A0A5K4E9G8_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4E9G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 aa.

						>A0A5K4E9G8_SCHMA|A0A5K4E9G8
MLNRFIVILVFVFVGIVTFDNVQGQRDPPRTNNTITHTTNHYVGKLSHHNTVPAKTTRKSQHTTATASHTDKTVQKKCLNKMTPQDLISLLFSLIPQIKTIEFSQNENLLKLATILEKIFEQQSRVEHSSPTKTPANKIFH
					

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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	51.4	Low	57.5	Low	210 Å²	210	105 Å²	105	100%	1.034	52%	0.515	S	S	*	.				0	-41.5	0	-68.3	-60.9	-175.6	0	0	112.9	N3 R4	M1-N3 PolarHBondContact O-N 2.98Å; M1-R4 PolarHBondContact O-N 3.43Å
2	L	45.7	Very low	58.3	Low	73 Å²	73	102.4 Å²	102.4	38%	0.382	51%	0.509	S	S	.	.	H	α-helix	trans	-55	-40.7	-176.8	-169.5	65.6	0	0	0	115.5	R4 F5 I6	L2-R4 VanDerWaalsContact C-N 3.26Å; L2-R4 PolarHBondContact O-N 3.47Å; L2-F5 WeakPolarHBondContact O-CB 3.48Å; L2-F5 PolarHBondContact O-N 2.97Å; L2-F5 VanDerWaalsContact O-N 3.1Å; L2-I6 HydrophobicContact CG-CD1 4.21Å; L2-I6 PolarHBondContact O-N 2.86Å
3	N	51.1	Low	58.9	Low	131 Å²	131	100 Å²	100	70%	0.701	49%	0.494	S	S	*	.	H	α-helix	trans	-60.6	-34	-178.4	-71.3	7.3	0	0	0	113.2	M1 F5 V7	M1-N3 PolarHBondContact O-N 2.98Å; N3-F5 VanDerWaalsContact C-N 3.31Å; N3-F5 PolarHBondContact O-N 2.92Å; N3-V7 VanDerWaalsContact O-CG2 3.27Å; N3-V7 WeakPolarHBondContact O-CG2 3.44Å; N3-V7 PolarHBondContact O-N 2.67Å
4	R	53	Low	59.4	Low	195 Å²	195	98.2 Å²	98.2	74%	0.736	49%	0.491	S	S	*	.	H	α-helix	trans	-68.5	-34.2	178.9	-71.6	-173.6	174.2	-168.7	-1.9	111.9	M1 L2 V7 I8	M1-R4 PolarHBondContact O-N 3.43Å; L2-R4 VanDerWaalsContact C-N 3.26Å; L2-R4 PolarHBondContact O-N 3.47Å; R4-V7 PolarHBondContact O-N 3.25Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3.45Å; R4-I8 VanDerWaalsContact O-N 3.11Å
5	F	55.3	Low	59.4	Low	41 Å²	41	93.6 Å²	93.6	18%	0.18	48%	0.478	C	S	.	.	H	α-helix	trans	-70.9	-42.1	-179.1	-173	-97.6	0	0	0	112.1	L2 N3 V7 I8 L9 I95 I98	L2-F5 WeakPolarHBondContact O-CB 3.48Å; L2-F5 PolarHBondContact O-N 2.97Å; L2-F5 VanDerWaalsContact O-N 3.1Å; N3-F5 VanDerWaalsContact C-N 3.31Å; N3-F5 PolarHBondContact O-N 2.92Å; F5-V7 VanDerWaalsContact C-N 3.3Å; F5-V7 PolarHBondContact O-N 3.3Å; F5-I8 PolarHBondContact O-N 3.02Å; F5-L9 HydrophobicContact CD1-CD1 3.92Å; F5-L9 HydrophobicContact CD1-CG 4.29Å; F5-L9 HydrophobicContact CE1-CD1 3.4Å; F5-L9 VanDerWaalsContact CE1-CD1 3.4Å; F5-L9 HydrophobicContact CE1-CG 3.92Å; F5-L9 HydrophobicContact CZ-CD1 4.09Å; F5-L9 HydrophobicContact CZ-CD2 4.44Å; F5-L9 HydrophobicContact CZ-CG 4.27Å; F5-L9 PolarHBondContact O-N 2.9Å; F5-I95 HydrophobicContact CD2-CD1 4.43Å; F5-I95 HydrophobicContact CE2-CD1 3.46Å; F5-I95 VanDerWaalsContact CE2-CD1 3.46Å; F5-I95 HydrophobicContact CE2-CG2 4.11Å; F5-I95 HydrophobicContact CZ-CD1 3.95Å; F5-I98 HydrophobicContact CE2-CD1 4.01Å; F5-I98 HydrophobicContact CE2-CG1 3.83Å; F5-I98 HydrophobicContact CZ-CD1 3.46Å; F5-I98 VanDerWaalsContact CZ-CD1 3.46Å; F5-I98 HydrophobicContact CZ-CG1 3.58Å
6	I	59.8	Low	59.5	Low	77 Å²	77	92.9 Å²	92.9	40%	0.395	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-42.6	174.9	-64.2	167.8	0	0	0	110.3	L2 I8 L9 V10	L2-I6 HydrophobicContact CG-CD1 4.21Å; L2-I6 PolarHBondContact O-N 2.86Å; I6-I8 PolarHBondContact O-N 3.02Å; I6-L9 PolarHBondContact O-N 3.29Å; I6-V10 HydrophobicContact CG2-CG2 4.39Å; I6-V10 VanDerWaalsContact O-CG2 3.31Å; I6-V10 WeakPolarHBondContact O-CG2 3.27Å; I6-V10 PolarHBondContact O-N 3.38Å
7	V	57.4	Low	59.4	Low	78 Å²	78	90.4 Å²	90.4	47%	0.473	47%	0.465	S	S	.	.	H	α-helix	trans	-59.6	-47	176.2	172.5	0	0	0	0	110.7	N3 R4 F5 L9 V10 F11	N3-V7 VanDerWaalsContact O-CG2 3.27Å; N3-V7 WeakPolarHBondContact O-CG2 3.44Å; N3-V7 PolarHBondContact O-N 2.67Å; R4-V7 PolarHBondContact O-N 3.25Å; F5-V7 VanDerWaalsContact C-N 3.3Å; F5-V7 PolarHBondContact O-N 3.3Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.92Å; V7-V10 PolarHBondContact O-N 3.35Å; V7-F11 HydrophobicContact CG1-CD2 3.69Å; V7-F11 HydrophobicContact CG1-CE2 3.77Å; V7-F11 VanDerWaalsContact O-CD2 3.31Å; V7-F11 WeakPolarHBondContact O-CD2 3.27Å; V7-F11 PolarHBondContact O-N 2.9Å
8	I	63.3	Low	59.1	Low	92 Å²	92	89.4 Å²	89.4	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-60.1	-43.9	177.8	-66.6	162.6	0	0	0	111.1	R4 F5 I6 V10 F11 V12	R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3.45Å; R4-I8 VanDerWaalsContact O-N 3.11Å; F5-I8 PolarHBondContact O-N 3.02Å; I6-I8 PolarHBondContact O-N 3.02Å; I8-V10 PolarHBondContact O-N 3.44Å; I8-F11 WeakPolarHBondContact O-CB 3.33Å; I8-F11 PolarHBondContact O-N 2.86Å; I8-V12 HydrophobicContact CG2-CG2 4.46Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.12Å
9	L	65.8	Low	58.6	Low	26 Å²	26	92.4 Å²	92.4	14%	0.136	47%	0.473	C	S	.	.	H	α-helix	trans	-63.3	-41.2	177.4	-73	-175.4	0	0	0	113	F5 I6 V7 F11 V12 F13 L91 L112	F5-L9 HydrophobicContact CD1-CD1 3.92Å; F5-L9 HydrophobicContact CD1-CG 4.29Å; F5-L9 HydrophobicContact CE1-CD1 3.4Å; F5-L9 VanDerWaalsContact CE1-CD1 3.4Å; F5-L9 HydrophobicContact CE1-CG 3.92Å; F5-L9 HydrophobicContact CZ-CD1 4.09Å; F5-L9 HydrophobicContact CZ-CD2 4.44Å; F5-L9 HydrophobicContact CZ-CG 4.27Å; F5-L9 PolarHBondContact O-N 2.9Å; I6-L9 PolarHBondContact O-N 3.29Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.92Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-V12 PolarHBondContact O-N 3.39Å; L9-F13 WeakPolarHBondContact O-CB 3.13Å; L9-F13 PolarHBondContact O-N 3.27Å; L9-L91 HydrophobicContact CD1-CD2 4.35Å; L9-L91 HydrophobicContact CD2-CD2 3.45Å; L9-L91 VanDerWaalsContact CD2-CD2 3.45Å; L9-L91 HydrophobicContact CD2-CG 4.28Å; L9-L112 HydrophobicContact CD1-CD2 3.74Å
10	V	65.6	Low	58	Low	82 Å²	82	93 Å²	93	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-62.8	-41.3	173.7	172.9	0	0	0	0	110.4	I6 V7 I8 F13 V14	I6-V10 HydrophobicContact CG2-CG2 4.39Å; I6-V10 VanDerWaalsContact O-CG2 3.31Å; I6-V10 WeakPolarHBondContact O-CG2 3.27Å; I6-V10 PolarHBondContact O-N 3.38Å; V7-V10 PolarHBondContact O-N 3.35Å; I8-V10 PolarHBondContact O-N 3.44Å; V10-F13 PolarHBondContact O-N 3.11Å; V10-V14 HydrophobicContact CG1-CG2 4.18Å; V10-V14 WeakPolarHBondContact O-CB 3.19Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 3.47Å
11	F	64	Low	57.2	Low	150 Å²	150	93.5 Å²	93.5	66%	0.658	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-41	175.9	-94.5	-83.1	0	0	0	112.8	V7 I8 L9 G15	V7-F11 HydrophobicContact CG1-CD2 3.69Å; V7-F11 HydrophobicContact CG1-CE2 3.77Å; V7-F11 VanDerWaalsContact O-CD2 3.31Å; V7-F11 WeakPolarHBondContact O-CD2 3.27Å; V7-F11 PolarHBondContact O-N 2.9Å; I8-F11 WeakPolarHBondContact O-CB 3.33Å; I8-F11 PolarHBondContact O-N 2.86Å; L9-F11 VanDerWaalsContact C-N 3.32Å; F11-G15 PolarHBondContact O-N 2.96Å
12	V	67.5	Low	56.8	Low	74 Å²	74	86.8 Å²	86.8	45%	0.448	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.6	175.6	0	0	0	0	110.2	I8 L9 G15 I16	I8-V12 HydrophobicContact CG2-CG2 4.46Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.39Å; V12-G15 PolarHBondContact O-N 2.91Å; V12-I16 HydrophobicContact CG1-CD1 3.79Å; V12-I16 HydrophobicContact CG1-CG1 4.44Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.39Å; V12-I16 PolarHBondContact O-N 2.9Å
13	F	65.9	Low	56.5	Low	71 Å²	71	88.5 Å²	88.5	31%	0.311	46%	0.458	S	S	.	.	H	α-helix	trans	-63.9	-48.1	179	-167.5	-94	0	0	0	112.3	L9 V10 G15 I16 V17 L116 I119	L9-F13 WeakPolarHBondContact O-CB 3.13Å; L9-F13 PolarHBondContact O-N 3.27Å; V10-F13 PolarHBondContact O-N 3.11Å; F13-G15 VanDerWaalsContact C-N 3.27Å; F13-G15 PolarHBondContact O-N 3.47Å; F13-I16 PolarHBondContact O-N 3.43Å; F13-V17 HydrophobicContact CD1-CG2 3.96Å; F13-V17 HydrophobicContact CE1-CG2 3.57Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CG2 3.31Å; F13-V17 PolarHBondContact O-N 3.47Å; F13-L116 HydrophobicContact CD2-CD2 4.06Å; F13-L116 HydrophobicContact CE2-CD2 3.8Å; F13-I119 HydrophobicContact CE1-CD1 4.24Å; F13-I119 HydrophobicContact CZ-CD1 3.81Å; F13-I119 HydrophobicContact CZ-CG2 4Å
14	V	65.1	Low	56.1	Low	75 Å²	75	85.4 Å²	85.4	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-59.9	-41	174.2	172.1	0	0	0	0	110.3	V10 T18	V10-V14 HydrophobicContact CG1-CG2 4.18Å; V10-V14 WeakPolarHBondContact O-CB 3.19Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 3.47Å; V14-T18 WeakPolarHBondContact O-CB 3.34Å; V14-T18 PolarHBondContact O-N 3.22Å; V14-T18 PolarHBondContact O-OG1 3.23Å
15	G	60.4	Low	55.6	Low	29 Å²	29	84.5 Å²	84.5	30%	0.299	46%	0.461	S	S	.	.	H	α-helix	trans	-57.9	-49	175.3	0	0	0	0	0	112.2	F11 V12 F13 F19	F11-G15 PolarHBondContact O-N 2.96Å; V12-G15 PolarHBondContact O-N 2.91Å; F13-G15 VanDerWaalsContact C-N 3.27Å; F13-G15 PolarHBondContact O-N 3.47Å; G15-F19 VanDerWaalsContact O-CB 3.31Å; G15-F19 WeakPolarHBondContact O-CB 3.49Å; G15-F19 WeakPolarHBondContact O-CD2 3.33Å; G15-F19 PolarHBondContact O-N 3.2Å
16	I	60.5	Low	55	Low	82 Å²	82	91.8 Å²	91.8	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-49.6	179.5	-65.1	165.1	0	0	0	111	V12 F13 T18 F19 D20	V12-I16 HydrophobicContact CG1-CD1 3.79Å; V12-I16 HydrophobicContact CG1-CG1 4.44Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.39Å; V12-I16 PolarHBondContact O-N 2.9Å; F13-I16 PolarHBondContact O-N 3.43Å; I16-T18 VanDerWaalsContact C-N 3.33Å; I16-T18 PolarHBondContact O-N 3.23Å; I16-F19 PolarHBondContact O-N 2.99Å; I16-D20 PolarHBondContact O-N 3.1Å
17	V	57.4	Low	54	Low	51 Å²	51	93.9 Å²	93.9	31%	0.309	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-38.3	-179.3	174.2	0	0	0	0	111.7	F13 D20 N21	F13-V17 HydrophobicContact CD1-CG2 3.96Å; F13-V17 HydrophobicContact CE1-CG2 3.57Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CG2 3.31Å; F13-V17 PolarHBondContact O-N 3.47Å; V17-D20 PolarHBondContact O-N 2.98Å; V17-N21 WeakPolarHBondContact CG1-ND2 3.46Å; V17-N21 WeakPolarHBondContact O-CB 3.3Å; V17-N21 PolarHBondContact O-N 2.9Å; V17-N21 PolarHBondContact O-ND2 2.84Å
18	T	54.8	Low	53.6	Low	72 Å²	72	95 Å²	95	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-71.1	-39.7	177.1	-49.7	0	0	0	0	110.7	V14 I16 D20 N21 V22	V14-T18 WeakPolarHBondContact O-CB 3.34Å; V14-T18 PolarHBondContact O-N 3.22Å; V14-T18 PolarHBondContact O-OG1 3.23Å; I16-T18 VanDerWaalsContact C-N 3.33Å; I16-T18 PolarHBondContact O-N 3.23Å; T18-D20 VanDerWaalsContact C-N 3.29Å; T18-D20 PolarHBondContact O-N 3.27Å; T18-N21 PolarHBondContact O-N 3.09Å; T18-V22 HydrophobicContact CG2-CG2 4.02Å; T18-V22 WeakPolarHBondContact O-CB 3.49Å; T18-V22 WeakPolarHBondContact O-CG2 3.3Å; T18-V22 PolarHBondContact O-N 3.44Å
19	F	50.3	Low	52.8	Low	146 Å²	146	96.4 Å²	96.4	64%	0.64	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-39.4	174.6	-104.3	-90.6	0	0	0	112.2	G15 I16 Q23	G15-F19 VanDerWaalsContact O-CB 3.31Å; G15-F19 WeakPolarHBondContact O-CB 3.49Å; G15-F19 WeakPolarHBondContact O-CD2 3.33Å; G15-F19 PolarHBondContact O-N 3.2Å; I16-F19 PolarHBondContact O-N 2.99Å; F19-Q23 WeakPolarHBondContact O-CG 3.31Å; F19-Q23 PolarHBondContact O-N 3.38Å
20	D	46.5	Very low	51.9	Low	104 Å²	104	106 Å²	106	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-69.5	-46.1	178.9	-160.9	53.1	0	0	0	111.8	I16 V17 T18 V22 Q23 G24	I16-D20 PolarHBondContact O-N 3.1Å; V17-D20 PolarHBondContact O-N 2.98Å; T18-D20 VanDerWaalsContact C-N 3.29Å; T18-D20 PolarHBondContact O-N 3.27Å; D20-V22 PolarHBondContact O-N 3.27Å; D20-Q23 PolarHBondContact O-N 3.16Å; D20-G24 PolarHBondContact O-N 3.26Å; D20-G24 VanDerWaalsContact O-N 3.1Å
21	N	39.8	Very low	50.8	Low	105 Å²	105	106.9 Å²	106.9	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-34.1	178.9	-80.2	-72.1	0	0	0	113.7	V17 T18 Q23	V17-N21 WeakPolarHBondContact CG1-ND2 3.46Å; V17-N21 WeakPolarHBondContact O-CB 3.3Å; V17-N21 PolarHBondContact O-N 2.9Å; V17-N21 PolarHBondContact O-ND2 2.84Å; T18-N21 PolarHBondContact O-N 3.09Å; N21-Q23 VanDerWaalsContact C-N 3.33Å
22	V	44.2	Very low	49.9	Very low	68 Å²	68	106.3 Å²	106.3	41%	0.412	57%	0.567	S	S	.	*	H	α-helix	trans	-76.3	-22.9	179.5	178.7	0	0	0	0	111.8	T18 D20	T18-V22 HydrophobicContact CG2-CG2 4.02Å; T18-V22 WeakPolarHBondContact O-CB 3.49Å; T18-V22 WeakPolarHBondContact O-CG2 3.3Å; T18-V22 PolarHBondContact O-N 3.44Å; D20-V22 PolarHBondContact O-N 3.27Å
23	Q	39.4	Very low	48.6	Very low	110 Å²	110	108.9 Å²	108.9	51%	0.514	58%	0.579	S	S	.	*	H	α-helix	trans	-85.7	-26.6	174	-70.6	-173.5	24	0	0	113	F19 D20 N21 Q25	F19-Q23 WeakPolarHBondContact O-CG 3.31Å; F19-Q23 PolarHBondContact O-N 3.38Å; D20-Q23 PolarHBondContact O-N 3.16Å; N21-Q23 VanDerWaalsContact C-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.89Å
24	G	42.1	Very low	47.5	Very low	66 Å²	66	111.3 Å²	111.3	68%	0.68	60%	0.599	S	S	*	*	H	α-helix	trans	-66.3	-16.2	173.4	0	0	0	0	0	115	D20	D20-G24 PolarHBondContact O-N 3.26Å; D20-G24 VanDerWaalsContact O-N 3.1Å
25	Q	43.1	Very low	46.7	Very low	175 Å²	175	114.4 Å²	114.4	82%	0.818	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-2.4	-174.7	-146.9	173.9	9.8	0	0	114.2	Q23	Q23-Q25 PolarHBondContact O-N 2.89Å
26	R	42.7	Very low	45.6	Very low	195 Å²	195	118 Å²	118	74%	0.736	63%	0.628	S	S	*	*	S	Bend	trans	-106.3	2.1	-175.6	-76.9	-165.3	-165.6	-172.1	5.6	115.9	P28	R26-P28 WeakPolarHBondContact O-CD 3.49Å
27	D	38.9	Very low	44.8	Very low	120 Å²	120	122 Å²	122	64%	0.642	65%	0.645	S	S	*	*			trans	-92.8	97.9	167.7	-73.5	-35.5	0	0	0	108.5
28	P	48.8	Very low	44.1	Very low	102 Å²	102	124.7 Å²	124.7	66%	0.662	66%	0.661	S	S	*	*			trans	-58.6	150.5	165	27	-33.4	0	0	0	108.6	R26 R30	R26-P28 WeakPolarHBondContact O-CD 3.49Å; P28-R30 PolarHBondContact O-N 3.49Å
29	P	45.4	Very low	43.8	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	67%	0.67	S	S	*	*			trans	-52.2	118.1	178.4	20.4	-30.7	0	0	0	109.1	T31	P29-T31 VanDerWaalsContact C-N 3.3Å; P29-T31 PolarHBondContact O-N 2.84Å
30	R	47.3	Very low	43.5	Very low	226 Å²	226	125.7 Å²	125.7	85%	0.853	68%	0.675	S	S	*	*			trans	-62.7	94.4	175.4	-174.9	179.1	174.3	133.7	-1.2	107.6	P28 N32	P28-R30 PolarHBondContact O-N 3.49Å; R30-N32 PolarHBondContact O-N 3.13Å; R30-N32 VanDerWaalsContact O-N 3.07Å
31	T	43.3	Very low	43.3	Very low	102 Å²	102	128.3 Å²	128.3	63%	0.626	68%	0.683	S	S	*	*			trans	-61.2	109.5	164	42.8	0	0	0	0	107.2	P29 N33	P29-T31 VanDerWaalsContact C-N 3.3Å; P29-T31 PolarHBondContact O-N 2.84Å; T31-N33 PolarHBondContact O-N 2.82Å
32	N	44.2	Very low	43.4	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	70%	0.698	S	S	*	*			trans	-65.2	80.2	164.6	-92.1	-13.9	0	0	0	108.1	R30 T34	R30-N32 PolarHBondContact O-N 3.13Å; R30-N32 VanDerWaalsContact O-N 3.07Å; N32-T34 PolarHBondContact O-N 2.87Å
33	N	41.3	Very low	43.4	Very low	128 Å²	128	137.1 Å²	137.1	68%	0.684	72%	0.718	S	S	*	*			trans	-82.5	98.5	162.7	-67.2	2.8	0	0	0	105.4	T31 I35	T31-N33 PolarHBondContact O-N 2.82Å; N33-I35 PolarHBondContact O-N 3.19Å
34	T	42.1	Very low	43.5	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	72%	0.721	S	S	*	*			trans	-49.6	108.6	163.2	-60.6	0	0	0	0	107.6	N32 T36	N32-T34 PolarHBondContact O-N 2.87Å; T34-T36 VanDerWaalsContact C-N 3.28Å; T34-T36 PolarHBondContact O-N 2.9Å
35	I	48	Very low	43.6	Very low	140 Å²	140	141.4 Å²	141.4	72%	0.718	73%	0.732	S	S	*	*			trans	-73.8	93.5	167.8	-60	175.4	0	0	0	105.3	N33 H37	N33-I35 PolarHBondContact O-N 3.19Å; I35-H37 PolarHBondContact O-N 3.26Å; I35-H37 VanDerWaalsContact O-N 3.11Å
36	T	36.7	Very low	43.5	Very low	105 Å²	105	141.5 Å²	141.5	64%	0.644	74%	0.737	S	S	*	*			trans	-66.8	104.7	162.5	-57.1	0	0	0	0	106.7	T34 T38	T34-T36 VanDerWaalsContact C-N 3.28Å; T34-T36 PolarHBondContact O-N 2.9Å; T36-T38 VanDerWaalsContact C-N 3.3Å; T36-T38 HydrophobicContact CG2-CG2 4.42Å; T36-T38 PolarHBondContact O-N 3.41Å
37	H	43.9	Very low	43.2	Very low	165 Å²	165	136.6 Å²	136.6	76%	0.764	73%	0.733	S	S	*	*			trans	-65.1	94.7	162.3	-87.2	-93.3	0	0	0	107.9	I35 T39	I35-H37 PolarHBondContact O-N 3.26Å; I35-H37 VanDerWaalsContact O-N 3.11Å; H37-T39 PolarHBondContact O-N 2.89Å
38	T	44.1	Very low	43.3	Very low	108 Å²	108	138.9 Å²	138.9	66%	0.663	74%	0.739	S	S	*	*			trans	-72.7	99.9	160.1	28.5	0	0	0	0	107.8	T36 N40	T36-T38 VanDerWaalsContact C-N 3.3Å; T36-T38 HydrophobicContact CG2-CG2 4.42Å; T36-T38 PolarHBondContact O-N 3.41Å; T38-N40 PolarHBondContact O-N 2.88Å
39	T	48.2	Very low	42.8	Very low	103 Å²	103	142 Å²	142	63%	0.632	75%	0.745	S	S	*	*			trans	-66	99.8	162.2	-60.4	0	0	0	0	107.5	H37 H41	H37-T39 PolarHBondContact O-N 2.89Å; T39-H41 VanDerWaalsContact C-N 3.35Å; T39-H41 PolarHBondContact O-N 2.92Å
40	N	44.3	Very low	42.4	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	74%	0.74	S	S	*	*			trans	-67	96.6	167.2	-72.8	-31.1	0	0	0	108.1	T38 Y42	T38-N40 PolarHBondContact O-N 2.88Å; N40-Y42 VanDerWaalsContact C-N 3.31Å; N40-Y42 PolarHBondContact O-N 3.25Å
41	H	41.8	Very low	41.9	Very low	160 Å²	160	137.8 Å²	137.8	74%	0.741	74%	0.737	S	S	*	*			trans	-69.5	93.5	163.7	-78.7	-86.7	0	0	0	108.2	T39 V43	T39-H41 VanDerWaalsContact C-N 3.35Å; T39-H41 PolarHBondContact O-N 2.92Å; H41-V43 PolarHBondContact O-N 2.9Å
42	Y	42.6	Very low	41.7	Very low	221 Å²	221	139.7 Å²	139.7	87%	0.867	75%	0.748	S	S	*	*			trans	-66.7	99.2	171.7	-134.1	-93.9	0	0	0	108.5	N40 G44	N40-Y42 VanDerWaalsContact C-N 3.31Å; N40-Y42 PolarHBondContact O-N 3.25Å; Y42-G44 VanDerWaalsContact C-N 3.35Å; Y42-G44 PolarHBondContact O-N 3.31Å
43	V	42.8	Very low	41.3	Very low	137 Å²	137	138.4 Å²	138.4	83%	0.83	75%	0.748	S	S	*	*			trans	-95.8	73.5	165.9	-169.6	0	0	0	0	107.1	H41	H41-V43 PolarHBondContact O-N 2.9Å
44	G	41.7	Very low	41.2	Very low	57 Å²	57	137.1 Å²	137.1	59%	0.588	76%	0.755	S	S	*	*			trans	-81.7	113.3	172.9	0	0	0	0	0	109.8	Y42 L46	Y42-G44 VanDerWaalsContact C-N 3.35Å; Y42-G44 PolarHBondContact O-N 3.31Å; G44-L46 PolarHBondContact O-N 3.35Å
45	K	44.4	Very low	41.1	Very low	208 Å²	208	141.1 Å²	141.1	90%	0.904	76%	0.762	S	S	*	*			trans	-55	124.1	173.6	-75.4	176.9	175.7	177.5	0	110.5	S47	K45-S47 PolarHBondContact O-N 2.88Å
46	L	40.8	Very low	40.8	Very low	177 Å²	177	141.4 Å²	141.4	93%	0.927	77%	0.771	S	S	*	*			trans	-68.2	115.3	171.1	-162.6	80.7	0	0	0	109.2	G44	G44-L46 PolarHBondContact O-N 3.35Å
47	S	36.5	Very low	41.1	Very low	93 Å²	93	142.9 Å²	142.9	65%	0.65	78%	0.78	S	S	*	*			trans	-160.6	102.3	163.5	176.4	0	0	0	0	112	K45	K45-S47 PolarHBondContact O-N 2.88Å
48	H	40.8	Very low	40.9	Very low	167 Å²	167	146.5 Å²	146.5	77%	0.773	79%	0.787	S	S	*	*			trans	61.9	118.7	142.6	-53.2	96.9	0	0	0	120.7
49	H	38.6	Very low	40.6	Very low	168 Å²	168	151.3 Å²	151.3	78%	0.778	80%	0.798	S	S	*	*			trans	107.3	126.1	130.9	-125	-75.7	0	0	0	119.1
50	N	36.8	Very low	40.1	Very low	130 Å²	130	151.4 Å²	151.4	70%	0.695	80%	0.803	S	S	*	*			trans	86.7	86.1	161.1	-77.5	0.8	0	0	0	121.7
51	T	36.6	Very low	39.9	Very low	129 Å²	129	153.7 Å²	153.7	79%	0.791	81%	0.809	S	S	*	*				11.8	113.3	117.9	-40.7	0	0	0	0	119.3
52	V	39.5	Very low	39.5	Very low	142 Å²	142	153.6 Å²	153.6	86%	0.861	81%	0.809	S	S	*	*			trans	-153.5	133.1	133	-170.9	0	0	0	0	108.8
53	P	36.1	Very low	39.6	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	80%	0.803	S	S	*	*			trans	-99.9	153.1	-169	37	-32.5	0	0	0	116.1
54	A	39	Very low	39.6	Very low	102 Å²	102	147.3 Å²	147.3	84%	0.843	79%	0.794	S	S	*	*			trans	59.9	114.4	146.5	0	0	0	0	0	121.5
55	K	39.6	Very low	39.8	Very low	204 Å²	204	148.8 Å²	148.8	89%	0.887	80%	0.801	S	S	*	*			trans	-137	119.9	142	-142.6	173.6	-173.2	177.6	0	109.9
56	T	42.2	Very low	39.7	Very low	147 Å²	147	145 Å²	145	90%	0.902	80%	0.795	S	S	*	*			trans	-59.2	125.8	179.7	12.7	0	0	0	0	112.7
57	T	42.5	Very low	39.9	Very low	135 Å²	135	140 Å²	140	83%	0.828	78%	0.78	S	S	*	*			trans	-121.8	115.6	162.3	-47.9	0	0	0	0	109.1	K59	T57-K59 PolarHBondContact O-N 3.5Å
58	R	39.4	Very low	39.9	Very low	242 Å²	242	140.2 Å²	140.2	91%	0.913	78%	0.781	S	S	*	*			trans	-49.2	123.4	177	-143.5	173.8	-179.6	-174.2	-0.5	109.8	S60	R58-S60 VanDerWaalsContact C-N 3.31Å; R58-S60 PolarHBondContact O-N 2.9Å
59	K	37.9	Very low	40.1	Very low	209 Å²	209	140.8 Å²	140.8	91%	0.909	78%	0.784	S	S	*	*			trans	-66.2	93	166.5	-78.1	-174.1	176.8	-179.6	0	108.1	T57 Q61	T57-K59 PolarHBondContact O-N 3.5Å; K59-Q61 PolarHBondContact O-N 2.92Å
60	S	38.7	Very low	40.3	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	78%	0.775	S	S	*	*			trans	-67.4	112.2	162.4	-178	0	0	0	0	107	R58 H62	R58-S60 VanDerWaalsContact C-N 3.31Å; R58-S60 PolarHBondContact O-N 2.9Å; S60-H62 VanDerWaalsContact C-N 3.3Å; S60-H62 PolarHBondContact O-N 3Å
61	Q	39.5	Very low	40.4	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	76%	0.764	S	S	*	*			trans	-59.4	99.7	162.6	-87.4	173.1	-23.8	0	0	107	K59 T63	K59-Q61 PolarHBondContact O-N 2.92Å; Q61-T63 PolarHBondContact O-N 2.75Å
62	H	34.9	Very low	40.9	Very low	157 Å²	157	137.4 Å²	137.4	73%	0.727	76%	0.762	S	S	*	*			trans	-77.9	97.5	163.8	-158.3	-78.9	0	0	0	105.8	S60 T64	S60-H62 VanDerWaalsContact C-N 3.3Å; S60-H62 PolarHBondContact O-N 3Å; H62-T64 PolarHBondContact O-N 2.81Å
63	T	44.6	Very low	41	Very low	123 Å²	123	135.4 Å²	135.4	76%	0.755	75%	0.75	S	S	*	*			trans	-64.2	93.9	163.6	-53.5	0	0	0	0	106.2	Q61 A65	Q61-T63 PolarHBondContact O-N 2.75Å; T63-A65 PolarHBondContact O-N 2.9Å
64	T	41.7	Very low	41.4	Very low	104 Å²	104	134.4 Å²	134.4	64%	0.638	74%	0.742	S	S	*	*			trans	-66.8	101.9	168	-48.1	0	0	0	0	106	H62 T66	H62-T64 PolarHBondContact O-N 2.81Å; T64-T66 VanDerWaalsContact C-N 3.29Å; T64-T66 PolarHBondContact O-N 3.37Å
65	A	45.1	Very low	41.4	Very low	88 Å²	88	136 Å²	136	73%	0.727	73%	0.732	S	S	*	*			trans	-59.6	101	162.7	0	0	0	0	0	106.2	T63 A67	T63-A65 PolarHBondContact O-N 2.9Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.36Å
66	T	43.2	Very low	41.4	Very low	127 Å²	127	132.8 Å²	132.8	78%	0.779	72%	0.718	S	S	*	*			trans	-58.4	103.7	168.1	-49.9	0	0	0	0	105.9	T64 S68	T64-T66 VanDerWaalsContact C-N 3.29Å; T64-T66 PolarHBondContact O-N 3.37Å; T66-S68 PolarHBondContact O-N 3.01Å
67	A	44	Very low	41.5	Very low	73 Å²	73	132.9 Å²	132.9	60%	0.603	71%	0.706	S	S	*	*			trans	-56.8	115.6	169.7	0	0	0	0	0	106	A65 H69	A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.36Å; A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.27Å
68	S	37.3	Very low	41.7	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	69%	0.694	S	S	*	*			trans	-51.8	103.8	168.7	168.6	0	0	0	0	106.6	T66 T70	T66-S68 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact OG-OG1 3.45Å
69	H	45.2	Very low	42.2	Very low	179 Å²	179	124.1 Å²	124.1	83%	0.829	68%	0.677	S	S	*	*			trans	-66.4	76	164.4	-83.2	-89.7	0	0	0	106.2	A67 D71	A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.27Å; H69-D71 PolarHBondContact O-N 3.21Å
70	T	42.3	Very low	42.9	Very low	95 Å²	95	120 Å²	120	58%	0.583	67%	0.665	S	S	*	*			trans	-66.6	95	158.5	-47.6	0	0	0	0	104.1	S68 K72	S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact OG-OG1 3.45Å; T70-K72 PolarHBondContact O-N 2.86Å
71	D	39.6	Very low	43.7	Very low	90 Å²	90	122.9 Å²	122.9	48%	0.481	67%	0.665	S	S	.	*			trans	-47.8	104.4	-175.3	-168.4	-8.9	0	0	0	109	H69 T73 V74	H69-D71 PolarHBondContact O-N 3.21Å; D71-T73 PolarHBondContact O-N 3.4Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.42Å; D71-V74 HydrophobicContact CB-CG2 4.12Å; D71-V74 WeakPolarHBondContact O-CB 3.28Å; D71-V74 PolarHBondContact O-N 3.12Å
72	K	45.8	Very low	44.5	Very low	171 Å²	171	116.7 Å²	116.7	74%	0.743	64%	0.636	S	S	*	*	H	α-helix	trans	-63	-10.1	-179.1	-65.9	-176	179	-180	0	111.4	T70 V74 Q75	T70-K72 PolarHBondContact O-N 2.86Å; K72-V74 VanDerWaalsContact C-N 3.28Å; K72-Q75 PolarHBondContact O-N 3.2Å
73	T	43.2	Very low	45.8	Very low	99 Å²	99	112.1 Å²	112.1	61%	0.607	62%	0.62	S	S	*	*	H	α-helix	trans	-69.4	-23.4	170	-28.3	0	0	0	0	112.6	D71	D71-T73 PolarHBondContact O-N 3.4Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.42Å
74	V	43.8	Very low	46.3	Very low	90 Å²	90	109.6 Å²	109.6	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-74.3	-32.8	174	-178.1	0	0	0	0	110.9	D71 K72 K77	D71-V74 HydrophobicContact CB-CG2 4.12Å; D71-V74 WeakPolarHBondContact O-CB 3.28Å; D71-V74 PolarHBondContact O-N 3.12Å; K72-V74 VanDerWaalsContact C-N 3.28Å; V74-K77 PolarHBondContact O-N 3.06Å
75	Q	39.1	Very low	47	Very low	135 Å²	135	111.7 Å²	111.7	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-73	-34.1	-176.7	-72.7	-173.3	10.8	0	0	113.4	K72 K77 C78	K72-Q75 PolarHBondContact O-N 3.2Å; Q75-K77 PolarHBondContact O-N 2.96Å; Q75-C78 PolarHBondContact O-N 2.87Å
76	K	39.9	Very low	47.8	Very low	137 Å²	137	111.1 Å²	111.1	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-65	-23.3	173.2	-88.9	-176.4	174.7	177.7	0	113.3
77	K	44.5	Very low	48.8	Very low	150 Å²	150	106.6 Å²	106.6	65%	0.652	56%	0.563	S	S	*	*	H	α-helix	trans	-80.4	-17.2	177.9	-105.9	177.2	-178.8	174.8	0	114.2	V74 Q75	V74-K77 PolarHBondContact O-N 3.06Å; Q75-K77 PolarHBondContact O-N 2.96Å
78	C	45.4	Very low	49.6	Very low	85 Å²	85	106 Å²	106	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-80.2	-29.5	-176.4	-84.1	0	0	0	0	113.3	Q75	Q75-C78 PolarHBondContact O-N 2.87Å
79	L	49.9	Very low	50.9	Low	107 Å²	107	104.8 Å²	104.8	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-80.5	-36.9	177.7	-98.1	76.7	0	0	0	112.8	K81 M82	L79-K81 PolarHBondContact O-N 2.95Å; L79-K81 VanDerWaalsContact O-N 3.13Å; L79-M82 WeakPolarHBondContact O-CB 3.31Å; L79-M82 PolarHBondContact O-N 2.73Å; L79-M82 VanDerWaalsContact O-N 3.17Å
80	N	52.7	Low	51.9	Low	122 Å²	122	100 Å²	100	65%	0.652	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-6	-176.4	-126.7	8.7	0	0	0	114.3	E127	N80-E127 PolarHBondContact ND2-OE2 2.92Å
81	K	56.2	Low	52.8	Low	166 Å²	166	97.5 Å²	97.5	72%	0.722	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	0.3	175.6	-68.4	-170.8	174.7	-167.3	0	113.2	L79 T83	L79-K81 PolarHBondContact O-N 2.95Å; L79-K81 VanDerWaalsContact O-N 3.13Å; K81-T83 PolarHBondContact O-N 3.25Å
82	M	56.8	Low	54	Low	54 Å²	54	95.7 Å²	95.7	27%	0.266	49%	0.492	S	S	.	.			trans	-76.3	112.6	-175.8	-161	154.4	-179.7	0	0	108.5	L79 D86 L90	L79-M82 WeakPolarHBondContact O-CB 3.31Å; L79-M82 PolarHBondContact O-N 2.73Å; L79-M82 VanDerWaalsContact O-N 3.17Å; M82-D86 VanDerWaalsContact CE-C 3.46Å; M82-D86 HydrophobicContact CE-CB 3.89Å; M82-D86 WeakPolarHBondContact CE-O 3.39Å; M82-D86 HydrophobicContact CG-CB 3.48Å; M82-D86 VanDerWaalsContact CG-CB 3.48Å; M82-L90 HydrophobicContact CE-CB 3.83Å; M82-L90 HydrophobicContact CE-CD2 3.74Å; M82-L90 HydrophobicContact CE-CG 4.35Å
83	T	60.7	Low	54.9	Low	62 Å²	62	92 Å²	92	38%	0.38	49%	0.487	S	S	.	.			trans	-69	155.9	176	64	0	0	0	0	109.3	K81 Q85 D86 L87	K81-T83 PolarHBondContact O-N 3.25Å; T83-Q85 PolarHBondContact O-N 3.07Å; T83-Q85 VanDerWaalsContact O-N 3.07Å; T83-D86 PolarHBondContact N-OD2 3.42Å; T83-D86 WeakPolarHBondContact O-CB 3.23Å; T83-D86 PolarHBondContact O-N 3.26Å; T83-D86 PolarHBondContact OG1-N 2.91Å; T83-D86 PolarHBondContact OG1-OD2 2.98Å; T83-L87 PolarHBondContact O-N 3.24Å; T83-L87 VanDerWaalsContact O-N 3.12Å
84	P	55.1	Low	55.7	Low	70 Å²	70	93.1 Å²	93.1	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-52.8	-31	172.9	-28	35.5	0	0	0	112.7	L87 I88	P84-L87 PolarHBondContact O-N 3.4Å; P84-I88 WeakPolarHBondContact O-CB 3.2Å; P84-I88 WeakPolarHBondContact O-CD1 3.21Å; P84-I88 WeakPolarHBondContact O-CG1 3.43Å; P84-I88 PolarHBondContact O-N 2.86Å
85	Q	56.5	Low	56.4	Low	148 Å²	148	90.8 Å²	90.8	69%	0.692	47%	0.473	S	S	*	.	H	α-helix	trans	-67.7	-38	174.6	-69.4	-173.8	-7.8	0	0	113.1	T83 L87 I88 S89	T83-Q85 PolarHBondContact O-N 3.07Å; T83-Q85 VanDerWaalsContact O-N 3.07Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-I88 PolarHBondContact O-N 2.82Å; Q85-S89 VanDerWaalsContact O-CB 3.3Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 3.25Å; Q85-S89 PolarHBondContact O-OG 2.92Å
86	D	62.5	Low	57.1	Low	76 Å²	76	89.1 Å²	89.1	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-65.9	-39.4	174.5	-63.1	-45	0	0	0	110.9	M82 T83 S89 L90	M82-D86 VanDerWaalsContact CE-C 3.46Å; M82-D86 HydrophobicContact CE-CB 3.89Å; M82-D86 WeakPolarHBondContact CE-O 3.39Å; M82-D86 HydrophobicContact CG-CB 3.48Å; M82-D86 VanDerWaalsContact CG-CB 3.48Å; T83-D86 PolarHBondContact N-OD2 3.42Å; T83-D86 WeakPolarHBondContact O-CB 3.23Å; T83-D86 PolarHBondContact O-N 3.26Å; T83-D86 PolarHBondContact OG1-N 2.91Å; T83-D86 PolarHBondContact OG1-OD2 2.98Å; D86-S89 PolarHBondContact O-N 2.92Å; D86-L90 WeakPolarHBondContact O-CB 3.4Å; D86-L90 PolarHBondContact O-N 2.93Å
87	L	63.6	Low	57.7	Low	32 Å²	32	90.1 Å²	90.1	17%	0.168	48%	0.481	C	S	.	.	H	α-helix	trans	-64.2	-45	174.8	-176.9	64.4	0	0	0	111.8	T83 P84 Q85 S89 L90 L91 F120	T83-L87 PolarHBondContact O-N 3.24Å; T83-L87 VanDerWaalsContact O-N 3.12Å; P84-L87 PolarHBondContact O-N 3.4Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.5Å; L87-L90 WeakPolarHBondContact O-CB 3.23Å; L87-L90 PolarHBondContact O-N 3.39Å; L87-L91 HydrophobicContact CD1-CD1 4.04Å; L87-L91 HydrophobicContact CG-CD1 3.95Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 PolarHBondContact O-N 3.21Å; L87-F120 HydrophobicContact CD2-CE2 3.75Å; L87-F120 HydrophobicContact CD2-CZ 3.87Å
88	I	61.8	Low	58.2	Low	59 Å²	59	83.2 Å²	83.2	30%	0.303	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.8	-71.8	163.9	0	0	0	110.2	P84 Q85 L90 L91 F92	P84-I88 WeakPolarHBondContact O-CB 3.2Å; P84-I88 WeakPolarHBondContact O-CD1 3.21Å; P84-I88 WeakPolarHBondContact O-CG1 3.43Å; P84-I88 PolarHBondContact O-N 2.86Å; Q85-I88 PolarHBondContact O-N 2.82Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.49Å; I88-L91 WeakPolarHBondContact O-CB 3.39Å; I88-L91 PolarHBondContact O-N 2.91Å; I88-L91 VanDerWaalsContact O-N 3.16Å; I88-F92 HydrophobicContact CG2-CD2 3.52Å; I88-F92 HydrophobicContact CG2-CE2 3.31Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 2.88Å
89	S	63.5	Low	58.3	Low	73 Å²	73	87.4 Å²	87.4	51%	0.51	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-39	176.8	-62.1	0	0	0	0	112	Q85 D86 L87 F92 S93	Q85-S89 VanDerWaalsContact O-CB 3.3Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 3.25Å; Q85-S89 PolarHBondContact O-OG 2.92Å; D86-S89 PolarHBondContact O-N 2.92Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.5Å; S89-F92 PolarHBondContact O-N 3Å; S89-S93 WeakPolarHBondContact O-CB 3.37Å; S89-S93 PolarHBondContact O-N 3.29Å
90	L	66.1	Low	58.3	Low	79 Å²	79	88.3 Å²	88.3	41%	0.414	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-42.1	173.4	-175.1	67.6	0	0	0	111.2	M82 D86 L87 I88 S93 L94	M82-L90 HydrophobicContact CE-CB 3.83Å; M82-L90 HydrophobicContact CE-CD2 3.74Å; M82-L90 HydrophobicContact CE-CG 4.35Å; D86-L90 WeakPolarHBondContact O-CB 3.4Å; D86-L90 PolarHBondContact O-N 2.93Å; L87-L90 WeakPolarHBondContact O-CB 3.23Å; L87-L90 PolarHBondContact O-N 3.39Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.49Å; L90-S93 WeakPolarHBondContact O-CB 3.35Å; L90-S93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.33Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.17Å
91	L	63.3	Low	58.2	Low	42 Å²	42	85.6 Å²	85.6	22%	0.22	45%	0.454	C	S	.	.	H	α-helix	trans	-59.7	-47.2	173.4	-100	92.9	0	0	0	112	L9 L87 I88 S93 L94 I95	L9-L91 HydrophobicContact CD1-CD2 4.35Å; L9-L91 HydrophobicContact CD2-CD2 3.45Å; L9-L91 VanDerWaalsContact CD2-CD2 3.45Å; L9-L91 HydrophobicContact CD2-CG 4.28Å; L87-L91 HydrophobicContact CD1-CD1 4.04Å; L87-L91 HydrophobicContact CG-CD1 3.95Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 PolarHBondContact O-N 3.21Å; I88-L91 WeakPolarHBondContact O-CB 3.39Å; I88-L91 PolarHBondContact O-N 2.91Å; I88-L91 VanDerWaalsContact O-N 3.16Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.13Å; L91-I95 PolarHBondContact O-N 2.92Å
92	F	64.4	Low	58	Low	52 Å²	52	83.1 Å²	83.1	23%	0.228	45%	0.445	C	S	.	.	H	α-helix	trans	-64.7	-32.6	177.4	-81.6	-71.4	0	0	0	112.8	I88 S89 I95 I98 K99 F103	I88-F92 HydrophobicContact CG2-CD2 3.52Å; I88-F92 HydrophobicContact CG2-CE2 3.31Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 2.88Å; S89-F92 PolarHBondContact O-N 3Å; F92-I95 CarbonylContact O-C 3.44Å; F92-I98 HydrophobicContact CD1-CB 3.69Å; F92-I98 HydrophobicContact CD1-CG2 3.67Å; F92-I98 HydrophobicContact CE1-CB 3.85Å; F92-I98 HydrophobicContact CE1-CG2 3.33Å; F92-I98 HydrophobicContact CZ-CG2 4.07Å; F92-K99 HydrophobicContact CD1-CG 4.39Å; F92-F103 HydrophobicContact CE1-CD2 4.15Å; F92-F103 HydrophobicContact CE1-CE2 4.06Å; F92-F103 HydrophobicContact CE2-CD2 4.16Å; F92-F103 AromaticContact CE2-CE2 3.94Å; F92-F103 HydrophobicContact CE2-CE2 3.94Å; F92-F103 AromaticContact CZ-CD2 3.37Å; F92-F103 HydrophobicContact CZ-CD2 3.37Å; F92-F103 AromaticContact CZ-CE2 3.39Å; F92-F103 HydrophobicContact CZ-CE2 3.39Å; F92-F103 HydrophobicContact CZ-CG 4.37Å; F92-F103 HydrophobicContact CZ-CZ 4.42Å
93	S	63.9	Low	57.9	Low	93 Å²	93	83.6 Å²	83.6	65%	0.65	45%	0.446	S	S	*	.	H	α-helix	trans	-69.3	-44.3	174.8	-179	0	0	0	0	111.9	S89 L90 L91 I95	S89-S93 WeakPolarHBondContact O-CB 3.37Å; S89-S93 PolarHBondContact O-N 3.29Å; L90-S93 WeakPolarHBondContact O-CB 3.35Å; L90-S93 PolarHBondContact O-N 3.29Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 3.36Å; S93-I95 VanDerWaalsContact C-N 3.3Å; S93-I95 PolarHBondContact O-N 3.27Å
94	L	59.3	Low	57.3	Low	123 Å²	123	85.6 Å²	85.6	64%	0.644	46%	0.463	S	S	*	.	H	α-helix	trans	-71.2	-26.4	-179.5	-73.9	165.1	0	0	0	112.8	L90 L91	L90-L94 HydrophobicContact CD1-CD1 4.33Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 3.13Å
95	I	59.1	Low	57.2	Low	42 Å²	42	89.5 Å²	89.5	22%	0.215	48%	0.475	C	S	.	.			trans	-127.9	91.1	179.7	-46.8	-178.9	0	0	0	109	F5 L91 F92 S93 Q97 I98	F5-I95 HydrophobicContact CD2-CD1 4.43Å; F5-I95 HydrophobicContact CE2-CD1 3.46Å; F5-I95 VanDerWaalsContact CE2-CD1 3.46Å; F5-I95 HydrophobicContact CE2-CG2 4.11Å; F5-I95 HydrophobicContact CZ-CD1 3.95Å; L91-I95 PolarHBondContact O-N 2.92Å; F92-I95 CarbonylContact O-C 3.44Å; S93-I95 VanDerWaalsContact C-N 3.3Å; S93-I95 PolarHBondContact O-N 3.27Å; I95-Q97 HydrophobicContact CG2-CB 4.21Å; I95-Q97 PolarHBondContact O-N 3.26Å; I95-I98 HydrophobicContact CB-CD1 3.55Å; I95-I98 HydrophobicContact CB-CG1 3.64Å; I95-I98 HydrophobicContact CD1-CD1 4.04Å; I95-I98 HydrophobicContact CG1-CD1 4.13Å; I95-I98 HydrophobicContact CG2-CD1 4.12Å; I95-I98 HydrophobicContact CG2-CG1 3.67Å; I95-I98 PolarHBondContact O-N 3.05Å
96	P	54.6	Low	57.2	Low	99 Å²	99	84.1 Å²	84.1	64%	0.643	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-55	-25.8	179.3	-24.2	31.8	0	0	0	113.2	I98 K99	P96-I98 VanDerWaalsContact C-N 3.31Å; P96-I98 PolarHBondContact O-N 3.37Å; P96-K99 PolarHBondContact O-N 2.94Å
97	Q	52.3	Low	57.1	Low	159 Å²	159	86.9 Å²	86.9	74%	0.743	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-74.6	-14.2	-178.4	-60.3	-167.9	-3.5	0	0	114.3	I95 K99 T100	I95-Q97 HydrophobicContact CG2-CB 4.21Å; I95-Q97 PolarHBondContact O-N 3.26Å; Q97-K99 VanDerWaalsContact C-N 3.32Å; Q97-T100 PolarHBondContact O-OG1 3.07Å
98	I	53.8	Low	56.9	Low	4 Å²	4	89.2 Å²	89.2	2%	0.021	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-76	-23.5	177	-50.5	169.1	0	0	0	110.8	F5 F92 I95 P96 T100 I101 F103	F5-I98 HydrophobicContact CE2-CD1 4.01Å; F5-I98 HydrophobicContact CE2-CG1 3.83Å; F5-I98 HydrophobicContact CZ-CD1 3.46Å; F5-I98 VanDerWaalsContact CZ-CD1 3.46Å; F5-I98 HydrophobicContact CZ-CG1 3.58Å; F92-I98 HydrophobicContact CD1-CB 3.69Å; F92-I98 HydrophobicContact CD1-CG2 3.67Å; F92-I98 HydrophobicContact CE1-CB 3.85Å; F92-I98 HydrophobicContact CE1-CG2 3.33Å; F92-I98 HydrophobicContact CZ-CG2 4.07Å; I95-I98 HydrophobicContact CB-CD1 3.55Å; I95-I98 HydrophobicContact CB-CG1 3.64Å; I95-I98 HydrophobicContact CD1-CD1 4.04Å; I95-I98 HydrophobicContact CG1-CD1 4.13Å; I95-I98 HydrophobicContact CG2-CD1 4.12Å; I95-I98 HydrophobicContact CG2-CG1 3.67Å; I95-I98 PolarHBondContact O-N 3.05Å; P96-I98 VanDerWaalsContact C-N 3.31Å; P96-I98 PolarHBondContact O-N 3.37Å; I98-T100 PolarHBondContact O-N 3.46Å; I98-I101 PolarHBondContact O-N 3.23Å; I98-F103 HydrophobicContact CG2-CD2 4.43Å; I98-F103 HydrophobicContact CG2-CE2 3.77Å
99	K	49.3	Very low	56.6	Low	173 Å²	173	87 Å²	87	75%	0.752	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-54.2	-24.5	-179.3	-82	-170.5	173.8	-176.8	0	113.8	F92 P96 Q97	F92-K99 HydrophobicContact CD1-CG 4.39Å; P96-K99 PolarHBondContact O-N 2.94Å; Q97-K99 VanDerWaalsContact C-N 3.32Å
100	T	48.7	Very low	56.4	Low	126 Å²	126	89 Å²	89	77%	0.773	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-86.6	-9.4	179	13.5	0	0	0	0	114.8	Q97 I98	Q97-T100 PolarHBondContact O-OG1 3.07Å; I98-T100 PolarHBondContact O-N 3.46Å
101	I	52	Low	56.4	Low	65 Å²	65	90.4 Å²	90.4	33%	0.333	47%	0.47	S	S	.	.	S	Bend	trans	-94	107	178.9	-52.8	176	0	0	0	107	I98 F103 L109	I98-I101 PolarHBondContact O-N 3.23Å; I101-F103 PolarHBondContact O-N 3.32Å; I101-L109 HydrophobicContact CG2-CD1 3.65Å
102	E	51.8	Low	56.3	Low	115 Å²	115	91.2 Å²	91.2	54%	0.537	47%	0.474	S	S	.	.			trans	-56.7	102.9	166.3	-85	-169.1	-163.7	0	0	108.5	S104 Q105	E102-S104 PolarHBondContact O-N 2.63Å; E102-S104 VanDerWaalsContact O-N 3.12Å; E102-Q105 HydrophobicContact CB-CB 4.19Å; E102-Q105 HydrophobicContact CB-CG 3.9Å; E102-Q105 PolarHBondContact O-N 3.32Å; E102-Q105 VanDerWaalsContact OE2-CG 3.27Å; E102-Q105 WeakPolarHBondContact OE2-CG 3.14Å; E102-Q105 PolarHBondContact OE2-NE2 3.45Å
103	F	52.9	Low	56.2	Low	63 Å²	63	90.3 Å²	90.3	28%	0.276	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.5	179.1	-115	-102.1	0	0	0	111.8	F92 I98 I101 Q105 L109	F92-F103 HydrophobicContact CE1-CD2 4.15Å; F92-F103 HydrophobicContact CE1-CE2 4.06Å; F92-F103 HydrophobicContact CE2-CD2 4.16Å; F92-F103 AromaticContact CE2-CE2 3.94Å; F92-F103 HydrophobicContact CE2-CE2 3.94Å; F92-F103 AromaticContact CZ-CD2 3.37Å; F92-F103 HydrophobicContact CZ-CD2 3.37Å; F92-F103 AromaticContact CZ-CE2 3.39Å; F92-F103 HydrophobicContact CZ-CE2 3.39Å; F92-F103 HydrophobicContact CZ-CG 4.37Å; F92-F103 HydrophobicContact CZ-CZ 4.42Å; I98-F103 HydrophobicContact CG2-CD2 4.43Å; I98-F103 HydrophobicContact CG2-CE2 3.77Å; I101-F103 PolarHBondContact O-N 3.32Å; F103-Q105 VanDerWaalsContact C-N 3.33Å; F103-L109 HydrophobicContact CD1-CB 3.73Å; F103-L109 HydrophobicContact CD1-CD1 4.16Å; F103-L109 HydrophobicContact CD1-CG 4.44Å; F103-L109 HydrophobicContact CD2-CD1 3.74Å; F103-L109 HydrophobicContact CE1-CB 3.75Å; F103-L109 HydrophobicContact CE1-CD1 4.23Å; F103-L109 HydrophobicContact CE1-CD2 4.12Å; F103-L109 HydrophobicContact CE1-CG 4.26Å; F103-L109 HydrophobicContact CE2-CD1 3.84Å; F103-L109 HydrophobicContact CE2-CD2 4.35Å; F103-L109 HydrophobicContact CG-CB 4.29Å; F103-L109 HydrophobicContact CG-CD1 3.94Å; F103-L109 HydrophobicContact CZ-CB 4.34Å; F103-L109 HydrophobicContact CZ-CD1 4.09Å; F103-L109 HydrophobicContact CZ-CD2 3.9Å; F103-L109 HydrophobicContact CZ-CG 4.35Å
104	S	48.9	Very low	56.3	Low	105 Å²	105	88.8 Å²	88.8	73%	0.734	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.7	175.3	47.6	0	0	0	0	113.9	E102	E102-S104 PolarHBondContact O-N 2.63Å; E102-S104 VanDerWaalsContact O-N 3.12Å
105	Q	52.9	Low	56.7	Low	151 Å²	151	87.4 Å²	87.4	71%	0.706	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.5	-175.6	-66.8	-169.6	5.8	0	0	113.6	E102 F103	E102-Q105 HydrophobicContact CB-CB 4.19Å; E102-Q105 HydrophobicContact CB-CG 3.9Å; E102-Q105 PolarHBondContact O-N 3.32Å; E102-Q105 VanDerWaalsContact OE2-CG 3.27Å; E102-Q105 WeakPolarHBondContact OE2-CG 3.14Å; E102-Q105 PolarHBondContact OE2-NE2 3.45Å; F103-Q105 VanDerWaalsContact C-N 3.33Å
106	N	56.5	Low	56.8	Low	35 Å²	35	87.1 Å²	87.1	19%	0.187	45%	0.454	C	S	.	.			trans	-105.9	100.3	-176.3	-162.1	-38.2	0	0	0	110.5	N108 L109 L110	N106-N108 PolarHBondContact O-N 3.41Å; N106-N108 VanDerWaalsContact OD1-CB 3.3Å; N106-N108 WeakPolarHBondContact OD1-CB 3.39Å; N106-N108 PolarHBondContact OD1-N 3.46Å; N106-N108 VanDerWaalsContact OD1-N 3.09Å; N106-L109 HydrophobicContact CB-CB 4.11Å; N106-L109 HydrophobicContact CB-CD1 3.84Å; N106-L109 HydrophobicContact CB-CG 3.93Å; N106-L109 WeakPolarHBondContact O-CB 3.47Å; N106-L109 PolarHBondContact O-N 3.48Å; N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.13Å
107	E	61	Low	57.2	Low	134 Å²	134	88.3 Å²	88.3	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-50.3	-31.8	175.8	-70.2	-170.2	-177.1	0	0	113	L110 K111	E107-L110 PolarHBondContact O-N 3.03Å; E107-K111 WeakPolarHBondContact O-CB 3.27Å; E107-K111 VanDerWaalsContact O-CG 3.23Å; E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.1Å; E107-K111 IonicContact OE2-NZ 3.27Å; E107-K111 PolarHBondContact OE2-NZ 3.35Å
108	N	57.8	Low	58	Low	81 Å²	81	86.9 Å²	86.9	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-73	-32	-179.9	-60.5	-44.1	0	0	0	112	N106 L112	N106-N108 PolarHBondContact O-N 3.41Å; N106-N108 VanDerWaalsContact OD1-CB 3.3Å; N106-N108 WeakPolarHBondContact OD1-CB 3.39Å; N106-N108 PolarHBondContact OD1-N 3.46Å; N106-N108 VanDerWaalsContact OD1-N 3.09Å; N108-L112 WeakPolarHBondContact O-CB 3.43Å; N108-L112 PolarHBondContact O-N 3.48Å
109	L	56.7	Low	58.4	Low	13 Å²	13	89 Å²	89	7%	0.068	45%	0.453	C	S	.	.	H	α-helix	trans	-72.8	-37	173.8	-69.8	178	0	0	0	111.2	I101 F103 N106 L112 A113	I101-L109 HydrophobicContact CG2-CD1 3.65Å; F103-L109 HydrophobicContact CD1-CB 3.73Å; F103-L109 HydrophobicContact CD1-CD1 4.16Å; F103-L109 HydrophobicContact CD1-CG 4.44Å; F103-L109 HydrophobicContact CD2-CD1 3.74Å; F103-L109 HydrophobicContact CE1-CB 3.75Å; F103-L109 HydrophobicContact CE1-CD1 4.23Å; F103-L109 HydrophobicContact CE1-CD2 4.12Å; F103-L109 HydrophobicContact CE1-CG 4.26Å; F103-L109 HydrophobicContact CE2-CD1 3.84Å; F103-L109 HydrophobicContact CE2-CD2 4.35Å; F103-L109 HydrophobicContact CG-CB 4.29Å; F103-L109 HydrophobicContact CG-CD1 3.94Å; F103-L109 HydrophobicContact CZ-CB 4.34Å; F103-L109 HydrophobicContact CZ-CD1 4.09Å; F103-L109 HydrophobicContact CZ-CD2 3.9Å; F103-L109 HydrophobicContact CZ-CG 4.35Å; N106-L109 HydrophobicContact CB-CB 4.11Å; N106-L109 HydrophobicContact CB-CD1 3.84Å; N106-L109 HydrophobicContact CB-CG 3.93Å; N106-L109 WeakPolarHBondContact O-CB 3.47Å; N106-L109 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.14Å; L109-A113 PolarHBondContact O-N 3.04Å
110	L	60.1	Low	58.8	Low	114 Å²	114	84.8 Å²	84.8	60%	0.597	44%	0.435	S	S	*	.	H	α-helix	trans	-64	-47.9	172.5	-174.2	63.5	0	0	0	111.2	N106 E107 L112 A113 T114	N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.13Å; E107-L110 PolarHBondContact O-N 3.03Å; L110-L112 VanDerWaalsContact C-N 3.29Å; L110-L112 PolarHBondContact O-N 2.98Å; L110-A113 PolarHBondContact O-N 3.34Å; L110-T114 PolarHBondContact O-N 2.85Å; L110-T114 PolarHBondContact O-OG1 3.47Å; L110-T114 VanDerWaalsContact O-OG1 3.06Å
111	K	64.4	Low	59.3	Low	110 Å²	110	85 Å²	85	48%	0.478	43%	0.427	S	S	.	.	H	α-helix	trans	-57.6	-42.6	173.9	-74.3	167.7	-171	161.7	0	111.4	E107 T114 I115	E107-K111 WeakPolarHBondContact O-CB 3.27Å; E107-K111 VanDerWaalsContact O-CG 3.23Å; E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.1Å; E107-K111 IonicContact OE2-NZ 3.27Å; E107-K111 PolarHBondContact OE2-NZ 3.35Å; K111-T114 PolarHBondContact O-N 2.96Å; K111-I115 WeakPolarHBondContact O-CD1 3.45Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.39Å; K111-I115 PolarHBondContact O-N 3.1Å
112	L	61	Low	59.5	Low	58 Å²	58	88.2 Å²	88.2	30%	0.304	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-43.5	177.4	-176.1	65.7	0	0	0	111.8	L9 N108 L109 L110 T114 I115 L116	L9-L112 HydrophobicContact CD1-CD2 3.74Å; N108-L112 WeakPolarHBondContact O-CB 3.43Å; N108-L112 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.28Å; L110-L112 VanDerWaalsContact C-N 3.29Å; L110-L112 PolarHBondContact O-N 2.98Å; L112-T114 PolarHBondContact O-N 3.25Å; L112-I115 PolarHBondContact O-N 3.4Å; L112-L116 HydrophobicContact CG-CD1 4.38Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.03Å
113	A	62.6	Low	59.3	Low	34 Å²	34	87.9 Å²	87.9	28%	0.281	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-44	175.6	0	0	0	0	0	111.7	L109 L110 I115 L116 E117	L109-A113 WeakPolarHBondContact O-CB 3.14Å; L109-A113 PolarHBondContact O-N 3.04Å; L110-A113 PolarHBondContact O-N 3.34Å; A113-I115 VanDerWaalsContact C-N 3.35Å; A113-I115 PolarHBondContact O-N 3.47Å; A113-L116 PolarHBondContact O-N 3.48Å; A113-E117 WeakPolarHBondContact O-CB 3.37Å; A113-E117 PolarHBondContact O-N 3.23Å
114	T	65.7	Low	59	Low	60 Å²	60	88.4 Å²	88.4	37%	0.368	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-38.6	175.2	-52.3	0	0	0	0	112.5	L110 K111 L112 K118	L110-T114 PolarHBondContact O-N 2.85Å; L110-T114 PolarHBondContact O-OG1 3.47Å; L110-T114 VanDerWaalsContact O-OG1 3.06Å; K111-T114 PolarHBondContact O-N 2.96Å; L112-T114 PolarHBondContact O-N 3.25Å; T114-K118 WeakPolarHBondContact O-CG 3.19Å; T114-K118 PolarHBondContact O-N 3.27Å; T114-K118 VanDerWaalsContact O-N 3.07Å
115	I	68.9	Low	58.8	Low	94 Å²	94	93.1 Å²	93.1	48%	0.482	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-44.3	175.6	-70	163.4	0	0	0	110.1	K111 L112 A113 K118 I119	K111-I115 WeakPolarHBondContact O-CD1 3.45Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.39Å; K111-I115 PolarHBondContact O-N 3.1Å; L112-I115 PolarHBondContact O-N 3.4Å; A113-I115 VanDerWaalsContact C-N 3.35Å; A113-I115 PolarHBondContact O-N 3.47Å; I115-K118 PolarHBondContact O-N 3.22Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 WeakPolarHBondContact O-CG1 3.31Å; I115-I119 PolarHBondContact O-N 3.43Å
116	L	61.2	Low	58.4	Low	37 Å²	37	90.5 Å²	90.5	19%	0.194	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-47.8	176.9	-72.5	170.1	0	0	0	111.1	F13 L112 A113 K118 I119 F120	F13-L116 HydrophobicContact CD2-CD2 4.06Å; F13-L116 HydrophobicContact CE2-CD2 3.8Å; L112-L116 HydrophobicContact CG-CD1 4.38Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.03Å; A113-L116 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 3.21Å; L116-I119 PolarHBondContact O-N 3.39Å; L116-F120 VanDerWaalsContact O-CD2 3.27Å; L116-F120 WeakPolarHBondContact O-CD2 3.5Å; L116-F120 PolarHBondContact O-N 3.47Å
117	E	63.2	Low	57.7	Low	123 Å²	123	95.4 Å²	95.4	58%	0.575	47%	0.468	S	S	*	.	H	α-helix	trans	-56.2	-45.1	177.5	-170.2	171.1	-152	0	0	111.9	A113 I119 F120 E121	A113-E117 WeakPolarHBondContact O-CB 3.37Å; A113-E117 PolarHBondContact O-N 3.23Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 2.82Å; E117-F120 PolarHBondContact O-N 3.44Å; E117-E121 WeakPolarHBondContact O-CB 3.32Å; E117-E121 PolarHBondContact O-N 3.03Å
118	K	68.7	Low	56.9	Low	129 Å²	129	96.5 Å²	96.5	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-61.1	-38.6	174.4	-75.8	-177.6	178.3	-175.3	0	113.2	T114 I115 L116 Q122	T114-K118 WeakPolarHBondContact O-CG 3.19Å; T114-K118 PolarHBondContact O-N 3.27Å; T114-K118 VanDerWaalsContact O-N 3.07Å; I115-K118 PolarHBondContact O-N 3.22Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 3.21Å; K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.37Å; K118-Q122 PolarHBondContact O-N 3.26Å
119	I	62.4	Low	55.9	Low	49 Å²	49	96.7 Å²	96.7	25%	0.251	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-42.2	178.2	-64.6	163.7	0	0	0	110.4	F13 I115 L116 E117 E121 Q122 Q123	F13-I119 HydrophobicContact CE1-CD1 4.24Å; F13-I119 HydrophobicContact CZ-CD1 3.81Å; F13-I119 HydrophobicContact CZ-CG2 4Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 WeakPolarHBondContact O-CG1 3.31Å; I115-I119 PolarHBondContact O-N 3.43Å; L116-I119 PolarHBondContact O-N 3.39Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 2.82Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 2.96Å; I119-Q122 PolarHBondContact O-N 2.97Å; I119-Q123 HydrophobicContact CG2-CG 4.44Å; I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.31Å
120	F	57.6	Low	54.9	Low	84 Å²	84	101.1 Å²	101.1	37%	0.368	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-41.3	175.9	-86.7	-79.5	0	0	0	112.1	L87 L116 E117 Q122 Q123 S124	L87-F120 HydrophobicContact CD2-CE2 3.75Å; L87-F120 HydrophobicContact CD2-CZ 3.87Å; L116-F120 VanDerWaalsContact O-CD2 3.27Å; L116-F120 WeakPolarHBondContact O-CD2 3.5Å; L116-F120 PolarHBondContact O-N 3.47Å; E117-F120 PolarHBondContact O-N 3.44Å; F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.06Å; F120-Q123 PolarHBondContact O-N 2.99Å; F120-S124 PolarHBondContact O-N 2.97Å; F120-S124 VanDerWaalsContact O-N 3.1Å
121	E	59.7	Low	54.2	Low	131 Å²	131	101.5 Å²	101.5	61%	0.612	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-36	176.7	-165.1	172.1	-163.2	0	0	112.3	E117 I119 R125	E117-E121 WeakPolarHBondContact O-CB 3.32Å; E117-E121 PolarHBondContact O-N 3.03Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 2.96Å; E121-R125 PolarHBondContact O-N 3.27Å
122	Q	55.2	Low	53	Low	132 Å²	132	102.1 Å²	102.1	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-67.6	-40.7	174	-75.6	-179.2	4	0	0	112.6	K118 I119 F120 S124 R125 V126	K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.37Å; K118-Q122 PolarHBondContact O-N 3.26Å; I119-Q122 PolarHBondContact O-N 2.97Å; F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.06Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 3.11Å; Q122-R125 PolarHBondContact O-N 3.01Å; Q122-V126 WeakPolarHBondContact O-CG2 3.05Å; Q122-V126 PolarHBondContact O-N 2.97Å
123	Q	47.2	Very low	52.1	Low	109 Å²	109	109.3 Å²	109.3	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-38.3	176.8	-68	-67.6	-5.3	0	0	111.9	I119 F120 R125 V126 E127	I119-Q123 HydrophobicContact CG2-CG 4.44Å; I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.31Å; F120-Q123 PolarHBondContact O-N 2.99Å; Q123-R125 VanDerWaalsContact C-N 3.31Å; Q123-R125 PolarHBondContact O-N 2.81Å; Q123-V126 PolarHBondContact O-N 3.07Å; Q123-E127 PolarHBondContact O-N 3.18Å
124	S	47.3	Very low	51.4	Low	74 Å²	74	113.5 Å²	113.5	52%	0.517	59%	0.586	S	S	.	*	H	α-helix	trans	-61	-36.2	173.7	175.5	0	0	0	0	113	F120 Q122	F120-S124 PolarHBondContact O-N 2.97Å; F120-S124 VanDerWaalsContact O-N 3.1Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 3.11Å
125	R	44.1	Very low	50.4	Low	204 Å²	204	116 Å²	116	77%	0.77	60%	0.604	S	S	*	*	H	α-helix	trans	-73	-27.3	176.2	-89.1	-175.7	171.4	-134.9	-0	114	E121 Q122 Q123	E121-R125 PolarHBondContact O-N 3.27Å; Q122-R125 PolarHBondContact O-N 3.01Å; Q123-R125 VanDerWaalsContact C-N 3.31Å; Q123-R125 PolarHBondContact O-N 2.81Å
126	V	45.7	Very low	49.6	Very low	96 Å²	96	116.1 Å²	116.1	58%	0.582	62%	0.619	S	S	*	*	H	α-helix	trans	-77.4	-29.1	-176.9	175.1	0	0	0	0	112.1	Q122 Q123 H128 S129	Q122-V126 WeakPolarHBondContact O-CG2 3.05Å; Q122-V126 PolarHBondContact O-N 2.97Å; Q123-V126 PolarHBondContact O-N 3.07Å; V126-H128 VanDerWaalsContact C-N 3.26Å; V126-H128 PolarHBondContact O-N 3.32Å; V126-S129 PolarHBondContact O-OG 3.28Å
127	E	41.4	Very low	48.6	Very low	137 Å²	137	121 Å²	121	64%	0.64	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-13.8	175.7	-75.5	-155.3	123.3	0	0	114.2	N80 Q123	N80-E127 PolarHBondContact ND2-OE2 2.92Å; Q123-E127 PolarHBondContact O-N 3.18Å
128	H	43.3	Very low	48	Very low	157 Å²	157	123.9 Å²	123.9	73%	0.727	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-4.4	-178	-74.4	-54.5	0	0	0	115.4	V126 S130	V126-H128 VanDerWaalsContact C-N 3.26Å; V126-H128 PolarHBondContact O-N 3.32Å; H128-S130 PolarHBondContact O-N 3.22Å
129	S	37.1	Very low	46.6	Very low	86 Å²	86	124 Å²	124	60%	0.601	66%	0.661	S	S	*	*			trans	-89.5	77.2	171.6	51.8	0	0	0	0	110.8	V126	V126-S129 PolarHBondContact O-OG 3.28Å
130	S	37.3	Very low	46.2	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	69%	0.686	S	S	*	*			trans	-62.8	132.7	173.5	-70	0	0	0	0	111.1	H128 T132	H128-S130 PolarHBondContact O-N 3.22Å; S130-T132 PolarHBondContact O-N 2.96Å
131	P	45	Very low	45.4	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	73%	0.725	S	S	*	*			trans	-70.1	122.7	172.1	27.4	-29.7	0	0	0	110
132	T	38.8	Very low	44.7	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	73%	0.73	S	S	*	*			trans	15.3	106.1	150.3	-43.1	0	0	0	0	116.4	S130 T134	S130-T132 PolarHBondContact O-N 2.96Å; T132-T134 PolarHBondContact O-N 3.33Å
133	K	41.3	Very low	44.2	Very low	208 Å²	208	138.9 Å²	138.9	90%	0.904	74%	0.736	S	S	*	*			trans	-60.4	101.3	160.7	-77.8	-178	177.5	177	0	109.1
134	T	49.1	Very low	44	Very low	122 Å²	122	140.6 Å²	140.6	75%	0.748	75%	0.749	S	S	*	*			trans	-63.4	128	161	-46.4	0	0	0	0	108.3	T132 A136	T132-T134 PolarHBondContact O-N 3.33Å; T134-A136 PolarHBondContact O-N 3.17Å; T134-A136 VanDerWaalsContact O-N 3.17Å
135	P	44.6	Very low	43.8	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	76%	0.763	S	S	*	*			trans	-66.9	118	173.9	25.7	-29.8	0	0	0	108.7	N137	P135-N137 PolarHBondContact O-N 3.14Å
136	A	51.1	Low	43.8	Very low	96 Å²	96	140.8 Å²	140.8	79%	0.793	76%	0.762	S	S	*	*			trans	-66.5	97.8	172	0	0	0	0	0	109	T134 K138	T134-A136 PolarHBondContact O-N 3.17Å; T134-A136 VanDerWaalsContact O-N 3.17Å; A136-K138 PolarHBondContact O-N 2.96Å; A136-K138 VanDerWaalsContact O-N 3.14Å
137	N	40.7	Very low	43.6	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	77%	0.774	S	S	*	*			trans	-65	102.5	162.9	-172.4	15.1	0	0	0	108.1	P135	P135-N137 PolarHBondContact O-N 3.14Å
138	K	50.5	Low	43.8	Very low	185 Å²	185	144.3 Å²	144.3	80%	0.804	78%	0.784	S	S	*	*			trans	-107	90.7	164.1	-93.7	-171.6	177.3	-175.6	0	108.6	A136	A136-K138 PolarHBondContact O-N 2.96Å; A136-K138 VanDerWaalsContact O-N 3.14Å
139	I	38.8	Very low	43.8	Very low	132 Å²	132	143.3 Å²	143.3	68%	0.677	79%	0.788	S	S	*	*			trans	-58.5	120.3	145.9	-63.1	164.5	0	0	0	106.6
140	F	54.9	Low	44.4	Very low	176 Å²	176	148.1 Å²	148.1	77%	0.772	80%	0.804	S	S	*	*			trans	-161.1	119	151.3	-96.2	-71.6	0	0	0	110.2
141	H	40.8	Very low	45	Very low	255 Å²	255	151.9 Å²	151.9	100%	1.181	81%	0.81	S	S	*	*			trans	69.9	0	168.1	-85.3	-78.5	0	0	0	120.2

Retrieved 141 of 141 residues in 25.9 ms (Link to these results)

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