A0A077YWR6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 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	37.1	Very low	50.4	Low	215 Å²	215	79.8 Å²	79.8	100%	1.059	40%	0.398	S	S	*	.				0	-45	0	-150	178.3	-75.4	0	0	110.7	F3 A4	M1-F3 PolarHBondContact O-N 3.41Å; M1-A4 PolarHBondContact O-N 3.38Å
2	F	30.6	Very low	51.6	Low	77 Å²	77	83.8 Å²	83.8	34%	0.338	42%	0.415	S	S	.	.	H	α-helix	trans	-44.2	-62.2	171	-171.5	-93.5	0	0	0	113.7	A4 F5 F6 F39 P158	F2-A4 PolarHBondContact O-N 3.42Å; F2-F5 PolarHBondContact O-N 2.97Å; F2-F6 AromaticContact CD1-CD2 3.74Å; F2-F6 HydrophobicContact CD1-CD2 3.74Å; F2-F6 AromaticContact CD1-CE2 3.89Å; F2-F6 HydrophobicContact CD1-CE2 3.89Å; F2-F6 HydrophobicContact CD2-CD2 4.25Å; F2-F6 AromaticContact CD2-CE2 3.68Å; F2-F6 HydrophobicContact CD2-CE2 3.68Å; F2-F6 AromaticContact CE1-CD2 3.66Å; F2-F6 HydrophobicContact CE1-CD2 3.66Å; F2-F6 AromaticContact CE1-CE2 3.58Å; F2-F6 HydrophobicContact CE1-CE2 3.58Å; F2-F6 HydrophobicContact CE1-CZ 4.45Å; F2-F6 HydrophobicContact CE2-CD2 4.2Å; F2-F6 AromaticContact CE2-CE2 3.36Å; F2-F6 HydrophobicContact CE2-CE2 3.36Å; F2-F6 HydrophobicContact CE2-CZ 4.08Å; F2-F6 HydrophobicContact CG-CD2 4.03Å; F2-F6 AromaticContact CG-CE2 3.94Å; F2-F6 HydrophobicContact CG-CE2 3.94Å; F2-F6 AromaticContact CZ-CD2 3.91Å; F2-F6 HydrophobicContact CZ-CD2 3.91Å; F2-F6 AromaticContact CZ-CE2 3.31Å; F2-F6 HydrophobicContact CZ-CE2 3.31Å; F2-F6 AromaticContact CZ-CZ 3.92Å; F2-F6 HydrophobicContact CZ-CZ 3.92Å; F2-F6 WeakPolarHBondContact O-CD2 3.49Å; F2-F6 PolarHBondContact O-N 2.93Å; F2-F39 AromaticContact CE2-CE1 3.95Å; F2-F39 HydrophobicContact CE2-CE1 3.95Å; F2-F39 HydrophobicContact CE2-CZ 4.32Å; F2-F39 AromaticContact CZ-CE1 3.49Å; F2-F39 HydrophobicContact CZ-CE1 3.49Å; F2-F39 VanDerWaalsContact CZ-CE1 3.49Å; F2-F39 AromaticContact CZ-CZ 3.63Å; F2-F39 HydrophobicContact CZ-CZ 3.63Å; F2-P158 HydrophobicContact CE2-CG 4.38Å
3	F	40.1	Very low	52.6	Low	148 Å²	148	78.3 Å²	78.3	65%	0.649	39%	0.388	S	S	*	.	H	α-helix	trans	-58.6	-36.6	-175	-70.8	-76.3	0	0	0	115.3	M1 F5 F6 D7	M1-F3 PolarHBondContact O-N 3.41Å; F3-F5 PolarHBondContact O-N 3.41Å; F3-F6 PolarHBondContact O-N 3.42Å; F3-D7 VanDerWaalsContact O-CG 3.27Å; F3-D7 PolarHBondContact O-N 3.3Å
4	A	44.9	Very low	53.4	Low	67 Å²	67	72.7 Å²	72.7	55%	0.554	36%	0.36	S	S	*	.	H	α-helix	trans	-68.4	-37.2	-176.3	0	0	0	0	0	113.6	M1 F2 D7 E8	M1-A4 PolarHBondContact O-N 3.38Å; F2-A4 PolarHBondContact O-N 3.42Å; A4-D7 PolarHBondContact O-N 3.13Å; A4-E8 PolarHBondContact O-N 3.49Å
5	F	43.3	Very low	54.3	Low	79 Å²	79	73.5 Å²	73.5	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-69.2	-37.7	174.1	177.3	-98.1	0	0	0	111.2	F2 F3 F9 L163	F2-F5 PolarHBondContact O-N 2.97Å; F3-F5 PolarHBondContact O-N 3.41Å; F5-F9 WeakPolarHBondContact O-CB 3.47Å; F5-F9 PolarHBondContact O-N 3.47Å; F5-L163 HydrophobicContact CE1-CB 4.46Å
6	F	53.9	Low	54.8	Low	10 Å²	10	73.3 Å²	73.3	4%	0.044	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-39.3	174.9	-81.4	-72	0	0	0	112	F2 F3 F9 F10 F39 L163	F2-F6 AromaticContact CD1-CD2 3.74Å; F2-F6 HydrophobicContact CD1-CD2 3.74Å; F2-F6 AromaticContact CD1-CE2 3.89Å; F2-F6 HydrophobicContact CD1-CE2 3.89Å; F2-F6 HydrophobicContact CD2-CD2 4.25Å; F2-F6 AromaticContact CD2-CE2 3.68Å; F2-F6 HydrophobicContact CD2-CE2 3.68Å; F2-F6 AromaticContact CE1-CD2 3.66Å; F2-F6 HydrophobicContact CE1-CD2 3.66Å; F2-F6 AromaticContact CE1-CE2 3.58Å; F2-F6 HydrophobicContact CE1-CE2 3.58Å; F2-F6 HydrophobicContact CE1-CZ 4.45Å; F2-F6 HydrophobicContact CE2-CD2 4.2Å; F2-F6 AromaticContact CE2-CE2 3.36Å; F2-F6 HydrophobicContact CE2-CE2 3.36Å; F2-F6 HydrophobicContact CE2-CZ 4.08Å; F2-F6 HydrophobicContact CG-CD2 4.03Å; F2-F6 AromaticContact CG-CE2 3.94Å; F2-F6 HydrophobicContact CG-CE2 3.94Å; F2-F6 AromaticContact CZ-CD2 3.91Å; F2-F6 HydrophobicContact CZ-CD2 3.91Å; F2-F6 AromaticContact CZ-CE2 3.31Å; F2-F6 HydrophobicContact CZ-CE2 3.31Å; F2-F6 AromaticContact CZ-CZ 3.92Å; F2-F6 HydrophobicContact CZ-CZ 3.92Å; F2-F6 WeakPolarHBondContact O-CD2 3.49Å; F2-F6 PolarHBondContact O-N 2.93Å; F3-F6 PolarHBondContact O-N 3.42Å; F6-F9 PolarHBondContact O-N 3.41Å; F6-F10 HydrophobicContact CB-CD2 3.89Å; F6-F10 HydrophobicContact CB-CE2 3.72Å; F6-F10 HydrophobicContact CD1-CD2 4.29Å; F6-F10 AromaticContact CD1-CE2 3.48Å; F6-F10 HydrophobicContact CD1-CE2 3.48Å; F6-F10 VanDerWaalsContact CD1-CE2 3.48Å; F6-F10 AromaticContact CD1-CZ 3.69Å; F6-F10 HydrophobicContact CD1-CZ 3.69Å; F6-F10 HydrophobicContact CE1-CZ 4.36Å; F6-F10 AromaticContact CG-CE2 3.98Å; F6-F10 HydrophobicContact CG-CE2 3.98Å; F6-F10 WeakPolarHBondContact O-CB 3.4Å; F6-F10 WeakPolarHBondContact O-CD2 3.3Å; F6-F10 WeakPolarHBondContact O-CG 3.5Å; F6-F10 PolarHBondContact O-N 2.89Å; F6-F39 HydrophobicContact CE1-CZ 4.06Å; F6-F39 HydrophobicContact CE2-CZ 4.33Å; F6-F39 HydrophobicContact CZ-CE1 4.46Å; F6-F39 HydrophobicContact CZ-CE2 4.48Å; F6-F39 AromaticContact CZ-CZ 3.63Å; F6-F39 HydrophobicContact CZ-CZ 3.63Å; F6-L163 HydrophobicContact CE1-CD2 4.24Å; F6-L163 HydrophobicContact CE2-CD1 4.19Å; F6-L163 HydrophobicContact CZ-CD1 3.88Å; F6-L163 HydrophobicContact CZ-CD2 3.75Å; F6-L163 HydrophobicContact CZ-CG 4.48Å
7	D	55.1	Low	55.3	Low	49 Å²	49	69.1 Å²	69.1	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-48.1	176.7	-71.7	-40.1	0	0	0	110.7	F3 A4 F10 D11 R51	F3-D7 VanDerWaalsContact O-CG 3.27Å; F3-D7 PolarHBondContact O-N 3.3Å; A4-D7 PolarHBondContact O-N 3.13Å; D7-F10 PolarHBondContact O-N 3.16Å; D7-D11 WeakPolarHBondContact O-CB 3.19Å; D7-D11 VanDerWaalsContact O-CG 3.23Å; D7-D11 PolarHBondContact O-N 2.86Å; D7-R51 IonicContact OD1-CZ 3.89Å; D7-R51 IonicContact OD1-NE 3.62Å; D7-R51 IonicContact OD1-NH2 3.2Å; D7-R51 PolarHBondContact OD1-NH2 2.84Å
8	E	62.5	Low	55.8	Low	128 Å²	128	70.3 Å²	70.3	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-44.6	177.5	-171.3	175	-162.8	0	0	112.3	A4 F10 D11 E12	A4-E8 PolarHBondContact O-N 3.49Å; E8-F10 PolarHBondContact O-N 3.15Å; E8-D11 PolarHBondContact O-N 3.29Å; E8-E12 PolarHBondContact O-N 3.15Å
9	F	60.2	Low	56.2	Low	32 Å²	32	75.7 Å²	75.7	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.4	173.4	-101.5	0	0	0	112.2	F5 F6 D11 E12 L13 A167 L170	F5-F9 WeakPolarHBondContact O-CB 3.47Å; F5-F9 PolarHBondContact O-N 3.47Å; F6-F9 PolarHBondContact O-N 3.41Å; F9-D11 VanDerWaalsContact C-N 3.34Å; F9-E12 PolarHBondContact O-N 3.35Å; F9-L13 HydrophobicContact CE1-CD1 4.01Å; F9-L13 HydrophobicContact CE2-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.72Å; F9-L13 VanDerWaalsContact O-CB 3.25Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 PolarHBondContact O-N 2.9Å; F9-A167 HydrophobicContact CD2-CB 4.21Å; F9-A167 HydrophobicContact CE2-CB 4.02Å; F9-L170 HydrophobicContact CZ-CD1 3.96Å
10	F	62.8	Low	56.4	Low	4 Å²	4	75.3 Å²	75.3	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-74	-27	-180	-69.1	-44.8	0	0	0	112.4	F6 D7 E8 L13 S14 C48 I52	F6-F10 HydrophobicContact CB-CD2 3.89Å; F6-F10 HydrophobicContact CB-CE2 3.72Å; F6-F10 HydrophobicContact CD1-CD2 4.29Å; F6-F10 AromaticContact CD1-CE2 3.48Å; F6-F10 HydrophobicContact CD1-CE2 3.48Å; F6-F10 VanDerWaalsContact CD1-CE2 3.48Å; F6-F10 AromaticContact CD1-CZ 3.69Å; F6-F10 HydrophobicContact CD1-CZ 3.69Å; F6-F10 HydrophobicContact CE1-CZ 4.36Å; F6-F10 AromaticContact CG-CE2 3.98Å; F6-F10 HydrophobicContact CG-CE2 3.98Å; F6-F10 WeakPolarHBondContact O-CB 3.4Å; F6-F10 WeakPolarHBondContact O-CD2 3.3Å; F6-F10 WeakPolarHBondContact O-CG 3.5Å; F6-F10 PolarHBondContact O-N 2.89Å; D7-F10 PolarHBondContact O-N 3.16Å; E8-F10 PolarHBondContact O-N 3.15Å; F10-L13 HydrophobicContact CD1-CD2 4.36Å; F10-S14 WeakPolarHBondContact O-CB 3.43Å; F10-S14 PolarHBondContact O-N 3.06Å; F10-C48 HydrophobicContact CZ-CB 4.14Å; F10-I52 HydrophobicContact CB-CG1 4.48Å; F10-I52 HydrophobicContact CD1-CD1 3.66Å; F10-I52 HydrophobicContact CD1-CG1 3.3Å; F10-I52 HydrophobicContact CD2-CG1 4.35Å; F10-I52 HydrophobicContact CE1-CD1 3.26Å; F10-I52 HydrophobicContact CE1-CG1 3.39Å; F10-I52 HydrophobicContact CE2-CG1 4.41Å; F10-I52 HydrophobicContact CG-CG1 3.82Å; F10-I52 HydrophobicContact CZ-CD1 3.91Å; F10-I52 HydrophobicContact CZ-CG1 3.97Å
11	D	63.7	Low	56.4	Low	69 Å²	69	78.4 Å²	78.4	37%	0.369	38%	0.381	S	S	.	.	H	α-helix	trans	-66.4	-47.2	170.2	-77.7	-21.2	0	0	0	111.2	D7 E8 F9 S14 D15 N55 K59	D7-D11 WeakPolarHBondContact O-CB 3.19Å; D7-D11 VanDerWaalsContact O-CG 3.23Å; D7-D11 PolarHBondContact O-N 2.86Å; E8-D11 PolarHBondContact O-N 3.29Å; F9-D11 VanDerWaalsContact C-N 3.34Å; D11-S14 PolarHBondContact O-N 3.36Å; D11-D15 VanDerWaalsContact O-CG 3.32Å; D11-D15 PolarHBondContact O-N 3.47Å; D11-N55 PolarHBondContact OD1-ND2 3.44Å; D11-K59 PolarHBondContact O-NZ 3.5Å; D11-K59 IonicContact OD1-NZ 3.98Å
12	E	65.4	Low	57.4	Low	128 Å²	128	73.9 Å²	73.9	60%	0.598	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-42.9	174.1	-73.3	-170.9	172	0	0	112.1	E8 F9 D15 F16	E8-E12 PolarHBondContact O-N 3.15Å; F9-E12 PolarHBondContact O-N 3.35Å; E12-D15 PolarHBondContact O-N 2.93Å; E12-F16 WeakPolarHBondContact O-CB 3.38Å; E12-F16 PolarHBondContact O-N 3.21Å
13	L	64.2	Low	58.7	Low	12 Å²	12	71.6 Å²	71.6	6%	0.063	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-41	178.2	-167.4	111	0	0	0	111.1	F9 F10 F16 L17 F29 L33 I52	F9-L13 HydrophobicContact CE1-CD1 4.01Å; F9-L13 HydrophobicContact CE2-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.72Å; F9-L13 VanDerWaalsContact O-CB 3.25Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 PolarHBondContact O-N 2.9Å; F10-L13 HydrophobicContact CD1-CD2 4.36Å; L13-F16 PolarHBondContact O-N 3.41Å; L13-L17 HydrophobicContact CD2-CD1 3.57Å; L13-L17 HydrophobicContact CG-CD1 3.97Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 3.36Å; L13-F29 HydrophobicContact CD1-CE1 3.76Å; L13-F29 HydrophobicContact CD1-CZ 3.8Å; L13-F29 HydrophobicContact CD2-CE1 4.22Å; L13-F29 HydrophobicContact CG-CE1 4.1Å; L13-L33 HydrophobicContact CD1-CD2 4.22Å; L13-L33 HydrophobicContact CD2-CD2 3.88Å; L13-I52 HydrophobicContact CD2-CD1 4.41Å; L13-I52 HydrophobicContact CD2-CG2 3.9Å
14	S	64	Low	59.5	Low	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-65	-41.9	175.9	-177	0	0	0	0	110.9	F10 D11 F16 L17 F18 N55 L56 K59	F10-S14 WeakPolarHBondContact O-CB 3.43Å; F10-S14 PolarHBondContact O-N 3.06Å; D11-S14 PolarHBondContact O-N 3.36Å; S14-F16 VanDerWaalsContact C-N 3.32Å; S14-F16 PolarHBondContact O-N 3.46Å; S14-L17 PolarHBondContact O-N 3.07Å; S14-F18 WeakPolarHBondContact O-CB 3.47Å; S14-F18 PolarHBondContact O-N 2.8Å; S14-N55 PolarHBondContact OG-O 3.33Å; S14-L56 WeakPolarHBondContact OG-CD2 3.1Å; S14-K59 WeakPolarHBondContact OG-CD 3.11Å
15	D	66.4	Low	60.3	Low	85 Å²	85	70.6 Å²	70.6	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-38.7	174	-73.2	-20.4	0	0	0	111.9	D11 E12 F19 K59	D11-D15 VanDerWaalsContact O-CG 3.32Å; D11-D15 PolarHBondContact O-N 3.47Å; E12-D15 PolarHBondContact O-N 2.93Å; D15-F19 WeakPolarHBondContact O-CD2 3.19Å; D15-F19 WeakPolarHBondContact O-CE2 3.42Å; D15-K59 WeakPolarHBondContact OD1-CD 3.3Å; D15-K59 IonicContact OD1-NZ 2.66Å; D15-K59 PolarHBondContact OD1-NZ 2.8Å; D15-K59 IonicContact OD2-NZ 3.51Å
16	F	63.2	Low	61.2	Low	69 Å²	69	67 Å²	67	30%	0.303	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-45.7	175.8	-179.9	-105.3	0	0	0	112.1	E12 L13 S14 F18 F19 F20 A174	E12-F16 WeakPolarHBondContact O-CB 3.38Å; E12-F16 PolarHBondContact O-N 3.21Å; L13-F16 PolarHBondContact O-N 3.41Å; S14-F16 VanDerWaalsContact C-N 3.32Å; S14-F16 PolarHBondContact O-N 3.46Å; F16-F18 VanDerWaalsContact C-N 3.28Å; F16-F18 PolarHBondContact O-N 2.97Å; F16-F19 WeakPolarHBondContact O-CB 3.34Å; F16-F19 PolarHBondContact O-N 2.81Å; F16-F19 VanDerWaalsContact O-N 3.17Å; F16-F20 AromaticContact CD1-CE2 3.67Å; F16-F20 HydrophobicContact CD1-CE2 3.67Å; F16-F20 HydrophobicContact CD1-CZ 4.46Å; F16-F20 HydrophobicContact CD2-CE2 4.48Å; F16-F20 HydrophobicContact CE1-CD2 4.37Å; F16-F20 AromaticContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CE2 3.22Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE2-CE2 4.1Å; F16-F20 HydrophobicContact CE2-CZ 4.43Å; F16-F20 HydrophobicContact CG-CE2 4.29Å; F16-F20 AromaticContact CZ-CE2 3.46Å; F16-F20 HydrophobicContact CZ-CE2 3.46Å; F16-F20 VanDerWaalsContact CZ-CE2 3.46Å; F16-F20 AromaticContact CZ-CZ 3.56Å; F16-F20 HydrophobicContact CZ-CZ 3.56Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; F16-A174 HydrophobicContact CE1-CB 3.86Å; F16-A174 HydrophobicContact CE2-CB 4.07Å; F16-A174 HydrophobicContact CZ-CB 3.53Å
17	L	63.3	Low	61.5	Low	2 Å²	2	68 Å²	68	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-67.6	-29.3	-179.7	-75.4	171.9	0	0	0	112.5	L13 S14 F19 F20 I26 F29 F30 L56	L13-L17 HydrophobicContact CD2-CD1 3.57Å; L13-L17 HydrophobicContact CG-CD1 3.97Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 3.36Å; S14-L17 PolarHBondContact O-N 3.07Å; L17-F19 PolarHBondContact O-N 3.25Å; L17-F19 VanDerWaalsContact O-N 3.17Å; L17-F20 HydrophobicContact CD2-CD2 4.42Å; L17-F20 PolarHBondContact O-N 3.26Å; L17-I26 HydrophobicContact CD2-CG1 4.24Å; L17-F29 HydrophobicContact CD1-CD1 4.24Å; L17-F29 HydrophobicContact CD1-CE1 4.16Å; L17-F29 HydrophobicContact CD2-CD1 3.61Å; L17-F29 HydrophobicContact CD2-CE1 3.96Å; L17-F29 HydrophobicContact CD2-CG 4.19Å; L17-F29 HydrophobicContact CG-CD1 4.36Å; L17-F29 HydrophobicContact CG-CE1 4.3Å; L17-F30 HydrophobicContact CD1-CD2 4.49Å; L17-F30 HydrophobicContact CD1-CE1 4.3Å; L17-F30 HydrophobicContact CD1-CE2 3.59Å; L17-F30 HydrophobicContact CD1-CZ 3.45Å; L17-F30 VanDerWaalsContact CD1-CZ 3.45Å; L17-L56 HydrophobicContact CB-CD2 3.84Å; L17-L56 HydrophobicContact CD1-CD1 4.17Å
18	F	63.7	Low	61.8	Low	91 Å²	91	69.5 Å²	69.5	40%	0.399	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.8	172.8	-172.6	-94.6	0	0	0	112.9	S14 F16 F20 K59	S14-F18 WeakPolarHBondContact O-CB 3.47Å; S14-F18 PolarHBondContact O-N 2.8Å; F16-F18 VanDerWaalsContact C-N 3.28Å; F16-F18 PolarHBondContact O-N 2.97Å; F18-F20 VanDerWaalsContact C-N 3.33Å; F18-K59 WeakPolarHBondContact CE2-O 3.41Å
19	F	63.2	Low	61.9	Low	173 Å²	173	65.6 Å²	65.6	76%	0.759	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	175.1	-73.2	-79.9	0	0	0	114.2	D15 F16 L17 D21	D15-F19 WeakPolarHBondContact O-CD2 3.19Å; D15-F19 WeakPolarHBondContact O-CE2 3.42Å; F16-F19 WeakPolarHBondContact O-CB 3.34Å; F16-F19 PolarHBondContact O-N 2.81Å; F16-F19 VanDerWaalsContact O-N 3.17Å; L17-F19 PolarHBondContact O-N 3.25Å; L17-F19 VanDerWaalsContact O-N 3.17Å; F19-D21 PolarHBondContact O-N 3.04Å
20	F	61.4	Low	62.3	Low	68 Å²	68	64.1 Å²	64.1	30%	0.298	32%	0.315	S	S	.	.			trans	-86.6	109.5	177.2	-68.2	-95.8	0	0	0	109.4	F16 L17 F18 E22 A25 I26	F16-F20 AromaticContact CD1-CE2 3.67Å; F16-F20 HydrophobicContact CD1-CE2 3.67Å; F16-F20 HydrophobicContact CD1-CZ 4.46Å; F16-F20 HydrophobicContact CD2-CE2 4.48Å; F16-F20 HydrophobicContact CE1-CD2 4.37Å; F16-F20 AromaticContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CE2 3.22Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE2-CE2 4.1Å; F16-F20 HydrophobicContact CE2-CZ 4.43Å; F16-F20 HydrophobicContact CG-CE2 4.29Å; F16-F20 AromaticContact CZ-CE2 3.46Å; F16-F20 HydrophobicContact CZ-CE2 3.46Å; F16-F20 VanDerWaalsContact CZ-CE2 3.46Å; F16-F20 AromaticContact CZ-CZ 3.56Å; F16-F20 HydrophobicContact CZ-CZ 3.56Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; L17-F20 HydrophobicContact CD2-CD2 4.42Å; L17-F20 PolarHBondContact O-N 3.26Å; F18-F20 VanDerWaalsContact C-N 3.33Å; F20-E22 PolarHBondContact O-N 3.18Å; F20-A25 HydrophobicContact CD1-CB 4.32Å; F20-I26 HydrophobicContact CB-CD1 4.05Å; F20-I26 HydrophobicContact CB-CG1 3.78Å; F20-I26 WeakPolarHBondContact O-CD1 3.49Å
21	D	54.8	Low	62.3	Low	140 Å²	140	64.4 Å²	64.4	75%	0.749	32%	0.318	S	S	*	.			trans	-76	-12.2	176.6	-136.3	-1.2	0	0	0	111.8	F19 R63	F19-D21 PolarHBondContact O-N 3.04Å; D21-R63 IonicContact OD1-NH1 3.7Å
22	E	59.8	Low	62.5	Low	120 Å²	120	64.1 Å²	64.1	56%	0.561	31%	0.314	S	S	*	.			trans	-99	105.4	-175	-66	-175.5	178.5	0	0	111.5	F20 E24 A25 I26	F20-E22 PolarHBondContact O-N 3.18Å; E22-E24 PolarHBondContact O-N 3.21Å; E22-E24 VanDerWaalsContact O-N 3.15Å; E22-A25 HydrophobicContact CB-CB 4.11Å; E22-A25 PolarHBondContact O-N 3.46Å; E22-I26 PolarHBondContact O-N 3.37Å
23	G	57.5	Low	62.6	Low	29 Å²	29	58.2 Å²	58.2	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-56.1	-28.9	176.9	0	0	0	0	0	114.1	N27	G23-N27 WeakPolarHBondContact O-CB 3.28Å; G23-N27 VanDerWaalsContact O-CG 3.23Å; G23-N27 PolarHBondContact O-N 3.09Å; G23-N27 PolarHBondContact O-ND2 3.43Å
24	E	56.9	Low	62.7	Low	169 Å²	169	57.7 Å²	57.7	79%	0.79	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-42.1	174.9	-70.8	-171.8	177	0	0	112.7	E22 I26 N27 F28	E22-E24 PolarHBondContact O-N 3.21Å; E22-E24 VanDerWaalsContact O-N 3.15Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 3.34Å; E24-N27 PolarHBondContact O-N 3.04Å; E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.43Å
25	A	61.3	Low	62.8	Low	26 Å²	26	63.1 Å²	63.1	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-38.1	178.2	0	0	0	0	0	111	F20 E22 F29	F20-A25 HydrophobicContact CD1-CB 4.32Å; E22-A25 HydrophobicContact CB-CB 4.11Å; E22-A25 PolarHBondContact O-N 3.46Å; A25-F29 VanDerWaalsContact O-CB 3.28Å; A25-F29 WeakPolarHBondContact O-CB 3.33Å; A25-F29 PolarHBondContact O-N 2.92Å
26	I	62.2	Low	62.9	Low	3 Å²	3	63.5 Å²	63.5	2%	0.015	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-54.2	173.9	-68	176	0	0	0	110.1	L17 F20 E22 E24 F28 F29 F30 F65 F67	L17-I26 HydrophobicContact CD2-CG1 4.24Å; F20-I26 HydrophobicContact CB-CD1 4.05Å; F20-I26 HydrophobicContact CB-CG1 3.78Å; F20-I26 WeakPolarHBondContact O-CD1 3.49Å; E22-I26 PolarHBondContact O-N 3.37Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 3.34Å; I26-F28 VanDerWaalsContact C-N 3.27Å; I26-F28 PolarHBondContact O-N 2.87Å; I26-F29 PolarHBondContact O-N 3.18Å; I26-F29 VanDerWaalsContact O-N 3.15Å; I26-F30 HydrophobicContact CG2-CD2 3.44Å; I26-F30 VanDerWaalsContact CG2-CD2 3.44Å; I26-F30 HydrophobicContact CG2-CE2 3.34Å; I26-F30 WeakPolarHBondContact O-CD2 3.12Å; I26-F30 PolarHBondContact O-N 3.03Å; I26-F65 HydrophobicContact CD1-CD1 3.9Å; I26-F65 HydrophobicContact CD1-CE1 3.4Å; I26-F65 VanDerWaalsContact CD1-CE1 3.4Å; I26-F65 HydrophobicContact CD1-CZ 4.4Å; I26-F67 HydrophobicContact CG2-CD2 4.42Å
27	N	59.3	Low	63	Low	31 Å²	31	60.9 Å²	60.9	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-41.5	179.2	-72	-27.5	0	0	0	112.1	G23 E24 F30 C31 F67 D68	G23-N27 WeakPolarHBondContact O-CB 3.28Å; G23-N27 VanDerWaalsContact O-CG 3.23Å; G23-N27 PolarHBondContact O-N 3.09Å; G23-N27 PolarHBondContact O-ND2 3.43Å; E24-N27 PolarHBondContact O-N 3.04Å; N27-F30 PolarHBondContact O-N 2.97Å; N27-C31 PolarHBondContact O-N 3.35Å; N27-C31 PolarHBondContact O-SG 2.8Å; N27-F67 WeakPolarHBondContact OD1-CD2 3.16Å; N27-F67 WeakPolarHBondContact OD1-CE2 3.28Å; N27-D68 PolarHBondContact OD1-N 2.87Å
28	F	62.9	Low	62.7	Low	80 Å²	80	62.9 Å²	62.9	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-48.7	176.4	-175.3	-92.9	0	0	0	111.9	E24 I26 F30 C31 E32 L187	E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.43Å; I26-F28 VanDerWaalsContact C-N 3.27Å; I26-F28 PolarHBondContact O-N 2.87Å; F28-F30 VanDerWaalsContact C-N 3.26Å; F28-F30 PolarHBondContact O-N 3.17Å; F28-C31 WeakPolarHBondContact O-CB 3.42Å; F28-C31 PolarHBondContact O-N 3.15Å; F28-E32 HydrophobicContact CD1-CG 4.22Å; F28-E32 HydrophobicContact CE1-CG 3.61Å; F28-E32 HydrophobicContact CZ-CG 3.8Å; F28-E32 WeakPolarHBondContact CZ-OE1 3.23Å; F28-E32 PolarHBondContact O-N 3.49Å; F28-E32 VanDerWaalsContact O-N 3.09Å; F28-L187 HydrophobicContact CE1-CD1 4.06Å; F28-L187 HydrophobicContact CE2-CD1 4.36Å; F28-L187 HydrophobicContact CZ-CD1 3.42Å; F28-L187 VanDerWaalsContact CZ-CD1 3.42Å
29	F	64.3	Low	62.7	Low	46 Å²	46	59.2 Å²	59.2	20%	0.202	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-39.8	177	177.1	-93.1	0	0	0	112	L13 L17 A25 I26 E32 L33	L13-F29 HydrophobicContact CD1-CE1 3.76Å; L13-F29 HydrophobicContact CD1-CZ 3.8Å; L13-F29 HydrophobicContact CD2-CE1 4.22Å; L13-F29 HydrophobicContact CG-CE1 4.1Å; L17-F29 HydrophobicContact CD1-CD1 4.24Å; L17-F29 HydrophobicContact CD1-CE1 4.16Å; L17-F29 HydrophobicContact CD2-CD1 3.61Å; L17-F29 HydrophobicContact CD2-CE1 3.96Å; L17-F29 HydrophobicContact CD2-CG 4.19Å; L17-F29 HydrophobicContact CG-CD1 4.36Å; L17-F29 HydrophobicContact CG-CE1 4.3Å; A25-F29 VanDerWaalsContact O-CB 3.28Å; A25-F29 WeakPolarHBondContact O-CB 3.33Å; A25-F29 PolarHBondContact O-N 2.92Å; I26-F29 PolarHBondContact O-N 3.18Å; I26-F29 VanDerWaalsContact O-N 3.15Å; F29-E32 PolarHBondContact O-N 3.07Å; F29-L33 HydrophobicContact CE1-CD2 4.3Å; F29-L33 VanDerWaalsContact O-CB 3.28Å; F29-L33 WeakPolarHBondContact O-CB 3.28Å; F29-L33 PolarHBondContact O-N 3.27Å
30	F	67.2	Low	62.1	Low	1 Å²	1	59 Å²	59	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-44.6	175.4	-87.2	-72.7	0	0	0	112.5	L17 I26 N27 F28 E32 L33 L34 L49 I52 L56 F67	L17-F30 HydrophobicContact CD1-CD2 4.49Å; L17-F30 HydrophobicContact CD1-CE1 4.3Å; L17-F30 HydrophobicContact CD1-CE2 3.59Å; L17-F30 HydrophobicContact CD1-CZ 3.45Å; L17-F30 VanDerWaalsContact CD1-CZ 3.45Å; I26-F30 HydrophobicContact CG2-CD2 3.44Å; I26-F30 VanDerWaalsContact CG2-CD2 3.44Å; I26-F30 HydrophobicContact CG2-CE2 3.34Å; I26-F30 WeakPolarHBondContact O-CD2 3.12Å; I26-F30 PolarHBondContact O-N 3.03Å; N27-F30 PolarHBondContact O-N 2.97Å; F28-F30 VanDerWaalsContact C-N 3.26Å; F28-F30 PolarHBondContact O-N 3.17Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 2.81Å; F30-L33 HydrophobicContact CD1-CD2 4.43Å; F30-L33 PolarHBondContact O-N 3.39Å; F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 WeakPolarHBondContact O-CD1 3.45Å; F30-L34 WeakPolarHBondContact O-CG 3.36Å; F30-L34 PolarHBondContact O-N 3.17Å; F30-L49 HydrophobicContact CD1-CD2 3.86Å; F30-I52 HydrophobicContact CD1-CD1 4.34Å; F30-I52 HydrophobicContact CE1-CB 3.73Å; F30-I52 HydrophobicContact CE1-CD1 3.68Å; F30-I52 HydrophobicContact CE1-CG1 4.29Å; F30-I52 HydrophobicContact CE1-CG2 3.42Å; F30-I52 VanDerWaalsContact CE1-CG2 3.42Å; F30-I52 HydrophobicContact CZ-CB 4.09Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; F30-L56 HydrophobicContact CE2-CD1 3.68Å; F30-L56 HydrophobicContact CZ-CD1 3.54Å; F30-F67 HydrophobicContact CB-CE2 3.94Å; F30-F67 HydrophobicContact CB-CZ 4.03Å; F30-F67 HydrophobicContact CD1-CE2 4.44Å; F30-F67 HydrophobicContact CD1-CZ 4.46Å; F30-F67 HydrophobicContact CD2-CD2 4.17Å; F30-F67 AromaticContact CD2-CE2 3.32Å; F30-F67 HydrophobicContact CD2-CE2 3.32Å; F30-F67 HydrophobicContact CD2-CZ 4.09Å; F30-F67 HydrophobicContact CE2-CD2 4.36Å; F30-F67 AromaticContact CE2-CE2 3.84Å; F30-F67 HydrophobicContact CE2-CE2 3.84Å; F30-F67 AromaticContact CG-CE2 3.66Å; F30-F67 HydrophobicContact CG-CE2 3.66Å; F30-F67 AromaticContact CG-CZ 3.96Å; F30-F67 HydrophobicContact CG-CZ 3.96Å
31	C	62.8	Low	61.9	Low	10 Å²	10	59.8 Å²	59.8	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-49.9	175.6	-67.4	0	0	0	0	111.2	N27 F28 L34 E35	N27-C31 PolarHBondContact O-N 3.35Å; N27-C31 PolarHBondContact O-SG 2.8Å; F28-C31 WeakPolarHBondContact O-CB 3.42Å; F28-C31 PolarHBondContact O-N 3.15Å; C31-L34 PolarHBondContact O-N 3.43Å; C31-E35 PolarHBondContact O-N 2.93Å; C31-E35 VanDerWaalsContact O-N 3.13Å
32	E	68.6	Low	62.1	Low	64 Å²	64	55.9 Å²	55.9	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-44.4	177.4	-71.7	-72.2	155.2	0	0	112.2	F28 F29 F30 L34 E35 E36	F28-E32 HydrophobicContact CD1-CG 4.22Å; F28-E32 HydrophobicContact CE1-CG 3.61Å; F28-E32 HydrophobicContact CZ-CG 3.8Å; F28-E32 WeakPolarHBondContact CZ-OE1 3.23Å; F28-E32 PolarHBondContact O-N 3.49Å; F28-E32 VanDerWaalsContact O-N 3.09Å; F29-E32 PolarHBondContact O-N 3.07Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 2.81Å; E32-L34 PolarHBondContact O-N 3.31Å; E32-E35 PolarHBondContact O-N 3.43Å; E32-E36 PolarHBondContact O-N 3.35Å; E32-E36 VanDerWaalsContact O-N 3.11Å
33	L	68.5	Low	61.9	Low	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-41.5	177.3	-177.3	67.1	0	0	0	111.1	L13 F29 F30 E36 L37 I52 L170	L13-L33 HydrophobicContact CD1-CD2 4.22Å; L13-L33 HydrophobicContact CD2-CD2 3.88Å; F29-L33 HydrophobicContact CE1-CD2 4.3Å; F29-L33 VanDerWaalsContact O-CB 3.28Å; F29-L33 WeakPolarHBondContact O-CB 3.28Å; F29-L33 PolarHBondContact O-N 3.27Å; F30-L33 HydrophobicContact CD1-CD2 4.43Å; F30-L33 PolarHBondContact O-N 3.39Å; L33-E36 PolarHBondContact O-N 2.88Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.91Å; L33-I52 HydrophobicContact CD2-CD1 4.08Å; L33-L170 HydrophobicContact CD1-CD1 3.34Å; L33-L170 HydrophobicContact CD1-CD2 3.86Å; L33-L170 HydrophobicContact CD1-CG 4.25Å
34	L	64.9	Low	61.8	Low	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-72.7	-30.8	-177.8	-67.2	155.2	0	0	0	114	F30 C31 E32 E36 L37 R45 L49 L76	F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 WeakPolarHBondContact O-CD1 3.45Å; F30-L34 WeakPolarHBondContact O-CG 3.36Å; F30-L34 PolarHBondContact O-N 3.17Å; C31-L34 PolarHBondContact O-N 3.43Å; E32-L34 PolarHBondContact O-N 3.31Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-R45 HydrophobicContact CD2-CB 4.28Å; L34-R45 PolarHBondContact O-NH1 2.52Å; L34-L49 HydrophobicContact CD1-CD1 3.56Å; L34-L49 HydrophobicContact CD1-CD2 3.46Å; L34-L49 VanDerWaalsContact CD1-CD2 3.46Å; L34-L49 HydrophobicContact CD1-CG 3.79Å; L34-L49 HydrophobicContact CD2-CD1 3.7Å; L34-L49 HydrophobicContact CD2-CD2 3.66Å; L34-L49 HydrophobicContact CD2-CG 3.34Å; L34-L49 HydrophobicContact CG-CD1 4.19Å; L34-L49 HydrophobicContact CG-CD2 3.84Å; L34-L49 HydrophobicContact CG-CG 4.02Å; L34-L76 HydrophobicContact CB-CD1 4.07Å; L34-L76 HydrophobicContact CB-CD2 3.63Å; L34-L76 HydrophobicContact CB-CG 4.17Å; L34-L76 HydrophobicContact CD1-CD1 3.64Å; L34-L76 HydrophobicContact CD1-CG 4.17Å; L34-L76 HydrophobicContact CD2-CD1 4.09Å; L34-L76 HydrophobicContact CG-CD1 4.14Å
35	E	66.2	Low	62.1	Low	114 Å²	114	50 Å²	50	53%	0.533	26%	0.257	S	S	.	.	H	α-helix	trans	-70.4	-34.7	173.9	-72.1	-174.9	-170	0	0	111.1	C31 E32	C31-E35 PolarHBondContact O-N 2.93Å; C31-E35 VanDerWaalsContact O-N 3.13Å; E32-E35 PolarHBondContact O-N 3.43Å
36	E	68	Low	62.1	Low	93 Å²	93	49.1 Å²	49.1	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-83.5	-14.6	179.5	-73.5	-72.8	142.9	0	0	113.9	E32 L33 L34 L166	E32-E36 PolarHBondContact O-N 3.35Å; E32-E36 VanDerWaalsContact O-N 3.11Å; L33-E36 PolarHBondContact O-N 2.88Å; L34-E36 VanDerWaalsContact C-N 3.32Å; E36-L166 HydrophobicContact CB-CD2 3.73Å; E36-L166 HydrophobicContact CG-CD2 4.5Å; E36-L166 WeakPolarHBondContact O-CD1 3.33Å; E36-L166 VanDerWaalsContact O-CD2 3.3Å; E36-L166 WeakPolarHBondContact O-CD2 3.45Å; E36-L166 WeakPolarHBondContact OE2-CD2 3.12Å
37	L	65.4	Low	62.1	Low	14 Å²	14	51.7 Å²	51.7	7%	0.073	27%	0.265	C	S	.	.	S	Bend	trans	-65.4	133.4	177.1	-80.4	173.2	0	0	0	111.1	L33 L34 F39 C48	L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.91Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L37-F39 HydrophobicContact CB-CD2 3.75Å; L37-F39 HydrophobicContact CB-CE2 4.16Å; L37-F39 HydrophobicContact CD1-CD2 4.01Å; L37-F39 HydrophobicContact CD1-CE2 4Å; L37-F39 HydrophobicContact CD2-CD2 4.31Å; L37-F39 HydrophobicContact CD2-CE2 3.83Å; L37-F39 HydrophobicContact CG-CD2 4.23Å; L37-F39 HydrophobicContact CG-CE2 4.21Å; L37-F39 PolarHBondContact O-N 2.93Å; L37-C48 HydrophobicContact CD1-CB 4.28Å
38	P	58.9	Low	62.4	Low	44 Å²	44	50.8 Å²	50.8	29%	0.286	26%	0.261	S	S	.	.			trans	-79.1	28	-174.2	36.2	-36.4	0	0	0	112.4	P158 L163 L166	P38-P158 HydrophobicContact CB-CB 4.15Å; P38-P158 HydrophobicContact CG-CB 3.92Å; P38-P158 HydrophobicContact CG-CG 4.47Å; P38-L163 HydrophobicContact CG-CD2 3.61Å; P38-L163 HydrophobicContact CG-CG 4.17Å; P38-L166 HydrophobicContact CB-CD1 4.5Å; P38-L166 HydrophobicContact CG-CD1 4.14Å
39	F	63.3	Low	62.6	Low	15 Å²	15	47 Å²	47	7%	0.066	25%	0.245	C	C	.	.			trans	-93.7	117.4	179.7	-59.1	-50.7	0	0	0	109.8	F2 F6 L37 N41 A44 R45 C48 P158	F2-F39 AromaticContact CE2-CE1 3.95Å; F2-F39 HydrophobicContact CE2-CE1 3.95Å; F2-F39 HydrophobicContact CE2-CZ 4.32Å; F2-F39 AromaticContact CZ-CE1 3.49Å; F2-F39 HydrophobicContact CZ-CE1 3.49Å; F2-F39 VanDerWaalsContact CZ-CE1 3.49Å; F2-F39 AromaticContact CZ-CZ 3.63Å; F2-F39 HydrophobicContact CZ-CZ 3.63Å; F6-F39 HydrophobicContact CE1-CZ 4.06Å; F6-F39 HydrophobicContact CE2-CZ 4.33Å; F6-F39 HydrophobicContact CZ-CE1 4.46Å; F6-F39 HydrophobicContact CZ-CE2 4.48Å; F6-F39 AromaticContact CZ-CZ 3.63Å; F6-F39 HydrophobicContact CZ-CZ 3.63Å; L37-F39 HydrophobicContact CB-CD2 3.75Å; L37-F39 HydrophobicContact CB-CE2 4.16Å; L37-F39 HydrophobicContact CD1-CD2 4.01Å; L37-F39 HydrophobicContact CD1-CE2 4Å; L37-F39 HydrophobicContact CD2-CD2 4.31Å; L37-F39 HydrophobicContact CD2-CE2 3.83Å; L37-F39 HydrophobicContact CG-CD2 4.23Å; L37-F39 HydrophobicContact CG-CE2 4.21Å; L37-F39 PolarHBondContact O-N 2.93Å; F39-N41 VanDerWaalsContact C-N 3.28Å; F39-A44 HydrophobicContact CB-CB 3.94Å; F39-A44 HydrophobicContact CD1-CB 4.09Å; F39-A44 HydrophobicContact CD2-CB 4.34Å; F39-A44 HydrophobicContact CG-CB 3.86Å; F39-R45 HydrophobicContact CB-CG 3.87Å; F39-R45 HydrophobicContact CD2-CG 4.4Å; F39-R45 VanDerWaalsContact O-CZ 3.28Å; F39-R45 PolarHBondContact O-NE 2.8Å; F39-R45 PolarHBondContact O-NH2 3.12Å; F39-C48 VanDerWaalsContact CE2-SG 3.5Å; F39-P158 HydrophobicContact CE1-CG 4.44Å
40	D	51	Low	62.7	Low	167 Å²	167	47.3 Å²	47.3	89%	0.893	25%	0.248	S	C	*	.			trans	-73.8	-25.1	172.5	-64.6	-29.2	0	0	0	111.6
41	N	57.2	Low	62.6	Low	85 Å²	85	53.1 Å²	53.1	46%	0.455	27%	0.27	S	S	.	.			trans	-90.1	125	-178.5	-171.2	-14.4	0	0	0	111.8	F39 F43 A44 R45	F39-N41 VanDerWaalsContact C-N 3.28Å; N41-F43 PolarHBondContact O-N 3.42Å; N41-F43 VanDerWaalsContact OD1-CB 3.29Å; N41-F43 WeakPolarHBondContact OD1-CB 3.34Å; N41-F43 PolarHBondContact OD1-N 3.46Å; N41-A44 HydrophobicContact CB-CB 4.38Å; N41-A44 PolarHBondContact O-N 2.87Å; N41-A44 VanDerWaalsContact O-N 3.16Å; N41-R45 PolarHBondContact O-N 3.34Å
42	C	58.8	Low	62.9	Low	58 Å²	58	52.7 Å²	52.7	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-57.2	-35	174.2	61	0	0	0	0	112.6	A44 R45 S46	C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 3.35Å; C42-R45 PolarHBondContact O-N 3.23Å; C42-S46 PolarHBondContact O-N 3.37Å; C42-S46 PolarHBondContact O-OG 3.13Å; C42-S46 VanDerWaalsContact O-OG 3.05Å
43	F	54.2	Low	62.8	Low	108 Å²	108	50.5 Å²	50.5	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-41	177.5	-175.3	-94.5	0	0	0	112.2	N41 S46 T47 L90	N41-F43 PolarHBondContact O-N 3.42Å; N41-F43 VanDerWaalsContact OD1-CB 3.29Å; N41-F43 WeakPolarHBondContact OD1-CB 3.34Å; N41-F43 PolarHBondContact OD1-N 3.46Å; F43-S46 PolarHBondContact O-N 3.24Å; F43-T47 VanDerWaalsContact O-CB 3.29Å; F43-T47 WeakPolarHBondContact O-CB 3.44Å; F43-T47 PolarHBondContact O-N 3.47Å; F43-T47 PolarHBondContact O-OG1 3.07Å; F43-L90 HydrophobicContact CD2-CD1 3.8Å; F43-L90 HydrophobicContact CD2-CG 4.42Å; F43-L90 HydrophobicContact CE2-CD1 4.32Å; F43-L90 HydrophobicContact CE2-CG 4.47Å
44	A	55.8	Low	62.7	Low	28 Å²	28	52.3 Å²	52.3	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-41.8	176.8	0	0	0	0	0	110.9	F39 N41 C42 T47 C48	F39-A44 HydrophobicContact CB-CB 3.94Å; F39-A44 HydrophobicContact CD1-CB 4.09Å; F39-A44 HydrophobicContact CD2-CB 4.34Å; F39-A44 HydrophobicContact CG-CB 3.86Å; N41-A44 HydrophobicContact CB-CB 4.38Å; N41-A44 PolarHBondContact O-N 2.87Å; N41-A44 VanDerWaalsContact O-N 3.16Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 3.35Å; A44-T47 PolarHBondContact O-N 3.39Å; A44-C48 WeakPolarHBondContact O-CB 3.33Å; A44-C48 PolarHBondContact O-N 3.25Å; A44-C48 PolarHBondContact O-SG 2.93Å; A44-C48 VanDerWaalsContact O-SG 3.34Å
45	R	63.3	Low	62.7	Low	59 Å²	59	53 Å²	53	22%	0.223	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-47.3	175.3	-63	-171.7	-170	-162.8	0.4	112.2	L34 F39 N41 C42 T47 C48 L49	L34-R45 HydrophobicContact CD2-CB 4.28Å; L34-R45 PolarHBondContact O-NH1 2.52Å; F39-R45 HydrophobicContact CB-CG 3.87Å; F39-R45 HydrophobicContact CD2-CG 4.4Å; F39-R45 VanDerWaalsContact O-CZ 3.28Å; F39-R45 PolarHBondContact O-NE 2.8Å; F39-R45 PolarHBondContact O-NH2 3.12Å; N41-R45 PolarHBondContact O-N 3.34Å; C42-R45 PolarHBondContact O-N 3.23Å; R45-T47 PolarHBondContact O-N 3.41Å; R45-C48 PolarHBondContact O-N 3.41Å; R45-L49 PolarHBondContact O-N 3.26Å
46	S	60.9	Low	62.4	Low	7 Å²	7	48 Å²	48	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-36.4	179.4	-56	0	0	0	0	112.5	C42 F43 L49 L50	C42-S46 PolarHBondContact O-N 3.37Å; C42-S46 PolarHBondContact O-OG 3.13Å; C42-S46 VanDerWaalsContact O-OG 3.05Å; F43-S46 PolarHBondContact O-N 3.24Å; S46-L49 WeakPolarHBondContact O-CB 3.32Å; S46-L49 PolarHBondContact O-N 3.13Å; S46-L50 WeakPolarHBondContact O-CG 3.45Å; S46-L50 PolarHBondContact O-N 3.12Å
47	T	63.7	Low	62.2	Low	57 Å²	57	47.9 Å²	47.9	35%	0.35	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-42.2	175.1	-57.3	0	0	0	0	111.2	F43 A44 R45 L49 L50 R51	F43-T47 VanDerWaalsContact O-CB 3.29Å; F43-T47 WeakPolarHBondContact O-CB 3.44Å; F43-T47 PolarHBondContact O-N 3.47Å; F43-T47 PolarHBondContact O-OG1 3.07Å; A44-T47 PolarHBondContact O-N 3.39Å; R45-T47 PolarHBondContact O-N 3.41Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.3Å; T47-L50 PolarHBondContact O-N 3.38Å; T47-R51 WeakPolarHBondContact O-CB 3.25Å; T47-R51 PolarHBondContact O-N 3.12Å
48	C	65.2	Low	62.2	Low	13 Å²	13	53 Å²	53	9%	0.088	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-43.7	172.3	-73.8	0	0	0	0	111.4	F10 L37 F39 A44 R45 R51 I52	F10-C48 HydrophobicContact CZ-CB 4.14Å; L37-C48 HydrophobicContact CD1-CB 4.28Å; F39-C48 VanDerWaalsContact CE2-SG 3.5Å; A44-C48 WeakPolarHBondContact O-CB 3.33Å; A44-C48 PolarHBondContact O-N 3.25Å; A44-C48 PolarHBondContact O-SG 2.93Å; A44-C48 VanDerWaalsContact O-SG 3.34Å; R45-C48 PolarHBondContact O-N 3.41Å; C48-R51 PolarHBondContact O-N 2.9Å; C48-I52 WeakPolarHBondContact O-CD1 3.2Å; C48-I52 VanDerWaalsContact O-CG1 3.23Å; C48-I52 WeakPolarHBondContact O-CG1 3.18Å; C48-I52 PolarHBondContact O-N 2.8Å
49	L	66.6	Low	62.2	Low	1 Å²	1	54 Å²	54	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-58.1	-50.9	175.9	-82.2	170.3	0	0	0	113.2	F30 L34 R45 S46 T47 R51 I52 A53 F67 L69 L73 L76	F30-L49 HydrophobicContact CD1-CD2 3.86Å; L34-L49 HydrophobicContact CD1-CD1 3.56Å; L34-L49 HydrophobicContact CD1-CD2 3.46Å; L34-L49 VanDerWaalsContact CD1-CD2 3.46Å; L34-L49 HydrophobicContact CD1-CG 3.79Å; L34-L49 HydrophobicContact CD2-CD1 3.7Å; L34-L49 HydrophobicContact CD2-CD2 3.66Å; L34-L49 HydrophobicContact CD2-CG 3.34Å; L34-L49 HydrophobicContact CG-CD1 4.19Å; L34-L49 HydrophobicContact CG-CD2 3.84Å; L34-L49 HydrophobicContact CG-CG 4.02Å; R45-L49 PolarHBondContact O-N 3.26Å; S46-L49 WeakPolarHBondContact O-CB 3.32Å; S46-L49 PolarHBondContact O-N 3.13Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.3Å; L49-R51 PolarHBondContact O-N 3.25Å; L49-I52 PolarHBondContact O-N 2.95Å; L49-A53 VanDerWaalsContact O-CB 3.31Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 3.36Å; L49-F67 HydrophobicContact CD2-CZ 4.24Å; L49-L69 HydrophobicContact CB-CD1 4.18Å; L49-L73 HydrophobicContact CD1-CD2 3.9Å; L49-L76 HydrophobicContact CD1-CD1 3.92Å
50	L	66.7	Low	61.9	Low	51 Å²	51	54 Å²	54	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-37.3	-179.4	-72.3	172.3	0	0	0	110.9	S46 T47 S54 L69 L90	S46-L50 WeakPolarHBondContact O-CG 3.45Å; S46-L50 PolarHBondContact O-N 3.12Å; T47-L50 PolarHBondContact O-N 3.38Å; L50-S54 WeakPolarHBondContact O-CB 3.22Å; L50-S54 PolarHBondContact O-N 2.75Å; L50-L69 HydrophobicContact CD2-CD2 4.14Å; L50-L90 HydrophobicContact CD1-CD2 3.62Å
51	R	65.5	Low	61.6	Low	124 Å²	124	52.8 Å²	52.8	47%	0.468	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-44.7	176.8	-171.3	59.1	166.5	-178.3	0.8	112.3	D7 T47 C48 L49 S54 N55	D7-R51 IonicContact OD1-CZ 3.89Å; D7-R51 IonicContact OD1-NE 3.62Å; D7-R51 IonicContact OD1-NH2 3.2Å; D7-R51 PolarHBondContact OD1-NH2 2.84Å; T47-R51 WeakPolarHBondContact O-CB 3.25Å; T47-R51 PolarHBondContact O-N 3.12Å; C48-R51 PolarHBondContact O-N 2.9Å; L49-R51 PolarHBondContact O-N 3.25Å; R51-S54 WeakPolarHBondContact O-CB 3.33Å; R51-S54 PolarHBondContact O-N 3.37Å; R51-N55 PolarHBondContact O-N 3.11Å; R51-N55 PolarHBondContact O-OD1 3.25Å
52	I	68	Low	61.2	Low	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-42.3	178.4	-52.6	156.8	0	0	0	110.6	F10 L13 F30 L33 C48 L49 S54 N55 L56	F10-I52 HydrophobicContact CB-CG1 4.48Å; F10-I52 HydrophobicContact CD1-CD1 3.66Å; F10-I52 HydrophobicContact CD1-CG1 3.3Å; F10-I52 HydrophobicContact CD2-CG1 4.35Å; F10-I52 HydrophobicContact CE1-CD1 3.26Å; F10-I52 HydrophobicContact CE1-CG1 3.39Å; F10-I52 HydrophobicContact CE2-CG1 4.41Å; F10-I52 HydrophobicContact CG-CG1 3.82Å; F10-I52 HydrophobicContact CZ-CD1 3.91Å; F10-I52 HydrophobicContact CZ-CG1 3.97Å; L13-I52 HydrophobicContact CD2-CD1 4.41Å; L13-I52 HydrophobicContact CD2-CG2 3.9Å; F30-I52 HydrophobicContact CD1-CD1 4.34Å; F30-I52 HydrophobicContact CE1-CB 3.73Å; F30-I52 HydrophobicContact CE1-CD1 3.68Å; F30-I52 HydrophobicContact CE1-CG1 4.29Å; F30-I52 HydrophobicContact CE1-CG2 3.42Å; F30-I52 VanDerWaalsContact CE1-CG2 3.42Å; F30-I52 HydrophobicContact CZ-CB 4.09Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; L33-I52 HydrophobicContact CD2-CD1 4.08Å; C48-I52 WeakPolarHBondContact O-CD1 3.2Å; C48-I52 VanDerWaalsContact O-CG1 3.23Å; C48-I52 WeakPolarHBondContact O-CG1 3.18Å; C48-I52 PolarHBondContact O-N 2.8Å; L49-I52 PolarHBondContact O-N 2.95Å; I52-S54 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 2.9Å; I52-N55 PolarHBondContact O-N 3.21Å; I52-L56 HydrophobicContact CG2-CD1 4.23Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CB 3.49Å; I52-L56 WeakPolarHBondContact O-CG 3.14Å; I52-L56 PolarHBondContact O-N 3.07Å
53	A	66.8	Low	60.4	Low	18 Å²	18	55.8 Å²	55.8	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-43	175.6	0	0	0	0	0	111	L49 L56 L57	L49-A53 VanDerWaalsContact O-CB 3.31Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 3.36Å; A53-L56 PolarHBondContact O-N 3.48Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.43Å; A53-L57 PolarHBondContact O-N 2.97Å
54	S	65.9	Low	60	Low	41 Å²	41	54.7 Å²	54.7	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-48.6	173.1	-167.8	0	0	0	0	111.8	L50 R51 I52 L56 L57 D58	L50-S54 WeakPolarHBondContact O-CB 3.22Å; L50-S54 PolarHBondContact O-N 2.75Å; R51-S54 WeakPolarHBondContact O-CB 3.33Å; R51-S54 PolarHBondContact O-N 3.37Å; I52-S54 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 2.9Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 2.87Å; S54-L57 PolarHBondContact O-N 3.35Å; S54-D58 WeakPolarHBondContact O-CB 3.45Å; S54-D58 PolarHBondContact O-N 3.26Å
55	N	64.6	Low	59.8	Low	16 Å²	16	56.1 Å²	56.1	9%	0.086	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-34	-179.6	-74.5	8.7	0	0	0	112.5	D11 S14 R51 I52 K59	D11-N55 PolarHBondContact OD1-ND2 3.44Å; S14-N55 PolarHBondContact OG-O 3.33Å; R51-N55 PolarHBondContact O-N 3.11Å; R51-N55 PolarHBondContact O-OD1 3.25Å; I52-N55 PolarHBondContact O-N 3.21Å; N55-K59 WeakPolarHBondContact O-CG 3.31Å; N55-K59 PolarHBondContact O-N 3.16Å; N55-K59 VanDerWaalsContact O-N 3.13Å
56	L	61.6	Low	59.1	Low	9 Å²	9	62.8 Å²	62.8	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-70.2	-38.5	174.1	-77.9	172.2	0	0	0	112.1	S14 L17 F30 I52 A53 S54 K59 G60	S14-L56 WeakPolarHBondContact OG-CD2 3.1Å; L17-L56 HydrophobicContact CB-CD2 3.84Å; L17-L56 HydrophobicContact CD1-CD1 4.17Å; F30-L56 HydrophobicContact CE2-CD1 3.68Å; F30-L56 HydrophobicContact CZ-CD1 3.54Å; I52-L56 HydrophobicContact CG2-CD1 4.23Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CB 3.49Å; I52-L56 WeakPolarHBondContact O-CG 3.14Å; I52-L56 PolarHBondContact O-N 3.07Å; A53-L56 PolarHBondContact O-N 3.48Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 2.87Å; L56-K59 PolarHBondContact O-N 2.9Å; L56-G60 PolarHBondContact O-N 3.38Å
57	L	63.5	Low	58.7	Low	91 Å²	91	64.7 Å²	64.7	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-39.4	175.3	-72.7	168.4	0	0	0	111.4	A53 S54 G60	A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.43Å; A53-L57 PolarHBondContact O-N 2.97Å; S54-L57 PolarHBondContact O-N 3.35Å; L57-G60 PolarHBondContact O-N 2.9Å
58	D	64.3	Low	58.2	Low	120 Å²	120	65.4 Å²	65.4	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-68.7	-32.9	177.8	-72.8	-26.6	0	0	0	112.6	S54	S54-D58 WeakPolarHBondContact O-CB 3.45Å; S54-D58 PolarHBondContact O-N 3.26Å
59	K	60.3	Low	57.7	Low	66 Å²	66	66.4 Å²	66.4	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-84.6	-17	175.6	-67.9	-170.7	-169.8	-176.3	0	113.5	D11 S14 D15 F18 N55 L56	D11-K59 PolarHBondContact O-NZ 3.5Å; D11-K59 IonicContact OD1-NZ 3.98Å; S14-K59 WeakPolarHBondContact OG-CD 3.11Å; D15-K59 WeakPolarHBondContact OD1-CD 3.3Å; D15-K59 IonicContact OD1-NZ 2.66Å; D15-K59 PolarHBondContact OD1-NZ 2.8Å; D15-K59 IonicContact OD2-NZ 3.51Å; F18-K59 WeakPolarHBondContact CE2-O 3.41Å; N55-K59 WeakPolarHBondContact O-CG 3.31Å; N55-K59 PolarHBondContact O-N 3.16Å; N55-K59 VanDerWaalsContact O-N 3.13Å; L56-K59 PolarHBondContact O-N 2.9Å
60	G	56.3	Low	56.9	Low	16 Å²	16	69.5 Å²	69.5	17%	0.165	36%	0.359	C	S	.	.	S	Bend	trans	-75.8	139.7	-179.1	0	0	0	0	0	113.1	L56 L57 G62	L56-G60 PolarHBondContact O-N 3.38Å; L57-G60 PolarHBondContact O-N 2.9Å; G60-G62 PolarHBondContact O-N 2.66Å
61	D	44.3	Very low	56.3	Low	140 Å²	140	68.8 Å²	68.8	75%	0.749	36%	0.36	S	S	*	.	S	Bend	trans	-67	35	174.5	-77.4	-31.6	0	0	0	113.9	R63	D61-R63 PolarHBondContact O-N 2.9Å
62	G	48.2	Very low	55.9	Low	52 Å²	52	62.9 Å²	62.9	54%	0.536	34%	0.338	S	S	.	.	S	Bend	trans	66.8	14.4	-172.9	0	0	0	0	0	113.7	G60	G60-G62 PolarHBondContact O-N 2.66Å
63	R	43.7	Very low	55.2	Low	155 Å²	155	64 Å²	64	59%	0.585	34%	0.344	S	S	*	.			trans	-69.6	130.9	169.4	-66.7	-171	-172.1	-171.4	4.9	108.4	D21 D61 F65	D21-R63 IonicContact OD1-NH1 3.7Å; D61-R63 PolarHBondContact O-N 2.9Å; R63-F65 VanDerWaalsContact C-N 3.3Å; R63-F65 PolarHBondContact O-N 3.09Å
64	P	45.5	Very low	54.7	Low	85 Å²	85	69.2 Å²	69.2	55%	0.552	37%	0.368	S	S	*	.			trans	-67.2	96.1	171.4	27.8	-31.1	0	0	0	107.5	W66	P64-W66 PolarHBondContact O-N 3.46Å
65	F	50.9	Low	54.2	Low	57 Å²	57	74.2 Å²	74.2	25%	0.25	38%	0.381	C	S	.	.			trans	-62.3	107.5	157.9	-87.3	-79.9	0	0	0	105.7	I26 R63 F67	I26-F65 HydrophobicContact CD1-CD1 3.9Å; I26-F65 HydrophobicContact CD1-CE1 3.4Å; I26-F65 VanDerWaalsContact CD1-CE1 3.4Å; I26-F65 HydrophobicContact CD1-CZ 4.4Å; R63-F65 VanDerWaalsContact C-N 3.3Å; R63-F65 PolarHBondContact O-N 3.09Å; F65-F67 PolarHBondContact O-N 3.05Å
66	W	48.4	Very low	53.5	Low	199 Å²	199	75.3 Å²	75.3	75%	0.754	39%	0.386	S	S	*	.			trans	-71.6	74.9	168.5	-63.6	96.9	0	0	0	107.6	P64 D68	P64-W66 PolarHBondContact O-N 3.46Å; W66-D68 PolarHBondContact O-N 3.43Å
67	F	52.4	Low	53	Low	47 Å²	47	77 Å²	77	21%	0.206	39%	0.394	C	S	.	.			trans	-78.3	108.2	169.7	-169.9	-98.9	0	0	0	106.8	I26 N27 F30 L49 F65 L69	I26-F67 HydrophobicContact CG2-CD2 4.42Å; N27-F67 WeakPolarHBondContact OD1-CD2 3.16Å; N27-F67 WeakPolarHBondContact OD1-CE2 3.28Å; F30-F67 HydrophobicContact CB-CE2 3.94Å; F30-F67 HydrophobicContact CB-CZ 4.03Å; F30-F67 HydrophobicContact CD1-CE2 4.44Å; F30-F67 HydrophobicContact CD1-CZ 4.46Å; F30-F67 HydrophobicContact CD2-CD2 4.17Å; F30-F67 AromaticContact CD2-CE2 3.32Å; F30-F67 HydrophobicContact CD2-CE2 3.32Å; F30-F67 HydrophobicContact CD2-CZ 4.09Å; F30-F67 HydrophobicContact CE2-CD2 4.36Å; F30-F67 AromaticContact CE2-CE2 3.84Å; F30-F67 HydrophobicContact CE2-CE2 3.84Å; F30-F67 AromaticContact CG-CE2 3.66Å; F30-F67 HydrophobicContact CG-CE2 3.66Å; F30-F67 AromaticContact CG-CZ 3.96Å; F30-F67 HydrophobicContact CG-CZ 3.96Å; L49-F67 HydrophobicContact CD2-CZ 4.24Å; F65-F67 PolarHBondContact O-N 3.05Å; F67-L69 HydrophobicContact CD1-CB 3.68Å; F67-L69 HydrophobicContact CD1-CD1 3.73Å; F67-L69 HydrophobicContact CD1-CG 4.27Å; F67-L69 VanDerWaalsContact CE1-CA 3.47Å; F67-L69 HydrophobicContact CE1-CB 3.75Å; F67-L69 HydrophobicContact CE1-CD1 3.31Å; F67-L69 HydrophobicContact CE1-CG 3.99Å; F67-L69 HydrophobicContact CZ-CD1 4.46Å; F67-L69 PolarHBondContact O-N 3Å
68	D	53.1	Low	52	Low	72 Å²	72	84.2 Å²	84.2	39%	0.385	42%	0.415	S	S	.	.			trans	-80.3	76.2	173.1	-165.4	-10.2	0	0	0	108.1	N27 W66 S70 A71 S72	N27-D68 PolarHBondContact OD1-N 2.87Å; W66-D68 PolarHBondContact O-N 3.43Å; D68-S70 PolarHBondContact O-N 2.86Å; D68-S70 WeakPolarHBondContact OD1-CA 3.34Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.39Å; D68-S70 PolarHBondContact OD1-N 3.05Å; D68-S70 VanDerWaalsContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.49Å; D68-A71 HydrophobicContact CB-CB 4.01Å; D68-A71 VanDerWaalsContact CG-CB 3.48Å; D68-A71 PolarHBondContact O-N 3.48Å; D68-A71 PolarHBondContact OD1-N 3.03Å; D68-A71 WeakPolarHBondContact OD2-CB 3.47Å; D68-S72 PolarHBondContact O-N 2.68Å; D68-S72 VanDerWaalsContact O-N 3.12Å; D68-S72 PolarHBondContact O-OG 3.23Å; D68-S72 VanDerWaalsContact O-OG 3.13Å
69	L	55.3	Low	50.8	Low	34 Å²	34	81.7 Å²	81.7	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-56.3	-32.1	172.6	-161.4	90.9	0	0	0	109.2	L49 L50 F67 S72 L73	L49-L69 HydrophobicContact CB-CD1 4.18Å; L50-L69 HydrophobicContact CD2-CD2 4.14Å; F67-L69 HydrophobicContact CD1-CB 3.68Å; F67-L69 HydrophobicContact CD1-CD1 3.73Å; F67-L69 HydrophobicContact CD1-CG 4.27Å; F67-L69 VanDerWaalsContact CE1-CA 3.47Å; F67-L69 HydrophobicContact CE1-CB 3.75Å; F67-L69 HydrophobicContact CE1-CD1 3.31Å; F67-L69 HydrophobicContact CE1-CG 3.99Å; F67-L69 HydrophobicContact CZ-CD1 4.46Å; F67-L69 PolarHBondContact O-N 3Å; L69-S72 PolarHBondContact O-N 3.18Å; L69-L73 HydrophobicContact CD2-CD1 3.6Å; L69-L73 HydrophobicContact CG-CD1 3.69Å; L69-L73 HydrophobicContact CG-CG 4.1Å; L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.98Å
70	S	50.1	Low	49.4	Very low	67 Å²	67	82.1 Å²	82.1	47%	0.469	41%	0.411	S	S	.	.	H	α-helix	trans	-65.7	-47.2	179.7	83.2	0	0	0	0	111.3	D68 S72 L73 L74	D68-S70 PolarHBondContact O-N 2.86Å; D68-S70 WeakPolarHBondContact OD1-CA 3.34Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.39Å; D68-S70 PolarHBondContact OD1-N 3.05Å; D68-S70 VanDerWaalsContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.49Å; S70-S72 VanDerWaalsContact C-N 3.32Å; S70-S72 PolarHBondContact O-N 3.25Å; S70-L73 PolarHBondContact O-N 3.47Å; S70-L74 WeakPolarHBondContact O-CB 3.05Å; S70-L74 WeakPolarHBondContact O-CD1 3.43Å; S70-L74 WeakPolarHBondContact O-CG 3.46Å; S70-L74 PolarHBondContact O-N 3.44Å
71	A	53.6	Low	48.6	Very low	35 Å²	35	86.8 Å²	86.8	29%	0.289	44%	0.441	S	S	.	.	H	α-helix	trans	-62.9	-38.8	175.8	0	0	0	0	0	112.3	D68 R75	D68-A71 HydrophobicContact CB-CB 4.01Å; D68-A71 VanDerWaalsContact CG-CB 3.48Å; D68-A71 PolarHBondContact O-N 3.48Å; D68-A71 PolarHBondContact OD1-N 3.03Å; D68-A71 WeakPolarHBondContact OD2-CB 3.47Å; A71-R75 WeakPolarHBondContact O-CG 3.3Å; A71-R75 PolarHBondContact O-N 2.88Å
72	S	58.1	Low	48.3	Very low	1 Å²	1	86.8 Å²	86.8	1%	0.007	44%	0.441	C	S	.	.	H	α-helix	trans	-70.5	-41.7	179.8	-55.4	0	0	0	0	111.8	D68 L69 S70 R75 L76	D68-S72 PolarHBondContact O-N 2.68Å; D68-S72 VanDerWaalsContact O-N 3.12Å; D68-S72 PolarHBondContact O-OG 3.23Å; D68-S72 VanDerWaalsContact O-OG 3.13Å; L69-S72 PolarHBondContact O-N 3.18Å; S70-S72 VanDerWaalsContact C-N 3.32Å; S70-S72 PolarHBondContact O-N 3.25Å; S72-R75 PolarHBondContact O-N 3.18Å; S72-L76 WeakPolarHBondContact O-CG 3.5Å; S72-L76 PolarHBondContact O-N 3.47Å; S72-L76 VanDerWaalsContact O-N 3.12Å
73	L	53.1	Low	47.7	Very low	24 Å²	24	89.4 Å²	89.4	13%	0.126	44%	0.437	C	S	.	.	H	α-helix	trans	-70.1	-38.7	175.3	-71.3	172.3	0	0	0	112	L49 L69 S70 R75 L76 H77	L49-L73 HydrophobicContact CD1-CD2 3.9Å; L69-L73 HydrophobicContact CD2-CD1 3.6Å; L69-L73 HydrophobicContact CG-CD1 3.69Å; L69-L73 HydrophobicContact CG-CG 4.1Å; L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.98Å; S70-L73 PolarHBondContact O-N 3.47Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 2.82Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 PolarHBondContact O-N 3.3Å; L73-H77 WeakPolarHBondContact O-CB 3.47Å; L73-H77 PolarHBondContact O-CD2 3.34Å; L73-H77 VanDerWaalsContact O-CD2 3.23Å; L73-H77 PolarHBondContact O-N 3.3Å
74	L	55.7	Low	47.3	Very low	126 Å²	126	84.3 Å²	84.3	66%	0.66	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-39.6	174.5	-82.1	160.1	0	0	0	111.5	S70 H77	S70-L74 WeakPolarHBondContact O-CB 3.05Å; S70-L74 WeakPolarHBondContact O-CD1 3.43Å; S70-L74 WeakPolarHBondContact O-CG 3.46Å; S70-L74 PolarHBondContact O-N 3.44Å; L74-H77 PolarHBondContact O-N 2.81Å
75	R	54.5	Low	47	Very low	147 Å²	147	86.8 Å²	86.8	56%	0.555	44%	0.442	S	S	*	.	H	α-helix	trans	-68.6	-39	175.7	-76.4	179.4	-179.2	-164.1	2.3	112.9	A71 S72 L73 H77	A71-R75 WeakPolarHBondContact O-CG 3.3Å; A71-R75 PolarHBondContact O-N 2.88Å; S72-R75 PolarHBondContact O-N 3.18Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 2.82Å; R75-H77 PolarHBondContact O-N 2.98Å
76	L	50.8	Low	46.3	Very low	38 Å²	38	89.1 Å²	89.1	20%	0.199	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-32.9	174.6	-80.9	170.9	0	0	0	112.6	L34 L49 S72 L73 R78	L34-L76 HydrophobicContact CB-CD1 4.07Å; L34-L76 HydrophobicContact CB-CD2 3.63Å; L34-L76 HydrophobicContact CB-CG 4.17Å; L34-L76 HydrophobicContact CD1-CD1 3.64Å; L34-L76 HydrophobicContact CD1-CG 4.17Å; L34-L76 HydrophobicContact CD2-CD1 4.09Å; L34-L76 HydrophobicContact CG-CD1 4.14Å; L49-L76 HydrophobicContact CD1-CD1 3.92Å; S72-L76 WeakPolarHBondContact O-CG 3.5Å; S72-L76 PolarHBondContact O-N 3.47Å; S72-L76 VanDerWaalsContact O-N 3.12Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 PolarHBondContact O-N 3.3Å; L76-R78 PolarHBondContact O-N 3.5Å
77	H	51.1	Low	45.9	Very low	44 Å²	44	81.6 Å²	81.6	20%	0.204	44%	0.435	C	S	.	.			trans	-87.8	68.5	179.9	-71.5	-44.7	0	0	0	112.1	L73 L74 R75 L79	L73-H77 WeakPolarHBondContact O-CB 3.47Å; L73-H77 PolarHBondContact O-CD2 3.34Å; L73-H77 VanDerWaalsContact O-CD2 3.23Å; L73-H77 PolarHBondContact O-N 3.3Å; L74-H77 PolarHBondContact O-N 2.81Å; R75-H77 PolarHBondContact O-N 2.98Å; H77-L79 HydrophobicContact CB-CB 4.13Å; H77-L79 HydrophobicContact CB-CD1 3.96Å; H77-L79 HydrophobicContact CB-CG 3.87Å; H77-L79 WeakPolarHBondContact CE1-CD1 3.38Å; H77-L79 WeakPolarHBondContact ND1-CD1 2.94Å; H77-L79 WeakPolarHBondContact ND1-CG 3.45Å; H77-L79 PolarHBondContact O-N 2.85Å
78	R	43.2	Very low	45	Very low	244 Å²	244	85 Å²	85	92%	0.921	45%	0.449	S	S	*	.			trans	-62.9	42.3	148.7	-68.8	-166.2	-169.9	-166.9	4.7	110.8	L76	L76-R78 PolarHBondContact O-N 3.5Å
79	L	37.5	Very low	44.1	Very low	66 Å²	66	88.6 Å²	88.6	35%	0.346	46%	0.462	S	S	.	.			trans	-83.1	139.7	-176	-77.7	-177	0	0	0	108.7	H77 F83	H77-L79 HydrophobicContact CB-CB 4.13Å; H77-L79 HydrophobicContact CB-CD1 3.96Å; H77-L79 HydrophobicContact CB-CG 3.87Å; H77-L79 WeakPolarHBondContact CE1-CD1 3.38Å; H77-L79 WeakPolarHBondContact ND1-CD1 2.94Å; H77-L79 WeakPolarHBondContact ND1-CG 3.45Å; H77-L79 PolarHBondContact O-N 2.85Å; L79-F83 HydrophobicContact CB-CB 4.37Å; L79-F83 HydrophobicContact CD1-CB 3.82Å; L79-F83 HydrophobicContact CD1-CG 4.34Å; L79-F83 HydrophobicContact CD2-CD2 4.4Å; L79-F83 HydrophobicContact CD2-CG 4.49Å
80	P	32.6	Very low	43.1	Very low	76 Å²	76	88.6 Å²	88.6	49%	0.494	46%	0.461	S	S	.	.			trans	-51.1	145	163	-18.7	30.1	0	0	0	109.6	D82 F83	P80-D82 PolarHBondContact O-N 3.32Å; P80-F83 PolarHBondContact O-N 3.22Å
81	S	39.5	Very low	42.3	Very low	113 Å²	113	91.1 Å²	91.1	79%	0.79	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-48.4	-11.3	174.4	42.4	0	0	0	0	115.2
82	D	37.9	Very low	41.3	Very low	141 Å²	141	95.9 Å²	95.9	75%	0.754	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-91.8	1.7	-172.2	-50.7	-14.7	0	0	0	112.8	P80	P80-D82 PolarHBondContact O-N 3.32Å
83	F	35.3	Very low	40	Very low	106 Å²	106	102 Å²	102	47%	0.465	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-105.3	14.7	175.3	-88	-85.4	0	0	0	114.3	L79 P80 D85 L86	L79-F83 HydrophobicContact CB-CB 4.37Å; L79-F83 HydrophobicContact CD1-CB 3.82Å; L79-F83 HydrophobicContact CD1-CG 4.34Å; L79-F83 HydrophobicContact CD2-CD2 4.4Å; L79-F83 HydrophobicContact CD2-CG 4.49Å; P80-F83 PolarHBondContact O-N 3.22Å; F83-D85 PolarHBondContact O-N 2.88Å; F83-L86 PolarHBondContact O-N 3.43Å; F83-L86 VanDerWaalsContact O-N 3.11Å
84	G	35.3	Very low	39.1	Very low	49 Å²	49	103.5 Å²	103.5	51%	0.505	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.5	-178.5	0	0	0	0	0	115.8
85	D	38.9	Very low	38.1	Very low	136 Å²	136	100.3 Å²	100.3	73%	0.727	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-13.8	-178.4	-81.9	-22.8	0	0	0	115.8	F83	F83-D85 PolarHBondContact O-N 2.88Å
86	L	36.4	Very low	37.1	Very low	106 Å²	106	102.1 Å²	102.1	56%	0.555	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-24.5	-179.7	-107.1	92.4	0	0	0	113.7	F83 F88 K89	F83-L86 PolarHBondContact O-N 3.43Å; F83-L86 VanDerWaalsContact O-N 3.11Å; L86-F88 PolarHBondContact O-N 3.38Å; L86-K89 PolarHBondContact O-N 2.93Å
87	S	38.7	Very low	36.5	Very low	42 Å²	42	104.8 Å²	104.8	29%	0.294	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	-18.5	178	-47.9	0	0	0	0	113.1
88	F	34.9	Very low	35.7	Very low	117 Å²	117	107.8 Å²	107.8	51%	0.513	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	-12.8	-179.6	-91	-87.8	0	0	0	114.9	L86 L115	L86-F88 PolarHBondContact O-N 3.38Å; F88-L115 HydrophobicContact CE1-CD2 4.09Å; F88-L115 HydrophobicContact CZ-CD2 4.25Å
89	K	33.7	Very low	35.2	Very low	149 Å²	149	100.1 Å²	100.1	65%	0.648	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-84.5	-11.8	-179.7	-76.3	178.9	178.7	172.1	0	114.2	L86	L86-K89 PolarHBondContact O-N 2.93Å
90	L	33.2	Very low	35	Very low	33 Å²	33	101.3 Å²	101.3	17%	0.173	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-91.7	-0.3	177.8	-112.6	145.9	0	0	0	113.9	F43 L50	F43-L90 HydrophobicContact CD2-CD1 3.8Å; F43-L90 HydrophobicContact CD2-CG 4.42Å; F43-L90 HydrophobicContact CE2-CD1 4.32Å; F43-L90 HydrophobicContact CE2-CG 4.47Å; L50-L90 HydrophobicContact CD1-CD2 3.62Å
91	L	34.6	Very low	34.9	Very low	121 Å²	121	104 Å²	104	63%	0.634	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-97.4	2.3	178.1	-121.7	134.7	0	0	0	113.7
92	L	32.3	Very low	34.5	Very low	135 Å²	135	104.1 Å²	104.1	71%	0.707	56%	0.559	S	S	*	*	S	Bend	trans	-118.9	6.9	-178.3	-86.3	160.8	0	0	0	114.3
93	L	30.1	Very low	34.2	Very low	130 Å²	130	101.9 Å²	101.9	68%	0.681	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	52.2	179.9	-75.1	161.6	0	0	0	112.1
94	S	34.6	Very low	34	Very low	54 Å²	54	108 Å²	108	38%	0.378	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-159.5	42.6	146.7	69.3	0	0	0	0	110.7	E96 T97 F98	S94-E96 PolarHBondContact O-N 3.38Å; S94-E96 VanDerWaalsContact O-N 3.16Å; S94-T97 PolarHBondContact O-N 2.85Å; S94-F98 PolarHBondContact O-N 3.27Å
95	A	34.5	Very low	33.9	Very low	60 Å²	60	109.6 Å²	109.6	50%	0.496	58%	0.578	S	S	.	*	H	α-helix	trans	-68.2	-11	-174.2	0	0	0	0	0	114.8	S99	A95-S99 WeakPolarHBondContact O-CB 3.4Å
96	E	34.1	Very low	33.4	Very low	184 Å²	184	109.4 Å²	109.4	86%	0.86	58%	0.581	S	S	*	*	H	α-helix	trans	-87.3	-22.9	176.4	-68.5	-176.1	163.1	0	0	113.3	S94	S94-E96 PolarHBondContact O-N 3.38Å; S94-E96 VanDerWaalsContact O-N 3.16Å
97	T	37.3	Very low	33	Very low	95 Å²	95	107.5 Å²	107.5	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-96.7	-26.7	177	-13.5	0	0	0	0	112.1	S94	S94-T97 PolarHBondContact O-N 2.85Å
98	F	35.2	Very low	32.5	Very low	107 Å²	107	111.8 Å²	111.8	47%	0.469	61%	0.612	S	S	.	*	H	α-helix	trans	-78.3	-26.4	177.2	-114.2	-107.9	0	0	0	114.1	S94 S100 F101 F102	S94-F98 PolarHBondContact O-N 3.27Å; F98-S100 VanDerWaalsContact C-N 3.33Å; F98-S100 PolarHBondContact O-N 3.01Å; F98-F101 PolarHBondContact O-N 2.88Å; F98-F102 AromaticContact CD1-CD2 3.62Å; F98-F102 HydrophobicContact CD1-CD2 3.62Å; F98-F102 AromaticContact CD1-CE2 3.71Å; F98-F102 HydrophobicContact CD1-CE2 3.71Å; F98-F102 AromaticContact CE1-CD2 3.95Å; F98-F102 HydrophobicContact CE1-CD2 3.95Å; F98-F102 AromaticContact CE1-CE2 3.58Å; F98-F102 HydrophobicContact CE1-CE2 3.58Å; F98-F102 WeakPolarHBondContact O-CB 3.2Å; F98-F102 PolarHBondContact O-N 3.2Å; F98-F102 VanDerWaalsContact O-N 3.12Å
99	S	32.8	Very low	32.2	Very low	82 Å²	82	109.6 Å²	109.6	57%	0.573	61%	0.61	S	S	*	*	H	α-helix	trans	-65.2	-30.4	-175.1	179.4	0	0	0	0	113.9	A95	A95-S99 WeakPolarHBondContact O-CB 3.4Å
100	S	32.3	Very low	32	Very low	91 Å²	91	107.3 Å²	107.3	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-81.4	-21.2	-179	69.7	0	0	0	0	114	F98	F98-S100 VanDerWaalsContact C-N 3.33Å; F98-S100 PolarHBondContact O-N 3.01Å
101	F	30.6	Very low	31.8	Very low	132 Å²	132	109.7 Å²	109.7	58%	0.579	63%	0.629	S	S	*	*	H	α-helix	trans	-95.3	-29.8	178.6	-147.9	-95.2	0	0	0	112.3	F98	F98-F101 PolarHBondContact O-N 2.88Å
102	F	31.3	Very low	31.4	Very low	117 Å²	117	110.1 Å²	110.1	51%	0.513	63%	0.626	S	S	.	*	H	α-helix	trans	-76	-23.1	177.7	-109.2	-102.7	0	0	0	114.2	F98 R104 V106	F98-F102 AromaticContact CD1-CD2 3.62Å; F98-F102 HydrophobicContact CD1-CD2 3.62Å; F98-F102 AromaticContact CD1-CE2 3.71Å; F98-F102 HydrophobicContact CD1-CE2 3.71Å; F98-F102 AromaticContact CE1-CD2 3.95Å; F98-F102 HydrophobicContact CE1-CD2 3.95Å; F98-F102 AromaticContact CE1-CE2 3.58Å; F98-F102 HydrophobicContact CE1-CE2 3.58Å; F98-F102 WeakPolarHBondContact O-CB 3.2Å; F98-F102 PolarHBondContact O-N 3.2Å; F98-F102 VanDerWaalsContact O-N 3.12Å; F102-R104 PolarHBondContact O-N 3.46Å; F102-V106 WeakPolarHBondContact O-CG2 3.15Å
103	S	32.7	Very low	31.1	Very low	93 Å²	93	112.8 Å²	112.8	65%	0.65	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-11.9	178.6	96.6	0	0	0	0	114.2
104	R	30.6	Very low	31.1	Very low	234 Å²	234	112.4 Å²	112.4	88%	0.883	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-8.6	179.4	-102	175	172.4	160	-2.1	115.3	F102	F102-R104 PolarHBondContact O-N 3.46Å
105	S	33.1	Very low	30.9	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	63%	0.627	S	S	*	*			trans	-116.9	16.4	-173.9	-53.6	0	0	0	0	113.5	G107	S105-G107 PolarHBondContact O-N 2.98Å
106	V	28.9	Very low	30.7	Very low	132 Å²	132	116.4 Å²	116.4	80%	0.8	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	99.3	174	-175.2	0	0	0	0	109.1	F102	F102-V106 WeakPolarHBondContact O-CG2 3.15Å
107	G	26.9	Very low	30.5	Very low	66 Å²	66	112.4 Å²	112.4	68%	0.68	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.5	-35.1	172.5	0	0	0	0	0	117.2	S105	S105-G107 PolarHBondContact O-N 2.98Å
108	T	29.6	Very low	30.3	Very low	132 Å²	132	114.5 Å²	114.5	81%	0.81	63%	0.625	S	S	*	*			trans	-154.3	15.2	-157.5	42.5	0	0	0	0	118.1	P110	T108-P110 WeakPolarHBondContact O-CD 3.42Å
109	C	28.3	Very low	30.1	Very low	72 Å²	72	116 Å²	116	49%	0.486	63%	0.631	S	S	.	*			trans	-85.7	112.6	179.6	-156.8	0	0	0	0	112.5	C111 F112	C109-C111 PolarHBondContact O-N 3.13Å; C109-C111 VanDerWaalsContact SG-SG 3.66Å; C109-F112 PolarHBondContact O-N 3.19Å
110	P	28.5	Very low	30.1	Very low	100 Å²	100	116 Å²	116	65%	0.649	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-19.7	-179.4	-17.4	32.9	0	0	0	113.3	T108 F112 R113	T108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-F112 PolarHBondContact O-N 3.38Å; P110-R113 PolarHBondContact O-N 3.44Å
111	C	28.7	Very low	30.3	Very low	84 Å²	84	120.7 Å²	120.7	57%	0.568	65%	0.648	S	S	*	*	H	α-helix	trans	-68.5	-24.4	-178.6	-41.3	0	0	0	0	112.6	C109	C109-C111 PolarHBondContact O-N 3.13Å; C109-C111 VanDerWaalsContact SG-SG 3.66Å
112	F	26.2	Very low	30.2	Very low	129 Å²	129	117.2 Å²	117.2	57%	0.566	65%	0.649	S	S	*	*	H	α-helix	trans	-80.8	-20.1	-179.4	-142.5	-92.1	0	0	0	112.9	C109 P110 L116	C109-F112 PolarHBondContact O-N 3.19Å; P110-F112 PolarHBondContact O-N 3.38Å; F112-L116 HydrophobicContact CD1-CD1 4.22Å; F112-L116 HydrophobicContact CE1-CD1 4.45Å
113	R	27.2	Very low	30.3	Very low	192 Å²	192	119.6 Å²	119.6	73%	0.725	67%	0.667	S	S	*	*	H	α-helix	trans	-79.8	-33.3	-179.3	-168.9	160	-179.8	133.5	0.4	112.4	P110 L115 L116 D117	P110-R113 PolarHBondContact O-N 3.44Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 2.87Å; R113-L116 PolarHBondContact O-N 3.3Å; R113-D117 PolarHBondContact O-N 3.5Å
114	L	29.7	Very low	30.2	Very low	122 Å²	122	123.3 Å²	123.3	64%	0.639	68%	0.679	S	S	*	*	H	α-helix	trans	-69.9	-29.5	176.2	-64.6	172.4	0	0	0	112.4	L116 D118	L114-L116 VanDerWaalsContact C-N 3.35Å; L114-L116 PolarHBondContact O-N 2.79Å; L114-D118 PolarHBondContact O-N 3.36Å
115	L	30.4	Very low	30.2	Very low	81 Å²	81	116.9 Å²	116.9	42%	0.424	68%	0.676	S	S	.	*	H	α-helix	trans	-75.4	-16.5	177.8	-88.1	158.5	0	0	0	114.6	F88 R113 F119	F88-L115 HydrophobicContact CE1-CD2 4.09Å; F88-L115 HydrophobicContact CZ-CD2 4.25Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 2.87Å; L115-F119 HydrophobicContact CD2-CE2 4.04Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å
116	L	30.5	Very low	30	Very low	116 Å²	116	118 Å²	118	61%	0.607	69%	0.69	S	S	*	*	H	α-helix	trans	-94.3	-27.8	176.4	-84.1	154.7	0	0	0	112.1	F112 R113 L114	F112-L116 HydrophobicContact CD1-CD1 4.22Å; F112-L116 HydrophobicContact CE1-CD1 4.45Å; R113-L116 PolarHBondContact O-N 3.3Å; L114-L116 VanDerWaalsContact C-N 3.35Å; L114-L116 PolarHBondContact O-N 2.79Å
117	D	30.1	Very low	30	Very low	100 Å²	100	115.1 Å²	115.1	54%	0.535	69%	0.687	S	S	.	*	H	α-helix	trans	-83.9	-34.7	-178.4	-69	-26.7	0	0	0	111.7	R113 F119	R113-D117 PolarHBondContact O-N 3.5Å; D117-F119 VanDerWaalsContact C-N 3.33Å; D117-F119 PolarHBondContact O-N 3.42Å
118	D	33.5	Very low	30.2	Very low	139 Å²	139	119.7 Å²	119.7	74%	0.743	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-15.4	176.4	-81.9	-15	0	0	0	114	L114	L114-D118 PolarHBondContact O-N 3.36Å
119	F	30.1	Very low	30.3	Very low	139 Å²	139	121.8 Å²	121.8	61%	0.61	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	178.2	-94.2	-97.7	0	0	0	113.8	L115 D117	L115-F119 HydrophobicContact CD2-CE2 4.04Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å; D117-F119 VanDerWaalsContact C-N 3.33Å; D117-F119 PolarHBondContact O-N 3.42Å
120	A	33.7	Very low	30.4	Very low	81 Å²	81	122.9 Å²	122.9	67%	0.669	72%	0.716	S	S	*	*	S	Bend	trans	-94.5	-11.5	-172.9	0	0	0	0	0	114.9
121	E	35.6	Very low	30.6	Very low	191 Å²	191	123.5 Å²	123.5	89%	0.893	73%	0.729	S	S	*	*	S	Bend	trans	-118.6	2	-167.8	-73.4	-171	160.6	0	0	116.2
122	G	29.9	Very low	30.8	Very low	59 Å²	59	122.4 Å²	122.4	61%	0.608	73%	0.732	S	S	*	*	S	Bend	trans	-147	119.7	-179.6	0	0	0	0	0	115.1
123	D	32.2	Very low	31.1	Very low	166 Å²	166	123.7 Å²	123.7	89%	0.888	75%	0.745	S	S	*	*			trans	72.7	39.5	153.3	-82.6	-13.5	0	0	0	121.3
124	L	30.5	Very low	31.4	Very low	171 Å²	171	123.3 Å²	123.3	90%	0.895	76%	0.756	S	S	*	*			trans	-115.1	75.3	153.7	-76.3	168.5	0	0	0	111.4	A126	L124-A126 PolarHBondContact O-N 3.48Å
125	A	31.1	Very low	31.4	Very low	100 Å²	100	121.4 Å²	121.4	83%	0.826	76%	0.758	S	S	*	*			trans	-67	107.2	165.6	0	0	0	0	0	110.5
126	A	29.3	Very low	31.5	Very low	106 Å²	106	122.7 Å²	122.7	88%	0.876	78%	0.781	S	S	*	*	S	Bend	trans	54.4	84.6	143.6	0	0	0	0	0	118.3	L124	L124-A126 PolarHBondContact O-N 3.48Å
127	G	27.8	Very low	31.3	Very low	71 Å²	71	120.4 Å²	120.4	73%	0.732	79%	0.785	S	S	*	*	S	Bend	trans	166	111.3	154.8	0	0	0	0	0	113.4
128	D	32.4	Very low	31.3	Very low	163 Å²	163	123.1 Å²	123.1	87%	0.872	80%	0.8	S	S	*	*	S	Bend	trans	76.3	29.8	151.1	-74.9	-10.2	0	0	0	122.6
129	L	31.4	Very low	31.1	Very low	176 Å²	176	126.9 Å²	126.9	92%	0.921	81%	0.81	S	S	*	*			trans	-127.6	78.2	153.4	-77.1	168.7	0	0	0	110.4	A131	L129-A131 PolarHBondContact O-N 3.36Å; L129-A131 VanDerWaalsContact O-N 3.16Å
130	A	30.5	Very low	31	Very low	95 Å²	95	124.6 Å²	124.6	79%	0.785	82%	0.816	S	S	*	*			trans	-55.9	116.9	166.4	0	0	0	0	0	109.1	G132	A130-G132 PolarHBondContact O-N 2.83Å
131	A	32.3	Very low	30.8	Very low	112 Å²	112	126 Å²	126	93%	0.926	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	101	170.2	0	0	0	0	0	109.8	L129	L129-A131 PolarHBondContact O-N 3.36Å; L129-A131 VanDerWaalsContact O-N 3.16Å
132	G	33.2	Very low	30.5	Very low	61 Å²	61	120.1 Å²	120.1	63%	0.629	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.8	-35.5	-178.5	0	0	0	0	0	116.3	A130	A130-G132 PolarHBondContact O-N 2.83Å
133	D	32.8	Very low	30.5	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	83%	0.829	S	S	*	*			trans	-104.9	25.7	-164.4	-75.7	-19.9	0	0	0	115.6	A135	D133-A135 PolarHBondContact O-N 2.76Å; D133-A135 VanDerWaalsContact O-N 3.07Å
134	L	32.5	Very low	30.3	Very low	183 Å²	183	126.7 Å²	126.7	96%	0.958	83%	0.83	S	S	*	*			trans	-82.6	52.7	160.2	-70.5	170.8	0	0	0	109.9
135	A	30.7	Very low	30.1	Very low	83 Å²	83	123 Å²	123	69%	0.686	82%	0.824	S	S	*	*			trans	-93.9	113.3	170.5	0	0	0	0	0	108.5	D133 G137	D133-A135 PolarHBondContact O-N 2.76Å; D133-A135 VanDerWaalsContact O-N 3.07Å; A135-G137 PolarHBondContact O-N 2.8Å
136	A	30.5	Very low	30	Very low	108 Å²	108	123.8 Å²	123.8	89%	0.893	83%	0.831	S	S	*	*	S	Bend	trans	-36.6	123.5	172.4	0	0	0	0	0	113.7
137	G	28.2	Very low	30	Very low	68 Å²	68	121.7 Å²	121.7	70%	0.701	82%	0.819	S	S	*	*			trans	161.1	-27.5	155.7	0	0	0	0	0	120.9	A135	A135-G137 PolarHBondContact O-N 2.8Å
138	D	29.3	Very low	30.2	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	83%	0.825	S	S	*	*			trans	-134.2	62.2	-157.4	-85.2	-28.2	0	0	0	115.9
139	F	28.6	Very low	30.1	Very low	218 Å²	218	128 Å²	128	96%	0.956	83%	0.827	S	S	*	*			trans	-111.7	84.1	156.2	-75.4	-77	0	0	0	109.2	A141	F139-A141 PolarHBondContact O-N 3.03Å
140	A	29.1	Very low	29.9	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	82%	0.82	S	S	*	*			trans	-62.6	125.1	170.4	0	0	0	0	0	109.7	G142	A140-G142 PolarHBondContact O-N 3.24Å
141	A	29.4	Very low	29.9	Very low	109 Å²	109	124.5 Å²	124.5	90%	0.901	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	112.3	170.9	0	0	0	0	0	110.3	F139	F139-A141 PolarHBondContact O-N 3.03Å
142	G	28	Very low	29.7	Very low	69 Å²	69	122 Å²	122	71%	0.711	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.1	-22	175.2	0	0	0	0	0	119	A140	A140-G142 PolarHBondContact O-N 3.24Å
143	D	31.1	Very low	29.6	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	82%	0.819	S	S	*	*			trans	-107.5	13.1	-159.5	-88.6	-13.1	0	0	0	117.7
144	F	27.5	Very low	29.5	Very low	210 Å²	210	128.1 Å²	128.1	92%	0.921	82%	0.818	S	S	*	*			trans	-105.7	82.2	169	-70.6	-75.8	0	0	0	111	A146	F144-A146 PolarHBondContact O-N 3.26Å
145	A	27	Very low	29.4	Very low	92 Å²	92	125 Å²	125	76%	0.76	81%	0.809	S	S	*	*			trans	-58.3	125.9	168.9	0	0	0	0	0	110.2	G147	A145-G147 PolarHBondContact O-N 2.7Å
146	A	29.2	Very low	29.7	Very low	118 Å²	118	128.4 Å²	128.4	98%	0.975	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	40.1	-178.1	0	0	0	0	0	115.1	F144	F144-A146 PolarHBondContact O-N 3.26Å
147	G	28.7	Very low	30.1	Very low	61 Å²	61	130 Å²	130	63%	0.629	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-12.6	-166.4	0	0	0	0	0	117.6	A145	A145-G147 PolarHBondContact O-N 2.7Å
148	D	31.9	Very low	31	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	79%	0.786	S	S	*	*			trans	-101	4.6	-165.1	-96.7	-11.7	0	0	0	116.5	A150	D148-A150 PolarHBondContact O-N 3.46Å
149	F	30.1	Very low	31.9	Very low	210 Å²	210	130.3 Å²	130.3	92%	0.921	78%	0.782	S	S	*	*			trans	-97	76.7	169.2	-66	-76.2	0	0	0	109.9	A151	F149-A151 PolarHBondContact O-N 2.79Å
150	A	27	Very low	32.6	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	77%	0.765	S	S	*	*			trans	-53.5	121.4	169.1	0	0	0	0	0	109.8	D148 G152	D148-A150 PolarHBondContact O-N 3.46Å; A150-G152 PolarHBondContact O-N 3.22Å
151	A	31.2	Very low	33.2	Very low	104 Å²	104	123.7 Å²	123.7	86%	0.86	75%	0.749	S	S	*	*	S	Bend	trans	-68.5	44.9	-174.3	0	0	0	0	0	114.7	F149	F149-A151 PolarHBondContact O-N 2.79Å
152	G	27.4	Very low	34.1	Very low	60 Å²	60	122 Å²	122	62%	0.619	72%	0.724	S	S	*	*			trans	-106.1	-23.3	-161	0	0	0	0	0	118.6	A150	A150-G152 PolarHBondContact O-N 3.22Å
153	D	31.1	Very low	34.9	Very low	157 Å²	157	119.6 Å²	119.6	84%	0.84	70%	0.695	S	S	*	*			trans	-131.9	46.2	-162.3	-86.8	-28.5	0	0	0	114.7	P155	D153-P155 WeakPolarHBondContact O-CD 3.2Å
154	F	30.5	Very low	35.8	Very low	188 Å²	188	117.5 Å²	117.5	83%	0.825	68%	0.679	S	S	*	*			trans	-103.3	101.3	164.8	-65.6	-75.4	0	0	0	109.6	D156	F154-D156 PolarHBondContact O-N 3.11Å
155	P	31.4	Very low	36.9	Very low	117 Å²	117	115.9 Å²	115.9	76%	0.76	67%	0.666	S	S	*	*			trans	-72.2	118.6	170.2	29	-30.4	0	0	0	109.7	D153	D153-P155 WeakPolarHBondContact O-CD 3.2Å
156	D	35.7	Very low	38.1	Very low	155 Å²	155	112.5 Å²	112.5	83%	0.829	64%	0.636	S	S	*	*			trans	49.2	112.3	155.4	-59.1	-38.8	0	0	0	119.9	F154	F154-D156 PolarHBondContact O-N 3.11Å
157	D	40.6	Very low	39.1	Very low	141 Å²	141	108.1 Å²	108.1	75%	0.754	60%	0.599	S	S	*	*			trans	-32.8	129.4	170.5	-82.8	-46.9	0	0	0	115.4	R159	D157-R159 PolarHBondContact O-N 3.2Å; D157-R159 VanDerWaalsContact O-N 3.12Å
158	P	47.3	Very low	40.3	Very low	35 Å²	35	108.6 Å²	108.6	23%	0.227	59%	0.593	C	S	.	*			trans	-63.3	116.9	156.1	26.6	-29.1	0	0	0	107.4	F2 P38 F39 E160 L163	F2-P158 HydrophobicContact CE2-CG 4.38Å; P38-P158 HydrophobicContact CB-CB 4.15Å; P38-P158 HydrophobicContact CG-CB 3.92Å; P38-P158 HydrophobicContact CG-CG 4.47Å; F39-P158 HydrophobicContact CE1-CG 4.44Å; P158-E160 PolarHBondContact O-N 2.91Å; P158-E160 VanDerWaalsContact O-N 3.11Å; P158-L163 HydrophobicContact CG-CD1 4.17Å
159	R	46.5	Very low	41.3	Very low	198 Å²	198	106.5 Å²	106.5	75%	0.747	58%	0.576	S	S	*	*			trans	-46.1	122.5	-176.8	-64.5	171.8	179.7	162.1	1.7	108.7	D157 G161 D162	D157-R159 PolarHBondContact O-N 3.2Å; D157-R159 VanDerWaalsContact O-N 3.12Å; R159-G161 PolarHBondContact O-N 3.32Å; R159-D162 PolarHBondContact O-N 3.05Å
160	E	43.6	Very low	42.3	Very low	131 Å²	131	97.6 Å²	97.6	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-45.4	-27.8	-178.6	-166	-169	146.1	0	0	113.9	P158 K164	P158-E160 PolarHBondContact O-N 2.91Å; P158-E160 VanDerWaalsContact O-N 3.11Å; E160-K164 PolarHBondContact O-N 3.29Å; E160-K164 IonicContact OE1-NZ 2.7Å; E160-K164 PolarHBondContact OE1-NZ 3.24Å
161	G	42.3	Very low	43.5	Very low	39 Å²	39	95 Å²	95	40%	0.402	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-33.2	173.8	0	0	0	0	0	115.7	R159 R165	R159-G161 PolarHBondContact O-N 3.32Å; G161-R165 WeakPolarHBondContact O-CB 3.49Å; G161-R165 VanDerWaalsContact O-CG 3.3Å; G161-R165 WeakPolarHBondContact O-CG 3.23Å; G161-R165 PolarHBondContact O-N 3.44Å
162	D	47.7	Very low	44.5	Very low	72 Å²	72	94.6 Å²	94.6	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-73.4	-37.5	-179.6	-65.7	-32.7	0	0	0	110.8	R159 R165 L166	R159-D162 PolarHBondContact O-N 3.05Å; D162-R165 WeakPolarHBondContact O-CB 3.41Å; D162-R165 PolarHBondContact O-N 2.86Å; D162-L166 PolarHBondContact O-N 3.36Å
163	L	45.7	Very low	45.3	Very low	19 Å²	19	96.7 Å²	96.7	10%	0.099	50%	0.495	C	S	.	.	H	α-helix	trans	-67.1	-41.6	173.7	-73.2	167.4	0	0	0	112.4	F5 F6 P38 P158 R165 L166 A167	F5-L163 HydrophobicContact CE1-CB 4.46Å; F6-L163 HydrophobicContact CE1-CD2 4.24Å; F6-L163 HydrophobicContact CE2-CD1 4.19Å; F6-L163 HydrophobicContact CZ-CD1 3.88Å; F6-L163 HydrophobicContact CZ-CD2 3.75Å; F6-L163 HydrophobicContact CZ-CG 4.48Å; P38-L163 HydrophobicContact CG-CD2 3.61Å; P38-L163 HydrophobicContact CG-CG 4.17Å; P158-L163 HydrophobicContact CG-CD1 4.17Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.21Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.48Å
164	K	49.1	Very low	46	Very low	109 Å²	109	90.4 Å²	90.4	47%	0.474	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-36.1	172.9	-77	173.4	173.5	163.1	0	112.3	E160 S168	E160-K164 PolarHBondContact O-N 3.29Å; E160-K164 IonicContact OE1-NZ 2.7Å; E160-K164 PolarHBondContact OE1-NZ 3.24Å; K164-S168 WeakPolarHBondContact O-CB 3.37Å; K164-S168 PolarHBondContact O-N 2.89Å; K164-S168 PolarHBondContact O-OG 3.34Å; K164-S168 VanDerWaalsContact O-OG 3.09Å
165	R	52	Low	46.6	Very low	176 Å²	176	91.8 Å²	91.8	66%	0.664	46%	0.464	S	S	*	.	H	α-helix	trans	-65.7	-42.8	173.8	-79.9	176.2	174.8	-142.8	-0.5	111.5	G161 D162 L163 S168 K169	G161-R165 WeakPolarHBondContact O-CB 3.49Å; G161-R165 VanDerWaalsContact O-CG 3.3Å; G161-R165 WeakPolarHBondContact O-CG 3.23Å; G161-R165 PolarHBondContact O-N 3.44Å; D162-R165 WeakPolarHBondContact O-CB 3.41Å; D162-R165 PolarHBondContact O-N 2.86Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.35Å; R165-S168 PolarHBondContact O-N 3.12Å; R165-S168 PolarHBondContact O-OG 2.98Å; R165-K169 WeakPolarHBondContact O-CB 3.5Å; R165-K169 WeakPolarHBondContact O-CG 3.2Å; R165-K169 PolarHBondContact O-N 3.43Å
166	L	51.4	Low	47.1	Very low	22 Å²	22	93.8 Å²	93.8	12%	0.115	46%	0.461	C	S	.	.	H	α-helix	trans	-63	-48.7	174.5	-84.1	164.2	0	0	0	112.1	E36 P38 D162 L163 S168 K169 L170	E36-L166 HydrophobicContact CB-CD2 3.73Å; E36-L166 HydrophobicContact CG-CD2 4.5Å; E36-L166 WeakPolarHBondContact O-CD1 3.33Å; E36-L166 VanDerWaalsContact O-CD2 3.3Å; E36-L166 WeakPolarHBondContact O-CD2 3.45Å; E36-L166 WeakPolarHBondContact OE2-CD2 3.12Å; P38-L166 HydrophobicContact CB-CD1 4.5Å; P38-L166 HydrophobicContact CG-CD1 4.14Å; D162-L166 PolarHBondContact O-N 3.36Å; L163-L166 PolarHBondContact O-N 3.21Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.28Å; L166-K169 WeakPolarHBondContact O-CB 3.45Å; L166-K169 PolarHBondContact O-N 3.16Å; L166-K169 VanDerWaalsContact O-N 3.16Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.88Å
167	A	50.7	Low	47.2	Very low	25 Å²	25	88.4 Å²	88.4	21%	0.207	44%	0.436	C	S	.	.	H	α-helix	trans	-57.6	-42.9	176.8	0	0	0	0	0	112	F9 L163 L170 A171	F9-A167 HydrophobicContact CD2-CB 4.21Å; F9-A167 HydrophobicContact CE2-CB 4.02Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.48Å; A167-L170 PolarHBondContact O-N 3.02Å; A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.02Å; A167-A171 PolarHBondContact O-N 2.99Å
168	S	54	Low	47.2	Very low	71 Å²	71	89.9 Å²	89.9	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-70.2	-35.6	176.7	63.7	0	0	0	0	113.7	K164 R165 L166 M172	K164-S168 WeakPolarHBondContact O-CB 3.37Å; K164-S168 PolarHBondContact O-N 2.89Å; K164-S168 PolarHBondContact O-OG 3.34Å; K164-S168 VanDerWaalsContact O-OG 3.09Å; R165-S168 PolarHBondContact O-N 3.12Å; R165-S168 PolarHBondContact O-OG 2.98Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.28Å; S168-M172 WeakPolarHBondContact O-CB 3.38Å; S168-M172 PolarHBondContact O-N 3.11Å
169	K	52.1	Low	46.6	Very low	115 Å²	115	90.2 Å²	90.2	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-47.3	171.7	-84.4	-179.5	171.2	-172.1	0	111.3	R165 L166 M172 L173	R165-K169 WeakPolarHBondContact O-CB 3.5Å; R165-K169 WeakPolarHBondContact O-CG 3.2Å; R165-K169 PolarHBondContact O-N 3.43Å; L166-K169 WeakPolarHBondContact O-CB 3.45Å; L166-K169 PolarHBondContact O-N 3.16Å; L166-K169 VanDerWaalsContact O-N 3.16Å; K169-M172 CarbonylContact O-C 3.56Å; K169-M172 WeakPolarHBondContact O-CA 2.96Å; K169-M172 WeakPolarHBondContact O-CB 3.19Å; K169-M172 PolarHBondContact O-N 2.73Å; K169-M172 VanDerWaalsContact O-N 3.07Å; K169-L173 WeakPolarHBondContact O-CG 3.49Å; K169-L173 PolarHBondContact O-N 3.49Å
170	L	50.7	Low	46.4	Very low	22 Å²	22	86.4 Å²	86.4	12%	0.115	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-42.3	178.2	-73.4	162.1	0	0	0	111	F9 L33 L166 A167 M172 L173 A174	F9-L170 HydrophobicContact CZ-CD1 3.96Å; L33-L170 HydrophobicContact CD1-CD1 3.34Å; L33-L170 HydrophobicContact CD1-CD2 3.86Å; L33-L170 HydrophobicContact CD1-CG 4.25Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.88Å; A167-L170 PolarHBondContact O-N 3.02Å; L170-M172 VanDerWaalsContact C-N 3.28Å; L170-M172 PolarHBondContact O-N 3.4Å; L170-L173 PolarHBondContact O-N 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.23Å
171	A	52.2	Low	46	Very low	40 Å²	40	86.1 Å²	86.1	33%	0.331	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-34.7	171.9	0	0	0	0	0	112.3	A167 R175	A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.02Å; A167-A171 PolarHBondContact O-N 2.99Å; A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 WeakPolarHBondContact O-CG 3.42Å; A171-R175 PolarHBondContact O-N 3.12Å
172	M	52.2	Low	45.8	Very low	94 Å²	94	91.4 Å²	91.4	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-69.6	-43.9	173.9	-165.4	-149.2	-56.2	0	0	111.7	S168 K169 L170 R175 K176	S168-M172 WeakPolarHBondContact O-CB 3.38Å; S168-M172 PolarHBondContact O-N 3.11Å; K169-M172 CarbonylContact O-C 3.56Å; K169-M172 WeakPolarHBondContact O-CA 2.96Å; K169-M172 WeakPolarHBondContact O-CB 3.19Å; K169-M172 PolarHBondContact O-N 2.73Å; K169-M172 VanDerWaalsContact O-N 3.07Å; L170-M172 VanDerWaalsContact C-N 3.28Å; L170-M172 PolarHBondContact O-N 3.4Å; M172-R175 PolarHBondContact O-N 2.81Å; M172-K176 HydrophobicContact CG-CD 4.01Å; M172-K176 HydrophobicContact CG-CG 4.45Å; M172-K176 VanDerWaalsContact O-CB 3.3Å; M172-K176 WeakPolarHBondContact O-CB 3.47Å; M172-K176 WeakPolarHBondContact O-CG 3.39Å; M172-K176 PolarHBondContact O-N 3.36Å; M172-K176 HydrophobicContact SD-CD 3.91Å; M172-K176 PolarHBondContact SD-NZ 3.28Å
173	L	45.2	Very low	45.2	Very low	104 Å²	104	91.5 Å²	91.5	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-46	178	-73.3	170	0	0	0	110.4	K169 L170 R175 K176 S177	K169-L173 WeakPolarHBondContact O-CG 3.49Å; K169-L173 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 3.24Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 3.48Å; L173-K176 PolarHBondContact O-N 3.37Å; L173-K176 VanDerWaalsContact O-N 3.15Å; L173-S177 WeakPolarHBondContact O-CB 3.33Å; L173-S177 PolarHBondContact O-N 3.16Å; L173-S177 PolarHBondContact O-OG 3.2Å; L173-S177 VanDerWaalsContact O-OG 3.07Å
174	A	45.5	Very low	44.6	Very low	25 Å²	25	100.2 Å²	100.2	21%	0.207	49%	0.486	C	S	.	.	H	α-helix	trans	-58.3	-37.9	172.8	0	0	0	0	0	112.9	F16 L170	F16-A174 HydrophobicContact CE1-CB 3.86Å; F16-A174 HydrophobicContact CE2-CB 4.07Å; F16-A174 HydrophobicContact CZ-CB 3.53Å; L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.23Å
175	R	42.6	Very low	44	Very low	217 Å²	217	100.4 Å²	100.4	82%	0.819	49%	0.492	S	S	*	.	H	α-helix	trans	-78.7	-23.6	176.1	-73.3	177.8	-158.6	-160.5	5.5	114.1	A171 M172 L173	A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 WeakPolarHBondContact O-CG 3.42Å; A171-R175 PolarHBondContact O-N 3.12Å; M172-R175 PolarHBondContact O-N 2.81Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 3.48Å
176	K	41.4	Very low	42.9	Very low	159 Å²	159	99.4 Å²	99.4	69%	0.691	49%	0.493	S	S	*	.	H	α-helix	trans	-97.4	-16.1	-178.4	-80.2	-177.1	175.6	175.8	0	113.9	M172 L173 L178	M172-K176 HydrophobicContact CG-CD 4.01Å; M172-K176 HydrophobicContact CG-CG 4.45Å; M172-K176 VanDerWaalsContact O-CB 3.3Å; M172-K176 WeakPolarHBondContact O-CB 3.47Å; M172-K176 WeakPolarHBondContact O-CG 3.39Å; M172-K176 PolarHBondContact O-N 3.36Å; M172-K176 HydrophobicContact SD-CD 3.91Å; M172-K176 PolarHBondContact SD-NZ 3.28Å; L173-K176 PolarHBondContact O-N 3.37Å; L173-K176 VanDerWaalsContact O-N 3.15Å; K176-L178 VanDerWaalsContact C-N 3.26Å; K176-L178 PolarHBondContact O-N 3.33Å; K176-L178 VanDerWaalsContact O-N 3.16Å
177	S	39.3	Very low	42.2	Very low	43 Å²	43	101.6 Å²	101.6	30%	0.301	50%	0.504	S	S	.	.			trans	-83.6	22.8	-171.3	63.6	0	0	0	0	115.7	L173 S179	L173-S177 WeakPolarHBondContact O-CB 3.33Å; L173-S177 PolarHBondContact O-N 3.16Å; L173-S177 PolarHBondContact O-OG 3.2Å; L173-S177 VanDerWaalsContact O-OG 3.07Å; S177-S179 PolarHBondContact O-N 3.49Å
178	L	39.3	Very low	41.4	Very low	171 Å²	171	106 Å²	106	90%	0.895	52%	0.524	S	S	*	.			trans	-74.5	30.6	177.3	-140.5	102.7	0	0	0	115	K176	K176-L178 VanDerWaalsContact C-N 3.26Å; K176-L178 PolarHBondContact O-N 3.33Å; K176-L178 VanDerWaalsContact O-N 3.16Å
179	S	36.2	Very low	40.3	Very low	43 Å²	43	107.8 Å²	107.8	30%	0.301	53%	0.527	S	S	.	.			trans	-156.5	101.7	159.3	69.9	0	0	0	0	109.2	S177 D181 K182	S177-S179 PolarHBondContact O-N 3.49Å; S179-D181 PolarHBondContact O-N 3.43Å; S179-K182 PolarHBondContact O-N 3.16Å; S179-K182 WeakPolarHBondContact OG-CG 3.2Å
180	L	40.7	Very low	39.5	Very low	117 Å²	117	107.4 Å²	107.4	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-46.8	-26.7	177.5	-126	90	0	0	0	113.3	K182 L183	L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 3.18Å; L180-L183 PolarHBondContact O-N 3.33Å
181	D	36.7	Very low	38.8	Very low	125 Å²	125	111.8 Å²	111.8	67%	0.668	56%	0.558	S	S	*	*	H	α-helix	trans	-66.6	-24.9	179	-64.4	-36.6	0	0	0	114.6	S179	S179-D181 PolarHBondContact O-N 3.43Å
182	K	37.6	Very low	37.8	Very low	151 Å²	151	114.8 Å²	114.8	66%	0.657	58%	0.576	S	S	*	*	H	α-helix	trans	-87.7	-24.1	-179.5	-72.4	-177.7	-177.7	174.2	0	113.6	S179 L180 L185 F186	S179-K182 PolarHBondContact O-N 3.16Å; S179-K182 WeakPolarHBondContact OG-CG 3.2Å; L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 3.18Å; K182-L185 PolarHBondContact O-N 2.97Å; K182-F186 PolarHBondContact O-N 3.37Å; K182-F186 VanDerWaalsContact O-N 3.13Å
183	L	35	Very low	36.7	Very low	74 Å²	74	118.7 Å²	118.7	39%	0.387	59%	0.593	S	S	.	*	H	α-helix	trans	-68.8	-35.6	174.2	-93.3	159.1	0	0	0	111.4	L180 L185 F186 L187	L180-L183 PolarHBondContact O-N 3.33Å; L183-L185 VanDerWaalsContact C-N 3.32Å; L183-L185 PolarHBondContact O-N 3.07Å; L183-F186 PolarHBondContact O-N 3.41Å; L183-L187 HydrophobicContact CD2-CD1 4.49Å; L183-L187 WeakPolarHBondContact O-CD1 3.29Å; L183-L187 PolarHBondContact O-N 3.36Å
184	R	33	Very low	35.9	Very low	202 Å²	202	127.4 Å²	127.4	76%	0.762	62%	0.618	S	S	*	*	H	α-helix	trans	-62	-35.8	172.6	-90.3	-177.6	170.7	177.9	-1	113.6	L188	R184-L188 WeakPolarHBondContact O-CD1 3.36Å
185	L	35.2	Very low	35.5	Very low	112 Å²	112	132.6 Å²	132.6	59%	0.586	64%	0.639	S	S	*	*	H	α-helix	trans	-77.5	-39.2	179.4	-91.6	151.8	0	0	0	112.4	K182 L183 L187 L188 D189	K182-L185 PolarHBondContact O-N 2.97Å; L183-L185 VanDerWaalsContact C-N 3.32Å; L183-L185 PolarHBondContact O-N 3.07Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 2.8Å; L185-L188 PolarHBondContact O-N 3.19Å; L185-D189 PolarHBondContact O-N 3.17Å
186	F	30.7	Very low	35.1	Very low	156 Å²	156	128.1 Å²	128.1	68%	0.684	63%	0.63	S	S	*	*	H	α-helix	trans	-70.1	-29.2	-177.8	-137.8	-89.4	0	0	0	113.2	K182 L183	K182-F186 PolarHBondContact O-N 3.37Å; K182-F186 VanDerWaalsContact O-N 3.13Å; L183-F186 PolarHBondContact O-N 3.41Å
187	L	35.1	Very low	34.7	Very low	68 Å²	68	126.4 Å²	126.4	36%	0.356	63%	0.626	S	S	.	*	H	α-helix	trans	-85.8	-16.3	178.9	-74.3	160.4	0	0	0	114.1	F28 L183 L185 V191	F28-L187 HydrophobicContact CE1-CD1 4.06Å; F28-L187 HydrophobicContact CE2-CD1 4.36Å; F28-L187 HydrophobicContact CZ-CD1 3.42Å; F28-L187 VanDerWaalsContact CZ-CD1 3.42Å; L183-L187 HydrophobicContact CD2-CD1 4.49Å; L183-L187 WeakPolarHBondContact O-CD1 3.29Å; L183-L187 PolarHBondContact O-N 3.36Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 2.8Å; L187-V191 WeakPolarHBondContact O-CG2 3.35Å
188	L	34.7	Very low	34.5	Very low	118 Å²	118	131.3 Å²	131.3	62%	0.618	65%	0.645	S	S	*	*	H	α-helix	trans	-85.5	-25.5	174.6	-85.6	162.8	0	0	0	112.5	R184 L185 C192	R184-L188 WeakPolarHBondContact O-CD1 3.36Å; L185-L188 PolarHBondContact O-N 3.19Å; L188-C192 PolarHBondContact O-SG 3.35Å; L188-C192 VanDerWaalsContact O-SG 3.41Å
189	D	31.4	Very low	34.2	Very low	107 Å²	107	128.8 Å²	128.8	57%	0.572	63%	0.63	S	S	*	*	H	α-helix	trans	-82.5	-36.5	-178.5	-72	-23.6	0	0	0	112.8	L185 V191	L185-D189 PolarHBondContact O-N 3.17Å; D189-V191 PolarHBondContact O-N 2.79Å
190	D	35.3	Very low	34	Very low	108 Å²	108	134.5 Å²	134.5	58%	0.578	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-15.6	-179.2	-100.3	-18.8	0	0	0	114.5
191	V	35.6	Very low	33.6	Very low	113 Å²	113	135.8 Å²	135.8	69%	0.685	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-11.7	176.3	-179.9	0	0	0	0	112.2	L187 D189	L187-V191 WeakPolarHBondContact O-CG2 3.35Å; D189-V191 PolarHBondContact O-N 2.79Å
192	C	31.3	Very low	33.3	Very low	104 Å²	104	136.6 Å²	136.6	70%	0.703	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-9.7	176	-66	0	0	0	0	114.2	L188	L188-C192 PolarHBondContact O-SG 3.35Å; L188-C192 VanDerWaalsContact O-SG 3.41Å
193	E	29.1	Very low	33	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	65%	0.653	S	S	*	*			trans	-112.4	11.3	-178.4	-72.4	-165.1	158.9	0	0	115.4
194	R	29.1	Very low	32.8	Very low	287 Å²	287	141 Å²	141	100%	1.083	68%	0.677	S	S	*	*			trans	-126.2	0	168.6	-77.6	-173.1	-179.4	178.1	4.6	112

Retrieved 194 of 194 residues in 65.5 ms (Link to these results)

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