydrophobicContact CE2-CD1 4.44Å; Y254-L338 HydrophobicContact CE2-CD2 4.17Å; Y254-L338 HydrophobicContact CE2-CG 4.45Å; Y254-L338 HydrophobicContact CG-CD1 4.09Å; A334-L338 HydrophobicContact CB-CD1 4.35Å; A334-L338 WeakPolarHBondContact O-CA 3.38Å; A334-L338 VanDerWaalsContact O-CB 3.28Å; A334-L338 WeakPolarHBondContact O-CB 3.33Å; A334-L338 PolarHBondContact O-N 3.07Å; L338-Y340 PolarHBondContact O-N 2.74Å
339	A	96.7	Very high	96.8	Very high	59 Å²	59	55.3 Å²	55.3	49%	0.488	27%	0.266	S	S	.	.			trans	54.6	33.1	-165.2	0	0	0	0	0	112.4	A334 Q335 K341	A334-A339 PolarHBondContact O-N 3.24Å; Q335-A339 VanDerWaalsContact O-CA 3.22Å; Q335-A339 WeakPolarHBondContact O-CA 3.47Å; Q335-A339 PolarHBondContact O-N 3.04Å; A339-K341 PolarHBondContact O-N 2.91Å
340	Y	98.1	Very high	97.1	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.012	28%	0.275	C	S	.	.			trans	-67.5	120	-177.8	174	-98.7	0	0	0	111.6	A232 L235 I256 S257 Y331 A334 Q335 L338 P342	A232-Y340 HydrophobicContact CB-CD2 3.82Å; A232-Y340 HydrophobicContact CB-CE2 3.72Å; L235-Y340 HydrophobicContact CD1-CD2 4.05Å; I256-Y340 HydrophobicContact CG2-CE2 4.42Å; S257-Y340 VanDerWaalsContact O-CE1 3.26Å; S257-Y340 WeakPolarHBondContact O-CE1 3.21Å; S257-Y340 PolarHBondContact O-OH 3.47Å; Y331-Y340 AromaticContact CD2-CD1 3.62Å; Y331-Y340 HydrophobicContact CD2-CD1 3.62Å; Y331-Y340 AromaticContact CD2-CE1 3.59Å; Y331-Y340 HydrophobicContact CD2-CE1 3.59Å; Y331-Y340 HydrophobicContact CE2-CD1 4.04Å; Y331-Y340 AromaticContact CE2-CE1 3.9Å; Y331-Y340 HydrophobicContact CE2-CE1 3.9Å; Y331-Y340 HydrophobicContact CG-CE1 4.28Å; A334-Y340 HydrophobicContact CB-CD1 4.27Å; A334-Y340 HydrophobicContact CB-CG 4.33Å; A334-Y340 WeakPolarHBondContact O-CB 3.21Å; A334-Y340 PolarHBondContact O-N 2.86Å; A334-Y340 VanDerWaalsContact O-N 3.13Å; Q335-Y340 WeakPolarHBondContact CG-O 3.41Å; L338-Y340 PolarHBondContact O-N 2.74Å; Y340-P342 HydrophobicContact CE1-CG 4.32Å
341	K	97.3	Very high	97.3	Very high	162 Å²	162	61.6 Å²	61.6	70%	0.704	29%	0.291	S	S	*	.			trans	-126.8	133.2	165.4	-176.7	-179.9	177.7	-177.5	0	107.1	W231 A339 L343	W231-K341 VanDerWaalsContact CD1-O 3.27Å; W231-K341 PolarHBondContact NE1-O 3.4Å; A339-K341 PolarHBondContact O-N 2.91Å; K341-L343 PolarHBondContact O-N 3.13Å
342	P	97.3	Very high	97.4	Very high	20 Å²	20	63.8 Å²	63.8	13%	0.13	30%	0.301	C	S	.	.			trans	-48.8	128	174.3	-28.4	36.1	0	0	0	110.7	D258 Y340	D258-P342 HydrophobicContact CB-CB 3.98Å; D258-P342 HydrophobicContact CB-CG 3.71Å; Y340-P342 HydrophobicContact CE1-CG 4.32Å
343	L	97.8	Very high	97.5	Very high	74 Å²	74	56.7 Å²	56.7	39%	0.387	27%	0.271	S	S	.	.	S	Bend	trans	-75.8	-34	179.7	-179.4	60.9	0	0	0	111.1	L22 N228 W231 K341	L22-L343 HydrophobicContact CD2-CD2 4.26Å; N228-L343 PolarHBondContact OD1-N 3.37Å; W231-L343 HydrophobicContact CB-CB 4.08Å; W231-L343 HydrophobicContact CB-CD2 4.32Å; W231-L343 HydrophobicContact CD2-CB 4.32Å; W231-L343 HydrophobicContact CD2-CD2 4.17Å; W231-L343 HydrophobicContact CE3-CD2 4.27Å; W231-L343 HydrophobicContact CG-CB 3.78Å; W231-L343 HydrophobicContact CG-CD2 4.21Å; K341-L343 PolarHBondContact O-N 3.13Å
344	Y	98.1	Very high	97.5	Very high	53 Å²	53	56.7 Å²	56.7	21%	0.208	27%	0.272	C	S	.	.	S	Bend	trans	-112.6	132.4	177.2	-56.3	-79	0	0	0	109.4	Y225 N228 K352	Y225-Y344 AromaticContact CD1-CD2 3.68Å; Y225-Y344 HydrophobicContact CD1-CD2 3.68Å; Y225-Y344 AromaticContact CD1-CG 3.96Å; Y225-Y344 HydrophobicContact CD1-CG 3.96Å; Y225-Y344 HydrophobicContact CE1-CD1 4.42Å; Y225-Y344 AromaticContact CE1-CD2 3.48Å; Y225-Y344 HydrophobicContact CE1-CD2 3.48Å; Y225-Y344 VanDerWaalsContact CE1-CD2 3.48Å; Y225-Y344 HydrophobicContact CE1-CE2 4.02Å; Y225-Y344 AromaticContact CE1-CG 3.69Å; Y225-Y344 HydrophobicContact CE1-CG 3.69Å; N228-Y344 PolarHBondContact ND2-O 3.46Å; N228-Y344 PolarHBondContact OD1-N 2.92Å; Y344-K352 VanDerWaalsContact CE1-NZ 3.27Å
345	S	98.1	Very high	97.5	Very high	55 Å²	55	62.1 Å²	62.1	39%	0.385	30%	0.297	S	S	.	.			trans	-68.3	161.8	169.9	64.4	0	0	0	0	111.3	E347 E348 A349	S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.87Å; S345-E348 WeakPolarHBondContact CB-OE2 3.45Å; S345-E348 PolarHBondContact N-OE2 2.73Å; S345-E348 PolarHBondContact O-N 3Å; S345-E348 VanDerWaalsContact OG-CG 3.29Å; S345-E348 WeakPolarHBondContact OG-CG 3.35Å; S345-E348 PolarHBondContact OG-N 2.9Å; S345-E348 PolarHBondContact OG-OE2 3.12Å; S345-A349 WeakPolarHBondContact O-CB 3.28Å; S345-A349 PolarHBondContact O-N 2.98Å
346	W	96.9	Very high	97.6	Very high	37 Å²	37	60.3 Å²	60.3	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-54.4	-44.3	174	162.3	-116.2	0	0	0	112.1	Y191 T260 P261 L268 T271 L272 A349 K350	Y191-W346 HydrophobicContact CE1-CZ3 4.46Å; Y191-W346 HydrophobicContact CE2-CZ3 4.09Å; Y191-W346 AromaticContact CZ-CZ3 3.71Å; Y191-W346 VanDerWaalsContact OH-CZ3 3.27Å; Y191-W346 WeakPolarHBondContact OH-CZ3 3.47Å; T260-W346 HydrophobicContact CG2-CD2 4.41Å; T260-W346 HydrophobicContact CG2-CE3 3.55Å; T260-W346 HydrophobicContact CG2-CH2 4.34Å; T260-W346 HydrophobicContact CG2-CZ3 3.52Å; P261-W346 VanDerWaalsContact CD-CD2 3.46Å; P261-W346 HydrophobicContact CG-CD2 4.35Å; P261-W346 HydrophobicContact CG-CG 4.37Å; L268-W346 HydrophobicContact CD1-CH2 3.93Å; L268-W346 HydrophobicContact CD1-CZ3 4.12Å; T271-W346 HydrophobicContact CG2-CH2 4.41Å; T271-W346 HydrophobicContact CG2-CZ2 4.14Å; L272-W346 HydrophobicContact CD2-CH2 4.45Å; W346-A349 PolarHBondContact O-N 2.8Å; W346-K350 HydrophobicContact CD2-CB 4.31Å; W346-K350 HydrophobicContact CE3-CB 4.31Å; W346-K350 HydrophobicContact CH2-CB 4.04Å; W346-K350 HydrophobicContact CH2-CD 4.35Å; W346-K350 HydrophobicContact CH2-CG 4.16Å; W346-K350 HydrophobicContact CZ2-CB 4.03Å; W346-K350 HydrophobicContact CZ2-CD 3.68Å; W346-K350 HydrophobicContact CZ2-CG 4Å; W346-K350 HydrophobicContact CZ3-CB 4.18Å; W346-K350 WeakPolarHBondContact O-CB 3.34Å; W346-K350 PolarHBondContact O-N 2.89Å
347	E	97.9	Very high	97.6	Very high	113 Å²	113	52.5 Å²	52.5	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-67.1	-41.4	-177.6	-65.1	-55.7	145	0	0	112.3	S345 K350 Q351	S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.87Å; E347-K350 PolarHBondContact O-N 3.12Å; E347-K350 IonicContact OE2-NZ 3.2Å; E347-Q351 WeakPolarHBondContact O-CB 3.35Å; E347-Q351 PolarHBondContact O-N 3.28Å
348	E	97.9	Very high	97.6	Very high	89 Å²	89	51.6 Å²	51.6	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-44.9	174.6	-69.3	166.8	126.6	0	0	111.6	S345 Q351 K352	S345-E348 WeakPolarHBondContact CB-OE2 3.45Å; S345-E348 PolarHBondContact N-OE2 2.73Å; S345-E348 PolarHBondContact O-N 3Å; S345-E348 VanDerWaalsContact OG-CG 3.29Å; S345-E348 WeakPolarHBondContact OG-CG 3.35Å; S345-E348 PolarHBondContact OG-N 2.9Å; S345-E348 PolarHBondContact OG-OE2 3.12Å; E348-Q351 PolarHBondContact O-N 3.2Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 3.13Å; E348-K352 VanDerWaalsContact O-N 3.07Å
349	A	97.9	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-42.4	179	0	0	0	0	0	111.7	Y191 Y225 S345 W346 T353	Y191-A349 HydrophobicContact CE2-CB 4.38Å; Y191-A349 VanDerWaalsContact OH-CB 3.26Å; Y191-A349 WeakPolarHBondContact OH-CB 3.33Å; Y225-A349 HydrophobicContact CD1-CB 3.83Å; Y225-A349 HydrophobicContact CD2-CB 3.6Å; Y225-A349 HydrophobicContact CE1-CB 4.28Å; Y225-A349 HydrophobicContact CE2-CB 4.07Å; Y225-A349 HydrophobicContact CG-CB 3.46Å; Y225-A349 VanDerWaalsContact CG-CB 3.46Å; S345-A349 WeakPolarHBondContact O-CB 3.28Å; S345-A349 PolarHBondContact O-N 2.98Å; W346-A349 PolarHBondContact O-N 2.8Å; A349-T353 VanDerWaalsContact O-CB 3.3Å; A349-T353 WeakPolarHBondContact O-CB 3.41Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 VanDerWaalsContact O-N 3.08Å; A349-T353 PolarHBondContact O-OG1 2.87Å
350	K	97.6	Very high	97.4	Very high	45 Å²	45	51.1 Å²	51.1	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-50.6	175	177.7	-170	166.1	-160.8	0	110.6	L272 W346 E347 K352 T353 V354	L272-K350 HydrophobicContact CD2-CG 4.18Å; W346-K350 HydrophobicContact CD2-CB 4.31Å; W346-K350 HydrophobicContact CE3-CB 4.31Å; W346-K350 HydrophobicContact CH2-CB 4.04Å; W346-K350 HydrophobicContact CH2-CD 4.35Å; W346-K350 HydrophobicContact CH2-CG 4.16Å; W346-K350 HydrophobicContact CZ2-CB 4.03Å; W346-K350 HydrophobicContact CZ2-CD 3.68Å; W346-K350 HydrophobicContact CZ2-CG 4Å; W346-K350 HydrophobicContact CZ3-CB 4.18Å; W346-K350 WeakPolarHBondContact O-CB 3.34Å; W346-K350 PolarHBondContact O-N 2.89Å; E347-K350 PolarHBondContact O-N 3.12Å; E347-K350 IonicContact OE2-NZ 3.2Å; K350-K352 PolarHBondContact O-N 3.2Å; K350-T353 PolarHBondContact O-N 2.97Å; K350-V354 HydrophobicContact CG-CG2 4.28Å; K350-V354 WeakPolarHBondContact O-CB 3.29Å; K350-V354 VanDerWaalsContact O-CG2 3.27Å; K350-V354 WeakPolarHBondContact O-CG2 3.49Å; K350-V354 PolarHBondContact O-N 3.36Å
351	Q	98.1	Very high	97.2	Very high	118 Å²	118	51.2 Å²	51.2	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-55.9	-54.2	-179.7	179.7	-179.6	-3.3	0	0	111.3	E347 E348 T353 V354 E355	E347-Q351 WeakPolarHBondContact O-CB 3.35Å; E347-Q351 PolarHBondContact O-N 3.28Å; E348-Q351 PolarHBondContact O-N 3.2Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.41Å; Q351-V354 PolarHBondContact O-N 3.13Å; Q351-V354 VanDerWaalsContact O-N 3.17Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.49Å; Q351-E355 PolarHBondContact NE2-OE1 2.63Å; Q351-E355 WeakPolarHBondContact O-CG 3.31Å; Q351-E355 PolarHBondContact O-N 3.3Å
352	K	98.1	Very high	97	Very high	73 Å²	73	47.3 Å²	47.3	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-37.8	-179.5	-66.3	176.9	177.5	-177	0	112.6	E193 Y344 E348 K350 W356	E193-K352 HydrophobicContact CG-CB 4.42Å; E193-K352 WeakPolarHBondContact CG-O 3.45Å; E193-K352 WeakPolarHBondContact OE1-CB 3.32Å; Y344-K352 VanDerWaalsContact CE1-NZ 3.27Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 3.13Å; E348-K352 VanDerWaalsContact O-N 3.07Å; K350-K352 PolarHBondContact O-N 3.2Å; K352-W356 PolarHBondContact O-N 3.14Å; K352-W356 VanDerWaalsContact O-N 3.09Å
353	T	97.8	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-41.2	178.2	-53.9	0	0	0	0	111.7	Y191 L198 L272 A349 K350 Q351 W356 V357	Y191-T353 HydrophobicContact CD2-CG2 4.3Å; L198-T353 HydrophobicContact CD2-CG2 3.66Å; L272-T353 HydrophobicContact CD1-CG2 3.84Å; L272-T353 HydrophobicContact CD2-CG2 3.96Å; L272-T353 HydrophobicContact CG-CG2 4.36Å; A349-T353 VanDerWaalsContact O-CB 3.3Å; A349-T353 WeakPolarHBondContact O-CB 3.41Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 VanDerWaalsContact O-N 3.08Å; A349-T353 PolarHBondContact O-OG1 2.87Å; K350-T353 PolarHBondContact O-N 2.97Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.41Å; T353-W356 PolarHBondContact O-N 3.38Å; T353-V357 WeakPolarHBondContact O-CG2 3.42Å; T353-V357 PolarHBondContact O-N 3.26Å
354	V	97.8	Very high	96.4	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-45.7	176	168.8	0	0	0	0	110.7	L272 F276 K350 Q351 W356 V357 G358	L272-V354 HydrophobicContact CD2-CG2 4.29Å; F276-V354 HydrophobicContact CE2-CG1 3.91Å; F276-V354 WeakPolarHBondContact CE2-O 3.45Å; F276-V354 HydrophobicContact CZ-CG1 3.97Å; F276-V354 VanDerWaalsContact CZ-O 3.31Å; F276-V354 WeakPolarHBondContact CZ-O 3.5Å; K350-V354 HydrophobicContact CG-CG2 4.28Å; K350-V354 WeakPolarHBondContact O-CB 3.29Å; K350-V354 VanDerWaalsContact O-CG2 3.27Å; K350-V354 WeakPolarHBondContact O-CG2 3.49Å; K350-V354 PolarHBondContact O-N 3.36Å; Q351-V354 PolarHBondContact O-N 3.13Å; Q351-V354 VanDerWaalsContact O-N 3.17Å; V354-W356 VanDerWaalsContact C-N 3.3Å; V354-W356 PolarHBondContact O-N 2.95Å; V354-V357 PolarHBondContact O-N 3.07Å; V354-V357 VanDerWaalsContact O-N 3.13Å; V354-G358 PolarHBondContact O-N 3.07Å
355	E	97.7	Very high	96	Very high	115 Å²	115	53.2 Å²	53.2	54%	0.537	25%	0.252	S	S	.	.	H	α-helix	trans	-56.6	-44.9	175.3	-72.6	171.2	-171.1	0	0	111.3	Q351 G358 S359	Q351-E355 WeakPolarHBondContact CG-OE1 3.49Å; Q351-E355 PolarHBondContact NE2-OE1 2.63Å; Q351-E355 WeakPolarHBondContact O-CG 3.31Å; Q351-E355 PolarHBondContact O-N 3.3Å; E355-G358 PolarHBondContact O-N 3.39Å; E355-S359 PolarHBondContact O-N 3.02Å
356	W	97.3	Very high	95.6	Very high	45 Å²	45	56.6 Å²	56.6	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-40.5	175.1	173	74.5	0	0	0	113.2	E193 G194 S195 L198 K352 T353 V354 G358 S359 L360	E193-W356 HydrophobicContact CB-CB 3.64Å; E193-W356 HydrophobicContact CB-CD2 3.9Å; E193-W356 HydrophobicContact CB-CE3 4.43Å; E193-W356 HydrophobicContact CB-CG 3.51Å; E193-W356 HydrophobicContact CG-CB 3.66Å; E193-W356 HydrophobicContact CG-CG 4.12Å; G194-W356 VanDerWaalsContact CA-CZ2 3.43Å; S195-W356 WeakPolarHBondContact O-CH2 3.41Å; L198-W356 HydrophobicContact CB-CZ3 4.38Å; L198-W356 HydrophobicContact CD2-CE3 4.49Å; L198-W356 HydrophobicContact CD2-CZ3 3.86Å; L198-W356 HydrophobicContact CG-CZ3 4.06Å; K352-W356 PolarHBondContact O-N 3.14Å; K352-W356 VanDerWaalsContact O-N 3.09Å; T353-W356 PolarHBondContact O-N 3.38Å; V354-W356 VanDerWaalsContact C-N 3.3Å; V354-W356 PolarHBondContact O-N 2.95Å; W356-G358 VanDerWaalsContact C-N 3.26Å; W356-G358 PolarHBondContact O-N 3.46Å; W356-S359 WeakPolarHBondContact O-CB 3.35Å; W356-S359 PolarHBondContact O-N 3.43Å; W356-S359 VanDerWaalsContact O-N 3.13Å; W356-S359 PolarHBondContact O-OG 2.76Å; W356-L360 HydrophobicContact CD2-CD1 4.47Å; W356-L360 HydrophobicContact CE3-CD1 4.3Å; W356-L360 HydrophobicContact CH2-CD1 3.8Å; W356-L360 HydrophobicContact CZ2-CD1 3.93Å; W356-L360 HydrophobicContact CZ2-CD2 4.18Å; W356-L360 HydrophobicContact CZ2-CG 4.33Å; W356-L360 HydrophobicContact CZ3-CD1 3.97Å; W356-L360 PolarHBondContact O-N 3.46Å
357	V	96.8	Very high	95.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-39.3	173.7	169.6	0	0	0	0	110.5	L198 I202 F276 T353 V354 S359 L360 V361	L198-V357 HydrophobicContact CD2-CG2 4.13Å; L198-V357 HydrophobicContact CG-CG2 4.43Å; I202-V357 HydrophobicContact CD1-CG1 4.14Å; I202-V357 HydrophobicContact CG1-CG1 4.25Å; I202-V357 HydrophobicContact CG2-CG1 4.37Å; F276-V357 HydrophobicContact CD2-CG1 3.75Å; F276-V357 HydrophobicContact CE2-CB 4.04Å; F276-V357 HydrophobicContact CE2-CG1 3.77Å; T353-V357 WeakPolarHBondContact O-CG2 3.42Å; T353-V357 PolarHBondContact O-N 3.26Å; V354-V357 PolarHBondContact O-N 3.07Å; V354-V357 VanDerWaalsContact O-N 3.13Å; V357-S359 VanDerWaalsContact C-N 3.3Å; V357-S359 PolarHBondContact O-N 3.28Å; V357-L360 WeakPolarHBondContact O-CA 3.2Å; V357-L360 VanDerWaalsContact O-CB 3.29Å; V357-L360 WeakPolarHBondContact O-CB 3.48Å; V357-L360 PolarHBondContact O-N 2.96Å; V357-V361 WeakPolarHBondContact O-CG2 3.31Å; V357-V361 PolarHBondContact O-N 3.32Å; V357-V361 VanDerWaalsContact O-N 3.12Å
358	G	96.6	Very high	94.4	Very high	5 Å²	5	57.1 Å²	57.1	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-54.9	-45.2	172.9	0	0	0	0	0	112.4	F276 V354 E355 W356 L360 V361 D362	F276-G358 VanDerWaalsContact CZ-N 3.34Å; V354-G358 PolarHBondContact O-N 3.07Å; E355-G358 PolarHBondContact O-N 3.39Å; W356-G358 VanDerWaalsContact C-N 3.26Å; W356-G358 PolarHBondContact O-N 3.46Å; G358-L360 PolarHBondContact O-N 3.02Å; G358-V361 WeakPolarHBondContact O-CB 3.5Å; G358-V361 PolarHBondContact O-N 3.3Å; G358-D362 PolarHBondContact O-N 3.46Å
359	S	96	Very high	93.5	Very high	47 Å²	47	60 Å²	60	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-24.9	175.4	84.4	0	0	0	0	114.2	E355 W356 V357 R363	E355-S359 PolarHBondContact O-N 3.02Å; W356-S359 WeakPolarHBondContact O-CB 3.35Å; W356-S359 PolarHBondContact O-N 3.43Å; W356-S359 VanDerWaalsContact O-N 3.13Å; W356-S359 PolarHBondContact O-OG 2.76Å; V357-S359 VanDerWaalsContact C-N 3.3Å; V357-S359 PolarHBondContact O-N 3.28Å; S359-R363 WeakPolarHBondContact O-CB 3.47Å; S359-R363 VanDerWaalsContact O-CG 3.29Å; S359-R363 WeakPolarHBondContact O-CG 3.43Å; S359-R363 PolarHBondContact O-N 3.36Å; S359-R363 PolarHBondContact O-NE 3.17Å; S359-R363 VanDerWaalsContact O-NE 3.14Å
360	L	94.6	Very high	92.5	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-73.6	-44.6	172.5	-62.7	171.6	0	0	0	110.7	I202 W356 V357 G358 D362 R363 H364	I202-L360 HydrophobicContact CB-CD1 4.42Å; I202-L360 HydrophobicContact CG2-CB 4.44Å; I202-L360 HydrophobicContact CG2-CD1 4.36Å; W356-L360 HydrophobicContact CD2-CD1 4.47Å; W356-L360 HydrophobicContact CE3-CD1 4.3Å; W356-L360 HydrophobicContact CH2-CD1 3.8Å; W356-L360 HydrophobicContact CZ2-CD1 3.93Å; W356-L360 HydrophobicContact CZ2-CD2 4.18Å; W356-L360 HydrophobicContact CZ2-CG 4.33Å; W356-L360 HydrophobicContact CZ3-CD1 3.97Å; W356-L360 PolarHBondContact O-N 3.46Å; V357-L360 WeakPolarHBondContact O-CA 3.2Å; V357-L360 VanDerWaalsContact O-CB 3.29Å; V357-L360 WeakPolarHBondContact O-CB 3.48Å; V357-L360 PolarHBondContact O-N 2.96Å; G358-L360 PolarHBondContact O-N 3.02Å; L360-D362 VanDerWaalsContact C-N 3.33Å; L360-D362 PolarHBondContact O-N 3.3Å; L360-R363 PolarHBondContact O-N 3.5Å; L360-H364 PolarHBondContact O-N 3.14Å
361	V	93.4	Very high	91.3	Very high	4 Å²	4	69 Å²	69	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-43.1	179.7	176.6	0	0	0	0	110.6	L206 F276 L278 V357 G358 H364 K365	L206-V361 HydrophobicContact CD1-CG2 4.22Å; L206-V361 HydrophobicContact CD2-CG1 4.4Å; L206-V361 HydrophobicContact CD2-CG2 4.29Å; F276-V361 HydrophobicContact CB-CG1 4.38Å; F276-V361 HydrophobicContact CB-CG2 3.88Å; F276-V361 HydrophobicContact CD2-CG2 4.33Å; F276-V361 HydrophobicContact CG-CG2 4Å; L278-V361 HydrophobicContact CD1-CG2 4.45Å; V357-V361 WeakPolarHBondContact O-CG2 3.31Å; V357-V361 PolarHBondContact O-N 3.32Å; V357-V361 VanDerWaalsContact O-N 3.12Å; G358-V361 WeakPolarHBondContact O-CB 3.5Å; G358-V361 PolarHBondContact O-N 3.3Å; V361-H364 WeakPolarHBondContact O-CB 3.45Å; V361-H364 PolarHBondContact O-N 3.05Å; V361-K365 HydrophobicContact CG1-CD 4.45Å; V361-K365 WeakPolarHBondContact O-CG 3.29Å; V361-K365 PolarHBondContact O-N 3.11Å
362	D	93.6	Very high	89.7	Confident	81 Å²	81	69.5 Å²	69.5	43%	0.433	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-44.5	-179.9	-68	-25.4	0	0	0	112	G358 L360 H364 K365 E366	G358-D362 PolarHBondContact O-N 3.46Å; L360-D362 VanDerWaalsContact C-N 3.33Å; L360-D362 PolarHBondContact O-N 3.3Å; D362-H364 VanDerWaalsContact C-N 3.26Å; D362-H364 PolarHBondContact O-N 2.93Å; D362-K365 WeakPolarHBondContact O-CB 3.43Å; D362-K365 PolarHBondContact O-N 3.25Å; D362-K365 VanDerWaalsContact O-N 3.11Å; D362-K365 IonicContact OD1-NZ 3.63Å; D362-E366 WeakPolarHBondContact O-CG 3.39Å; D362-E366 PolarHBondContact O-N 3.46Å
363	R	91.6	Very high	87.5	Confident	132 Å²	132	76.7 Å²	76.7	50%	0.498	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-37.7	173	-77.1	-172.7	-70.4	161.2	-15	113	S359 L360 E366 T367	S359-R363 WeakPolarHBondContact O-CB 3.47Å; S359-R363 VanDerWaalsContact O-CG 3.29Å; S359-R363 WeakPolarHBondContact O-CG 3.43Å; S359-R363 PolarHBondContact O-N 3.36Å; S359-R363 PolarHBondContact O-NE 3.17Å; S359-R363 VanDerWaalsContact O-NE 3.14Å; L360-R363 PolarHBondContact O-N 3.5Å; R363-E366 PolarHBondContact O-N 3.05Å; R363-T367 PolarHBondContact O-N 3.48Å; R363-T367 PolarHBondContact O-OG1 2.95Å
364	H	90.6	Very high	86.9	Confident	32 Å²	32	80.5 Å²	80.5	15%	0.148	40%	0.398	C	S	.	.	H	α-helix	trans	-64.8	-44.4	175.6	-175.2	80.1	0	0	0	111.6	L206 N207 L360 V361 D362 E366 T367 L368	L206-H364 HydrophobicContact CD1-CB 3.79Å; N207-H364 PolarHBondContact OD1-CE1 2.93Å; N207-H364 VanDerWaalsContact OD1-CE1 3.28Å; L360-H364 PolarHBondContact O-N 3.14Å; V361-H364 WeakPolarHBondContact O-CB 3.45Å; V361-H364 PolarHBondContact O-N 3.05Å; D362-H364 VanDerWaalsContact C-N 3.26Å; D362-H364 PolarHBondContact O-N 2.93Å; H364-E366 VanDerWaalsContact C-N 3.35Å; H364-E366 PolarHBondContact O-N 2.8Å; H364-T367 PolarHBondContact O-N 3.04Å; H364-L368 PolarHBondContact O-N 2.91Å
365	K	89.1	Confident	86.4	Confident	106 Å²	106	84 Å²	84	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.7	-70.1	169.9	-176.2	163.1	0	112.2	V361 D362 T367 L368 K369	V361-K365 HydrophobicContact CG1-CD 4.45Å; V361-K365 WeakPolarHBondContact O-CG 3.29Å; V361-K365 PolarHBondContact O-N 3.11Å; D362-K365 WeakPolarHBondContact O-CB 3.43Å; D362-K365 PolarHBondContact O-N 3.25Å; D362-K365 VanDerWaalsContact O-N 3.11Å; D362-K365 IonicContact OD1-NZ 3.63Å; K365-T367 VanDerWaalsContact C-N 3.34Å; K365-L368 PolarHBondContact O-N 3.41Å; K365-K369 WeakPolarHBondContact O-CG 3.46Å; K365-K369 PolarHBondContact O-N 3.44Å
366	E	89.6	Confident	85.7	Confident	127 Å²	127	82.3 Å²	82.3	59%	0.593	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-44.1	175.5	-71.8	173.5	171.5	0	0	111.6	D362 R363 H364 L368 K369 S370	D362-E366 WeakPolarHBondContact O-CG 3.39Å; D362-E366 PolarHBondContact O-N 3.46Å; R363-E366 PolarHBondContact O-N 3.05Å; H364-E366 VanDerWaalsContact C-N 3.35Å; H364-E366 PolarHBondContact O-N 2.8Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 3.27Å; E366-K369 PolarHBondContact O-N 3.3Å; E366-S370 PolarHBondContact O-N 3.02Å
367	T	87.5	Confident	85.1	Confident	70 Å²	70	84.5 Å²	84.5	43%	0.429	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-34.1	177.7	-54	0	0	0	0	112.6	R363 H364 K365 S370 K371	R363-T367 PolarHBondContact O-N 3.48Å; R363-T367 PolarHBondContact O-OG1 2.95Å; H364-T367 PolarHBondContact O-N 3.04Å; K365-T367 VanDerWaalsContact C-N 3.34Å; T367-S370 PolarHBondContact O-OG 3Å; T367-K371 WeakPolarHBondContact O-CG 3.43Å; T367-K371 PolarHBondContact O-N 3.07Å
368	L	83.3	Confident	84.3	Confident	91 Å²	91	89.8 Å²	89.8	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-70.3	-41.8	174.6	-71.6	174.2	0	0	0	111.8	H364 K365 E366 S370 K371 T372	H364-L368 PolarHBondContact O-N 2.91Å; K365-L368 PolarHBondContact O-N 3.41Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 3.27Å; L368-S370 PolarHBondContact O-N 3.5Å; L368-K371 PolarHBondContact O-N 3.32Å; L368-T372 PolarHBondContact O-N 3.05Å; L368-T372 PolarHBondContact O-OG1 3.38Å
369	K	79.2	Confident	83.5	Confident	150 Å²	150	95.4 Å²	95.4	65%	0.652	47%	0.474	S	S	*	.	H	α-helix	trans	-61.4	-43.4	176.5	-72.7	177.4	-179	-180	0	111.7	K365 E366 K371 T372 Q373	K365-K369 WeakPolarHBondContact O-CG 3.46Å; K365-K369 PolarHBondContact O-N 3.44Å; E366-K369 PolarHBondContact O-N 3.3Å; K369-K371 PolarHBondContact O-N 3.22Å; K369-T372 PolarHBondContact O-N 3.2Å; K369-Q373 PolarHBondContact O-N 3.35Å
370	S	76.9	Confident	82.6	Confident	73 Å²	73	98.9 Å²	98.9	51%	0.51	49%	0.485	S	S	.	.	H	α-helix	trans	-69.2	-17.1	179.5	69.7	0	0	0	0	114.4	E366 T367 L368	E366-S370 PolarHBondContact O-N 3.02Å; T367-S370 PolarHBondContact O-OG 3Å; L368-S370 PolarHBondContact O-N 3.5Å
371	K	72.5	Confident	81.7	Confident	161 Å²	161	106 Å²	106	70%	0.7	52%	0.519	S	S	*	.	H	α-helix	trans	-89.1	-13.7	175	-75.5	179.6	178.8	-177.1	0	113.5	T367 L368 K369	T367-K371 WeakPolarHBondContact O-CG 3.43Å; T367-K371 PolarHBondContact O-N 3.07Å; L368-K371 PolarHBondContact O-N 3.32Å; K369-K371 PolarHBondContact O-N 3.22Å
372	T	64.3	Low	80.7	Confident	127 Å²	127	114.5 Å²	114.5	78%	0.779	56%	0.561	S	S	*	*	H	α-helix	trans	-101.5	-12.4	-177.3	-45.5	0	0	0	0	111.6	L368 K369	L368-T372 PolarHBondContact O-N 3.05Å; L368-T372 PolarHBondContact O-OG1 3.38Å; K369-T372 PolarHBondContact O-N 3.2Å
373	Q	50.6	Low	79.6	Confident	224 Å²	224	117.5 Å²	117.5	100%	1.047	57%	0.572	S	S	*	*			trans	-88.3	0	161.8	-69.4	-179	-6.8	0	0	109	K369	K369-Q373 PolarHBondContact O-N 3.35Å

Retrieved 373 of 373 residues in 158.6 ms (Link to these results)

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