A0A077YY96_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YY96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 aa.

						>A0A077YY96_TRITR|A0A077YY96
MDILNWVIDPFTAAGDVQLSLLEELIALQKNEHLKATLKCDYHDGRSESMQPLFRIKRFDACKFLVAVEAIRLNEFPYWILQFGAQQIVTVKDSSAENLTNCCKENFDL
					

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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	35.2	Very low	40.8	Very low	190 Å²	190	81.1 Å²	81.1	94%	0.936	41%	0.408	S	S	*	.				0	103.5	0	-160.1	-167.9	-85.3	0	0	106
2	D	42.2	Very low	41.1	Very low	153 Å²	153	81.3 Å²	81.3	82%	0.818	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62.9	138.2	-172.5	-65.6	-44.2	0	0	0	111	L4	D2-L4 PolarHBondContact O-N 2.8Å
3	I	39.4	Very low	41	Very low	70 Å²	70	80.1 Å²	80.1	36%	0.359	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-75.3	117.6	175.6	-37.8	-149.2	0	0	0	105.7	N5 V7 T12 K57	I3-N5 PolarHBondContact O-N 2.77Å; I3-V7 HydrophobicContact CG2-CB 4.18Å; I3-V7 HydrophobicContact CG2-CG1 4.33Å; I3-T12 HydrophobicContact CD1-CG2 4.05Å; I3-K57 HydrophobicContact CD1-CD 3.99Å; I3-K57 HydrophobicContact CG2-CD 4.4Å
4	L	40.9	Very low	40.9	Very low	88 Å²	88	78.7 Å²	78.7	46%	0.461	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.1	132.9	172.1	-66.9	167.9	0	0	0	108.2	D2 W6 V7	D2-L4 PolarHBondContact O-N 2.8Å; L4-W6 HydrophobicContact CB-CD2 4.31Å; L4-W6 HydrophobicContact CB-CG 4.37Å; L4-W6 HydrophobicContact CB-CZ2 4.27Å; L4-W6 HydrophobicContact CD1-CH2 4.44Å; L4-W6 HydrophobicContact CD1-CZ2 3.41Å; L4-W6 VanDerWaalsContact CD1-CZ2 3.41Å; L4-W6 HydrophobicContact CG-CZ2 4.46Å; L4-W6 PolarHBondContact O-N 3.32Å; L4-V7 HydrophobicContact CB-CG2 4.09Å; L4-V7 VanDerWaalsContact O-CB 3.26Å; L4-V7 WeakPolarHBondContact O-CB 3.48Å; L4-V7 PolarHBondContact O-N 2.72Å
5	N	37.5	Very low	41.1	Very low	174 Å²	174	78.7 Å²	78.7	93%	0.93	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.6	-171	-62.7	-19.9	0	0	0	114.8	I3 V7	I3-N5 PolarHBondContact O-N 2.77Å; N5-V7 VanDerWaalsContact C-N 3.32Å
6	W	39.7	Very low	41.3	Very low	101 Å²	101	84 Å²	84	38%	0.383	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.1	176.1	54.8	-100.4	0	0	0	113.5	L4 Y42 L53	L4-W6 HydrophobicContact CB-CD2 4.31Å; L4-W6 HydrophobicContact CB-CG 4.37Å; L4-W6 HydrophobicContact CB-CZ2 4.27Å; L4-W6 HydrophobicContact CD1-CH2 4.44Å; L4-W6 HydrophobicContact CD1-CZ2 3.41Å; L4-W6 VanDerWaalsContact CD1-CZ2 3.41Å; L4-W6 HydrophobicContact CG-CZ2 4.46Å; L4-W6 PolarHBondContact O-N 3.32Å; W6-Y42 HydrophobicContact CD2-CE2 4.09Å; W6-Y42 HydrophobicContact CE3-CE2 4.03Å; W6-Y42 HydrophobicContact CG-CE2 4.34Å; W6-L53 HydrophobicContact CZ3-CB 4.17Å
7	V	41.5	Very low	41.4	Very low	11 Å²	11	80.9 Å²	80.9	7%	0.067	47%	0.466	C	S	.	.			trans	-90.2	106	-179.4	175.3	0	0	0	0	109.4	I3 L4 N5 D9 R55	I3-V7 HydrophobicContact CG2-CB 4.18Å; I3-V7 HydrophobicContact CG2-CG1 4.33Å; L4-V7 HydrophobicContact CB-CG2 4.09Å; L4-V7 VanDerWaalsContact O-CB 3.26Å; L4-V7 WeakPolarHBondContact O-CB 3.48Å; L4-V7 PolarHBondContact O-N 2.72Å; N5-V7 VanDerWaalsContact C-N 3.32Å; V7-D9 PolarHBondContact O-N 2.94Å; V7-D9 VanDerWaalsContact O-N 3.12Å; V7-R55 HydrophobicContact CB-CB 4.41Å; V7-R55 HydrophobicContact CG1-CB 3.55Å; V7-R55 HydrophobicContact CG1-CG 3.76Å; V7-R55 WeakPolarHBondContact CG1-O 3.3Å; V7-R55 HydrophobicContact CG2-CB 4.06Å
8	I	43.3	Very low	41.9	Very low	49 Å²	49	84.5 Å²	84.5	25%	0.251	48%	0.478	S	S	.	.			trans	-73.3	102.2	171.9	-53.3	-179.9	0	0	0	108.1	P10 L38 F54	I8-P10 WeakPolarHBondContact O-CD 3.31Å; I8-L38 HydrophobicContact CD1-CD1 4.33Å; I8-F54 HydrophobicContact CD1-CD1 4.21Å; I8-F54 HydrophobicContact CD1-CE1 3.94Å
9	D	43.9	Very low	42	Very low	18 Å²	18	86.7 Å²	86.7	10%	0.096	49%	0.487	C	S	.	.			trans	-97.3	92.3	165.7	-178.8	5.3	0	0	0	108.8	V7 F11 T12 K57	V7-D9 PolarHBondContact O-N 2.94Å; V7-D9 VanDerWaalsContact O-N 3.12Å; D9-F11 PolarHBondContact O-N 3.23Å; D9-F11 PolarHBondContact OD1-N 3.18Å; D9-T12 WeakPolarHBondContact CB-OG1 3.47Å; D9-T12 PolarHBondContact O-N 3.09Å; D9-T12 PolarHBondContact O-OG1 3.29Å; D9-T12 PolarHBondContact OD1-N 3.18Å; D9-T12 WeakPolarHBondContact OD2-CG2 3.49Å; D9-T12 PolarHBondContact OD2-OG1 3.17Å; D9-K57 HydrophobicContact CB-CB 4.14Å; D9-K57 WeakPolarHBondContact OD2-CB 3.5Å
10	P	41.4	Very low	42	Very low	8 Å²	8	85.9 Å²	85.9	5%	0.052	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.7	179.3	23.4	-32.8	0	0	0	112.7	I8 L21 L25 I56	I8-P10 WeakPolarHBondContact O-CD 3.31Å; P10-L21 HydrophobicContact CB-CD2 3.56Å; P10-L21 WeakPolarHBondContact O-CD1 3.32Å; P10-L21 WeakPolarHBondContact O-CD2 3.38Å; P10-L25 HydrophobicContact CB-CD1 3.96Å; P10-L25 HydrophobicContact CG-CD1 4.19Å; P10-I56 HydrophobicContact CG-CG2 3.98Å
11	F	43.8	Very low	42.2	Very low	30 Å²	30	82.8 Å²	82.8	13%	0.132	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-4.4	-171.4	-52.4	-64.4	0	0	0	114.2	D9 A13 I56 R58 F59 K63	D9-F11 PolarHBondContact O-N 3.23Å; D9-F11 PolarHBondContact OD1-N 3.18Å; F11-A13 PolarHBondContact O-N 3.45Å; F11-I56 HydrophobicContact CD2-CG2 3.65Å; F11-I56 HydrophobicContact CE2-CG2 3.41Å; F11-I56 VanDerWaalsContact CE2-CG2 3.41Å; F11-R58 HydrophobicContact CB-CB 4.4Å; F11-R58 WeakPolarHBondContact CD2-O 3.1Å; F11-R58 WeakPolarHBondContact CE2-O 3.48Å; F11-R58 WeakPolarHBondContact CG-O 3.15Å; F11-F59 AromaticContact CE2-CD1 3.87Å; F11-F59 HydrophobicContact CE2-CD1 3.87Å; F11-F59 AromaticContact CE2-CE1 3.53Å; F11-F59 HydrophobicContact CE2-CE1 3.53Å; F11-F59 HydrophobicContact CE2-CZ 4.14Å; F11-F59 HydrophobicContact CZ-CD1 4.36Å; F11-F59 HydrophobicContact CZ-CE1 4.03Å; F11-K63 HydrophobicContact CD1-CD 3.66Å; F11-K63 HydrophobicContact CD1-CG 4.18Å; F11-K63 HydrophobicContact CE1-CB 4.03Å; F11-K63 HydrophobicContact CE1-CD 3.76Å; F11-K63 HydrophobicContact CE1-CG 3.73Å; F11-K63 HydrophobicContact CE2-CB 4.25Å; F11-K63 HydrophobicContact CG-CD 4.06Å; F11-K63 HydrophobicContact CZ-CB 3.77Å; F11-K63 HydrophobicContact CZ-CD 4.21Å; F11-K63 HydrophobicContact CZ-CG 4.02Å
12	T	43.9	Very low	42.7	Very low	83 Å²	83	77 Å²	77	51%	0.509	44%	0.442	S	S	.	.	S	Bend	trans	-64.7	-29.8	173.6	4.3	0	0	0	0	112.3	I3 D9	I3-T12 HydrophobicContact CD1-CG2 4.05Å; D9-T12 WeakPolarHBondContact CB-OG1 3.47Å; D9-T12 PolarHBondContact O-N 3.09Å; D9-T12 PolarHBondContact O-OG1 3.29Å; D9-T12 PolarHBondContact OD1-N 3.18Å; D9-T12 WeakPolarHBondContact OD2-CG2 3.49Å; D9-T12 PolarHBondContact OD2-OG1 3.17Å
13	A	39.9	Very low	43.1	Very low	66 Å²	66	75.8 Å²	75.8	55%	0.545	43%	0.432	S	S	.	.	S	Bend	trans	-96.1	111.3	173.6	0	0	0	0	0	109.6	F11	F11-A13 PolarHBondContact O-N 3.45Å
14	A	40.2	Very low	43.4	Very low	61 Å²	61	78 Å²	78	50%	0.504	44%	0.44	S	S	.	.			trans	85.6	116.3	155.6	0	0	0	0	0	118.5	D16 V17	A14-D16 PolarHBondContact O-N 2.85Å; A14-V17 HydrophobicContact CB-CB 4.43Å; A14-V17 HydrophobicContact CB-CG2 3.39Å; A14-V17 PolarHBondContact O-N 3.19Å
15	G	43.8	Very low	43.8	Very low	79 Å²	79	75.6 Å²	75.6	81%	0.814	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	17.7	172.6	0	0	0	0	0	115.8
16	D	44.6	Very low	44.3	Very low	163 Å²	163	70 Å²	70	87%	0.872	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	9.6	175.5	-85.9	-44.3	0	0	0	113.6	A14 Q18	A14-D16 PolarHBondContact O-N 2.85Å; D16-Q18 PolarHBondContact O-N 3.48Å
17	V	42	Very low	44.8	Very low	32 Å²	32	67.9 Å²	67.9	19%	0.194	40%	0.401	C	S	.	.			trans	-96.4	89.7	-174.5	-167.7	0	0	0	0	111.3	A14 S20 L21	A14-V17 HydrophobicContact CB-CB 4.43Å; A14-V17 HydrophobicContact CB-CG2 3.39Å; A14-V17 PolarHBondContact O-N 3.19Å; V17-S20 WeakPolarHBondContact CG1-OG 3.31Å; V17-L21 HydrophobicContact CB-CB 4.4Å; V17-L21 HydrophobicContact CB-CD1 3.51Å; V17-L21 HydrophobicContact CB-CG 4.37Å; V17-L21 HydrophobicContact CG1-CB 3.51Å; V17-L21 HydrophobicContact CG1-CD1 3.41Å; V17-L21 VanDerWaalsContact CG1-CD1 3.41Å; V17-L21 HydrophobicContact CG1-CG 3.72Å; V17-L21 HydrophobicContact CG2-CD1 4.15Å
18	Q	50.8	Low	45.1	Very low	145 Å²	145	69.9 Å²	69.9	68%	0.678	41%	0.411	S	S	*	.	S	Bend	trans	-98.4	-19.4	169.1	-81.1	-179.2	-10.3	0	0	113.7	D16	D16-Q18 PolarHBondContact O-N 3.48Å
19	L	44.6	Very low	45.2	Very low	126 Å²	126	69.5 Å²	69.5	66%	0.66	41%	0.408	S	S	*	.	S	Bend	trans	-117.4	-48	-172.5	-110.5	141.5	0	0	0	114.3	L21 L22 E23	L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.01Å; L19-L22 WeakPolarHBondContact O-CB 3.29Å; L19-L22 PolarHBondContact O-N 3.13Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L19-E23 PolarHBondContact O-N 3.28Å; L19-E23 VanDerWaalsContact O-N 3.13Å
20	S	41.9	Very low	45.3	Very low	71 Å²	71	76.5 Å²	76.5	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-68.5	-30.3	-177.8	61.2	0	0	0	0	112.9	V17 E23 E24	V17-S20 WeakPolarHBondContact CG1-OG 3.31Å; S20-E23 PolarHBondContact O-N 3.06Å; S20-E24 WeakPolarHBondContact O-CB 3.44Å; S20-E24 PolarHBondContact O-N 3.43Å
21	L	45.2	Very low	45.7	Very low	21 Å²	21	79.2 Å²	79.2	11%	0.11	45%	0.452	C	S	.	.	H	α-helix	trans	-72.1	-29.1	173.7	-100.5	145.4	0	0	0	113.1	P10 V17 L19 E24 L25	P10-L21 HydrophobicContact CB-CD2 3.56Å; P10-L21 WeakPolarHBondContact O-CD1 3.32Å; P10-L21 WeakPolarHBondContact O-CD2 3.38Å; V17-L21 HydrophobicContact CB-CB 4.4Å; V17-L21 HydrophobicContact CB-CD1 3.51Å; V17-L21 HydrophobicContact CB-CG 4.37Å; V17-L21 HydrophobicContact CG1-CB 3.51Å; V17-L21 HydrophobicContact CG1-CD1 3.41Å; V17-L21 VanDerWaalsContact CG1-CD1 3.41Å; V17-L21 HydrophobicContact CG1-CG 3.72Å; V17-L21 HydrophobicContact CG2-CD1 4.15Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.01Å; L21-E24 PolarHBondContact O-N 3.2Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 2.84Å
22	L	45.8	Very low	46.2	Very low	67 Å²	67	83.6 Å²	83.6	35%	0.351	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-46.2	170.5	-175.3	75.6	0	0	0	109.4	L19 E24 L25 I26 V66	L19-L22 WeakPolarHBondContact O-CB 3.29Å; L19-L22 PolarHBondContact O-N 3.13Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 2.72Å; L22-I26 HydrophobicContact CD2-CD1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.85Å; L22-I26 WeakPolarHBondContact O-CB 3.46Å; L22-I26 WeakPolarHBondContact O-CD1 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 3.01Å; L22-V66 HydrophobicContact CD1-CG1 3.43Å; L22-V66 VanDerWaalsContact CD1-CG1 3.43Å
23	E	50.1	Low	46.5	Very low	128 Å²	128	87 Å²	87	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-38.6	175.8	-67.7	-175.5	157.3	0	0	112.2	L19 S20 I26 A27	L19-E23 PolarHBondContact O-N 3.28Å; L19-E23 VanDerWaalsContact O-N 3.13Å; S20-E23 PolarHBondContact O-N 3.06Å; E23-I26 CarbonylContact O-C 3.54Å; E23-I26 PolarHBondContact O-N 3.17Å; E23-A27 VanDerWaalsContact O-CB 3.24Å; E23-A27 WeakPolarHBondContact O-CB 3.33Å; E23-A27 PolarHBondContact O-N 3.43Å
24	E	47.7	Very low	46.7	Very low	117 Å²	117	87 Å²	87	55%	0.547	47%	0.473	S	S	.	.	H	α-helix	trans	-68.3	-41.3	178.3	-159.7	171.8	-150.9	0	0	111.5	S20 L21 L22 A27 L28	S20-E24 WeakPolarHBondContact O-CB 3.44Å; S20-E24 PolarHBondContact O-N 3.43Å; L21-E24 PolarHBondContact O-N 3.2Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.46Å; E24-A27 PolarHBondContact O-N 3.38Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 PolarHBondContact O-N 2.8Å
25	L	48	Very low	47	Very low	37 Å²	37	86.8 Å²	86.8	19%	0.194	46%	0.461	C	S	.	.	H	α-helix	trans	-60.6	-46.4	169	-92.9	159	0	0	0	111.1	P10 L21 L22 A27 L28 Q29	P10-L25 HydrophobicContact CB-CD1 3.96Å; P10-L25 HydrophobicContact CG-CD1 4.19Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 2.84Å; L22-L25 PolarHBondContact O-N 2.72Å; L25-A27 VanDerWaalsContact C-N 3.28Å; L25-A27 PolarHBondContact O-N 2.94Å; L25-L28 PolarHBondContact O-N 2.86Å; L25-Q29 VanDerWaalsContact O-CB 3.31Å; L25-Q29 WeakPolarHBondContact O-CB 3.28Å; L25-Q29 WeakPolarHBondContact O-CG 3.45Å; L25-Q29 PolarHBondContact O-N 3.39Å
26	I	48.3	Very low	47.1	Very low	58 Å²	58	85.3 Å²	85.3	30%	0.297	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-37.8	176.3	-70	166.1	0	0	0	110.8	L22 E23 Q29 K30	L22-I26 HydrophobicContact CD2-CD1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.85Å; L22-I26 WeakPolarHBondContact O-CB 3.46Å; L22-I26 WeakPolarHBondContact O-CD1 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 3.01Å; E23-I26 CarbonylContact O-C 3.54Å; E23-I26 PolarHBondContact O-N 3.17Å; I26-Q29 CarbonylContact O-C 3.59Å; I26-Q29 WeakPolarHBondContact O-CB 3.47Å; I26-Q29 PolarHBondContact O-N 2.92Å; I26-K30 HydrophobicContact CG2-CD 4.13Å; I26-K30 HydrophobicContact CG2-CG 4.45Å; I26-K30 WeakPolarHBondContact O-CB 3.39Å; I26-K30 WeakPolarHBondContact O-CG 3.38Å; I26-K30 PolarHBondContact O-N 3.34Å
27	A	50.1	Low	46.8	Very low	55 Å²	55	81 Å²	81	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-69.4	-44.7	178.6	0	0	0	0	0	111.1	E23 E24 L25 Q29 K30 N31	E23-A27 VanDerWaalsContact O-CB 3.24Å; E23-A27 WeakPolarHBondContact O-CB 3.33Å; E23-A27 PolarHBondContact O-N 3.43Å; E24-A27 PolarHBondContact O-N 3.38Å; L25-A27 VanDerWaalsContact C-N 3.28Å; L25-A27 PolarHBondContact O-N 2.94Å; A27-Q29 VanDerWaalsContact C-N 3.26Å; A27-Q29 PolarHBondContact O-N 2.96Å; A27-K30 PolarHBondContact O-N 3.08Å; A27-N31 VanDerWaalsContact O-CB 3.31Å; A27-N31 WeakPolarHBondContact O-CB 3.47Å; A27-N31 PolarHBondContact O-N 3.35Å
28	L	47.3	Very low	46.5	Very low	54 Å²	54	82.8 Å²	82.8	28%	0.283	43%	0.428	S	S	.	.	H	α-helix	trans	-56.4	-41	169.1	-86.7	153.5	0	0	0	111.2	E24 L25 N31 L34	E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 PolarHBondContact O-N 2.8Å; L25-L28 PolarHBondContact O-N 2.86Å; L28-N31 PolarHBondContact O-N 3.15Å; L28-L34 HydrophobicContact CD2-CB 4.3Å; L28-L34 HydrophobicContact CD2-CD1 3.75Å; L28-L34 HydrophobicContact CD2-CD2 4.35Å; L28-L34 HydrophobicContact CD2-CG 4.36Å; L28-L34 HydrophobicContact CG-CD1 4.44Å
29	Q	46.6	Very low	45.8	Very low	40 Å²	40	81.4 Å²	81.4	19%	0.187	42%	0.42	C	S	.	.	H	α-helix	trans	-69.8	-31.7	177.6	-72.8	164.8	-0	0	0	113.8	L25 I26 A27 K35 N74	L25-Q29 VanDerWaalsContact O-CB 3.31Å; L25-Q29 WeakPolarHBondContact O-CB 3.28Å; L25-Q29 WeakPolarHBondContact O-CG 3.45Å; L25-Q29 PolarHBondContact O-N 3.39Å; I26-Q29 CarbonylContact O-C 3.59Å; I26-Q29 WeakPolarHBondContact O-CB 3.47Å; I26-Q29 PolarHBondContact O-N 2.92Å; A27-Q29 VanDerWaalsContact C-N 3.26Å; A27-Q29 PolarHBondContact O-N 2.96Å; Q29-K35 WeakPolarHBondContact O-CE 3.42Å; Q29-K35 PolarHBondContact O-NZ 3.45Å; Q29-N74 PolarHBondContact NE2-ND2 3.41Å
30	K	45.5	Very low	45	Very low	165 Å²	165	79.2 Å²	79.2	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-81	-20.9	175.7	-75.9	178.1	179.8	177.6	0	112.6	I26 A27 E32	I26-K30 HydrophobicContact CG2-CD 4.13Å; I26-K30 HydrophobicContact CG2-CG 4.45Å; I26-K30 WeakPolarHBondContact O-CB 3.39Å; I26-K30 WeakPolarHBondContact O-CG 3.38Å; I26-K30 PolarHBondContact O-N 3.34Å; A27-K30 PolarHBondContact O-N 3.08Å; K30-E32 PolarHBondContact O-N 3.22Å
31	N	49	Very low	44.5	Very low	65 Å²	65	82 Å²	82	35%	0.348	42%	0.424	S	S	.	.			trans	-87.4	91.8	-176.3	-167.2	-33.3	0	0	0	110.8	A27 L28 H33 L34 K35	A27-N31 VanDerWaalsContact O-CB 3.31Å; A27-N31 WeakPolarHBondContact O-CB 3.47Å; A27-N31 PolarHBondContact O-N 3.35Å; L28-N31 PolarHBondContact O-N 3.15Å; N31-H33 PolarHBondContact O-N 3.11Å; N31-H33 WeakPolarHBondContact OD1-CB 3.05Å; N31-H33 PolarHBondContact OD1-N 3.47Å; N31-H33 VanDerWaalsContact OD1-N 3.13Å; N31-L34 HydrophobicContact CB-CB 4.11Å; N31-L34 HydrophobicContact CB-CD1 3.84Å; N31-L34 HydrophobicContact CB-CG 4.29Å; N31-L34 PolarHBondContact O-N 3.1Å; N31-L34 PolarHBondContact OD1-N 2.66Å; N31-L34 VanDerWaalsContact OD1-N 3.13Å; N31-K35 PolarHBondContact O-N 2.9Å; N31-K35 VanDerWaalsContact O-N 3.13Å
32	E	55.5	Low	43.9	Very low	122 Å²	122	84.1 Å²	84.1	57%	0.57	43%	0.431	S	S	*	.	H	α-helix	trans	-55.4	-31.5	176.3	-70.8	-60.3	137.5	0	0	113.2	K30 K35 A36	K30-E32 PolarHBondContact O-N 3.22Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 2.82Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 3.12Å; E32-A36 PolarHBondContact O-N 2.99Å
33	H	49.2	Very low	43.1	Very low	156 Å²	156	88.2 Å²	88.2	72%	0.722	45%	0.448	S	S	*	.	H	α-helix	trans	-66.4	-43.4	175.5	-78.5	-75.9	0	0	0	111.8	N31 K35 A36 T37	N31-H33 PolarHBondContact O-N 3.11Å; N31-H33 WeakPolarHBondContact OD1-CB 3.05Å; N31-H33 PolarHBondContact OD1-N 3.47Å; N31-H33 VanDerWaalsContact OD1-N 3.13Å; H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 3.17Å; H33-A36 PolarHBondContact O-N 3.26Å; H33-A36 VanDerWaalsContact O-N 3.17Å; H33-T37 PolarHBondContact O-N 2.99Å; H33-T37 PolarHBondContact O-OG1 3.29Å; H33-T37 VanDerWaalsContact O-OG1 3.08Å
34	L	44.3	Very low	42.4	Very low	66 Å²	66	90.1 Å²	90.1	35%	0.346	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.6	-80.8	163.5	0	0	0	111.5	L28 N31 A36 T37 L38	L28-L34 HydrophobicContact CD2-CB 4.3Å; L28-L34 HydrophobicContact CD2-CD1 3.75Å; L28-L34 HydrophobicContact CD2-CD2 4.35Å; L28-L34 HydrophobicContact CD2-CG 4.36Å; L28-L34 HydrophobicContact CG-CD1 4.44Å; N31-L34 HydrophobicContact CB-CB 4.11Å; N31-L34 HydrophobicContact CB-CD1 3.84Å; N31-L34 HydrophobicContact CB-CG 4.29Å; N31-L34 PolarHBondContact O-N 3.1Å; N31-L34 PolarHBondContact OD1-N 2.66Å; N31-L34 VanDerWaalsContact OD1-N 3.13Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 2.92Å; L34-T37 PolarHBondContact O-N 2.92Å; L34-L38 WeakPolarHBondContact O-CB 3.39Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.05Å
35	K	47.4	Very low	41.7	Very low	56 Å²	56	87.1 Å²	87.1	24%	0.243	46%	0.463	C	S	.	.	H	α-helix	trans	-58	-44.4	172.3	-67.3	-178.1	-175	166	0	111.8	Q29 N31 E32 H33 K39	Q29-K35 WeakPolarHBondContact O-CE 3.42Å; Q29-K35 PolarHBondContact O-NZ 3.45Å; N31-K35 PolarHBondContact O-N 2.9Å; N31-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 2.82Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 3.12Å; H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 3.17Å; K35-K39 WeakPolarHBondContact O-CG 3.35Å; K35-K39 PolarHBondContact O-N 3.48Å; K35-K39 VanDerWaalsContact O-N 3.08Å
36	A	44.4	Very low	41.1	Very low	47 Å²	47	97.4 Å²	97.4	39%	0.388	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-45.3	179.6	0	0	0	0	0	111.5	E32 H33 L34 L38 K39 C40	E32-A36 PolarHBondContact O-N 2.99Å; H33-A36 PolarHBondContact O-N 3.26Å; H33-A36 VanDerWaalsContact O-N 3.17Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 2.92Å; A36-L38 PolarHBondContact O-N 3.49Å; A36-K39 WeakPolarHBondContact O-CB 3.35Å; A36-K39 PolarHBondContact O-N 2.83Å; A36-K39 VanDerWaalsContact O-N 3.15Å; A36-C40 WeakPolarHBondContact O-CB 2.89Å; A36-C40 PolarHBondContact O-N 3.5Å; A36-C40 PolarHBondContact O-SG 2.9Å
37	T	38.3	Very low	40.3	Very low	72 Å²	72	97.6 Å²	97.6	44%	0.442	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-43.4	177.7	-55.1	0	0	0	0	111.8	H33 L34 K39 C40 D41	H33-T37 PolarHBondContact O-N 2.99Å; H33-T37 PolarHBondContact O-OG1 3.29Å; H33-T37 VanDerWaalsContact O-OG1 3.08Å; L34-T37 PolarHBondContact O-N 2.92Å; T37-K39 VanDerWaalsContact C-N 3.27Å; T37-K39 PolarHBondContact O-N 3.32Å; T37-C40 PolarHBondContact O-N 3.19Å; T37-C40 VanDerWaalsContact O-N 3.11Å; T37-D41 PolarHBondContact O-N 3.1Å
38	L	37	Very low	39.6	Very low	70 Å²	70	105.1 Å²	105.1	37%	0.366	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-33	175.4	-72.5	167.7	0	0	0	112.6	I8 L34 A36	I8-L38 HydrophobicContact CD1-CD1 4.33Å; L34-L38 WeakPolarHBondContact O-CB 3.39Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.05Å; A36-L38 PolarHBondContact O-N 3.49Å
39	K	34.6	Very low	39.1	Very low	117 Å²	117	107.2 Å²	107.2	51%	0.509	55%	0.55	S	S	.	*	H	α-helix	trans	-70.6	-42.3	170.8	-76.6	178.3	178.1	-179.9	0	111.9	K35 A36 T37 Y42 H43	K35-K39 WeakPolarHBondContact O-CG 3.35Å; K35-K39 PolarHBondContact O-N 3.48Å; K35-K39 VanDerWaalsContact O-N 3.08Å; A36-K39 WeakPolarHBondContact O-CB 3.35Å; A36-K39 PolarHBondContact O-N 2.83Å; A36-K39 VanDerWaalsContact O-N 3.15Å; T37-K39 VanDerWaalsContact C-N 3.27Å; T37-K39 PolarHBondContact O-N 3.32Å; K39-Y42 WeakPolarHBondContact O-CB 3.3Å; K39-Y42 PolarHBondContact O-N 3.4Å; K39-H43 PolarHBondContact O-CD2 3.4Å
40	C	28.9	Very low	38.5	Very low	80 Å²	80	110 Å²	110	54%	0.541	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-43.7	-176.1	-73.2	0	0	0	0	112.9	A36 T37 Y42 H43	A36-C40 WeakPolarHBondContact O-CB 2.89Å; A36-C40 PolarHBondContact O-N 3.5Å; A36-C40 PolarHBondContact O-SG 2.9Å; T37-C40 PolarHBondContact O-N 3.19Å; T37-C40 VanDerWaalsContact O-N 3.11Å; C40-Y42 PolarHBondContact O-N 2.76Å; C40-Y42 VanDerWaalsContact O-N 3.1Å; C40-H43 PolarHBondContact O-N 2.71Å
41	D	32.2	Very low	38.3	Very low	129 Å²	129	106.2 Å²	106.2	69%	0.69	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	178.1	-71.6	-19.9	0	0	0	112.4	T37	T37-D41 PolarHBondContact O-N 3.1Å
42	Y	30.8	Very low	38	Very low	66 Å²	66	105 Å²	105	26%	0.259	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.2	174.9	-128.7	-91.5	0	0	0	113.7	W6 K39 C40 M50	W6-Y42 HydrophobicContact CD2-CE2 4.09Å; W6-Y42 HydrophobicContact CE3-CE2 4.03Å; W6-Y42 HydrophobicContact CG-CE2 4.34Å; K39-Y42 WeakPolarHBondContact O-CB 3.3Å; K39-Y42 PolarHBondContact O-N 3.4Å; C40-Y42 PolarHBondContact O-N 2.76Å; C40-Y42 VanDerWaalsContact O-N 3.1Å; Y42-M50 HydrophobicContact CD1-CB 4.24Å; Y42-M50 HydrophobicContact CE1-CB 3.97Å; Y42-M50 HydrophobicContact CE1-CG 4.35Å; Y42-M50 HydrophobicContact CE1-SD 4.05Å
43	H	30.1	Very low	37.4	Very low	153 Å²	153	101.2 Å²	101.2	71%	0.708	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.7	-176.6	-84.4	-63.7	0	0	0	114.4	K39 C40 G45	K39-H43 PolarHBondContact O-CD2 3.4Å; C40-H43 PolarHBondContact O-N 2.71Å; H43-G45 PolarHBondContact O-N 3.1Å
44	D	35	Very low	37.1	Very low	167 Å²	167	95.8 Å²	95.8	89%	0.893	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	7.1	-175.6	-98.1	-7.2	0	0	0	115.1
45	G	33.1	Very low	37.1	Very low	54 Å²	54	94.5 Å²	94.5	56%	0.557	49%	0.493	S	S	*	.	S	Bend	trans	-137.4	73.1	-177.2	0	0	0	0	0	114.1	H43 S47	H43-G45 PolarHBondContact O-N 3.1Å; G45-S47 PolarHBondContact O-N 3.01Å
46	R	34.9	Very low	37.1	Very low	254 Å²	254	92.4 Å²	92.4	96%	0.958	49%	0.485	S	S	*	.	S	Bend	trans	28	75.3	157.9	-64.2	-173.3	-175.1	-172.5	1.6	115.9
47	S	32.7	Very low	37.1	Very low	62 Å²	62	91.2 Å²	91.2	43%	0.434	47%	0.471	S	S	.	.			trans	-161.7	98.1	155	-163.6	0	0	0	0	109.9	G45 S49 M50	G45-S47 PolarHBondContact O-N 3.01Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-M50 PolarHBondContact O-N 3.21Å
48	E	35.3	Very low	37.4	Very low	212 Å²	212	95.7 Å²	95.7	99%	0.991	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	22	-178.7	-68.2	-178.6	146.9	0	0	114.5
49	S	37	Very low	38	Very low	98 Å²	98	93.6 Å²	93.6	69%	0.685	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	10.7	175.6	59.8	0	0	0	0	114.7	S47 Q51	S47-S49 PolarHBondContact O-N 3.24Å; S49-Q51 PolarHBondContact O-N 2.85Å; S49-Q51 VanDerWaalsContact O-N 3.09Å
50	M	33.6	Very low	38.8	Very low	100 Å²	100	91.2 Å²	91.2	49%	0.493	46%	0.461	S	S	.	.			trans	-85.6	93.3	-175	-104.3	173.1	146.7	0	0	112.1	Y42 S47	Y42-M50 HydrophobicContact CD1-CB 4.24Å; Y42-M50 HydrophobicContact CE1-CB 3.97Å; Y42-M50 HydrophobicContact CE1-CG 4.35Å; Y42-M50 HydrophobicContact CE1-SD 4.05Å; S47-M50 PolarHBondContact O-N 3.21Å
51	Q	41.3	Very low	39.8	Very low	84 Å²	84	89.8 Å²	89.8	39%	0.393	46%	0.455	S	S	.	.			trans	-69.5	151.1	169.9	-66.8	175.7	-13.7	0	0	110.1	S49 L53 P77 Y78	S49-Q51 PolarHBondContact O-N 2.85Å; S49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-L53 WeakPolarHBondContact O-CD1 3.44Å; Q51-L53 PolarHBondContact O-N 2.92Å; Q51-P77 HydrophobicContact CB-CG 4.23Å; Q51-P77 VanDerWaalsContact CD-CG 3.47Å; Q51-P77 HydrophobicContact CG-CG 4.27Å; Q51-Y78 HydrophobicContact CB-CD2 4.45Å
52	P	41.7	Very low	40.5	Very low	39 Å²	39	87.7 Å²	87.7	25%	0.253	45%	0.449	S	S	.	.			trans	-58.7	108.9	-168.1	21.2	-32.5	0	0	0	111.7	F54 F76	P52-F54 HydrophobicContact CB-CD2 4.45Å; P52-F54 HydrophobicContact CB-CE2 3.93Å; P52-F54 HydrophobicContact CG-CE2 4.48Å; P52-F54 PolarHBondContact O-N 3.26Å; P52-F76 HydrophobicContact CG-CD1 3.64Å; P52-F76 HydrophobicContact CG-CE1 3.73Å; P52-F76 HydrophobicContact CG-CG 4.38Å
53	L	42.8	Very low	41.5	Very low	43 Å²	43	87 Å²	87	23%	0.225	45%	0.447	C	S	.	.			trans	-83.5	96.5	172.2	-102.4	72.1	0	0	0	108.7	W6 Q51 I80	W6-L53 HydrophobicContact CZ3-CB 4.17Å; Q51-L53 WeakPolarHBondContact O-CD1 3.44Å; Q51-L53 PolarHBondContact O-N 2.92Å; L53-I80 HydrophobicContact CD2-CD1 3.25Å; L53-I80 HydrophobicContact CD2-CG1 4.04Å; L53-I80 HydrophobicContact CG-CD1 3.67Å; L53-I80 HydrophobicContact CG-CG1 3.91Å
54	F	44.3	Very low	42.8	Very low	43 Å²	43	79.9 Å²	79.9	19%	0.189	41%	0.414	C	S	.	.			trans	-79	123.3	162.1	-64.6	-83.8	0	0	0	108.3	I8 P52 F76 W79 I80	I8-F54 HydrophobicContact CD1-CD1 4.21Å; I8-F54 HydrophobicContact CD1-CE1 3.94Å; P52-F54 HydrophobicContact CB-CD2 4.45Å; P52-F54 HydrophobicContact CB-CE2 3.93Å; P52-F54 HydrophobicContact CG-CE2 4.48Å; P52-F54 PolarHBondContact O-N 3.26Å; F54-F76 HydrophobicContact CE2-CD2 4Å; F54-F76 AromaticContact CE2-CE2 3.76Å; F54-F76 HydrophobicContact CE2-CE2 3.76Å; F54-F76 HydrophobicContact CE2-CZ 4.2Å; F54-F76 HydrophobicContact CZ-CE2 4.38Å; F54-W79 HydrophobicContact CB-CE3 3.57Å; F54-W79 HydrophobicContact CB-CH2 4.46Å; F54-W79 HydrophobicContact CB-CZ3 3.43Å; F54-W79 VanDerWaalsContact CB-CZ3 3.43Å; F54-W79 HydrophobicContact CD2-CE3 4.06Å; F54-W79 AromaticContact CD2-CH2 3.84Å; F54-W79 HydrophobicContact CD2-CH2 3.84Å; F54-W79 HydrophobicContact CD2-CZ2 4.46Å; F54-W79 AromaticContact CD2-CZ3 3.61Å; F54-W79 HydrophobicContact CD2-CZ3 3.61Å; F54-W79 HydrophobicContact CE2-CH2 4.41Å; F54-W79 HydrophobicContact CG-CE3 4.17Å; F54-W79 HydrophobicContact CG-CH2 4.26Å; F54-W79 AromaticContact CG-CZ3 3.66Å; F54-W79 HydrophobicContact CG-CZ3 3.66Å; F54-I80 CarbonylContact O-C 3.54Å; F54-I80 PolarHBondContact O-N 2.84Å
55	R	42.9	Very low	43.7	Very low	38 Å²	38	77.4 Å²	77.4	14%	0.143	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.3	174.8	172.3	-177.8	-174.2	177.3	7.1	109.6	V7 I80 Q82	V7-R55 HydrophobicContact CB-CB 4.41Å; V7-R55 HydrophobicContact CG1-CB 3.55Å; V7-R55 HydrophobicContact CG1-CG 3.76Å; V7-R55 WeakPolarHBondContact CG1-O 3.3Å; V7-R55 HydrophobicContact CG2-CB 4.06Å; R55-I80 VanDerWaalsContact CA-O 3.3Å; R55-I80 WeakPolarHBondContact CA-O 2.95Å; R55-Q82 HydrophobicContact CG-CB 4.47Å
56	I	48.4	Very low	44.7	Very low	12 Å²	12	77.4 Å²	77.4	6%	0.062	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.9	178.3	-58.1	168.7	0	0	0	108	P10 F11 F59 A67 Q82	P10-I56 HydrophobicContact CG-CG2 3.98Å; F11-I56 HydrophobicContact CD2-CG2 3.65Å; F11-I56 HydrophobicContact CE2-CG2 3.41Å; F11-I56 VanDerWaalsContact CE2-CG2 3.41Å; I56-F59 HydrophobicContact CB-CE2 3.66Å; I56-F59 HydrophobicContact CB-CZ 3.58Å; I56-F59 HydrophobicContact CD1-CZ 3.96Å; I56-F59 HydrophobicContact CG1-CZ 4.37Å; I56-F59 HydrophobicContact CG2-CD2 4.33Å; I56-F59 HydrophobicContact CG2-CE1 3.84Å; I56-F59 HydrophobicContact CG2-CE2 3.44Å; I56-F59 VanDerWaalsContact CG2-CE2 3.44Å; I56-F59 HydrophobicContact CG2-CZ 3.16Å; I56-A67 HydrophobicContact CD1-CB 4.05Å; I56-Q82 CarbonylContact O-C 3.23Å; I56-Q82 WeakPolarHBondContact O-CA 3.26Å; I56-Q82 WeakPolarHBondContact O-CB 3.36Å; I56-Q82 PolarHBondContact O-N 2.72Å
57	K	43.5	Very low	45.9	Very low	23 Å²	23	65.5 Å²	65.5	10%	0.1	35%	0.346	C	S	.	.			trans	-92.9	-22.7	-159.2	-109.6	-179	-175.3	-168.3	0	115.6	I3 D9 Q82	I3-K57 HydrophobicContact CD1-CD 3.99Å; I3-K57 HydrophobicContact CG2-CD 4.4Å; D9-K57 HydrophobicContact CB-CB 4.14Å; D9-K57 WeakPolarHBondContact OD2-CB 3.5Å; K57-Q82 CarbonylContact C-O 3.58Å; K57-Q82 VanDerWaalsContact C-O 3.23Å; K57-Q82 HydrophobicContact CG-CG 4.48Å; K57-Q82 VanDerWaalsContact CG-OE1 3.28Å
58	R	44.3	Very low	47.1	Very low	165 Å²	165	63.2 Å²	63.2	62%	0.623	33%	0.329	S	S	*	.			trans	-143.7	116.8	-175.5	-85.7	-176.7	170.4	166.9	-3.1	112.5	F11	F11-R58 HydrophobicContact CB-CB 4.4Å; F11-R58 WeakPolarHBondContact CD2-O 3.1Å; F11-R58 WeakPolarHBondContact CE2-O 3.48Å; F11-R58 WeakPolarHBondContact CG-O 3.15Å
59	F	51.1	Low	48.2	Very low	26 Å²	26	57.1 Å²	57.1	11%	0.114	30%	0.3	C	S	.	.			trans	-117.3	134.8	170	-68.1	-74.6	0	0	0	110.4	F11 I56 K63 F64 A67 L81 F83 F107	F11-F59 AromaticContact CE2-CD1 3.87Å; F11-F59 HydrophobicContact CE2-CD1 3.87Å; F11-F59 AromaticContact CE2-CE1 3.53Å; F11-F59 HydrophobicContact CE2-CE1 3.53Å; F11-F59 HydrophobicContact CE2-CZ 4.14Å; F11-F59 HydrophobicContact CZ-CD1 4.36Å; F11-F59 HydrophobicContact CZ-CE1 4.03Å; I56-F59 HydrophobicContact CB-CE2 3.66Å; I56-F59 HydrophobicContact CB-CZ 3.58Å; I56-F59 HydrophobicContact CD1-CZ 3.96Å; I56-F59 HydrophobicContact CG1-CZ 4.37Å; I56-F59 HydrophobicContact CG2-CD2 4.33Å; I56-F59 HydrophobicContact CG2-CE1 3.84Å; I56-F59 HydrophobicContact CG2-CE2 3.44Å; I56-F59 VanDerWaalsContact CG2-CE2 3.44Å; I56-F59 HydrophobicContact CG2-CZ 3.16Å; F59-K63 HydrophobicContact CB-CB 4.49Å; F59-K63 HydrophobicContact CD1-CB 3.64Å; F59-K63 VanDerWaalsContact CD1-O 3.31Å; F59-K63 WeakPolarHBondContact CD1-O 3.13Å; F59-K63 HydrophobicContact CE1-CB 4.38Å; F59-K63 WeakPolarHBondContact CE1-O 3.29Å; F59-F64 HydrophobicContact CB-CB 4.27Å; F59-F64 VanDerWaalsContact CD1-CA 3.43Å; F59-F64 HydrophobicContact CD1-CB 4.13Å; F59-F64 VanDerWaalsContact CD1-N 3.32Å; F59-F64 HydrophobicContact CG-CB 4.31Å; F59-A67 HydrophobicContact CD1-CB 4.41Å; F59-A67 HydrophobicContact CE1-CB 3.21Å; F59-A67 HydrophobicContact CE2-CB 4.39Å; F59-A67 HydrophobicContact CZ-CB 3.17Å; F59-L81 HydrophobicContact CE2-CB 4.5Å; F59-L81 HydrophobicContact CE2-CD2 4.33Å; F59-L81 HydrophobicContact CZ-CD2 4.46Å; F59-F83 HydrophobicContact CB-CD1 4.08Å; F59-F83 HydrophobicContact CB-CE1 4.29Å; F59-F83 AromaticContact CD2-CD1 3.56Å; F59-F83 HydrophobicContact CD2-CD1 3.56Å; F59-F83 AromaticContact CD2-CE1 3.37Å; F59-F83 HydrophobicContact CD2-CE1 3.37Å; F59-F83 HydrophobicContact CE2-CD1 4.45Å; F59-F83 AromaticContact CE2-CE1 3.93Å; F59-F83 HydrophobicContact CE2-CE1 3.93Å; F59-F83 HydrophobicContact CG-CD1 4.19Å; F59-F83 HydrophobicContact CG-CE1 4.04Å; F59-F107 HydrophobicContact CB-CZ 4.35Å
60	D	50.3	Low	49.1	Very low	68 Å²	68	53 Å²	53	36%	0.364	27%	0.273	S	S	.	.			trans	-89.3	166.2	142.1	59.3	52.1	0	0	0	107.8	C62 K63 F64	D60-C62 PolarHBondContact O-N 2.79Å; D60-C62 VanDerWaalsContact O-N 3.1Å; D60-C62 WeakPolarHBondContact OD1-CB 3.47Å; D60-C62 PolarHBondContact OD1-N 3.46Å; D60-C62 VanDerWaalsContact OD1-N 3.13Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 WeakPolarHBondContact OD1-CG 3.17Å; D60-K63 PolarHBondContact OD1-N 3.06Å; D60-K63 VanDerWaalsContact OD2-CD 3.3Å; D60-K63 WeakPolarHBondContact OD2-CD 3.38Å; D60-K63 WeakPolarHBondContact OD2-CE 3.36Å; D60-K63 IonicContact OD2-NZ 3.46Å; D60-K63 PolarHBondContact OD2-NZ 3.27Å; D60-F64 PolarHBondContact O-N 3.14Å; D60-F64 VanDerWaalsContact O-N 3.09Å
61	A	50.2	Low	50.3	Low	50 Å²	50	48.3 Å²	48.3	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-54	-33.6	-175.5	0	0	0	0	0	113.1	F64	A61-F64 PolarHBondContact O-N 3.32Å
62	C	47.3	Very low	51.1	Low	85 Å²	85	49.8 Å²	49.8	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-69.9	-42.8	177.3	-63.9	0	0	0	0	111.7	D60 F64 L65	D60-C62 PolarHBondContact O-N 2.79Å; D60-C62 VanDerWaalsContact O-N 3.1Å; D60-C62 WeakPolarHBondContact OD1-CB 3.47Å; D60-C62 PolarHBondContact OD1-N 3.46Å; D60-C62 VanDerWaalsContact OD1-N 3.13Å; C62-F64 PolarHBondContact O-N 3.13Å; C62-L65 PolarHBondContact O-N 3.08Å
63	K	52.7	Low	51.8	Low	50 Å²	50	53.2 Å²	53.2	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-30.3	176.9	-69.7	172	-177.9	171.5	0	111.9	F11 F59 D60 V66 A67	F11-K63 HydrophobicContact CD1-CD 3.66Å; F11-K63 HydrophobicContact CD1-CG 4.18Å; F11-K63 HydrophobicContact CE1-CB 4.03Å; F11-K63 HydrophobicContact CE1-CD 3.76Å; F11-K63 HydrophobicContact CE1-CG 3.73Å; F11-K63 HydrophobicContact CE2-CB 4.25Å; F11-K63 HydrophobicContact CG-CD 4.06Å; F11-K63 HydrophobicContact CZ-CB 3.77Å; F11-K63 HydrophobicContact CZ-CD 4.21Å; F11-K63 HydrophobicContact CZ-CG 4.02Å; F59-K63 HydrophobicContact CB-CB 4.49Å; F59-K63 HydrophobicContact CD1-CB 3.64Å; F59-K63 VanDerWaalsContact CD1-O 3.31Å; F59-K63 WeakPolarHBondContact CD1-O 3.13Å; F59-K63 HydrophobicContact CE1-CB 4.38Å; F59-K63 WeakPolarHBondContact CE1-O 3.29Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 WeakPolarHBondContact OD1-CG 3.17Å; D60-K63 PolarHBondContact OD1-N 3.06Å; D60-K63 VanDerWaalsContact OD2-CD 3.3Å; D60-K63 WeakPolarHBondContact OD2-CD 3.38Å; D60-K63 WeakPolarHBondContact OD2-CE 3.36Å; D60-K63 IonicContact OD2-NZ 3.46Å; D60-K63 PolarHBondContact OD2-NZ 3.27Å; K63-V66 PolarHBondContact O-N 2.89Å; K63-A67 PolarHBondContact O-N 2.78Å
64	F	57	Low	52.5	Low	4 Å²	4	52.6 Å²	52.6	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-43.8	-179	176.9	-92.1	0	0	0	111.9	F59 D60 A61 C62 V66 A67 V68 L81 F83 C103 F107	F59-F64 HydrophobicContact CB-CB 4.27Å; F59-F64 VanDerWaalsContact CD1-CA 3.43Å; F59-F64 HydrophobicContact CD1-CB 4.13Å; F59-F64 VanDerWaalsContact CD1-N 3.32Å; F59-F64 HydrophobicContact CG-CB 4.31Å; D60-F64 PolarHBondContact O-N 3.14Å; D60-F64 VanDerWaalsContact O-N 3.09Å; A61-F64 PolarHBondContact O-N 3.32Å; C62-F64 PolarHBondContact O-N 3.13Å; F64-V66 PolarHBondContact O-N 3.13Å; F64-A67 CarbonylContact O-C 3.46Å; F64-A67 PolarHBondContact O-N 3.26Å; F64-V68 HydrophobicContact CD1-CG2 3.81Å; F64-V68 HydrophobicContact CE1-CB 4.33Å; F64-V68 HydrophobicContact CE1-CG2 3.05Å; F64-V68 HydrophobicContact CE2-CG2 4.02Å; F64-V68 HydrophobicContact CZ-CG2 3.23Å; F64-V68 PolarHBondContact O-N 3.39Å; F64-L81 HydrophobicContact CE2-CD1 3.85Å; F64-F83 AromaticContact CD2-CE1 3.53Å; F64-F83 HydrophobicContact CD2-CE1 3.53Å; F64-F83 AromaticContact CD2-CZ 3.77Å; F64-F83 HydrophobicContact CD2-CZ 3.77Å; F64-F83 AromaticContact CE2-CE1 3.84Å; F64-F83 HydrophobicContact CE2-CE1 3.84Å; F64-F83 AromaticContact CE2-CZ 3.56Å; F64-F83 HydrophobicContact CE2-CZ 3.56Å; F64-C103 HydrophobicContact CD1-CB 3.71Å; F64-C103 HydrophobicContact CE1-CB 3.14Å; F64-C103 WeakPolarHBondContact CE1-SG 3.37Å; F64-C103 HydrophobicContact CE2-CB 4.28Å; F64-C103 HydrophobicContact CZ-CB 3.44Å; F64-C103 VanDerWaalsContact CZ-CB 3.44Å; F64-F107 HydrophobicContact CB-CZ 4.49Å; F64-F107 AromaticContact CD2-CE2 3.74Å; F64-F107 HydrophobicContact CD2-CE2 3.74Å; F64-F107 HydrophobicContact CD2-CZ 4.22Å; F64-F107 HydrophobicContact CE2-CE2 4.12Å; F64-F107 HydrophobicContact CG-CE2 4.02Å; F64-F107 HydrophobicContact CG-CZ 4.44Å
65	L	53.3	Low	53.1	Low	116 Å²	116	58.7 Å²	58.7	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-58	-39.1	177	-74.5	168.9	0	0	0	112.1	C62 V68 E69	C62-L65 PolarHBondContact O-N 3.08Å; L65-V68 PolarHBondContact O-N 2.94Å; L65-E69 PolarHBondContact O-N 3.49Å
66	V	54.7	Low	53.6	Low	54 Å²	54	58.6 Å²	58.6	33%	0.327	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-43.5	175.8	174.5	0	0	0	0	111.2	L22 K63 F64 E69 A70	L22-V66 HydrophobicContact CD1-CG1 3.43Å; L22-V66 VanDerWaalsContact CD1-CG1 3.43Å; K63-V66 PolarHBondContact O-N 2.89Å; F64-V66 PolarHBondContact O-N 3.13Å; V66-E69 PolarHBondContact O-N 3.43Å; V66-A70 WeakPolarHBondContact O-CB 3.04Å; V66-A70 PolarHBondContact O-N 3.2Å
67	A	58.9	Low	53.8	Low	4 Å²	4	60.4 Å²	60.4	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-38.5	174.9	0	0	0	0	0	112.3	I56 F59 K63 F64 E69 A70 I71	I56-A67 HydrophobicContact CD1-CB 4.05Å; F59-A67 HydrophobicContact CD1-CB 4.41Å; F59-A67 HydrophobicContact CE1-CB 3.21Å; F59-A67 HydrophobicContact CE2-CB 4.39Å; F59-A67 HydrophobicContact CZ-CB 3.17Å; K63-A67 PolarHBondContact O-N 2.78Å; F64-A67 CarbonylContact O-C 3.46Å; F64-A67 PolarHBondContact O-N 3.26Å; A67-E69 PolarHBondContact O-N 2.94Å; A67-A70 CarbonylContact O-C 3.56Å; A67-A70 WeakPolarHBondContact O-CB 3.49Å; A67-A70 PolarHBondContact O-N 2.93Å; A67-I71 WeakPolarHBondContact O-CB 3.36Å; A67-I71 VanDerWaalsContact O-CD1 3.29Å; A67-I71 WeakPolarHBondContact O-CD1 3.36Å; A67-I71 WeakPolarHBondContact O-CG1 3.44Å; A67-I71 PolarHBondContact O-N 2.85Å
68	V	59.1	Low	54.1	Low	13 Å²	13	63.5 Å²	63.5	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-46.5	174.2	165.7	0	0	0	0	111.7	F64 L65 A70 I71 R72 L99	F64-V68 HydrophobicContact CD1-CG2 3.81Å; F64-V68 HydrophobicContact CE1-CB 4.33Å; F64-V68 HydrophobicContact CE1-CG2 3.05Å; F64-V68 HydrophobicContact CE2-CG2 4.02Å; F64-V68 HydrophobicContact CZ-CG2 3.23Å; F64-V68 PolarHBondContact O-N 3.39Å; L65-V68 PolarHBondContact O-N 2.94Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 2.69Å; V68-I71 WeakPolarHBondContact O-CB 3.42Å; V68-I71 PolarHBondContact O-N 3.44Å; V68-R72 WeakPolarHBondContact O-CB 3.35Å; V68-R72 PolarHBondContact O-N 3.18Å; V68-L99 HydrophobicContact CB-CB 4.5Å; V68-L99 HydrophobicContact CB-CD1 4.47Å; V68-L99 HydrophobicContact CG1-CB 3.78Å; V68-L99 HydrophobicContact CG1-CD1 3.78Å; V68-L99 HydrophobicContact CG1-CG 4.32Å; V68-L99 HydrophobicContact CG2-CB 4Å; V68-L99 HydrophobicContact CG2-CD2 4.25Å
69	E	56.8	Low	54.7	Low	85 Å²	85	56.1 Å²	56.1	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-39.5	175.9	-83.9	-57.5	150.2	0	0	111.9	L65 V66 A67 I71 R72 L73	L65-E69 PolarHBondContact O-N 3.49Å; V66-E69 PolarHBondContact O-N 3.43Å; A67-E69 PolarHBondContact O-N 2.94Å; E69-I71 VanDerWaalsContact C-N 3.29Å; E69-I71 PolarHBondContact O-N 3.23Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 IonicContact OE1-CZ 3.86Å; E69-R72 IonicContact OE1-NE 3.17Å; E69-R72 PolarHBondContact OE1-NE 3.29Å; E69-R72 VanDerWaalsContact OE1-NE 3.17Å; E69-R72 IonicContact OE1-NH2 3.76Å; E69-R72 IonicContact OE2-CZ 3.36Å; E69-R72 IonicContact OE2-NE 2.9Å; E69-R72 PolarHBondContact OE2-NE 3.35Å; E69-R72 IonicContact OE2-NH2 2.92Å; E69-R72 PolarHBondContact OE2-NH2 2.82Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.22Å; E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.3Å
70	A	57.4	Low	54.9	Low	12 Å²	12	56.3 Å²	56.3	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-42.3	172.4	0	0	0	0	0	111.4	V66 A67 V68 N74	V66-A70 WeakPolarHBondContact O-CB 3.04Å; V66-A70 PolarHBondContact O-N 3.2Å; A67-A70 CarbonylContact O-C 3.56Å; A67-A70 WeakPolarHBondContact O-CB 3.49Å; A67-A70 PolarHBondContact O-N 2.93Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 2.69Å; A70-N74 WeakPolarHBondContact O-CB 3.31Å; A70-N74 PolarHBondContact O-N 2.82Å; A70-N74 PolarHBondContact O-ND2 3.27Å
71	I	59.2	Low	55.4	Low	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-48.4	177.6	-67.6	159.4	0	0	0	110.7	A67 V68 E69 L73 N74 W79 L81 L99	A67-I71 WeakPolarHBondContact O-CB 3.36Å; A67-I71 VanDerWaalsContact O-CD1 3.29Å; A67-I71 WeakPolarHBondContact O-CD1 3.36Å; A67-I71 WeakPolarHBondContact O-CG1 3.44Å; A67-I71 PolarHBondContact O-N 2.85Å; V68-I71 WeakPolarHBondContact O-CB 3.42Å; V68-I71 PolarHBondContact O-N 3.44Å; E69-I71 VanDerWaalsContact C-N 3.29Å; E69-I71 PolarHBondContact O-N 3.23Å; I71-L73 PolarHBondContact O-N 3.06Å; I71-N74 PolarHBondContact O-N 3.37Å; I71-W79 HydrophobicContact CB-CD2 4.27Å; I71-W79 HydrophobicContact CB-CG 4.39Å; I71-W79 HydrophobicContact CB-CZ2 4.24Å; I71-W79 HydrophobicContact CD1-CB 4.39Å; I71-W79 HydrophobicContact CD1-CD2 4.37Å; I71-W79 HydrophobicContact CD1-CG 4.28Å; I71-W79 HydrophobicContact CG1-CB 4.34Å; I71-W79 HydrophobicContact CG1-CD2 3.47Å; I71-W79 VanDerWaalsContact CG1-CD2 3.47Å; I71-W79 HydrophobicContact CG1-CE3 3.75Å; I71-W79 HydrophobicContact CG1-CG 3.72Å; I71-W79 HydrophobicContact CG1-CH2 4.29Å; I71-W79 HydrophobicContact CG1-CZ2 3.99Å; I71-W79 HydrophobicContact CG1-CZ3 4.16Å; I71-W79 HydrophobicContact CG2-CD2 4.25Å; I71-W79 HydrophobicContact CG2-CG 3.92Å; I71-L81 HydrophobicContact CD1-CD1 3.77Å; I71-L81 HydrophobicContact CD1-CD2 3.71Å; I71-L81 HydrophobicContact CD1-CG 4.24Å; I71-L99 HydrophobicContact CB-CD1 4.04Å; I71-L99 HydrophobicContact CB-CD2 4.27Å; I71-L99 HydrophobicContact CD1-CD2 3.76Å; I71-L99 HydrophobicContact CG2-CD1 3.67Å; I71-L99 HydrophobicContact CG2-CD2 3.78Å; I71-L99 HydrophobicContact CG2-CG 4.29Å
72	R	56.3	Low	55.5	Low	115 Å²	115	51.2 Å²	51.2	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-41.7	-179	-166.2	-176.7	74.1	88	4	111.9	V68 E69 L99	V68-R72 WeakPolarHBondContact O-CB 3.35Å; V68-R72 PolarHBondContact O-N 3.18Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 IonicContact OE1-CZ 3.86Å; E69-R72 IonicContact OE1-NE 3.17Å; E69-R72 PolarHBondContact OE1-NE 3.29Å; E69-R72 VanDerWaalsContact OE1-NE 3.17Å; E69-R72 IonicContact OE1-NH2 3.76Å; E69-R72 IonicContact OE2-CZ 3.36Å; E69-R72 IonicContact OE2-NE 2.9Å; E69-R72 PolarHBondContact OE2-NE 3.35Å; E69-R72 IonicContact OE2-NH2 2.92Å; E69-R72 PolarHBondContact OE2-NH2 2.82Å; R72-L99 HydrophobicContact CB-CD1 4.46Å
73	L	57.5	Low	55.8	Low	111 Å²	111	47.9 Å²	47.9	58%	0.581	23%	0.233	S	C	*	.	H	α-helix	trans	-76.1	-25.6	-176.9	-71.2	172.8	0	0	0	114	E69 I71	E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.22Å; E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.3Å; I71-L73 PolarHBondContact O-N 3.06Å
74	N	57.9	Low	55.7	Low	31 Å²	31	47.3 Å²	47.3	17%	0.166	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.6	-173.6	-78.2	-69.2	0	0	0	113.9	Q29 A70 I71 F76 W79	Q29-N74 PolarHBondContact NE2-ND2 3.41Å; A70-N74 WeakPolarHBondContact O-CB 3.31Å; A70-N74 PolarHBondContact O-N 2.82Å; A70-N74 PolarHBondContact O-ND2 3.27Å; I71-N74 PolarHBondContact O-N 3.37Å; N74-F76 HydrophobicContact CB-CD2 3.39Å; N74-F76 HydrophobicContact CB-CE2 3.54Å; N74-F76 HydrophobicContact CB-CG 4.38Å; N74-F76 PolarHBondContact O-N 3.41Å; N74-W79 HydrophobicContact CB-CZ2 4.05Å
75	E	55.5	Low	55.6	Low	171 Å²	171	51.3 Å²	51.3	80%	0.799	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	22.2	178.8	-61.1	-173.1	149.9	0	0	114.1
76	F	54.7	Low	55.7	Low	35 Å²	35	54.4 Å²	54.4	15%	0.154	29%	0.287	C	S	.	.			trans	-72.5	138.3	179.5	-72.4	-62.4	0	0	0	108.8	P52 F54 N74 Y78 W79 S94	P52-F76 HydrophobicContact CG-CD1 3.64Å; P52-F76 HydrophobicContact CG-CE1 3.73Å; P52-F76 HydrophobicContact CG-CG 4.38Å; F54-F76 HydrophobicContact CE2-CD2 4Å; F54-F76 AromaticContact CE2-CE2 3.76Å; F54-F76 HydrophobicContact CE2-CE2 3.76Å; F54-F76 HydrophobicContact CE2-CZ 4.2Å; F54-F76 HydrophobicContact CZ-CE2 4.38Å; N74-F76 HydrophobicContact CB-CD2 3.39Å; N74-F76 HydrophobicContact CB-CE2 3.54Å; N74-F76 HydrophobicContact CB-CG 4.38Å; N74-F76 PolarHBondContact O-N 3.41Å; F76-Y78 VanDerWaalsContact C-N 3.31Å; F76-Y78 PolarHBondContact O-N 3.29Å; F76-W79 HydrophobicContact CB-CZ2 4.09Å; F76-W79 HydrophobicContact CD2-CH2 4.12Å; F76-W79 AromaticContact CD2-CZ2 3.51Å; F76-W79 HydrophobicContact CD2-CZ2 3.51Å; F76-W79 HydrophobicContact CE2-CZ2 4.44Å; F76-W79 HydrophobicContact CG-CZ2 4.28Å; F76-S94 PolarHBondContact O-OG 3.45Å; F76-S94 VanDerWaalsContact O-OG 3.06Å
77	P	52.6	Low	55.7	Low	51 Å²	51	56.4 Å²	56.4	33%	0.331	29%	0.292	S	S	.	.	S	Bend	trans	-72.4	-23.6	-172.2	27.4	-36.2	0	0	0	113.2	Q51 K92	Q51-P77 HydrophobicContact CB-CG 4.23Å; Q51-P77 VanDerWaalsContact CD-CG 3.47Å; Q51-P77 HydrophobicContact CG-CG 4.27Å; P77-K92 CarbonylContact O-C 3.58Å; P77-K92 VanDerWaalsContact O-C 3.29Å
78	Y	50	Low	55.7	Low	87 Å²	87	60.4 Å²	60.4	34%	0.341	31%	0.312	S	S	.	.			trans	-144.5	140.6	-178.1	-59.3	-89.8	0	0	0	111.9	Q51 F76 V91 K92	Q51-Y78 HydrophobicContact CB-CD2 4.45Å; F76-Y78 VanDerWaalsContact C-N 3.31Å; F76-Y78 PolarHBondContact O-N 3.29Å; Y78-V91 CarbonylContact C-O 3.29Å; Y78-V91 VanDerWaalsContact CA-O 3.31Å; Y78-V91 WeakPolarHBondContact CA-O 3.31Å; Y78-K92 HydrophobicContact CD1-CB 3.78Å; Y78-K92 HydrophobicContact CD1-CD 4.27Å; Y78-K92 HydrophobicContact CD1-CG 3.61Å; Y78-K92 HydrophobicContact CE1-CB 3.55Å; Y78-K92 HydrophobicContact CE1-CD 3.75Å; Y78-K92 HydrophobicContact CE1-CG 3.52Å
79	W	57	Low	55.7	Low	10 Å²	10	61 Å²	61	4%	0.038	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.6	174.7	-68.5	82.8	0	0	0	110.7	F54 I71 N74 F76 T90 V91	F54-W79 HydrophobicContact CB-CE3 3.57Å; F54-W79 HydrophobicContact CB-CH2 4.46Å; F54-W79 HydrophobicContact CB-CZ3 3.43Å; F54-W79 VanDerWaalsContact CB-CZ3 3.43Å; F54-W79 HydrophobicContact CD2-CE3 4.06Å; F54-W79 AromaticContact CD2-CH2 3.84Å; F54-W79 HydrophobicContact CD2-CH2 3.84Å; F54-W79 HydrophobicContact CD2-CZ2 4.46Å; F54-W79 AromaticContact CD2-CZ3 3.61Å; F54-W79 HydrophobicContact CD2-CZ3 3.61Å; F54-W79 HydrophobicContact CE2-CH2 4.41Å; F54-W79 HydrophobicContact CG-CE3 4.17Å; F54-W79 HydrophobicContact CG-CH2 4.26Å; F54-W79 AromaticContact CG-CZ3 3.66Å; F54-W79 HydrophobicContact CG-CZ3 3.66Å; I71-W79 HydrophobicContact CB-CD2 4.27Å; I71-W79 HydrophobicContact CB-CG 4.39Å; I71-W79 HydrophobicContact CB-CZ2 4.24Å; I71-W79 HydrophobicContact CD1-CB 4.39Å; I71-W79 HydrophobicContact CD1-CD2 4.37Å; I71-W79 HydrophobicContact CD1-CG 4.28Å; I71-W79 HydrophobicContact CG1-CB 4.34Å; I71-W79 HydrophobicContact CG1-CD2 3.47Å; I71-W79 VanDerWaalsContact CG1-CD2 3.47Å; I71-W79 HydrophobicContact CG1-CE3 3.75Å; I71-W79 HydrophobicContact CG1-CG 3.72Å; I71-W79 HydrophobicContact CG1-CH2 4.29Å; I71-W79 HydrophobicContact CG1-CZ2 3.99Å; I71-W79 HydrophobicContact CG1-CZ3 4.16Å; I71-W79 HydrophobicContact CG2-CD2 4.25Å; I71-W79 HydrophobicContact CG2-CG 3.92Å; N74-W79 HydrophobicContact CB-CZ2 4.05Å; F76-W79 HydrophobicContact CB-CZ2 4.09Å; F76-W79 HydrophobicContact CD2-CH2 4.12Å; F76-W79 AromaticContact CD2-CZ2 3.51Å; F76-W79 HydrophobicContact CD2-CZ2 3.51Å; F76-W79 HydrophobicContact CE2-CZ2 4.44Å; F76-W79 HydrophobicContact CG-CZ2 4.28Å; W79-T90 CarbonylContact O-C 3.52Å; W79-T90 VanDerWaalsContact O-CA 3.29Å; W79-T90 WeakPolarHBondContact O-CA 3.22Å; W79-V91 HydrophobicContact CB-CB 4.42Å; W79-V91 PolarHBondContact N-O 3.22Å; W79-V91 PolarHBondContact O-N 2.84Å
80	I	54.7	Low	55.8	Low	30 Å²	30	60.4 Å²	60.4	15%	0.154	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.7	172.3	-65.7	-164.1	0	0	0	108.6	L53 F54 R55 I88 V89 T90	L53-I80 HydrophobicContact CD2-CD1 3.25Å; L53-I80 HydrophobicContact CD2-CG1 4.04Å; L53-I80 HydrophobicContact CG-CD1 3.67Å; L53-I80 HydrophobicContact CG-CG1 3.91Å; F54-I80 CarbonylContact O-C 3.54Å; F54-I80 PolarHBondContact O-N 2.84Å; R55-I80 VanDerWaalsContact CA-O 3.3Å; R55-I80 WeakPolarHBondContact CA-O 2.95Å; I80-I88 HydrophobicContact CG2-CG2 3.21Å; I80-V89 CarbonylContact C-O 3.49Å; I80-V89 WeakPolarHBondContact CA-O 3.26Å; I80-T90 HydrophobicContact CG1-CG2 4.18Å
81	L	60.1	Low	55.9	Low	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124	179.5	-53.6	177.2	0	0	0	108.3	F59 F64 I71 F83 I88 V89 V91	F59-L81 HydrophobicContact CE2-CB 4.5Å; F59-L81 HydrophobicContact CE2-CD2 4.33Å; F59-L81 HydrophobicContact CZ-CD2 4.46Å; F64-L81 HydrophobicContact CE2-CD1 3.85Å; I71-L81 HydrophobicContact CD1-CD1 3.77Å; I71-L81 HydrophobicContact CD1-CD2 3.71Å; I71-L81 HydrophobicContact CD1-CG 4.24Å; L81-F83 HydrophobicContact CB-CE1 3.99Å; L81-F83 HydrophobicContact CB-CE2 3.9Å; L81-F83 HydrophobicContact CB-CZ 3.4Å; L81-F83 VanDerWaalsContact CB-CZ 3.4Å; L81-F83 HydrophobicContact CD1-CZ 3.98Å; L81-F83 HydrophobicContact CG-CZ 4.33Å; L81-I88 CarbonylContact O-C 3.59Å; L81-I88 WeakPolarHBondContact O-CA 3.1Å; L81-V89 PolarHBondContact N-O 2.74Å; L81-V89 PolarHBondContact O-N 3.27Å; L81-V91 HydrophobicContact CD1-CG2 3.85Å; L81-V91 HydrophobicContact CG-CG2 4.4Å
82	Q	52.1	Low	55.9	Low	12 Å²	12	67.5 Å²	67.5	6%	0.056	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.8	174.2	173.9	174.6	5.2	0	0	110.1	R55 I56 K57 G84 Q87 I88	R55-Q82 HydrophobicContact CG-CB 4.47Å; I56-Q82 CarbonylContact O-C 3.23Å; I56-Q82 WeakPolarHBondContact O-CA 3.26Å; I56-Q82 WeakPolarHBondContact O-CB 3.36Å; I56-Q82 PolarHBondContact O-N 2.72Å; K57-Q82 CarbonylContact C-O 3.58Å; K57-Q82 VanDerWaalsContact C-O 3.23Å; K57-Q82 HydrophobicContact CG-CG 4.48Å; K57-Q82 VanDerWaalsContact CG-OE1 3.28Å; Q82-G84 PolarHBondContact NE2-O 3.2Å; Q82-Q87 CarbonylContact C-O 3.51Å; Q82-Q87 VanDerWaalsContact CA-O 3.25Å; Q82-Q87 WeakPolarHBondContact CA-O 3.25Å; Q82-I88 HydrophobicContact CB-CG1 4.17Å; Q82-I88 HydrophobicContact CG-CG1 4.07Å
83	F	53.8	Low	56.2	Low	14 Å²	14	65.4 Å²	65.4	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.2	178.4	-53.4	-56.7	0	0	0	109.8	F59 F64 L81 Q87 V89 N106 F107	F59-F83 HydrophobicContact CB-CD1 4.08Å; F59-F83 HydrophobicContact CB-CE1 4.29Å; F59-F83 AromaticContact CD2-CD1 3.56Å; F59-F83 HydrophobicContact CD2-CD1 3.56Å; F59-F83 AromaticContact CD2-CE1 3.37Å; F59-F83 HydrophobicContact CD2-CE1 3.37Å; F59-F83 HydrophobicContact CE2-CD1 4.45Å; F59-F83 AromaticContact CE2-CE1 3.93Å; F59-F83 HydrophobicContact CE2-CE1 3.93Å; F59-F83 HydrophobicContact CG-CD1 4.19Å; F59-F83 HydrophobicContact CG-CE1 4.04Å; F64-F83 AromaticContact CD2-CE1 3.53Å; F64-F83 HydrophobicContact CD2-CE1 3.53Å; F64-F83 AromaticContact CD2-CZ 3.77Å; F64-F83 HydrophobicContact CD2-CZ 3.77Å; F64-F83 AromaticContact CE2-CE1 3.84Å; F64-F83 HydrophobicContact CE2-CE1 3.84Å; F64-F83 AromaticContact CE2-CZ 3.56Å; F64-F83 HydrophobicContact CE2-CZ 3.56Å; L81-F83 HydrophobicContact CB-CE1 3.99Å; L81-F83 HydrophobicContact CB-CE2 3.9Å; L81-F83 HydrophobicContact CB-CZ 3.4Å; L81-F83 VanDerWaalsContact CB-CZ 3.4Å; L81-F83 HydrophobicContact CD1-CZ 3.98Å; L81-F83 HydrophobicContact CG-CZ 4.33Å; F83-Q87 HydrophobicContact CB-CB 3.98Å; F83-Q87 HydrophobicContact CD2-CB 4.39Å; F83-Q87 PolarHBondContact N-O 2.76Å; F83-Q87 PolarHBondContact O-N 2.74Å; F83-V89 HydrophobicContact CD2-CG2 3.78Å; F83-V89 HydrophobicContact CE2-CB 3.88Å; F83-V89 HydrophobicContact CE2-CG2 3.52Å; F83-N106 HydrophobicContact CD2-CB 4.35Å; F83-N106 HydrophobicContact CE2-CB 4.41Å; F83-F107 HydrophobicContact CB-CZ 4.33Å; F83-F107 HydrophobicContact CD1-CE1 4.18Å; F83-F107 AromaticContact CD1-CE2 3.69Å; F83-F107 HydrophobicContact CD1-CE2 3.69Å; F83-F107 AromaticContact CD1-CZ 3.17Å; F83-F107 HydrophobicContact CD1-CZ 3.17Å; F83-F107 HydrophobicContact CD2-CE2 4.3Å; F83-F107 HydrophobicContact CD2-CZ 4.36Å; F83-F107 AromaticContact CE1-CE2 3.54Å; F83-F107 HydrophobicContact CE1-CE2 3.54Å; F83-F107 AromaticContact CE1-CZ 3.43Å; F83-F107 HydrophobicContact CE1-CZ 3.43Å; F83-F107 VanDerWaalsContact CE1-CZ 3.43Å; F83-F107 HydrophobicContact CE2-CE2 4.15Å; F83-F107 HydrophobicContact CG-CE1 4.49Å; F83-F107 HydrophobicContact CG-CE2 4.08Å; F83-F107 AromaticContact CG-CZ 3.69Å; F83-F107 HydrophobicContact CG-CZ 3.69Å; F83-F107 AromaticContact CZ-CE2 3.78Å; F83-F107 HydrophobicContact CZ-CE2 3.78Å; F83-F107 HydrophobicContact CZ-CZ 4.13Å
84	G	50	Low	56.2	Low	38 Å²	38	61.1 Å²	61.1	39%	0.392	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-146.5	-179.4	0	0	0	0	0	113	Q82	Q82-G84 PolarHBondContact NE2-O 3.2Å
85	A	55.8	Low	56.4	Low	89 Å²	89	61.7 Å²	61.7	74%	0.736	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.7	-173.8	0	0	0	0	0	113.9
86	Q	54.4	Low	56.5	Low	181 Å²	181	55.9 Å²	55.9	85%	0.846	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.9	-27.8	-160.7	-74.8	179.1	-13.1	0	0	116.1
87	Q	56.1	Low	57	Low	95 Å²	95	61 Å²	61	44%	0.444	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.9	-177.6	-93.5	176.1	-9.5	0	0	110.8	Q82 F83	Q82-Q87 CarbonylContact C-O 3.51Å; Q82-Q87 VanDerWaalsContact CA-O 3.25Å; Q82-Q87 WeakPolarHBondContact CA-O 3.25Å; F83-Q87 HydrophobicContact CB-CB 3.98Å; F83-Q87 HydrophobicContact CD2-CB 4.39Å; F83-Q87 PolarHBondContact N-O 2.76Å; F83-Q87 PolarHBondContact O-N 2.74Å
88	I	59	Low	57.5	Low	88 Å²	88	62 Å²	62	45%	0.451	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.8	172.5	-58.8	-178.2	0	0	0	106.4	I80 L81 Q82	I80-I88 HydrophobicContact CG2-CG2 3.21Å; L81-I88 CarbonylContact O-C 3.59Å; L81-I88 WeakPolarHBondContact O-CA 3.1Å; Q82-I88 HydrophobicContact CB-CG1 4.17Å; Q82-I88 HydrophobicContact CG-CG1 4.07Å
89	V	57.6	Low	58	Low	27 Å²	27	57.9 Å²	57.9	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.2	179.7	-172.1	0	0	0	0	109.1	I80 L81 F83 C102 N106	I80-V89 CarbonylContact C-O 3.49Å; I80-V89 WeakPolarHBondContact CA-O 3.26Å; L81-V89 PolarHBondContact N-O 2.74Å; L81-V89 PolarHBondContact O-N 3.27Å; F83-V89 HydrophobicContact CD2-CG2 3.78Å; F83-V89 HydrophobicContact CE2-CB 3.88Å; F83-V89 HydrophobicContact CE2-CG2 3.52Å; V89-C102 WeakPolarHBondContact CG1-SG 3.38Å; V89-N106 VanDerWaalsContact CG2-OD1 3.3Å; V89-N106 WeakPolarHBondContact CG2-OD1 3.3Å
90	T	58.9	Low	58.1	Low	72 Å²	72	60.2 Å²	60.2	44%	0.442	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.4	174	-55.6	0	0	0	0	108.6	W79 I80 K92	W79-T90 CarbonylContact O-C 3.52Å; W79-T90 VanDerWaalsContact O-CA 3.29Å; W79-T90 WeakPolarHBondContact O-CA 3.22Å; I80-T90 HydrophobicContact CG1-CG2 4.18Å; T90-K92 HydrophobicContact CG2-CG 4.31Å
91	V	60.5	Low	58.6	Low	9 Å²	9	61.6 Å²	61.6	6%	0.055	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.8	175.4	-175.5	0	0	0	0	107.6	Y78 W79 L81 D93 L99	Y78-V91 CarbonylContact C-O 3.29Å; Y78-V91 VanDerWaalsContact CA-O 3.31Å; Y78-V91 WeakPolarHBondContact CA-O 3.31Å; W79-V91 HydrophobicContact CB-CB 4.42Å; W79-V91 PolarHBondContact N-O 3.22Å; W79-V91 PolarHBondContact O-N 2.84Å; L81-V91 HydrophobicContact CD1-CG2 3.85Å; L81-V91 HydrophobicContact CG-CG2 4.4Å; V91-D93 WeakPolarHBondContact CG1-O 3.24Å; V91-L99 HydrophobicContact CB-CD2 4.34Å; V91-L99 HydrophobicContact CG1-CD2 3.7Å; V91-L99 HydrophobicContact CG1-CG 4.37Å; V91-L99 HydrophobicContact CG2-CD2 4.14Å
92	K	59.6	Low	58.8	Low	151 Å²	151	62.2 Å²	62.2	66%	0.657	35%	0.35	S	S	*	.	S	Bend	trans	-90.6	-3.1	-179.6	-60.4	-162.9	157.8	-177.8	0	114	P77 Y78 T90	P77-K92 CarbonylContact O-C 3.58Å; P77-K92 VanDerWaalsContact O-C 3.29Å; Y78-K92 HydrophobicContact CD1-CB 3.78Å; Y78-K92 HydrophobicContact CD1-CD 4.27Å; Y78-K92 HydrophobicContact CD1-CG 3.61Å; Y78-K92 HydrophobicContact CE1-CB 3.55Å; Y78-K92 HydrophobicContact CE1-CD 3.75Å; Y78-K92 HydrophobicContact CE1-CG 3.52Å; T90-K92 HydrophobicContact CG2-CG 4.31Å
93	D	62.2	Low	59.1	Low	71 Å²	71	62.2 Å²	62.2	38%	0.38	35%	0.352	S	S	.	.			trans	-148.8	113.8	-179.8	175.2	13.2	0	0	0	108.1	V91 S95 N98	V91-D93 WeakPolarHBondContact CG1-O 3.24Å; D93-S95 VanDerWaalsContact CG-OG 3.24Å; D93-S95 PolarHBondContact O-N 3.36Å; D93-S95 VanDerWaalsContact OD1-CB 3.31Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-N 2.9Å; D93-S95 PolarHBondContact OD1-OG 3.13Å; D93-S95 PolarHBondContact OD2-OG 3.1Å; D93-N98 HydrophobicContact CB-CB 4.44Å; D93-N98 WeakPolarHBondContact CB-ND2 3.06Å; D93-N98 PolarHBondContact OD2-ND2 2.97Å
94	S	57.4	Low	59.6	Low	22 Å²	22	67.2 Å²	67.2	15%	0.154	37%	0.373	C	S	.	.			trans	-80	12.4	-179.3	41.4	0	0	0	0	113.1	F76 L99	F76-S94 PolarHBondContact O-OG 3.45Å; F76-S94 VanDerWaalsContact O-OG 3.06Å; S94-L99 VanDerWaalsContact O-CD1 3.32Å; S94-L99 WeakPolarHBondContact O-CD1 3.37Å
95	S	62.6	Low	60.3	Low	42 Å²	42	73 Å²	73	29%	0.294	39%	0.39	S	S	.	.			trans	-57.5	139.4	168.6	69.5	0	0	0	0	111.1	D93 E97 N98 L99	D93-S95 VanDerWaalsContact CG-OG 3.24Å; D93-S95 PolarHBondContact O-N 3.36Å; D93-S95 VanDerWaalsContact OD1-CB 3.31Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-N 2.9Å; D93-S95 PolarHBondContact OD1-OG 3.13Å; D93-S95 PolarHBondContact OD2-OG 3.1Å; S95-E97 PolarHBondContact O-N 3.44Å; S95-N98 PolarHBondContact O-N 3.38Å; S95-N98 VanDerWaalsContact O-N 3.13Å; S95-N98 WeakPolarHBondContact OG-CB 3.49Å; S95-L99 PolarHBondContact O-N 3.45Å
96	A	57	Low	60.4	Low	50 Å²	50	70.6 Å²	70.6	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-34.7	-176.1	0	0	0	0	0	112.1	T100	A96-T100 VanDerWaalsContact O-CB 3.28Å; A96-T100 WeakPolarHBondContact O-CB 3.08Å; A96-T100 PolarHBondContact O-N 3.09Å; A96-T100 PolarHBondContact O-OG1 2.89Å
97	E	64.7	Low	60.5	Low	141 Å²	141	64 Å²	64	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-65.1	-48	176.9	-173.1	174.5	-174.1	0	0	111.9	S95 L99 T100 N101	S95-E97 PolarHBondContact O-N 3.44Å; E97-L99 PolarHBondContact O-N 2.92Å; E97-T100 WeakPolarHBondContact O-CB 2.91Å; E97-T100 PolarHBondContact O-N 3Å; E97-N101 VanDerWaalsContact O-CG 3.31Å; E97-N101 PolarHBondContact O-N 3.33Å; E97-N101 PolarHBondContact O-ND2 3.2Å
98	N	63.8	Low	60.4	Low	73 Å²	73	68.1 Å²	68.1	39%	0.39	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-38	178.7	-87.5	-23.9	0	0	0	112.4	D93 S95 T100 N101 C102	D93-N98 HydrophobicContact CB-CB 4.44Å; D93-N98 WeakPolarHBondContact CB-ND2 3.06Å; D93-N98 PolarHBondContact OD2-ND2 2.97Å; S95-N98 PolarHBondContact O-N 3.38Å; S95-N98 VanDerWaalsContact O-N 3.13Å; S95-N98 WeakPolarHBondContact OG-CB 3.49Å; N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 PolarHBondContact O-N 3.02Å; N98-N101 PolarHBondContact O-N 3.12Å; N98-C102 WeakPolarHBondContact O-CB 3.47Å; N98-C102 PolarHBondContact O-N 2.88Å
99	L	61.3	Low	59.8	Low	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-39.9	172.8	-70.5	165.6	0	0	0	112	V68 I71 R72 V91 S94 S95 E97 C102 C103	V68-L99 HydrophobicContact CB-CB 4.5Å; V68-L99 HydrophobicContact CB-CD1 4.47Å; V68-L99 HydrophobicContact CG1-CB 3.78Å; V68-L99 HydrophobicContact CG1-CD1 3.78Å; V68-L99 HydrophobicContact CG1-CG 4.32Å; V68-L99 HydrophobicContact CG2-CB 4Å; V68-L99 HydrophobicContact CG2-CD2 4.25Å; I71-L99 HydrophobicContact CB-CD1 4.04Å; I71-L99 HydrophobicContact CB-CD2 4.27Å; I71-L99 HydrophobicContact CD1-CD2 3.76Å; I71-L99 HydrophobicContact CG2-CD1 3.67Å; I71-L99 HydrophobicContact CG2-CD2 3.78Å; I71-L99 HydrophobicContact CG2-CG 4.29Å; R72-L99 HydrophobicContact CB-CD1 4.46Å; V91-L99 HydrophobicContact CB-CD2 4.34Å; V91-L99 HydrophobicContact CG1-CD2 3.7Å; V91-L99 HydrophobicContact CG1-CG 4.37Å; V91-L99 HydrophobicContact CG2-CD2 4.14Å; S94-L99 VanDerWaalsContact O-CD1 3.32Å; S94-L99 WeakPolarHBondContact O-CD1 3.37Å; S95-L99 PolarHBondContact O-N 3.45Å; E97-L99 PolarHBondContact O-N 2.92Å; L99-C102 WeakPolarHBondContact O-CB 3.18Å; L99-C102 PolarHBondContact O-N 3.44Å; L99-C103 PolarHBondContact O-N 2.86Å; L99-C103 PolarHBondContact O-SG 3.32Å
100	T	59.5	Low	59.9	Low	60 Å²	60	73.4 Å²	73.4	37%	0.368	39%	0.386	S	S	.	.	H	α-helix	trans	-65.8	-45.1	177.1	-59.2	0	0	0	0	111.5	A96 E97 N98 C103 K104	A96-T100 VanDerWaalsContact O-CB 3.28Å; A96-T100 WeakPolarHBondContact O-CB 3.08Å; A96-T100 PolarHBondContact O-N 3.09Å; A96-T100 PolarHBondContact O-OG1 2.89Å; E97-T100 WeakPolarHBondContact O-CB 2.91Å; E97-T100 PolarHBondContact O-N 3Å; N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 PolarHBondContact O-N 3.02Å; T100-C103 VanDerWaalsContact CA-SG 3.51Å; T100-C103 PolarHBondContact O-N 3Å; T100-C103 PolarHBondContact O-SG 3.43Å; T100-K104 HydrophobicContact CG2-CD 4.49Å; T100-K104 WeakPolarHBondContact O-CG 3.04Å; T100-K104 PolarHBondContact O-N 3.42Å
101	N	64.7	Low	59.9	Low	59 Å²	59	73.5 Å²	73.5	32%	0.316	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-43.4	176.7	-69.5	-20.4	0	0	0	110.8	E97 N98 C103 K104 E105	E97-N101 VanDerWaalsContact O-CG 3.31Å; E97-N101 PolarHBondContact O-N 3.33Å; E97-N101 PolarHBondContact O-ND2 3.2Å; N98-N101 PolarHBondContact O-N 3.12Å; N101-C103 VanDerWaalsContact C-N 3.26Å; N101-C103 PolarHBondContact O-N 3.13Å; N101-K104 PolarHBondContact O-N 3.14Å; N101-K104 VanDerWaalsContact O-N 3.14Å; N101-E105 WeakPolarHBondContact O-CG 3.15Å; N101-E105 PolarHBondContact O-N 3.28Å
102	C	63.9	Low	59.9	Low	12 Å²	12	77.1 Å²	77.1	8%	0.081	40%	0.401	C	S	.	.	H	α-helix	trans	-55.9	-39.5	174.5	178.9	0	0	0	0	112	V89 N98 L99 N106	V89-C102 WeakPolarHBondContact CG1-SG 3.38Å; N98-C102 WeakPolarHBondContact O-CB 3.47Å; N98-C102 PolarHBondContact O-N 2.88Å; L99-C102 WeakPolarHBondContact O-CB 3.18Å; L99-C102 PolarHBondContact O-N 3.44Å; C102-N106 WeakPolarHBondContact O-CB 3.47Å; C102-N106 PolarHBondContact O-N 3.2Å; C102-N106 PolarHBondContact O-ND2 3.35Å
103	C	58.7	Low	59.9	Low	12 Å²	12	72.7 Å²	72.7	8%	0.081	39%	0.386	C	S	.	.	H	α-helix	trans	-74.6	-40	174.3	36.4	0	0	0	0	113.7	F64 L99 T100 N101 E105 N106 F107 L109	F64-C103 HydrophobicContact CD1-CB 3.71Å; F64-C103 HydrophobicContact CE1-CB 3.14Å; F64-C103 WeakPolarHBondContact CE1-SG 3.37Å; F64-C103 HydrophobicContact CE2-CB 4.28Å; F64-C103 HydrophobicContact CZ-CB 3.44Å; F64-C103 VanDerWaalsContact CZ-CB 3.44Å; L99-C103 PolarHBondContact O-N 2.86Å; L99-C103 PolarHBondContact O-SG 3.32Å; T100-C103 VanDerWaalsContact CA-SG 3.51Å; T100-C103 PolarHBondContact O-N 3Å; T100-C103 PolarHBondContact O-SG 3.43Å; N101-C103 VanDerWaalsContact C-N 3.26Å; N101-C103 PolarHBondContact O-N 3.13Å; C103-E105 PolarHBondContact O-N 3.46Å; C103-N106 PolarHBondContact O-N 3.41Å; C103-F107 HydrophobicContact CB-CD2 3.9Å; C103-F107 HydrophobicContact CB-CE2 4.48Å; C103-F107 WeakPolarHBondContact O-CA 3.39Å; C103-F107 WeakPolarHBondContact O-CB 2.98Å; C103-F107 PolarHBondContact O-N 3.47Å; C103-L109 HydrophobicContact CB-CD1 4.27Å
104	K	63.1	Low	59.8	Low	119 Å²	119	72.8 Å²	72.8	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-58.5	-33.9	174.9	-72	177.1	178.3	177.1	0	113	T100 N101 F107	T100-K104 HydrophobicContact CG2-CD 4.49Å; T100-K104 WeakPolarHBondContact O-CG 3.04Å; T100-K104 PolarHBondContact O-N 3.42Å; N101-K104 PolarHBondContact O-N 3.14Å; N101-K104 VanDerWaalsContact O-N 3.14Å; K104-F107 CarbonylContact C-O 3.6Å; K104-F107 VanDerWaalsContact O-O 3.08Å
105	E	65.8	Low	60	Low	161 Å²	161	76.2 Å²	76.2	75%	0.752	40%	0.402	S	S	*	.	H	α-helix	trans	-76.4	-29.5	179.3	-73.6	179.2	176.3	0	0	113.5	N101 C103	N101-E105 WeakPolarHBondContact O-CG 3.15Å; N101-E105 PolarHBondContact O-N 3.28Å; C103-E105 PolarHBondContact O-N 3.46Å
106	N	58.7	Low	59.8	Low	38 Å²	38	78.6 Å²	78.6	20%	0.203	41%	0.41	C	S	.	.	H	α-helix	trans	-106.7	-18.7	-173.1	-69.8	-87.7	0	0	0	113.4	F83 V89 C102 C103	F83-N106 HydrophobicContact CD2-CB 4.35Å; F83-N106 HydrophobicContact CE2-CB 4.41Å; V89-N106 VanDerWaalsContact CG2-OD1 3.3Å; V89-N106 WeakPolarHBondContact CG2-OD1 3.3Å; C102-N106 WeakPolarHBondContact O-CB 3.47Å; C102-N106 PolarHBondContact O-N 3.2Å; C102-N106 PolarHBondContact O-ND2 3.35Å; C103-N106 PolarHBondContact O-N 3.41Å
107	F	55.6	Low	60	Low	41 Å²	41	80.8 Å²	80.8	18%	0.18	41%	0.409	C	S	.	.	S	Bend	trans	-125.6	124.8	174.6	-57.5	-87.3	0	0	0	106.5	F59 F64 F83 C103 K104 L109	F59-F107 HydrophobicContact CB-CZ 4.35Å; F64-F107 HydrophobicContact CB-CZ 4.49Å; F64-F107 AromaticContact CD2-CE2 3.74Å; F64-F107 HydrophobicContact CD2-CE2 3.74Å; F64-F107 HydrophobicContact CD2-CZ 4.22Å; F64-F107 HydrophobicContact CE2-CE2 4.12Å; F64-F107 HydrophobicContact CG-CE2 4.02Å; F64-F107 HydrophobicContact CG-CZ 4.44Å; F83-F107 HydrophobicContact CB-CZ 4.33Å; F83-F107 HydrophobicContact CD1-CE1 4.18Å; F83-F107 AromaticContact CD1-CE2 3.69Å; F83-F107 HydrophobicContact CD1-CE2 3.69Å; F83-F107 AromaticContact CD1-CZ 3.17Å; F83-F107 HydrophobicContact CD1-CZ 3.17Å; F83-F107 HydrophobicContact CD2-CE2 4.3Å; F83-F107 HydrophobicContact CD2-CZ 4.36Å; F83-F107 AromaticContact CE1-CE2 3.54Å; F83-F107 HydrophobicContact CE1-CE2 3.54Å; F83-F107 AromaticContact CE1-CZ 3.43Å; F83-F107 HydrophobicContact CE1-CZ 3.43Å; F83-F107 VanDerWaalsContact CE1-CZ 3.43Å; F83-F107 HydrophobicContact CE2-CE2 4.15Å; F83-F107 HydrophobicContact CG-CE1 4.49Å; F83-F107 HydrophobicContact CG-CE2 4.08Å; F83-F107 AromaticContact CG-CZ 3.69Å; F83-F107 HydrophobicContact CG-CZ 3.69Å; F83-F107 AromaticContact CZ-CE2 3.78Å; F83-F107 HydrophobicContact CZ-CE2 3.78Å; F83-F107 HydrophobicContact CZ-CZ 4.13Å; C103-F107 HydrophobicContact CB-CD2 3.9Å; C103-F107 HydrophobicContact CB-CE2 4.48Å; C103-F107 WeakPolarHBondContact O-CA 3.39Å; C103-F107 WeakPolarHBondContact O-CB 2.98Å; C103-F107 PolarHBondContact O-N 3.47Å; K104-F107 CarbonylContact C-O 3.6Å; K104-F107 VanDerWaalsContact O-O 3.08Å; F107-L109 HydrophobicContact CB-CD1 4.03Å; F107-L109 HydrophobicContact CB-CG 3.98Å; F107-L109 PolarHBondContact O-N 3.04Å
108	D	54.5	Low	59.6	Low	183 Å²	183	75.8 Å²	75.8	98%	0.979	39%	0.389	S	S	*	.			trans	-64.9	73.9	170.6	-78.2	-42	0	0	0	109.7
109	L	45.4	Very low	59.2	Low	152 Å²	152	76.1 Å²	76.1	80%	0.796	39%	0.388	S	S	*	.			trans	-101.1	0	172.6	-73.6	169.9	0	0	0	109.3	C103 F107	C103-L109 HydrophobicContact CB-CD1 4.27Å; F107-L109 HydrophobicContact CB-CD1 4.03Å; F107-L109 HydrophobicContact CB-CG 3.98Å; F107-L109 PolarHBondContact O-N 3.04Å

Retrieved 109 of 109 residues in 31.2 ms (Link to these results)

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