G4VBU4_SCHMA Loading...

Saposin containing protein

AlphaFold DB , UniProt , Accession G4VBU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 aa.

						>G4VBU4_SCHMA|G4VBU4
MMLITVLFIFCIFHPTSDAFKVSTVEENDYEMQNVTLECRLCLSGLSLAHYFMDDLYWRDVYMMGAKKLCTFISSEQIKNICNKYTSKYLPKILDEVGSLIGPGICTDFDVCKSTEVKMFTIQENNKI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.5	Low	50.6	Low	209 Å²	209	122 Å²	122	100%	1.03	63%	0.632	S	S	*	*				0	-51.2	0	-78.3	170	70	0	0	112.6	L3 I4 T5	M1-L3 PolarHBondContact O-N 3.12Å; M1-I4 PolarHBondContact O-N 2.78Å; M1-T5 PolarHBondContact O-OG1 2.73Å; M1-T5 VanDerWaalsContact O-OG1 3.05Å
2	M	49.3	Very low	50.7	Low	155 Å²	155	121.5 Å²	121.5	76%	0.764	63%	0.629	S	S	*	*	H	α-helix	trans	-61	-35.6	-177.1	-82	172.8	62.2	0	0	116.3	I4 T5 V6	M2-I4 PolarHBondContact O-N 3.35Å; M2-T5 PolarHBondContact O-OG1 3.17Å; M2-V6 VanDerWaalsContact O-CG2 3.23Å; M2-V6 WeakPolarHBondContact O-CG2 3.44Å; M2-V6 PolarHBondContact O-N 3.36Å
3	L	46.9	Very low	50.1	Low	139 Å²	139	123.8 Å²	123.8	73%	0.728	63%	0.632	S	S	*	*	H	α-helix	trans	-66.1	-38.1	-177.6	-102.2	102.5	0	0	0	113.3	M1 V6 L7	M1-L3 PolarHBondContact O-N 3.12Å; L3-V6 PolarHBondContact O-N 3.37Å; L3-L7 WeakPolarHBondContact O-CG 3.25Å; L3-L7 PolarHBondContact O-N 3.49Å
4	I	51.8	Low	48.9	Very low	120 Å²	120	122.4 Å²	122.4	62%	0.615	62%	0.621	S	S	*	*	H	α-helix	trans	-70	-41.1	-178	-63.1	169.8	0	0	0	109.8	M1 M2 L7 F8	M1-I4 PolarHBondContact O-N 2.78Å; M2-I4 PolarHBondContact O-N 3.35Å; I4-L7 PolarHBondContact O-N 3.33Å; I4-F8 HydrophobicContact CG2-CD2 4.49Å; I4-F8 PolarHBondContact O-N 2.99Å
5	T	53.1	Low	48.5	Very low	81 Å²	81	121.7 Å²	121.7	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-64.5	-38.6	174.1	16.2	0	0	0	0	112.4	M1 M2 F8 I9	M1-T5 PolarHBondContact O-OG1 2.73Å; M1-T5 VanDerWaalsContact O-OG1 3.05Å; M2-T5 PolarHBondContact O-OG1 3.17Å; T5-F8 PolarHBondContact O-N 3.4Å; T5-I9 WeakPolarHBondContact O-CB 3.37Å; T5-I9 VanDerWaalsContact O-CG1 3.23Å; T5-I9 WeakPolarHBondContact O-CG1 3.08Å; T5-I9 PolarHBondContact O-N 3.4Å
6	V	53.5	Low	47.8	Very low	81 Å²	81	120.9 Å²	120.9	49%	0.491	63%	0.63	S	S	.	*	H	α-helix	trans	-66.4	-42.2	177.1	173.1	0	0	0	0	111.5	M2 L3 I9 F10	M2-V6 VanDerWaalsContact O-CG2 3.23Å; M2-V6 WeakPolarHBondContact O-CG2 3.44Å; M2-V6 PolarHBondContact O-N 3.36Å; L3-V6 PolarHBondContact O-N 3.37Å; V6-I9 PolarHBondContact O-N 2.94Å; V6-F10 WeakPolarHBondContact O-CB 3.37Å; V6-F10 PolarHBondContact O-N 2.96Å
7	L	49.8	Very low	47.5	Very low	108 Å²	108	118.1 Å²	118.1	57%	0.565	62%	0.624	S	S	*	*	H	α-helix	trans	-64.2	-43.4	176.7	-72.2	168	0	0	0	111.7	L3 I4 I9 F10 C11	L3-L7 WeakPolarHBondContact O-CG 3.25Å; L3-L7 PolarHBondContact O-N 3.49Å; I4-L7 PolarHBondContact O-N 3.33Å; L7-I9 PolarHBondContact O-N 2.87Å; L7-F10 PolarHBondContact O-N 3.27Å; L7-C11 PolarHBondContact O-N 3.43Å; L7-C11 PolarHBondContact O-SG 3.36Å
8	F	53.6	Low	47.1	Very low	137 Å²	137	119.1 Å²	119.1	60%	0.601	63%	0.63	S	S	*	*	H	α-helix	trans	-60.9	-44.7	175.2	-112.1	-94	0	0	0	112.2	I4 T5 C11 I12	I4-F8 HydrophobicContact CG2-CD2 4.49Å; I4-F8 PolarHBondContact O-N 2.99Å; T5-F8 PolarHBondContact O-N 3.4Å; F8-C11 PolarHBondContact O-N 2.86Å; F8-I12 HydrophobicContact CD1-CD1 4.33Å; F8-I12 VanDerWaalsContact O-CG1 3.31Å; F8-I12 WeakPolarHBondContact O-CG1 3.49Å; F8-I12 PolarHBondContact O-N 3.21Å; F8-I12 VanDerWaalsContact O-N 3.1Å
9	I	53	Low	46.6	Very low	92 Å²	92	117.4 Å²	117.4	47%	0.472	63%	0.634	S	S	.	*	H	α-helix	trans	-64.1	-42.2	176.7	-68.7	170.6	0	0	0	110.5	T5 V6 L7 C11 I12 F13	T5-I9 WeakPolarHBondContact O-CB 3.37Å; T5-I9 VanDerWaalsContact O-CG1 3.23Å; T5-I9 WeakPolarHBondContact O-CG1 3.08Å; T5-I9 PolarHBondContact O-N 3.4Å; V6-I9 PolarHBondContact O-N 2.94Å; L7-I9 PolarHBondContact O-N 2.87Å; I9-C11 VanDerWaalsContact C-N 3.33Å; I9-C11 PolarHBondContact O-N 3.49Å; I9-I12 PolarHBondContact O-N 3.16Å; I9-F13 HydrophobicContact CB-CD2 4.44Å; I9-F13 HydrophobicContact CG2-CD2 3.64Å; I9-F13 HydrophobicContact CG2-CE2 4.14Å; I9-F13 HydrophobicContact CG2-CG 4.49Å; I9-F13 WeakPolarHBondContact O-CB 3.33Å; I9-F13 WeakPolarHBondContact O-CD2 3.43Å; I9-F13 PolarHBondContact O-N 3.07Å
10	F	46.6	Very low	46.1	Very low	125 Å²	125	115.5 Å²	115.5	55%	0.548	62%	0.62	S	S	.	*	H	α-helix	trans	-61.2	-42.2	177.9	-120.7	-90.8	0	0	0	112.1	V6 L7 I12 H14	V6-F10 WeakPolarHBondContact O-CB 3.37Å; V6-F10 PolarHBondContact O-N 2.96Å; L7-F10 PolarHBondContact O-N 3.27Å; F10-I12 VanDerWaalsContact C-N 3.35Å; F10-I12 PolarHBondContact O-N 2.84Å; F10-H14 AromaticContact CE1-ND1 3.81Å; F10-H14 PolarHBondContact O-N 2.85Å; F10-H14 VanDerWaalsContact O-N 3.11Å
11	C	47.4	Very low	45.3	Very low	95 Å²	95	116.9 Å²	116.9	64%	0.642	62%	0.62	S	S	*	*	H	α-helix	trans	-66.1	-33.8	177.3	-67.7	0	0	0	0	113.1	L7 F8 I9	L7-C11 PolarHBondContact O-N 3.43Å; L7-C11 PolarHBondContact O-SG 3.36Å; F8-C11 PolarHBondContact O-N 2.86Å; I9-C11 VanDerWaalsContact C-N 3.33Å; I9-C11 PolarHBondContact O-N 3.49Å
12	I	51.9	Low	44.9	Very low	116 Å²	116	108.9 Å²	108.9	60%	0.595	58%	0.583	S	S	*	*	H	α-helix	trans	-80.4	-39.1	179.6	-62.5	172.3	0	0	0	111.7	F8 I9 F10	F8-I12 HydrophobicContact CD1-CD1 4.33Å; F8-I12 VanDerWaalsContact O-CG1 3.31Å; F8-I12 WeakPolarHBondContact O-CG1 3.49Å; F8-I12 PolarHBondContact O-N 3.21Å; F8-I12 VanDerWaalsContact O-N 3.1Å; I9-I12 PolarHBondContact O-N 3.16Å; F10-I12 VanDerWaalsContact C-N 3.35Å; F10-I12 PolarHBondContact O-N 2.84Å
13	F	42.8	Very low	44.6	Very low	152 Å²	152	104.3 Å²	104.3	67%	0.667	57%	0.566	S	S	*	*	H	α-helix	trans	-97.8	-10.8	-169.1	-74.4	-86.9	0	0	0	115.6	I9 P15	I9-F13 HydrophobicContact CB-CD2 4.44Å; I9-F13 HydrophobicContact CG2-CD2 3.64Å; I9-F13 HydrophobicContact CG2-CE2 4.14Å; I9-F13 HydrophobicContact CG2-CG 4.49Å; I9-F13 WeakPolarHBondContact O-CB 3.33Å; I9-F13 WeakPolarHBondContact O-CD2 3.43Å; I9-F13 PolarHBondContact O-N 3.07Å; F13-P15 WeakPolarHBondContact O-CD 3.22Å
14	H	34.2	Very low	44.6	Very low	103 Å²	103	100.8 Å²	100.8	48%	0.477	55%	0.551	S	S	.	*			trans	-113.8	74.3	172.2	-86.3	93.9	0	0	0	112.2	F10 T16	F10-H14 AromaticContact CE1-ND1 3.81Å; F10-H14 PolarHBondContact O-N 2.85Å; F10-H14 VanDerWaalsContact O-N 3.11Å; H14-T16 PolarHBondContact O-N 3.19Å; H14-T16 VanDerWaalsContact O-N 3.13Å
15	P	42.2	Very low	44.4	Very low	112 Å²	112	98.3 Å²	98.3	73%	0.727	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	5.7	172.2	29.7	-34.2	0	0	0	114	F13	F13-P15 WeakPolarHBondContact O-CD 3.22Å
16	T	38.1	Very low	44.2	Very low	109 Å²	109	97.9 Å²	97.9	67%	0.669	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	5.4	-171.4	55.4	0	0	0	0	115.6	H14 D18	H14-T16 PolarHBondContact O-N 3.19Å; H14-T16 VanDerWaalsContact O-N 3.13Å; T16-D18 PolarHBondContact O-N 3.23Å
17	S	42.2	Very low	43.7	Very low	74 Å²	74	100.5 Å²	100.5	52%	0.517	54%	0.54	S	S	.	.			trans	-79.1	110.8	159.9	62.6	0	0	0	0	107.8	A19 F20	S17-A19 PolarHBondContact O-N 3.37Å; S17-F20 PolarHBondContact O-N 3.43Å
18	D	40.1	Very low	43.5	Very low	136 Å²	136	100.8 Å²	100.8	73%	0.727	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-51.2	-7.5	168	-64	-61.1	0	0	0	113.7	T16 F20	T16-D18 PolarHBondContact O-N 3.23Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 3.01Å
19	A	37.7	Very low	43.1	Very low	87 Å²	87	100 Å²	100	72%	0.719	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.8	179.2	0	0	0	0	0	115.6	S17	S17-A19 PolarHBondContact O-N 3.37Å
20	F	36	Very low	42.7	Very low	78 Å²	78	106.1 Å²	106.1	34%	0.342	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-145.3	63.7	-175.1	-151.4	-106.6	0	0	0	113.8	S17 D18 V22 L48 F52	S17-F20 PolarHBondContact O-N 3.43Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 3.01Å; F20-V22 VanDerWaalsContact C-N 3.26Å; F20-V22 HydrophobicContact CD1-CB 4.18Å; F20-V22 HydrophobicContact CD1-CG2 3.66Å; F20-V22 HydrophobicContact CD2-CG2 4.13Å; F20-V22 HydrophobicContact CE1-CB 3.79Å; F20-V22 HydrophobicContact CE1-CG2 3.11Å; F20-V22 HydrophobicContact CE2-CG2 3.65Å; F20-V22 HydrophobicContact CG-CG2 4.13Å; F20-V22 HydrophobicContact CZ-CB 4.24Å; F20-V22 HydrophobicContact CZ-CG2 3.11Å; F20-V22 PolarHBondContact O-N 3.19Å; F20-V22 VanDerWaalsContact O-N 3.11Å; F20-L48 HydrophobicContact CE1-CD1 3.31Å; F20-L48 HydrophobicContact CE1-CD2 4.35Å; F20-L48 HydrophobicContact CE1-CG 4.48Å; F20-L48 HydrophobicContact CE2-CD1 4.44Å; F20-L48 HydrophobicContact CZ-CD1 3.19Å; F20-F52 HydrophobicContact CE1-CZ 4.29Å; F20-F52 AromaticContact CE2-CE1 3.86Å; F20-F52 HydrophobicContact CE2-CE1 3.86Å; F20-F52 AromaticContact CE2-CZ 3.85Å; F20-F52 HydrophobicContact CE2-CZ 3.85Å; F20-F52 AromaticContact CZ-CE1 3.98Å; F20-F52 HydrophobicContact CZ-CE1 3.98Å; F20-F52 HydrophobicContact CZ-CE2 4.5Å; F20-F52 AromaticContact CZ-CZ 3.63Å; F20-F52 HydrophobicContact CZ-CZ 3.63Å
21	K	30.8	Very low	42.9	Very low	146 Å²	146	105.7 Å²	105.7	64%	0.635	56%	0.563	S	S	*	*			trans	-80.7	77.1	163.8	-73.1	-176.5	-176.4	171.8	0	109.6	S23 N125	K21-S23 PolarHBondContact O-N 3.34Å; K21-N125 PolarHBondContact O-ND2 2.04Å; K21-N125 VanDerWaalsContact O-ND2 3.1Å
22	V	41.2	Very low	43	Very low	40 Å²	40	102.9 Å²	102.9	24%	0.242	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.7	167	164.5	0	0	0	0	108.9	F20 I122	F20-V22 VanDerWaalsContact C-N 3.26Å; F20-V22 HydrophobicContact CD1-CB 4.18Å; F20-V22 HydrophobicContact CD1-CG2 3.66Å; F20-V22 HydrophobicContact CD2-CG2 4.13Å; F20-V22 HydrophobicContact CE1-CB 3.79Å; F20-V22 HydrophobicContact CE1-CG2 3.11Å; F20-V22 HydrophobicContact CE2-CG2 3.65Å; F20-V22 HydrophobicContact CG-CG2 4.13Å; F20-V22 HydrophobicContact CZ-CB 4.24Å; F20-V22 HydrophobicContact CZ-CG2 3.11Å; F20-V22 PolarHBondContact O-N 3.19Å; F20-V22 VanDerWaalsContact O-N 3.11Å; V22-I122 HydrophobicContact CB-CG2 4.18Å; V22-I122 HydrophobicContact CG1-CB 4.05Å; V22-I122 HydrophobicContact CG1-CD1 3.91Å; V22-I122 HydrophobicContact CG1-CG1 3.65Å; V22-I122 HydrophobicContact CG1-CG2 3.59Å; V22-I122 HydrophobicContact CG2-CG2 3.49Å; V22-I122 VanDerWaalsContact CG2-CG2 3.49Å
23	S	44	Very low	43.1	Very low	60 Å²	60	105.8 Å²	105.8	42%	0.42	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.6	116.6	165.4	-57.7	0	0	0	0	107.3	K21 V25 N125	K21-S23 PolarHBondContact O-N 3.34Å; S23-V25 PolarHBondContact O-N 3.31Å; S23-N125 PolarHBondContact OG-ND2 3.5Å
24	T	46.3	Very low	44	Very low	64 Å²	64	106 Å²	106	39%	0.393	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.9	109.2	167.7	48.5	0	0	0	0	107.5	E26 F120	T24-E26 PolarHBondContact O-N 3.06Å; T24-F120 HydrophobicContact CG2-CB 3.87Å; T24-F120 HydrophobicContact CG2-CD2 4.25Å; T24-F120 HydrophobicContact CG2-CG 4.04Å
25	V	47.3	Very low	45.9	Very low	68 Å²	68	102.3 Å²	102.3	41%	0.412	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.2	170.4	-177.7	0	0	0	0	106.8	S23 E27 T121	S23-V25 PolarHBondContact O-N 3.31Å; V25-E27 VanDerWaalsContact C-N 3.35Å; V25-E27 PolarHBondContact O-N 2.94Å; V25-T121 PolarHBondContact N-O 3.47Å
26	E	49.4	Very low	47.8	Very low	72 Å²	72	99.8 Å²	99.8	34%	0.336	53%	0.527	S	S	.	.			trans	-66.9	91.1	169.1	-89.9	-170.2	161.5	0	0	108.4	T24 N28 M32 F120	T24-E26 PolarHBondContact O-N 3.06Å; E26-N28 PolarHBondContact O-N 3.15Å; E26-M32 HydrophobicContact CB-CE 3.33Å; E26-M32 HydrophobicContact CB-SD 4.2Å; E26-M32 HydrophobicContact CG-CE 3.24Å; E26-M32 HydrophobicContact CG-SD 3.43Å; E26-M32 WeakPolarHBondContact CG-SD 3.33Å; E26-F120 HydrophobicContact CG-CD1 4.17Å; E26-F120 HydrophobicContact CG-CE1 3.79Å
27	E	43	Very low	49.9	Very low	137 Å²	137	99.9 Å²	99.9	64%	0.64	52%	0.523	S	S	*	.	S	Bend	trans	-70.3	99.1	171.2	-96.5	-169.5	164.8	0	0	109.3	V25	V25-E27 VanDerWaalsContact C-N 3.35Å; V25-E27 PolarHBondContact O-N 2.94Å
28	N	45.2	Very low	51.8	Low	113 Å²	113	103 Å²	103	60%	0.604	53%	0.529	S	S	*	.			trans	86.4	93.5	176.5	-50.6	-65.2	0	0	0	115.2	E26 Y30 M32	E26-N28 PolarHBondContact O-N 3.15Å; N28-Y30 PolarHBondContact O-N 2.85Å; N28-M32 WeakPolarHBondContact O-CE 3.47Å
29	D	45.6	Very low	53.9	Low	121 Å²	121	96.6 Å²	96.6	65%	0.647	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-18.2	169.1	-84.4	-48.4	0	0	0	115.3
30	Y	44.7	Very low	55.9	Low	220 Å²	220	97.2 Å²	97.2	86%	0.863	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.5	-167.8	-116.6	-89.9	0	0	0	115.1	N28	N28-Y30 PolarHBondContact O-N 2.85Å
31	E	50.1	Low	58.1	Low	117 Å²	117	99 Å²	99	55%	0.547	49%	0.492	S	S	.	.	S	Bend	trans	-101.7	-8.9	179.7	-82.2	-177.2	172.1	0	0	114.2
32	M	50.9	Low	60.6	Low	35 Å²	35	93.5 Å²	93.5	17%	0.172	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-87.4	-8.4	-176.9	-82.7	175	-60.3	0	0	115.8	E26 N28 N34 V35 F120	E26-M32 HydrophobicContact CB-CE 3.33Å; E26-M32 HydrophobicContact CB-SD 4.2Å; E26-M32 HydrophobicContact CG-CE 3.24Å; E26-M32 HydrophobicContact CG-SD 3.43Å; E26-M32 WeakPolarHBondContact CG-SD 3.33Å; N28-M32 WeakPolarHBondContact O-CE 3.47Å; M32-N34 PolarHBondContact O-N 3.27Å; M32-V35 HydrophobicContact CB-CG2 4.46Å; M32-V35 HydrophobicContact CG-CG2 4.13Å; M32-V35 PolarHBondContact O-N 3.13Å; M32-V35 VanDerWaalsContact O-N 3.09Å; M32-F120 HydrophobicContact SD-CE1 3.89Å
33	Q	53.9	Low	62.7	Low	177 Å²	177	91.8 Å²	91.8	83%	0.827	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-59.1	-21.2	178.3	-83.1	-171.5	8.4	0	0	113.5
34	N	61.6	Low	64.6	Low	157 Å²	157	90.9 Å²	90.9	84%	0.84	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-108.8	11	-179.6	-70.4	-22.4	0	0	0	114.4	M32	M32-N34 PolarHBondContact O-N 3.27Å
35	V	73.6	Confident	66.3	Low	26 Å²	26	89.5 Å²	89.5	16%	0.158	45%	0.453	C	S	.	.			trans	-90	123.6	-177.4	-175.6	0	0	0	0	110.4	M32 C39 R40 V117	M32-V35 HydrophobicContact CB-CG2 4.46Å; M32-V35 HydrophobicContact CG-CG2 4.13Å; M32-V35 PolarHBondContact O-N 3.13Å; M32-V35 VanDerWaalsContact O-N 3.09Å; V35-C39 HydrophobicContact CG1-CB 3.54Å; V35-C39 WeakPolarHBondContact CG1-SG 3.49Å; V35-R40 HydrophobicContact CB-CG 4.47Å; V35-R40 HydrophobicContact CG1-CG 3.84Å; V35-V117 HydrophobicContact CG2-CG1 4.35Å
36	T	82.6	Confident	68.1	Low	58 Å²	58	87.6 Å²	87.6	36%	0.356	44%	0.44	S	S	.	.			trans	-64	157	179.2	63.9	0	0	0	0	111.1	E38 C39 R40 V111	T36-E38 PolarHBondContact O-N 3.17Å; T36-C39 PolarHBondContact O-N 2.84Å; T36-C39 VanDerWaalsContact OG1-CB 3.29Å; T36-C39 WeakPolarHBondContact OG1-CB 3.44Å; T36-C39 PolarHBondContact OG1-N 3.34Å; T36-C39 VanDerWaalsContact OG1-N 3.1Å; T36-R40 PolarHBondContact O-N 2.8Å; T36-V111 PolarHBondContact OG1-O 2.85Å
37	L	82.4	Confident	69.7	Low	112 Å²	112	84.4 Å²	84.4	59%	0.586	43%	0.426	S	S	*	.	H	α-helix	trans	-57.3	-40.8	173.2	178.4	62.8	0	0	0	111.5	C39 R40 L41	L37-C39 VanDerWaalsContact C-N 3.34Å; L37-C39 PolarHBondContact O-N 3.35Å; L37-R40 PolarHBondContact O-N 3.47Å; L37-L41 HydrophobicContact CD1-CD1 4.48Å; L37-L41 HydrophobicContact CD1-CG 4.38Å; L37-L41 HydrophobicContact CG-CD1 4.16Å; L37-L41 HydrophobicContact CG-CG 4.48Å; L37-L41 WeakPolarHBondContact O-CG 3.25Å; L37-L41 PolarHBondContact O-N 2.62Å
38	E	81.7	Confident	71.6	Confident	138 Å²	138	80 Å²	80	65%	0.645	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-43.9	178.2	-59.1	174	163.7	0	0	111.1	T36 L41 C42 V111	T36-E38 PolarHBondContact O-N 3.17Å; E38-L41 PolarHBondContact O-N 3.48Å; E38-C42 PolarHBondContact O-N 3.11Å; E38-V111 HydrophobicContact CB-CG1 3.61Å; E38-V111 WeakPolarHBondContact O-CG1 3.06Å
39	C	83.3	Confident	73.3	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.02	39%	0.392	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.9	177	0	0	0	0	111.5	V35 T36 L37 L41 C42 L43 V111 C112	V35-C39 HydrophobicContact CG1-CB 3.54Å; V35-C39 WeakPolarHBondContact CG1-SG 3.49Å; T36-C39 PolarHBondContact O-N 2.84Å; T36-C39 VanDerWaalsContact OG1-CB 3.29Å; T36-C39 WeakPolarHBondContact OG1-CB 3.44Å; T36-C39 PolarHBondContact OG1-N 3.34Å; T36-C39 VanDerWaalsContact OG1-N 3.1Å; L37-C39 VanDerWaalsContact C-N 3.34Å; L37-C39 PolarHBondContact O-N 3.35Å; C39-L41 PolarHBondContact O-N 3.19Å; C39-C42 PolarHBondContact O-N 3.42Å; C39-L43 WeakPolarHBondContact O-CB 3.1Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.07Å; C39-L43 PolarHBondContact O-N 2.93Å; C39-V111 WeakPolarHBondContact CB-O 3.4Å; C39-C112 WeakPolarHBondContact CA-SG 3.29Å; C39-C112 HydrophobicContact CB-CB 4Å; C39-C112 WeakPolarHBondContact CB-SG 3.04Å; C39-C112 VanDerWaalsContact SG-CA 3.58Å; C39-C112 WeakPolarHBondContact SG-CB 3.35Å; C39-C112 CovalentContact SG-SG 2.01Å; C39-C112 PolarHBondContact SG-SG 3.31Å
40	R	81	Confident	75	Confident	100 Å²	100	73.3 Å²	73.3	38%	0.377	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-44.3	174.6	-74.7	-172.3	-69.7	-158.5	-3.7	112.2	V35 T36 L37 C42 L43 S44	V35-R40 HydrophobicContact CB-CG 4.47Å; V35-R40 HydrophobicContact CG1-CG 3.84Å; T36-R40 PolarHBondContact O-N 2.8Å; L37-R40 PolarHBondContact O-N 3.47Å; R40-C42 VanDerWaalsContact C-N 3.33Å; R40-C42 PolarHBondContact O-N 3.36Å; R40-L43 PolarHBondContact O-N 2.98Å; R40-S44 WeakPolarHBondContact O-CB 3.49Å; R40-S44 PolarHBondContact O-N 3.26Å; R40-S44 PolarHBondContact O-OG 2.85Å
41	L	81.6	Confident	76.7	Confident	115 Å²	115	64.5 Å²	64.5	60%	0.602	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-41.6	177.6	-73	172.3	0	0	0	111.7	L37 E38 C39 G45	L37-L41 HydrophobicContact CD1-CD1 4.48Å; L37-L41 HydrophobicContact CD1-CG 4.38Å; L37-L41 HydrophobicContact CG-CD1 4.16Å; L37-L41 HydrophobicContact CG-CG 4.48Å; L37-L41 WeakPolarHBondContact O-CG 3.25Å; L37-L41 PolarHBondContact O-N 2.62Å; E38-L41 PolarHBondContact O-N 3.48Å; C39-L41 PolarHBondContact O-N 3.19Å; L41-G45 PolarHBondContact O-N 2.66Å
42	C	84.1	Confident	78	Confident	30 Å²	30	60.7 Å²	60.7	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-52	175	-178.1	0	0	0	0	111.3	E38 C39 R40 S44 G45 L46 C106 V111	E38-C42 PolarHBondContact O-N 3.11Å; C39-C42 PolarHBondContact O-N 3.42Å; R40-C42 VanDerWaalsContact C-N 3.33Å; R40-C42 PolarHBondContact O-N 3.36Å; C42-S44 VanDerWaalsContact C-N 3.32Å; C42-S44 PolarHBondContact O-N 3Å; C42-G45 PolarHBondContact O-N 2.89Å; C42-G45 VanDerWaalsContact O-N 3.16Å; C42-L46 WeakPolarHBondContact O-CG 3.4Å; C42-L46 PolarHBondContact O-N 3.44Å; C42-C106 HydrophobicContact CB-CB 3.9Å; C42-C106 WeakPolarHBondContact CB-SG 3.34Å; C42-C106 WeakPolarHBondContact SG-CA 3.34Å; C42-C106 WeakPolarHBondContact SG-CB 3.43Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.03Å; C42-V111 HydrophobicContact CB-CG1 4.13Å
43	L	85	Confident	79.4	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-40.9	179.5	-69.9	169.9	0	0	0	111.7	C39 R40 L46 S47 P103 C106 V117 F120	C39-L43 WeakPolarHBondContact O-CB 3.1Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.07Å; C39-L43 PolarHBondContact O-N 2.93Å; R40-L43 PolarHBondContact O-N 2.98Å; L43-L46 PolarHBondContact O-N 3.31Å; L43-S47 VanDerWaalsContact O-CB 3.27Å; L43-S47 WeakPolarHBondContact O-CB 3.48Å; L43-S47 PolarHBondContact O-N 3.31Å; L43-S47 PolarHBondContact O-OG 3.22Å; L43-P103 HydrophobicContact CD2-CB 3.94Å; L43-C106 HydrophobicContact CD2-CB 4.42Å; L43-C106 PolarHBondContact N-SG 2.93Å; L43-V117 HydrophobicContact CD1-CB 3.86Å; L43-V117 HydrophobicContact CD1-CG1 4.27Å; L43-V117 HydrophobicContact CD1-CG2 4.33Å; L43-V117 HydrophobicContact CD2-CB 4.3Å; L43-V117 HydrophobicContact CD2-CG2 4.04Å; L43-F120 HydrophobicContact CB-CD2 4.05Å; L43-F120 HydrophobicContact CB-CE2 3.48Å; L43-F120 VanDerWaalsContact CB-CE2 3.48Å; L43-F120 HydrophobicContact CB-CZ 4.24Å
44	S	83.2	Confident	80.4	Confident	41 Å²	41	55.6 Å²	55.6	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-44.3	175.3	-67.1	0	0	0	0	112	R40 C42 S47 L48 F120	R40-S44 WeakPolarHBondContact O-CB 3.49Å; R40-S44 PolarHBondContact O-N 3.26Å; R40-S44 PolarHBondContact O-OG 2.85Å; C42-S44 VanDerWaalsContact C-N 3.32Å; C42-S44 PolarHBondContact O-N 3Å; S44-S47 PolarHBondContact O-N 3.21Å; S44-L48 VanDerWaalsContact O-CB 3.27Å; S44-L48 WeakPolarHBondContact O-CB 3.11Å; S44-L48 PolarHBondContact O-N 2.92Å; S44-F120 VanDerWaalsContact OG-CE2 3.31Å; S44-F120 WeakPolarHBondContact OG-CE2 3.45Å
45	G	82.7	Confident	81.3	Confident	35 Å²	35	50.2 Å²	50.2	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-42.1	176.3	0	0	0	0	0	112.7	L41 C42 L48 A49	L41-G45 PolarHBondContact O-N 2.66Å; C42-G45 PolarHBondContact O-N 2.89Å; C42-G45 VanDerWaalsContact O-N 3.16Å; G45-L48 PolarHBondContact O-N 3.17Å; G45-A49 WeakPolarHBondContact O-CB 3.47Å; G45-A49 PolarHBondContact O-N 3.4Å
46	L	85.2	Confident	81.6	Confident	27 Å²	27	55.4 Å²	55.4	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-70.3	-41.1	176.8	-68.2	-176.2	0	0	0	112.4	C42 L43 L48 A49 H50 I101 G102 I105 C106	C42-L46 WeakPolarHBondContact O-CG 3.4Å; C42-L46 PolarHBondContact O-N 3.44Å; L43-L46 PolarHBondContact O-N 3.31Å; L46-L48 PolarHBondContact O-N 2.93Å; L46-A49 PolarHBondContact O-N 3.2Å; L46-H50 VanDerWaalsContact O-CB 3.32Å; L46-H50 WeakPolarHBondContact O-CB 3.42Å; L46-H50 PolarHBondContact O-N 3.28Å; L46-I101 HydrophobicContact CB-CG2 4.07Å; L46-I101 HydrophobicContact CD2-CG2 4.22Å; L46-I101 WeakPolarHBondContact O-CG2 3.27Å; L46-G102 WeakPolarHBondContact CD1-O 3.01Å; L46-I105 HydrophobicContact CD1-CB 3.66Å; L46-I105 HydrophobicContact CD1-CG2 3.89Å; L46-I105 HydrophobicContact CD2-CD1 4.26Å; L46-I105 HydrophobicContact CD2-CG2 4.13Å; L46-C106 WeakPolarHBondContact CD1-SG 3.32Å
47	S	83.6	Confident	81.6	Confident	5 Å²	5	59.7 Å²	59.7	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-40	175.9	-55.2	0	0	0	0	110.5	L43 S44 H50 Y51 F120 I122	L43-S47 VanDerWaalsContact O-CB 3.27Å; L43-S47 WeakPolarHBondContact O-CB 3.48Å; L43-S47 PolarHBondContact O-N 3.31Å; L43-S47 PolarHBondContact O-OG 3.22Å; S44-S47 PolarHBondContact O-N 3.21Å; S47-H50 PolarHBondContact O-N 3.46Å; S47-Y51 WeakPolarHBondContact O-CB 3.28Å; S47-Y51 PolarHBondContact O-N 2.97Å; S47-F120 WeakPolarHBondContact CB-O 3.49Å; S47-F120 PolarHBondContact OG-N 3.1Å; S47-F120 PolarHBondContact OG-O 3.21Å; S47-I122 WeakPolarHBondContact O-CD1 3.33Å
48	L	81.3	Confident	81.7	Confident	46 Å²	46	57.6 Å²	57.6	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-45.3	174.3	-178.1	58.4	0	0	0	112.5	F20 S44 G45 L46 Y51 F52 I122	F20-L48 HydrophobicContact CE1-CD1 3.31Å; F20-L48 HydrophobicContact CE1-CD2 4.35Å; F20-L48 HydrophobicContact CE1-CG 4.48Å; F20-L48 HydrophobicContact CE2-CD1 4.44Å; F20-L48 HydrophobicContact CZ-CD1 3.19Å; S44-L48 VanDerWaalsContact O-CB 3.27Å; S44-L48 WeakPolarHBondContact O-CB 3.11Å; S44-L48 PolarHBondContact O-N 2.92Å; G45-L48 PolarHBondContact O-N 3.17Å; L46-L48 PolarHBondContact O-N 2.93Å; L48-Y51 PolarHBondContact O-N 3.47Å; L48-F52 HydrophobicContact CD1-CD2 3.86Å; L48-F52 HydrophobicContact CD1-CE1 4.31Å; L48-F52 HydrophobicContact CD1-CE2 3.24Å; L48-F52 HydrophobicContact CD1-CZ 3.51Å; L48-F52 HydrophobicContact CD2-CE2 3.97Å; L48-F52 HydrophobicContact CG-CD2 3.86Å; L48-F52 HydrophobicContact CG-CE2 3.41Å; L48-F52 VanDerWaalsContact CG-CE2 3.41Å; L48-F52 HydrophobicContact CG-CZ 4.18Å; L48-F52 WeakPolarHBondContact O-CD2 3.37Å; L48-F52 WeakPolarHBondContact O-CG 3.36Å; L48-F52 PolarHBondContact O-N 3.42Å; L48-I122 HydrophobicContact CB-CD1 3.99Å; L48-I122 HydrophobicContact CD1-CD1 3.97Å
49	A	81.4	Confident	81.8	Confident	36 Å²	36	53.4 Å²	53.4	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-45	175.2	0	0	0	0	0	111.4	G45 L46 Y51 F52 M53 I101	G45-A49 WeakPolarHBondContact O-CB 3.47Å; G45-A49 PolarHBondContact O-N 3.4Å; L46-A49 PolarHBondContact O-N 3.2Å; A49-Y51 PolarHBondContact O-N 2.82Å; A49-F52 PolarHBondContact O-N 2.86Å; A49-M53 VanDerWaalsContact O-CG 3.28Å; A49-M53 WeakPolarHBondContact O-CG 3.37Å; A49-M53 PolarHBondContact O-N 3.49Å; A49-I101 HydrophobicContact CB-CD1 4.02Å
50	H	81.3	Confident	82	Confident	56 Å²	56	58.1 Å²	58.1	26%	0.259	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-47	176.8	-172.8	-79.7	0	0	0	110.9	L46 S47 F52 M53 D54 I101 M119	L46-H50 VanDerWaalsContact O-CB 3.32Å; L46-H50 WeakPolarHBondContact O-CB 3.42Å; L46-H50 PolarHBondContact O-N 3.28Å; S47-H50 PolarHBondContact O-N 3.46Å; H50-F52 PolarHBondContact O-N 3.36Å; H50-M53 PolarHBondContact O-N 3.47Å; H50-D54 IonicContact CE1-OD2 2.89Å; H50-D54 PolarHBondContact CE1-OD2 3.4Å; H50-D54 IonicContact ND1-OD2 3.59Å; H50-D54 IonicContact NE2-OD2 3.34Å; H50-D54 PolarHBondContact NE2-OD2 2.78Å; H50-D54 WeakPolarHBondContact O-CB 3.2Å; H50-D54 PolarHBondContact O-N 2.99Å; H50-I101 HydrophobicContact CB-CB 4.45Å; H50-I101 HydrophobicContact CB-CG2 3.83Å; H50-I101 PolarHBondContact CD2-O 2.98Å; H50-M119 HydrophobicContact CB-SD 4.22Å
51	Y	79.6	Confident	82.3	Confident	35 Å²	35	55.6 Å²	55.6	14%	0.137	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-49.3	175	179.3	-99	0	0	0	112.2	S47 L48 A49 M53 D54 D55 I122 E124	S47-Y51 WeakPolarHBondContact O-CB 3.28Å; S47-Y51 PolarHBondContact O-N 2.97Å; L48-Y51 PolarHBondContact O-N 3.47Å; A49-Y51 PolarHBondContact O-N 2.82Å; Y51-M53 VanDerWaalsContact C-N 3.29Å; Y51-M53 PolarHBondContact O-N 3.14Å; Y51-D54 PolarHBondContact O-N 3.32Å; Y51-D55 WeakPolarHBondContact O-CB 3.43Å; Y51-D55 PolarHBondContact O-N 2.99Å; Y51-I122 HydrophobicContact CD1-CG2 4.23Å; Y51-I122 HydrophobicContact CD2-CB 4.04Å; Y51-I122 HydrophobicContact CD2-CG2 3.84Å; Y51-I122 HydrophobicContact CE2-CG2 4.16Å; Y51-I122 HydrophobicContact CG-CB 4.19Å; Y51-I122 HydrophobicContact CG-CD1 4.43Å; Y51-I122 HydrophobicContact CG-CG2 3.88Å; Y51-E124 VanDerWaalsContact OH-CG 3.23Å; Y51-E124 WeakPolarHBondContact OH-CG 3.21Å; Y51-E124 PolarHBondContact OH-OE1 3.22Å
52	F	78.7	Confident	82.6	Confident	38 Å²	38	54.1 Å²	54.1	17%	0.167	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-29.3	178.7	-68.9	-44	0	0	0	113.5	F20 L48 A49 H50 W58 Y62	F20-F52 HydrophobicContact CE1-CZ 4.29Å; F20-F52 AromaticContact CE2-CE1 3.86Å; F20-F52 HydrophobicContact CE2-CE1 3.86Å; F20-F52 AromaticContact CE2-CZ 3.85Å; F20-F52 HydrophobicContact CE2-CZ 3.85Å; F20-F52 AromaticContact CZ-CE1 3.98Å; F20-F52 HydrophobicContact CZ-CE1 3.98Å; F20-F52 HydrophobicContact CZ-CE2 4.5Å; F20-F52 AromaticContact CZ-CZ 3.63Å; F20-F52 HydrophobicContact CZ-CZ 3.63Å; L48-F52 HydrophobicContact CD1-CD2 3.86Å; L48-F52 HydrophobicContact CD1-CE1 4.31Å; L48-F52 HydrophobicContact CD1-CE2 3.24Å; L48-F52 HydrophobicContact CD1-CZ 3.51Å; L48-F52 HydrophobicContact CD2-CE2 3.97Å; L48-F52 HydrophobicContact CG-CD2 3.86Å; L48-F52 HydrophobicContact CG-CE2 3.41Å; L48-F52 VanDerWaalsContact CG-CE2 3.41Å; L48-F52 HydrophobicContact CG-CZ 4.18Å; L48-F52 WeakPolarHBondContact O-CD2 3.37Å; L48-F52 WeakPolarHBondContact O-CG 3.36Å; L48-F52 PolarHBondContact O-N 3.42Å; A49-F52 PolarHBondContact O-N 2.86Å; H50-F52 PolarHBondContact O-N 3.36Å; F52-W58 HydrophobicContact CB-CG 4.42Å; F52-W58 AromaticContact CD1-CD1 3.59Å; F52-W58 AromaticContact CD1-CD2 3.55Å; F52-W58 HydrophobicContact CD1-CD2 3.55Å; F52-W58 AromaticContact CD1-CE2 3.32Å; F52-W58 HydrophobicContact CD1-CE3 4.28Å; F52-W58 AromaticContact CD1-CG 3.71Å; F52-W58 HydrophobicContact CD1-CG 3.71Å; F52-W58 AromaticContact CD1-CZ2 3.88Å; F52-W58 HydrophobicContact CD1-CZ2 3.88Å; F52-W58 AromaticContact CD1-NE1 3.35Å; F52-W58 HydrophobicContact CE1-CD2 4.01Å; F52-W58 AromaticContact CE1-CE2 3.34Å; F52-W58 HydrophobicContact CE1-CH2 4.13Å; F52-W58 AromaticContact CE1-CZ2 3.41Å; F52-W58 HydrophobicContact CE1-CZ2 3.41Å; F52-W58 VanDerWaalsContact CE1-CZ2 3.41Å; F52-W58 AromaticContact CE1-NE1 3.52Å; F52-W58 HydrophobicContact CG-CD2 4.45Å; F52-W58 HydrophobicContact CZ-CZ2 4.33Å; F52-W58 WeakPolarHBondContact O-CB 3.44Å; F52-Y62 WeakPolarHBondContact O-CE2 3.36Å
53	M	78.9	Confident	82.8	Confident	35 Å²	35	54 Å²	54	17%	0.172	27%	0.274	C	S	.	.	H	α-helix	trans	-80.4	-33.9	178.7	-68.1	-50.8	-136.1	0	0	113	A49 H50 Y51 R59 Y62 L94 V97 I101	A49-M53 VanDerWaalsContact O-CG 3.28Å; A49-M53 WeakPolarHBondContact O-CG 3.37Å; A49-M53 PolarHBondContact O-N 3.49Å; H50-M53 PolarHBondContact O-N 3.47Å; Y51-M53 VanDerWaalsContact C-N 3.29Å; Y51-M53 PolarHBondContact O-N 3.14Å; M53-R59 VanDerWaalsContact O-CG 3.3Å; M53-R59 WeakPolarHBondContact O-CG 3.39Å; M53-R59 PolarHBondContact O-NE 3.31Å; M53-Y62 HydrophobicContact SD-CE2 3.87Å; M53-L94 HydrophobicContact CE-CD2 4.12Å; M53-L94 HydrophobicContact SD-CD2 3.9Å; M53-V97 HydrophobicContact CE-CB 4.02Å; M53-V97 HydrophobicContact CE-CG1 3.38Å; M53-I101 HydrophobicContact CB-CD1 4.46Å; M53-I101 HydrophobicContact CG-CD1 3.84Å
54	D	76.6	Confident	83.1	Confident	69 Å²	69	59.4 Å²	59.4	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-92.8	-25.4	-175.4	-83.1	-4.3	0	0	0	114.2	H50 Y51 L56 R59	H50-D54 IonicContact CE1-OD2 2.89Å; H50-D54 PolarHBondContact CE1-OD2 3.4Å; H50-D54 IonicContact ND1-OD2 3.59Å; H50-D54 IonicContact NE2-OD2 3.34Å; H50-D54 PolarHBondContact NE2-OD2 2.78Å; H50-D54 WeakPolarHBondContact O-CB 3.2Å; H50-D54 PolarHBondContact O-N 2.99Å; Y51-D54 PolarHBondContact O-N 3.32Å; D54-L56 PolarHBondContact O-N 3.32Å; D54-R59 IonicContact OD1-NH2 2.85Å; D54-R59 PolarHBondContact OD1-NH2 2.94Å
55	D	79.3	Confident	83.4	Confident	44 Å²	44	59.3 Å²	59.3	24%	0.235	31%	0.306	C	S	.	.	S	Bend	trans	-68.5	130.7	179.1	-173.6	-81.5	0	0	0	111.7	Y51 Y57 W58 R59	Y51-D55 WeakPolarHBondContact O-CB 3.43Å; Y51-D55 PolarHBondContact O-N 2.99Å; D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 2.84Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.41Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.49Å; D55-Y57 PolarHBondContact OD1-N 2.75Å; D55-W58 PolarHBondContact O-N 3.37Å; D55-R59 WeakPolarHBondContact O-CG 3.37Å; D55-R59 PolarHBondContact O-N 3.44Å
56	L	80.8	Confident	83.7	Confident	135 Å²	135	58.5 Å²	58.5	71%	0.707	30%	0.296	S	S	*	.	H	α-helix	trans	-60.1	-35.5	-176.3	-69.5	173.3	0	0	0	112.6	D54 R59 D60	D54-L56 PolarHBondContact O-N 3.32Å; L56-R59 PolarHBondContact O-N 2.87Å; L56-D60 PolarHBondContact O-N 3.4Å
57	Y	82.8	Confident	84	Confident	149 Å²	149	61.8 Å²	61.8	58%	0.584	31%	0.309	S	S	*	.	H	α-helix	trans	-63.9	-46.5	178.6	170.1	-94.5	0	0	0	110.7	D55 D60 V61	D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 2.84Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.41Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.49Å; D55-Y57 PolarHBondContact OD1-N 2.75Å; Y57-D60 WeakPolarHBondContact O-CB 3.45Å; Y57-D60 PolarHBondContact O-N 3.45Å; Y57-V61 HydrophobicContact CD1-CG2 4.35Å; Y57-V61 HydrophobicContact CE1-CG2 3.95Å; Y57-V61 HydrophobicContact CE2-CG2 4.49Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 2.87Å
58	W	82.8	Confident	84.4	Confident	67 Å²	67	67.7 Å²	67.7	25%	0.254	33%	0.334	S	S	.	.	H	α-helix	trans	-69.7	-36.2	179.8	-71.9	100.7	0	0	0	112.4	F52 D55 D60 V61 Y62	F52-W58 HydrophobicContact CB-CG 4.42Å; F52-W58 AromaticContact CD1-CD1 3.59Å; F52-W58 AromaticContact CD1-CD2 3.55Å; F52-W58 HydrophobicContact CD1-CD2 3.55Å; F52-W58 AromaticContact CD1-CE2 3.32Å; F52-W58 HydrophobicContact CD1-CE3 4.28Å; F52-W58 AromaticContact CD1-CG 3.71Å; F52-W58 HydrophobicContact CD1-CG 3.71Å; F52-W58 AromaticContact CD1-CZ2 3.88Å; F52-W58 HydrophobicContact CD1-CZ2 3.88Å; F52-W58 AromaticContact CD1-NE1 3.35Å; F52-W58 HydrophobicContact CE1-CD2 4.01Å; F52-W58 AromaticContact CE1-CE2 3.34Å; F52-W58 HydrophobicContact CE1-CH2 4.13Å; F52-W58 AromaticContact CE1-CZ2 3.41Å; F52-W58 HydrophobicContact CE1-CZ2 3.41Å; F52-W58 VanDerWaalsContact CE1-CZ2 3.41Å; F52-W58 AromaticContact CE1-NE1 3.52Å; F52-W58 HydrophobicContact CG-CD2 4.45Å; F52-W58 HydrophobicContact CZ-CZ2 4.33Å; F52-W58 WeakPolarHBondContact O-CB 3.44Å; D55-W58 PolarHBondContact O-N 3.37Å; W58-D60 VanDerWaalsContact C-N 3.31Å; W58-D60 PolarHBondContact O-N 3.24Å; W58-V61 HydrophobicContact CE3-CB 4.44Å; W58-V61 HydrophobicContact CE3-CG1 4.44Å; W58-V61 WeakPolarHBondContact O-CB 3.38Å; W58-V61 PolarHBondContact O-N 3.07Å; W58-V61 VanDerWaalsContact O-N 3.14Å; W58-Y62 HydrophobicContact CB-CE2 4.22Å; W58-Y62 WeakPolarHBondContact O-CD2 3.48Å; W58-Y62 PolarHBondContact O-N 3.25Å
59	R	84.5	Confident	84.8	Confident	50 Å²	50	71 Å²	71	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-56.3	-45.5	169.4	-72.8	174.4	168.9	-132.1	-0.9	111.7	M53 D54 D55 L56 V61 Y62 M63 L94 D95	M53-R59 VanDerWaalsContact O-CG 3.3Å; M53-R59 WeakPolarHBondContact O-CG 3.39Å; M53-R59 PolarHBondContact O-NE 3.31Å; D54-R59 IonicContact OD1-NH2 2.85Å; D54-R59 PolarHBondContact OD1-NH2 2.94Å; D55-R59 WeakPolarHBondContact O-CG 3.37Å; D55-R59 PolarHBondContact O-N 3.44Å; L56-R59 PolarHBondContact O-N 2.87Å; R59-V61 VanDerWaalsContact C-N 3.34Å; R59-V61 PolarHBondContact O-N 2.97Å; R59-Y62 PolarHBondContact O-N 3.43Å; R59-M63 WeakPolarHBondContact O-CB 3.4Å; R59-M63 WeakPolarHBondContact O-CG 3.3Å; R59-M63 PolarHBondContact O-N 3.45Å; R59-L94 HydrophobicContact CG-CD1 4.4Å; R59-D95 IonicContact CZ-OD1 2.66Å; R59-D95 IonicContact NH1-OD1 3.4Å; R59-D95 PolarHBondContact NH1-OD1 3.41Å; R59-D95 IonicContact NH2-OD1 3.18Å; R59-D95 PolarHBondContact NH2-OD1 2.88Å
60	D	87.3	Confident	85.4	Confident	102 Å²	102	69.2 Å²	69.2	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-40	175.7	-80	-19.6	0	0	0	112	L56 Y57 W58 M63 M64	L56-D60 PolarHBondContact O-N 3.4Å; Y57-D60 WeakPolarHBondContact O-CB 3.45Å; Y57-D60 PolarHBondContact O-N 3.45Å; W58-D60 VanDerWaalsContact C-N 3.31Å; W58-D60 PolarHBondContact O-N 3.24Å; D60-M63 PolarHBondContact O-N 3.21Å; D60-M64 WeakPolarHBondContact O-CB 3.05Å; D60-M64 VanDerWaalsContact O-CG 3.28Å; D60-M64 WeakPolarHBondContact O-CG 3.33Å; D60-M64 PolarHBondContact O-N 3.38Å
61	V	88	Confident	85.9	Confident	47 Å²	47	70.2 Å²	70.2	29%	0.285	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-46.1	174.7	172.4	0	0	0	0	111.6	Y57 W58 R59 M63 M64 G65	Y57-V61 HydrophobicContact CD1-CG2 4.35Å; Y57-V61 HydrophobicContact CE1-CG2 3.95Å; Y57-V61 HydrophobicContact CE2-CG2 4.49Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 2.87Å; W58-V61 HydrophobicContact CE3-CB 4.44Å; W58-V61 HydrophobicContact CE3-CG1 4.44Å; W58-V61 WeakPolarHBondContact O-CB 3.38Å; W58-V61 PolarHBondContact O-N 3.07Å; W58-V61 VanDerWaalsContact O-N 3.14Å; R59-V61 VanDerWaalsContact C-N 3.34Å; R59-V61 PolarHBondContact O-N 2.97Å; V61-M63 PolarHBondContact O-N 3.01Å; V61-M64 HydrophobicContact CG2-CE 4.16Å; V61-M64 PolarHBondContact O-N 2.89Å; V61-G65 PolarHBondContact O-N 2.92Å
62	Y	86.6	Confident	86.6	Confident	84 Å²	84	76 Å²	76	33%	0.329	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.3	-65.7	-50.5	0	0	0	112	F52 M53 W58 R59 G65 A66 L94	F52-Y62 WeakPolarHBondContact O-CE2 3.36Å; M53-Y62 HydrophobicContact SD-CE2 3.87Å; W58-Y62 HydrophobicContact CB-CE2 4.22Å; W58-Y62 WeakPolarHBondContact O-CD2 3.48Å; W58-Y62 PolarHBondContact O-N 3.25Å; R59-Y62 PolarHBondContact O-N 3.43Å; Y62-G65 PolarHBondContact O-N 3.47Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.4Å; Y62-L94 HydrophobicContact CD2-CD1 4.24Å; Y62-L94 HydrophobicContact CD2-CD2 3.99Å; Y62-L94 HydrophobicContact CG-CD2 4.39Å
63	M	89.3	Confident	87.2	Confident	28 Å²	28	76.5 Å²	76.5	14%	0.138	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-42.8	176.1	-71.7	-65.2	-68	0	0	112	R59 D60 V61 K67 L90 P91	R59-M63 WeakPolarHBondContact O-CB 3.4Å; R59-M63 WeakPolarHBondContact O-CG 3.3Å; R59-M63 PolarHBondContact O-N 3.45Å; D60-M63 PolarHBondContact O-N 3.21Å; V61-M63 PolarHBondContact O-N 3.01Å; M63-K67 WeakPolarHBondContact O-CB 3.24Å; M63-K67 WeakPolarHBondContact O-CG 3.16Å; M63-K67 PolarHBondContact O-N 3.27Å; M63-L90 HydrophobicContact SD-CB 3.79Å; M63-L90 HydrophobicContact SD-CD2 3.63Å; M63-L90 HydrophobicContact SD-CG 3.75Å; M63-P91 HydrophobicContact CE-CG 3.83Å; M63-P91 HydrophobicContact SD-CG 3.8Å
64	M	90.5	Very high	87.9	Confident	119 Å²	119	80.6 Å²	80.6	59%	0.586	41%	0.409	S	S	*	.	H	α-helix	trans	-63.2	-46.6	175	-77.5	-170.9	-72.5	0	0	111.4	D60 V61 A66 K67 K68	D60-M64 WeakPolarHBondContact O-CB 3.05Å; D60-M64 VanDerWaalsContact O-CG 3.28Å; D60-M64 WeakPolarHBondContact O-CG 3.33Å; D60-M64 PolarHBondContact O-N 3.38Å; V61-M64 HydrophobicContact CG2-CE 4.16Å; V61-M64 PolarHBondContact O-N 2.89Å; M64-A66 PolarHBondContact O-N 3.34Å; M64-K67 PolarHBondContact O-N 2.92Å; M64-K68 WeakPolarHBondContact O-CB 3.38Å; M64-K68 PolarHBondContact O-N 3.18Å
65	G	89.7	Confident	88.8	Confident	38 Å²	38	79.4 Å²	79.4	39%	0.392	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-47.6	177.2	0	0	0	0	0	112	V61 Y62 K68 L69	V61-G65 PolarHBondContact O-N 2.92Å; Y62-G65 PolarHBondContact O-N 3.47Å; G65-K68 WeakPolarHBondContact O-CB 3.18Å; G65-K68 PolarHBondContact O-N 2.94Å; G65-L69 WeakPolarHBondContact O-CG 3.47Å; G65-L69 PolarHBondContact O-N 2.92Å
66	A	90.1	Very high	89.6	Confident	19 Å²	19	82.1 Å²	82.1	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-67.1	-38.9	179.2	0	0	0	0	0	113	Y62 M64 K68 L69 C70 T86 L90	Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.4Å; M64-A66 PolarHBondContact O-N 3.34Å; A66-K68 VanDerWaalsContact C-N 3.31Å; A66-K68 PolarHBondContact O-N 2.85Å; A66-L69 WeakPolarHBondContact O-CB 3Å; A66-L69 PolarHBondContact O-N 3.37Å; A66-C70 PolarHBondContact O-N 3.48Å; A66-T86 HydrophobicContact CB-CG2 3.4Å; A66-L90 HydrophobicContact CB-CD2 3.31Å
67	K	90.8	Very high	90.3	Very high	96 Å²	96	82.8 Å²	82.8	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-38.2	171.7	-76.1	178.1	179.7	176.1	0	111.5	M63 M64 L69 C70 T71 T86	M63-K67 WeakPolarHBondContact O-CB 3.24Å; M63-K67 WeakPolarHBondContact O-CG 3.16Å; M63-K67 PolarHBondContact O-N 3.27Å; M64-K67 PolarHBondContact O-N 2.92Å; K67-L69 VanDerWaalsContact C-N 3.28Å; K67-L69 PolarHBondContact O-N 3.15Å; K67-C70 WeakPolarHBondContact O-CB 3.22Å; K67-C70 PolarHBondContact O-N 2.93Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K67-T71 PolarHBondContact O-N 3.18Å; K67-T86 HydrophobicContact CG-CG2 4.3Å
68	K	92.6	Very high	90.9	Very high	128 Å²	128	80.1 Å²	80.1	56%	0.557	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-39	175.6	-172.2	66	178	-178.7	0	111.1	M64 G65 A66 C70 T71 F72	M64-K68 WeakPolarHBondContact O-CB 3.38Å; M64-K68 PolarHBondContact O-N 3.18Å; G65-K68 WeakPolarHBondContact O-CB 3.18Å; G65-K68 PolarHBondContact O-N 2.94Å; A66-K68 VanDerWaalsContact C-N 3.31Å; A66-K68 PolarHBondContact O-N 2.85Å; K68-C70 VanDerWaalsContact C-N 3.28Å; K68-C70 PolarHBondContact O-N 2.68Å; K68-T71 WeakPolarHBondContact O-CB 3.14Å; K68-T71 PolarHBondContact O-N 3.47Å; K68-T71 PolarHBondContact O-OG1 3.43Å; K68-F72 HydrophobicContact CG-CE2 4.4Å
69	L	90	Very high	91.5	Very high	115 Å²	115	79.2 Å²	79.2	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-58.7	-39.9	174	-67.3	175.6	0	0	0	112.3	G65 A66 K67 T71 F72	G65-L69 WeakPolarHBondContact O-CG 3.47Å; G65-L69 PolarHBondContact O-N 2.92Å; A66-L69 WeakPolarHBondContact O-CB 3Å; A66-L69 PolarHBondContact O-N 3.37Å; K67-L69 VanDerWaalsContact C-N 3.28Å; K67-L69 PolarHBondContact O-N 3.15Å; L69-T71 PolarHBondContact O-N 2.96Å; L69-F72 HydrophobicContact CD2-CD2 4.45Å; L69-F72 HydrophobicContact CD2-CE2 4.48Å; L69-F72 PolarHBondContact O-N 3Å
70	C	92.7	Very high	92.1	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-26.9	175.8	-58.8	0	0	0	0	112.9	A66 K67 K68 F72 I73 C82 N83	A66-C70 PolarHBondContact O-N 3.48Å; K67-C70 WeakPolarHBondContact O-CB 3.22Å; K67-C70 PolarHBondContact O-N 2.93Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K68-C70 VanDerWaalsContact C-N 3.28Å; K68-C70 PolarHBondContact O-N 2.68Å; C70-F72 PolarHBondContact O-N 2.76Å; C70-I73 WeakPolarHBondContact O-CB 3.38Å; C70-I73 PolarHBondContact O-N 3.42Å; C70-C82 WeakPolarHBondContact CA-SG 3.47Å; C70-C82 HydrophobicContact CB-CB 3.75Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CB 3.28Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 2.91Å; C70-N83 VanDerWaalsContact CB-OD1 3.25Å; C70-N83 WeakPolarHBondContact CB-OD1 3.18Å
71	T	92.2	Very high	92.4	Very high	76 Å²	76	81.2 Å²	81.2	47%	0.466	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-21.1	179.2	70.8	0	0	0	0	113.9	K67 K68 L69 I73	K67-T71 PolarHBondContact O-N 3.18Å; K68-T71 WeakPolarHBondContact O-CB 3.14Å; K68-T71 PolarHBondContact O-N 3.47Å; K68-T71 PolarHBondContact O-OG1 3.43Å; L69-T71 PolarHBondContact O-N 2.96Å; T71-I73 PolarHBondContact O-N 3.36Å
72	F	94	Very high	92.8	Very high	156 Å²	156	80.4 Å²	80.4	68%	0.684	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.1	176.1	-62.4	-66.8	0	0	0	113.2	K68 L69 C70	K68-F72 HydrophobicContact CG-CE2 4.4Å; L69-F72 HydrophobicContact CD2-CD2 4.45Å; L69-F72 HydrophobicContact CD2-CE2 4.48Å; L69-F72 PolarHBondContact O-N 3Å; C70-F72 PolarHBondContact O-N 2.76Å
73	I	91.4	Very high	93.1	Very high	49 Å²	49	78.7 Å²	78.7	25%	0.251	42%	0.416	S	S	.	.			trans	-80.4	122.2	176.7	-62.1	164.7	0	0	0	109.4	C70 T71 I78 K79 C82	C70-I73 WeakPolarHBondContact O-CB 3.38Å; C70-I73 PolarHBondContact O-N 3.42Å; T71-I73 PolarHBondContact O-N 3.36Å; I73-I78 HydrophobicContact CD1-CG2 4.26Å; I73-I78 HydrophobicContact CG2-CB 3.79Å; I73-I78 HydrophobicContact CG2-CG2 3.8Å; I73-K79 HydrophobicContact CB-CB 4.38Å; I73-K79 HydrophobicContact CG2-CB 4.38Å; I73-K79 WeakPolarHBondContact O-CE 3.2Å; I73-C82 HydrophobicContact CD1-CB 3.73Å
74	S	94.1	Very high	93.4	Very high	121 Å²	121	85 Å²	85	85%	0.846	44%	0.443	S	S	*	.			trans	-71.8	-40.3	-179.4	55.1	0	0	0	0	113.4	E76	S74-E76 PolarHBondContact O-N 3.46Å
75	S	95.7	Very high	93.5	Very high	44 Å²	44	85.7 Å²	85.7	31%	0.308	44%	0.44	S	S	.	.			trans	-71.7	119.5	178.9	173.1	0	0	0	0	111.2	Q77 I78 K79	S75-Q77 VanDerWaalsContact C-N 3.29Å; S75-Q77 PolarHBondContact O-N 3.37Å; S75-I78 PolarHBondContact O-N 3Å; S75-K79 WeakPolarHBondContact O-CB 3.4Å; S75-K79 PolarHBondContact O-N 3.05Å
76	E	95	Very high	93.7	Very high	101 Å²	101	84.5 Å²	84.5	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-36.7	-179.2	-166	57.4	-151.8	0	0	112.5	S74 I78 K79 N80	S74-E76 PolarHBondContact O-N 3.46Å; E76-I78 PolarHBondContact O-N 3.48Å; E76-K79 PolarHBondContact O-N 3.21Å; E76-K79 IonicContact OE2-NZ 2.78Å; E76-K79 PolarHBondContact OE2-NZ 3.05Å; E76-N80 WeakPolarHBondContact O-CB 3.35Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.15Å; E76-N80 PolarHBondContact O-ND2 3.02Å
77	Q	95.9	Very high	93.8	Very high	150 Å²	150	86.3 Å²	86.3	70%	0.701	44%	0.436	S	S	*	.	H	α-helix	trans	-61.8	-46.5	176	-171.4	-178.7	35.7	0	0	111.3	S75 N80 I81	S75-Q77 VanDerWaalsContact C-N 3.29Å; S75-Q77 PolarHBondContact O-N 3.37Å; Q77-N80 PolarHBondContact O-N 3.14Å; Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.35Å; Q77-I81 PolarHBondContact O-N 3.36Å; Q77-I81 VanDerWaalsContact O-N 3.12Å
78	I	95.4	Very high	93.9	Very high	93 Å²	93	86.9 Å²	86.9	48%	0.477	44%	0.439	S	S	.	.	H	α-helix	trans	-70.7	-39	-179.4	-57.9	177.1	0	0	0	110.4	I73 S75 E76 N80 I81 C82	I73-I78 HydrophobicContact CD1-CG2 4.26Å; I73-I78 HydrophobicContact CG2-CB 3.79Å; I73-I78 HydrophobicContact CG2-CG2 3.8Å; S75-I78 PolarHBondContact O-N 3Å; E76-I78 PolarHBondContact O-N 3.48Å; I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 PolarHBondContact O-N 3.15Å; I78-I81 PolarHBondContact O-N 3Å; I78-C82 WeakPolarHBondContact O-CB 3.23Å; I78-C82 PolarHBondContact O-N 2.81Å
79	K	96.2	Very high	93.9	Very high	47 Å²	47	85.2 Å²	85.2	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-56.6	-44.5	173.6	-177.6	-172.9	-59	158.4	0	111.7	I73 S75 E76 C82 N83	I73-K79 HydrophobicContact CB-CB 4.38Å; I73-K79 HydrophobicContact CG2-CB 4.38Å; I73-K79 WeakPolarHBondContact O-CE 3.2Å; S75-K79 WeakPolarHBondContact O-CB 3.4Å; S75-K79 PolarHBondContact O-N 3.05Å; E76-K79 PolarHBondContact O-N 3.21Å; E76-K79 IonicContact OE2-NZ 2.78Å; E76-K79 PolarHBondContact OE2-NZ 3.05Å; K79-C82 WeakPolarHBondContact O-CB 3.46Å; K79-C82 PolarHBondContact O-N 2.82Å; K79-N83 WeakPolarHBondContact O-CB 3.43Å; K79-N83 PolarHBondContact O-N 3.28Å; K79-N83 PolarHBondContact O-ND2 2.78Å
80	N	96.1	Very high	93.9	Very high	85 Å²	85	81.2 Å²	81.2	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177	-75.1	-31.2	0	0	0	112.6	E76 Q77 I78 N83 K84	E76-N80 WeakPolarHBondContact O-CB 3.35Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.15Å; E76-N80 PolarHBondContact O-ND2 3.02Å; Q77-N80 PolarHBondContact O-N 3.14Å; I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 PolarHBondContact O-N 3.15Å; N80-N83 PolarHBondContact O-N 3.05Å; N80-K84 WeakPolarHBondContact O-CB 3.43Å; N80-K84 PolarHBondContact O-N 3.23Å
81	I	94.8	Very high	93.7	Very high	110 Å²	110	83.3 Å²	83.3	56%	0.564	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-46.6	172.9	-67	166	0	0	0	110.4	Q77 I78 K84 Y85	Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.35Å; Q77-I81 PolarHBondContact O-N 3.36Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; I78-I81 PolarHBondContact O-N 3Å; I81-K84 PolarHBondContact O-N 3.1Å; I81-Y85 WeakPolarHBondContact O-CB 3.23Å; I81-Y85 PolarHBondContact O-N 3.35Å
82	C	94.7	Very high	93.6	Very high	30 Å²	30	85.4 Å²	85.4	20%	0.203	43%	0.425	C	S	.	.	H	α-helix	trans	-58.2	-50.7	177.1	-176.8	0	0	0	0	111.5	C70 I73 I78 K79 K84 Y85 T86	C70-C82 WeakPolarHBondContact CA-SG 3.47Å; C70-C82 HydrophobicContact CB-CB 3.75Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CB 3.28Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 2.91Å; I73-C82 HydrophobicContact CD1-CB 3.73Å; I78-C82 WeakPolarHBondContact O-CB 3.23Å; I78-C82 PolarHBondContact O-N 2.81Å; K79-C82 WeakPolarHBondContact O-CB 3.46Å; K79-C82 PolarHBondContact O-N 2.82Å; C82-K84 VanDerWaalsContact C-N 3.32Å; C82-K84 PolarHBondContact O-N 3.42Å; C82-Y85 PolarHBondContact O-N 3.3Å; C82-Y85 VanDerWaalsContact O-N 3.16Å; C82-T86 WeakPolarHBondContact O-CB 3.28Å; C82-T86 PolarHBondContact O-N 3.29Å; C82-T86 PolarHBondContact O-OG1 2.99Å
83	N	94.7	Very high	93.2	Very high	48 Å²	48	81.4 Å²	81.4	26%	0.257	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-42.4	179.1	-77.3	-31.4	0	0	0	112.2	C70 K79 N80 S87	C70-N83 VanDerWaalsContact CB-OD1 3.25Å; C70-N83 WeakPolarHBondContact CB-OD1 3.18Å; K79-N83 WeakPolarHBondContact O-CB 3.43Å; K79-N83 PolarHBondContact O-N 3.28Å; K79-N83 PolarHBondContact O-ND2 2.78Å; N80-N83 PolarHBondContact O-N 3.05Å; N83-S87 VanDerWaalsContact O-CB 3.25Å; N83-S87 WeakPolarHBondContact O-CB 3.42Å; N83-S87 PolarHBondContact O-N 3.41Å; N83-S87 PolarHBondContact O-OG 3.25Å
84	K	94.9	Very high	93	Very high	160 Å²	160	79.5 Å²	79.5	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-66.4	-41.1	176.9	-174.2	175.1	-178.3	176.8	0	111.5	N80 I81 C82 K88	N80-K84 WeakPolarHBondContact O-CB 3.43Å; N80-K84 PolarHBondContact O-N 3.23Å; I81-K84 PolarHBondContact O-N 3.1Å; C82-K84 VanDerWaalsContact C-N 3.32Å; C82-K84 PolarHBondContact O-N 3.42Å; K84-K88 WeakPolarHBondContact O-CB 3.45Å; K84-K88 PolarHBondContact O-N 3.11Å; K84-K88 VanDerWaalsContact O-N 3.07Å
85	Y	93	Very high	92.6	Very high	133 Å²	133	77.3 Å²	77.3	52%	0.522	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-55.5	176.9	-178.6	-89.4	0	0	0	110.7	I81 C82 S87 K88 Y89	I81-Y85 WeakPolarHBondContact O-CB 3.23Å; I81-Y85 PolarHBondContact O-N 3.35Å; C82-Y85 PolarHBondContact O-N 3.3Å; C82-Y85 VanDerWaalsContact O-N 3.16Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.42Å; Y85-K88 PolarHBondContact O-N 3.38Å; Y85-K88 VanDerWaalsContact O-N 3.13Å; Y85-Y89 AromaticContact CD2-CD2 3.42Å; Y85-Y89 HydrophobicContact CD2-CD2 3.42Å; Y85-Y89 VanDerWaalsContact CD2-CD2 3.42Å; Y85-Y89 AromaticContact CD2-CE2 3.89Å; Y85-Y89 HydrophobicContact CD2-CE2 3.89Å; Y85-Y89 HydrophobicContact CD2-CG 4.28Å; Y85-Y89 AromaticContact CE2-CD2 3.63Å; Y85-Y89 HydrophobicContact CE2-CD2 3.63Å; Y85-Y89 HydrophobicContact CE2-CE2 4.18Å; Y85-Y89 HydrophobicContact CE2-CG 4.07Å; Y85-Y89 AromaticContact CG-CD2 3.98Å; Y85-Y89 HydrophobicContact CG-CD2 3.98Å; Y85-Y89 WeakPolarHBondContact O-CB 3.48Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.44Å; Y85-Y89 PolarHBondContact O-N 2.9Å
86	T	92.5	Very high	92	Very high	13 Å²	13	81.1 Å²	81.1	8%	0.08	39%	0.392	C	S	.	.	H	α-helix	trans	-54.9	-48.4	177.7	-62	0	0	0	0	110.8	A66 K67 C82 K88 L90 P91	A66-T86 HydrophobicContact CB-CG2 3.4Å; K67-T86 HydrophobicContact CG-CG2 4.3Å; C82-T86 WeakPolarHBondContact O-CB 3.28Å; C82-T86 PolarHBondContact O-N 3.29Å; C82-T86 PolarHBondContact O-OG1 2.99Å; T86-K88 VanDerWaalsContact C-N 3.27Å; T86-K88 PolarHBondContact O-N 3.29Å; T86-L90 HydrophobicContact CG2-CB 4.14Å; T86-L90 HydrophobicContact CG2-CD2 3.8Å; T86-L90 WeakPolarHBondContact O-CB 3.39Å; T86-L90 PolarHBondContact O-N 2.84Å; T86-P91 WeakPolarHBondContact O-CD 3.35Å
87	S	92.6	Very high	91.4	Very high	57 Å²	57	79 Å²	79	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-28.7	-177.7	-55.2	0	0	0	0	113.7	N83 Y85	N83-S87 VanDerWaalsContact O-CB 3.25Å; N83-S87 WeakPolarHBondContact O-CB 3.42Å; N83-S87 PolarHBondContact O-N 3.41Å; N83-S87 PolarHBondContact O-OG 3.25Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.42Å
88	K	93.3	Very high	90.8	Very high	108 Å²	108	71.8 Å²	71.8	47%	0.47	35%	0.352	S	S	.	.	H	α-helix	trans	-93	-37.7	-176.3	-176.2	176.7	177.7	-168.5	0	113.5	K84 Y85 T86	K84-K88 WeakPolarHBondContact O-CB 3.45Å; K84-K88 PolarHBondContact O-N 3.11Å; K84-K88 VanDerWaalsContact O-N 3.07Å; Y85-K88 PolarHBondContact O-N 3.38Å; Y85-K88 VanDerWaalsContact O-N 3.13Å; T86-K88 VanDerWaalsContact C-N 3.27Å; T86-K88 PolarHBondContact O-N 3.29Å
89	Y	92.8	Very high	90	Very high	93 Å²	93	71.8 Å²	71.8	37%	0.365	36%	0.36	S	S	.	.	H	α-helix	trans	-108.9	-32.2	-168.3	-64.8	-76.3	0	0	0	112.9	Y85 K92 I93	Y85-Y89 AromaticContact CD2-CD2 3.42Å; Y85-Y89 HydrophobicContact CD2-CD2 3.42Å; Y85-Y89 VanDerWaalsContact CD2-CD2 3.42Å; Y85-Y89 AromaticContact CD2-CE2 3.89Å; Y85-Y89 HydrophobicContact CD2-CE2 3.89Å; Y85-Y89 HydrophobicContact CD2-CG 4.28Å; Y85-Y89 AromaticContact CE2-CD2 3.63Å; Y85-Y89 HydrophobicContact CE2-CD2 3.63Å; Y85-Y89 HydrophobicContact CE2-CE2 4.18Å; Y85-Y89 HydrophobicContact CE2-CG 4.07Å; Y85-Y89 AromaticContact CG-CD2 3.98Å; Y85-Y89 HydrophobicContact CG-CD2 3.98Å; Y85-Y89 WeakPolarHBondContact O-CB 3.48Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.44Å; Y85-Y89 PolarHBondContact O-N 2.9Å; Y89-K92 WeakPolarHBondContact O-CB 3.16Å; Y89-K92 PolarHBondContact O-N 3.49Å; Y89-K92 VanDerWaalsContact O-N 3.15Å; Y89-I93 VanDerWaalsContact O-CG1 3.32Å; Y89-I93 WeakPolarHBondContact O-CG1 3.45Å; Y89-I93 PolarHBondContact O-N 3.4Å
90	L	89.3	Confident	89.1	Confident	32 Å²	32	75 Å²	75	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-43.2	-179.3	-175.6	59.4	0	0	0	112.9	M63 A66 T86 K92 I93 L94	M63-L90 HydrophobicContact SD-CB 3.79Å; M63-L90 HydrophobicContact SD-CD2 3.63Å; M63-L90 HydrophobicContact SD-CG 3.75Å; A66-L90 HydrophobicContact CB-CD2 3.31Å; T86-L90 HydrophobicContact CG2-CB 4.14Å; T86-L90 HydrophobicContact CG2-CD2 3.8Å; T86-L90 WeakPolarHBondContact O-CB 3.39Å; T86-L90 PolarHBondContact O-N 2.84Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.44Å; L90-I93 PolarHBondContact O-N 3.01Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 HydrophobicContact CG-CG 4.39Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.99Å
91	P	88.8	Confident	88.4	Confident	43 Å²	43	71.9 Å²	71.9	28%	0.279	36%	0.362	S	S	.	.	H	α-helix	trans	-57.5	-42.4	175.5	-25.2	34.5	0	0	0	112.4	M63 T86 I93 L94 D95	M63-P91 HydrophobicContact CE-CG 3.83Å; M63-P91 HydrophobicContact SD-CG 3.8Å; T86-P91 WeakPolarHBondContact O-CD 3.35Å; P91-I93 VanDerWaalsContact C-N 3.34Å; P91-I93 PolarHBondContact O-N 3.48Å; P91-L94 PolarHBondContact O-N 2.62Å; P91-D95 VanDerWaalsContact O-CG 3.28Å; P91-D95 PolarHBondContact O-N 2.85Å
92	K	89.9	Confident	87.6	Confident	121 Å²	121	67.6 Å²	67.6	53%	0.526	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-38.4	179.1	-59.2	-175.3	176.8	-161.9	0	112.4	Y89 L90 L94 D95 E96	Y89-K92 WeakPolarHBondContact O-CB 3.16Å; Y89-K92 PolarHBondContact O-N 3.49Å; Y89-K92 VanDerWaalsContact O-N 3.15Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-D95 PolarHBondContact O-N 3.37Å; K92-E96 WeakPolarHBondContact O-CB 3.27Å; K92-E96 PolarHBondContact O-N 3.16Å
93	I	86.9	Confident	86.7	Confident	71 Å²	71	68 Å²	68	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-42	175.9	-68	164.1	0	0	0	109.8	Y89 L90 P91 E96 V97	Y89-I93 VanDerWaalsContact O-CG1 3.32Å; Y89-I93 WeakPolarHBondContact O-CG1 3.45Å; Y89-I93 PolarHBondContact O-N 3.4Å; L90-I93 PolarHBondContact O-N 3.01Å; P91-I93 VanDerWaalsContact C-N 3.34Å; P91-I93 PolarHBondContact O-N 3.48Å; I93-E96 PolarHBondContact O-N 2.96Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CB 3.31Å; I93-V97 VanDerWaalsContact O-CG2 3.22Å; I93-V97 WeakPolarHBondContact O-CG2 3.48Å; I93-V97 PolarHBondContact O-N 3.37Å
94	L	85.9	Confident	86.1	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.052	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-40.5	176.3	-66.7	173.9	0	0	0	111.5	M53 R59 Y62 L90 P91 K92 G98	M53-L94 HydrophobicContact CE-CD2 4.12Å; M53-L94 HydrophobicContact SD-CD2 3.9Å; R59-L94 HydrophobicContact CG-CD1 4.4Å; Y62-L94 HydrophobicContact CD2-CD1 4.24Å; Y62-L94 HydrophobicContact CD2-CD2 3.99Å; Y62-L94 HydrophobicContact CG-CD2 4.39Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 HydrophobicContact CG-CG 4.39Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.99Å; P91-L94 PolarHBondContact O-N 2.62Å; K92-L94 VanDerWaalsContact C-N 3.35Å; L94-G98 PolarHBondContact O-N 3.49Å
95	D	85.6	Confident	85.7	Confident	74 Å²	74	61.7 Å²	61.7	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-48.1	173.5	-69.3	-35.2	0	0	0	111.7	R59 P91 K92 G98 S99	R59-D95 IonicContact CZ-OD1 2.66Å; R59-D95 IonicContact NH1-OD1 3.4Å; R59-D95 PolarHBondContact NH1-OD1 3.41Å; R59-D95 IonicContact NH2-OD1 3.18Å; R59-D95 PolarHBondContact NH2-OD1 2.88Å; P91-D95 VanDerWaalsContact O-CG 3.28Å; P91-D95 PolarHBondContact O-N 2.85Å; K92-D95 PolarHBondContact O-N 3.37Å; D95-G98 PolarHBondContact O-N 2.03Å; D95-S99 WeakPolarHBondContact O-CB 3.31Å; D95-S99 PolarHBondContact O-N 3.42Å; D95-S99 PolarHBondContact O-OG 3.12Å
96	E	84.6	Confident	85.3	Confident	124 Å²	124	55.4 Å²	55.4	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-46.1	-179	-170.5	168	-173.8	0	0	110.9	K92 I93 S99 L100	K92-E96 WeakPolarHBondContact O-CB 3.27Å; K92-E96 PolarHBondContact O-N 3.16Å; I93-E96 PolarHBondContact O-N 2.96Å; E96-S99 PolarHBondContact O-N 2.89Å; E96-S99 PolarHBondContact O-OG 3.33Å; E96-L100 HydrophobicContact CG-CD1 4.3Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.27Å; E96-L100 PolarHBondContact O-N 3.48Å
97	V	82.4	Confident	85	Confident	56 Å²	56	56.4 Å²	56.4	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-43	177.2	176.7	0	0	0	0	111.3	M53 I93 S99 L100 I101	M53-V97 HydrophobicContact CE-CB 4.02Å; M53-V97 HydrophobicContact CE-CG1 3.38Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CB 3.31Å; I93-V97 VanDerWaalsContact O-CG2 3.22Å; I93-V97 WeakPolarHBondContact O-CG2 3.48Å; I93-V97 PolarHBondContact O-N 3.37Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 2.87Å; V97-I101 HydrophobicContact CG1-CD1 4.16Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 3.38Å
98	G	81.5	Confident	84.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-47.5	174.8	0	0	0	0	0	111.6	L94 D95 L100 I101	L94-G98 PolarHBondContact O-N 3.49Å; D95-G98 PolarHBondContact O-N 2.03Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.28Å; G98-I101 PolarHBondContact O-N 3.09Å; G98-I101 VanDerWaalsContact O-N 3.15Å
99	S	78.8	Confident	84.2	Confident	92 Å²	92	62.5 Å²	62.5	64%	0.643	34%	0.336	S	S	*	.	H	α-helix	trans	-65.8	-25.2	179.5	74.6	0	0	0	0	114.7	D95 E96 V97	D95-S99 WeakPolarHBondContact O-CB 3.31Å; D95-S99 PolarHBondContact O-N 3.42Å; D95-S99 PolarHBondContact O-OG 3.12Å; E96-S99 PolarHBondContact O-N 2.89Å; E96-S99 PolarHBondContact O-OG 3.33Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.46Å
100	L	78.4	Confident	83.9	Confident	116 Å²	116	64.6 Å²	64.6	61%	0.607	35%	0.354	S	S	*	.	H	α-helix	trans	-81.4	-22.8	177.7	-71.3	169.6	0	0	0	112.2	E96 V97 G98 G102 I105	E96-L100 HydrophobicContact CG-CD1 4.3Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.27Å; E96-L100 PolarHBondContact O-N 3.48Å; V97-L100 PolarHBondContact O-N 2.87Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.28Å; L100-G102 PolarHBondContact O-N 2.95Å; L100-I105 WeakPolarHBondContact O-CD1 3.46Å
101	I	80.1	Confident	83.7	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.097	36%	0.357	C	S	.	.			trans	-73.9	92.8	178.8	-64	162.3	0	0	0	108.3	L46 A49 H50 M53 V97 G98 M119	L46-I101 HydrophobicContact CB-CG2 4.07Å; L46-I101 HydrophobicContact CD2-CG2 4.22Å; L46-I101 WeakPolarHBondContact O-CG2 3.27Å; A49-I101 HydrophobicContact CB-CD1 4.02Å; H50-I101 HydrophobicContact CB-CB 4.45Å; H50-I101 HydrophobicContact CB-CG2 3.83Å; H50-I101 PolarHBondContact CD2-O 2.98Å; M53-I101 HydrophobicContact CB-CD1 4.46Å; M53-I101 HydrophobicContact CG-CD1 3.84Å; V97-I101 HydrophobicContact CG1-CD1 4.16Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 3.38Å; G98-I101 PolarHBondContact O-N 3.09Å; G98-I101 VanDerWaalsContact O-N 3.15Å; I101-M119 HydrophobicContact CG2-SD 4.29Å; I101-M119 WeakPolarHBondContact O-CE 3.42Å
102	G	79.5	Confident	83.5	Confident	19 Å²	19	62.9 Å²	62.9	20%	0.196	34%	0.344	C	S	.	.			trans	-121.5	162.1	176.9	0	0	0	0	0	112.2	L46 L100 G104 I105	L46-G102 WeakPolarHBondContact CD1-O 3.01Å; L100-G102 PolarHBondContact O-N 2.95Å; G102-G104 PolarHBondContact O-N 3.48Å; G102-G104 VanDerWaalsContact O-N 3.15Å; G102-I105 WeakPolarHBondContact O-CB 3.02Å; G102-I105 PolarHBondContact O-N 3.26Å; G102-I105 VanDerWaalsContact O-N 3.14Å
103	P	76.3	Confident	83	Confident	38 Å²	38	66.4 Å²	66.4	25%	0.247	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	175.2	26.7	-34.1	0	0	0	112.3	L43 I105 C106 V117 M119	L43-P103 HydrophobicContact CD2-CB 3.94Å; P103-I105 PolarHBondContact O-N 3.11Å; P103-I105 VanDerWaalsContact O-N 3.15Å; P103-C106 PolarHBondContact O-N 3.32Å; P103-V117 HydrophobicContact CB-CG2 4.18Å; P103-V117 WeakPolarHBondContact CB-O 3.46Å; P103-V117 WeakPolarHBondContact CG-O 3.46Å; P103-M119 HydrophobicContact CB-CG 4.24Å
104	G	81.8	Confident	82.4	Confident	35 Å²	35	65.4 Å²	65.4	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-56.5	-27.2	176.7	0	0	0	0	0	113.9	G102 C106 T107 D108	G102-G104 PolarHBondContact O-N 3.48Å; G102-G104 VanDerWaalsContact O-N 3.15Å; G104-C106 PolarHBondContact O-N 3.25Å; G104-T107 CarbonylContact O-C 3.55Å; G104-T107 WeakPolarHBondContact O-CA 3.41Å; G104-T107 WeakPolarHBondContact O-CB 3.48Å; G104-T107 PolarHBondContact O-N 3.04Å; G104-D108 VanDerWaalsContact O-CG 3.31Å; G104-D108 PolarHBondContact O-N 3.13Å
105	I	86.4	Confident	81.4	Confident	42 Å²	42	70.6 Å²	70.6	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-57.8	-40.1	174.7	-68.9	176.9	0	0	0	111	L46 L100 G102 P103 T107 D108 F109	L46-I105 HydrophobicContact CD1-CB 3.66Å; L46-I105 HydrophobicContact CD1-CG2 3.89Å; L46-I105 HydrophobicContact CD2-CD1 4.26Å; L46-I105 HydrophobicContact CD2-CG2 4.13Å; L100-I105 WeakPolarHBondContact O-CD1 3.46Å; G102-I105 WeakPolarHBondContact O-CB 3.02Å; G102-I105 PolarHBondContact O-N 3.26Å; G102-I105 VanDerWaalsContact O-N 3.14Å; P103-I105 PolarHBondContact O-N 3.11Å; P103-I105 VanDerWaalsContact O-N 3.15Å; I105-T107 VanDerWaalsContact C-N 3.27Å; I105-T107 PolarHBondContact O-N 2.91Å; I105-D108 PolarHBondContact O-N 2.91Å; I105-F109 HydrophobicContact CG2-CD2 3.62Å; I105-F109 HydrophobicContact CG2-CE2 3.55Å; I105-F109 WeakPolarHBondContact O-CD2 3.46Å; I105-F109 PolarHBondContact O-N 3.47Å
106	C	84.7	Confident	80.6	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-70.7	-25.9	178.8	-62.5	0	0	0	0	112.7	C42 L43 L46 P103 G104 V111 C112	C42-C106 HydrophobicContact CB-CB 3.9Å; C42-C106 WeakPolarHBondContact CB-SG 3.34Å; C42-C106 WeakPolarHBondContact SG-CA 3.34Å; C42-C106 WeakPolarHBondContact SG-CB 3.43Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.03Å; L43-C106 HydrophobicContact CD2-CB 4.42Å; L43-C106 PolarHBondContact N-SG 2.93Å; L46-C106 WeakPolarHBondContact CD1-SG 3.32Å; P103-C106 PolarHBondContact O-N 3.32Å; G104-C106 PolarHBondContact O-N 3.25Å; C106-V111 WeakPolarHBondContact O-CB 3.31Å; C106-V111 PolarHBondContact O-N 3.1Å; C106-C112 HydrophobicContact CB-CB 4.03Å; C106-C112 WeakPolarHBondContact CB-SG 3.43Å; C106-C112 PolarHBondContact O-N 3Å
107	T	85.3	Confident	79.8	Confident	34 Å²	34	68 Å²	68	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-75.5	-40.1	171.1	-52	0	0	0	0	111.1	G104 I105 F109 D110 C112 S114 T115	G104-T107 CarbonylContact O-C 3.55Å; G104-T107 WeakPolarHBondContact O-CA 3.41Å; G104-T107 WeakPolarHBondContact O-CB 3.48Å; G104-T107 PolarHBondContact O-N 3.04Å; I105-T107 VanDerWaalsContact C-N 3.27Å; I105-T107 PolarHBondContact O-N 2.91Å; T107-F109 PolarHBondContact O-N 3.46Å; T107-D110 WeakPolarHBondContact O-CA 3.38Å; T107-D110 PolarHBondContact O-N 3.26Å; T107-C112 WeakPolarHBondContact CA-O 3.48Å; T107-S114 PolarHBondContact OG1-O 3.44Å; T107-T115 HydrophobicContact CG2-CG2 4.05Å
108	D	86.1	Confident	79.5	Confident	139 Å²	139	71.8 Å²	71.8	74%	0.743	39%	0.389	S	S	*	.	H	α-helix	trans	-63	-32.2	177.3	-68.7	-20.4	0	0	0	112.2	G104 I105 D110	G104-D108 VanDerWaalsContact O-CG 3.31Å; G104-D108 PolarHBondContact O-N 3.13Å; I105-D108 PolarHBondContact O-N 2.91Å; D108-D110 PolarHBondContact O-N 2.92Å
109	F	84.2	Confident	79.3	Confident	154 Å²	154	74.4 Å²	74.4	68%	0.675	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	6.2	172	-74.6	-64.3	0	0	0	114.1	I105 T107 V111	I105-F109 HydrophobicContact CG2-CD2 3.62Å; I105-F109 HydrophobicContact CG2-CE2 3.55Å; I105-F109 WeakPolarHBondContact O-CD2 3.46Å; I105-F109 PolarHBondContact O-N 3.47Å; T107-F109 PolarHBondContact O-N 3.46Å; F109-V111 HydrophobicContact CB-CG2 3.75Å; F109-V111 WeakPolarHBondContact O-CG2 3.5Å; F109-V111 PolarHBondContact O-N 2.95Å; F109-V111 VanDerWaalsContact O-N 3.12Å
110	D	84.7	Confident	79.1	Confident	138 Å²	138	70.9 Å²	70.9	74%	0.738	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	25.7	-177.5	-160.1	25.3	0	0	0	113.6	T107 D108	T107-D110 WeakPolarHBondContact O-CA 3.38Å; T107-D110 PolarHBondContact O-N 3.26Å; D108-D110 PolarHBondContact O-N 2.92Å
111	V	86.1	Confident	78.7	Confident	38 Å²	38	68.4 Å²	68.4	23%	0.23	37%	0.365	C	S	.	.	S	Bend	trans	-86.5	-39.8	177.8	-170.2	0	0	0	0	109.8	T36 E38 C39 C42 C106 F109	T36-V111 PolarHBondContact OG1-O 2.85Å; E38-V111 HydrophobicContact CB-CG1 3.61Å; E38-V111 WeakPolarHBondContact O-CG1 3.06Å; C39-V111 WeakPolarHBondContact CB-O 3.4Å; C42-V111 HydrophobicContact CB-CG1 4.13Å; C106-V111 WeakPolarHBondContact O-CB 3.31Å; C106-V111 PolarHBondContact O-N 3.1Å; F109-V111 HydrophobicContact CB-CG2 3.75Å; F109-V111 WeakPolarHBondContact O-CG2 3.5Å; F109-V111 PolarHBondContact O-N 2.95Å; F109-V111 VanDerWaalsContact O-N 3.12Å
112	C	83.8	Confident	78.2	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.007	37%	0.366	C	S	.	.			trans	-105.1	123.5	175	-63.7	0	0	0	0	110.5	C39 C106 T107 V117	C39-C112 WeakPolarHBondContact CA-SG 3.29Å; C39-C112 HydrophobicContact CB-CB 4Å; C39-C112 WeakPolarHBondContact CB-SG 3.04Å; C39-C112 VanDerWaalsContact SG-CA 3.58Å; C39-C112 WeakPolarHBondContact SG-CB 3.35Å; C39-C112 CovalentContact SG-SG 2.01Å; C39-C112 PolarHBondContact SG-SG 3.31Å; C106-C112 HydrophobicContact CB-CB 4.03Å; C106-C112 WeakPolarHBondContact CB-SG 3.43Å; C106-C112 PolarHBondContact O-N 3Å; T107-C112 WeakPolarHBondContact CA-O 3.48Å; C112-V117 HydrophobicContact CB-CG2 4.17Å
113	K	80.1	Confident	77.5	Confident	194 Å²	194	73 Å²	73	84%	0.843	38%	0.382	S	S	*	.	S	Bend	trans	-78.7	-24	-178.6	-64.8	-172.4	178.3	-176.1	0	114.7
114	S	73.4	Confident	76.6	Confident	50 Å²	50	75.9 Å²	75.9	35%	0.35	39%	0.392	S	S	.	.			trans	-105.9	142.5	-179.2	-178.2	0	0	0	0	110.1	T107 E116 V117	T107-S114 PolarHBondContact OG1-O 3.44Å; S114-E116 VanDerWaalsContact C-N 3.29Å; S114-E116 PolarHBondContact OG-N 2.01Å; S114-E116 VanDerWaalsContact OG-N 3.09Å; S114-V117 WeakPolarHBondContact O-CG2 3.29Å
115	T	65.6	Low	75.2	Confident	119 Å²	119	78.5 Å²	78.5	73%	0.73	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.7	170.1	51.8	0	0	0	0	112.8	T107 V117	T107-T115 HydrophobicContact CG2-CG2 4.05Å; T115-V117 PolarHBondContact O-N 3.02Å
116	E	68.7	Low	73.2	Confident	126 Å²	126	83 Å²	83	59%	0.589	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	2.8	179.6	-63.6	176.2	157.8	0	0	112.5	S114	S114-E116 VanDerWaalsContact C-N 3.29Å; S114-E116 PolarHBondContact OG-N 2.01Å; S114-E116 VanDerWaalsContact OG-N 3.09Å
117	V	68.8	Low	71	Confident	17 Å²	17	92.4 Å²	92.4	10%	0.103	46%	0.463	C	S	.	.			trans	-68.8	137	174.7	-63.7	0	0	0	0	111.2	V35 L43 P103 C112 S114 T115	V35-V117 HydrophobicContact CG2-CG1 4.35Å; L43-V117 HydrophobicContact CD1-CB 3.86Å; L43-V117 HydrophobicContact CD1-CG1 4.27Å; L43-V117 HydrophobicContact CD1-CG2 4.33Å; L43-V117 HydrophobicContact CD2-CB 4.3Å; L43-V117 HydrophobicContact CD2-CG2 4.04Å; P103-V117 HydrophobicContact CB-CG2 4.18Å; P103-V117 WeakPolarHBondContact CB-O 3.46Å; P103-V117 WeakPolarHBondContact CG-O 3.46Å; C112-V117 HydrophobicContact CB-CG2 4.17Å; S114-V117 WeakPolarHBondContact O-CG2 3.29Å; T115-V117 PolarHBondContact O-N 3.02Å
118	K	75.6	Confident	68.5	Low	136 Å²	136	101.2 Å²	101.2	59%	0.591	51%	0.507	S	S	*	.			trans	-110.6	153.2	177.9	-65.3	179.5	-176	172.7	0	110.5
119	M	76.3	Confident	67.7	Low	55 Å²	55	99.4 Å²	99.4	27%	0.271	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-67.2	146.8	168.8	-71.5	-168.8	-79.6	0	0	109.8	H50 I101 P103	H50-M119 HydrophobicContact CB-SD 4.22Å; I101-M119 HydrophobicContact CG2-SD 4.29Å; I101-M119 WeakPolarHBondContact O-CE 3.42Å; P103-M119 HydrophobicContact CB-CG 4.24Å
120	F	74.4	Confident	66.8	Low	19 Å²	19	96.5 Å²	96.5	8%	0.083	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-74.9	139.4	174.1	-57.4	-70.4	0	0	0	109.5	T24 E26 M32 L43 S44 S47 I122	T24-F120 HydrophobicContact CG2-CB 3.87Å; T24-F120 HydrophobicContact CG2-CD2 4.25Å; T24-F120 HydrophobicContact CG2-CG 4.04Å; E26-F120 HydrophobicContact CG-CD1 4.17Å; E26-F120 HydrophobicContact CG-CE1 3.79Å; M32-F120 HydrophobicContact SD-CE1 3.89Å; L43-F120 HydrophobicContact CB-CD2 4.05Å; L43-F120 HydrophobicContact CB-CE2 3.48Å; L43-F120 VanDerWaalsContact CB-CE2 3.48Å; L43-F120 HydrophobicContact CB-CZ 4.24Å; S44-F120 VanDerWaalsContact OG-CE2 3.31Å; S44-F120 WeakPolarHBondContact OG-CE2 3.45Å; S47-F120 WeakPolarHBondContact CB-O 3.49Å; S47-F120 PolarHBondContact OG-N 3.1Å; S47-F120 PolarHBondContact OG-O 3.21Å; F120-I122 PolarHBondContact O-N 3.28Å
121	T	71.5	Confident	65.8	Low	64 Å²	64	94.2 Å²	94.2	39%	0.393	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.2	170.1	-60.8	0	0	0	0	108.7	V25 Q123	V25-T121 PolarHBondContact N-O 3.47Å; T121-Q123 HydrophobicContact CG2-CG 4.33Å
122	I	68.8	Low	64.6	Low	21 Å²	21	97.5 Å²	97.5	11%	0.108	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.8	174.5	-67.5	-174.4	0	0	0	108.4	V22 S47 L48 Y51 F120	V22-I122 HydrophobicContact CB-CG2 4.18Å; V22-I122 HydrophobicContact CG1-CB 4.05Å; V22-I122 HydrophobicContact CG1-CD1 3.91Å; V22-I122 HydrophobicContact CG1-CG1 3.65Å; V22-I122 HydrophobicContact CG1-CG2 3.59Å; V22-I122 HydrophobicContact CG2-CG2 3.49Å; V22-I122 VanDerWaalsContact CG2-CG2 3.49Å; S47-I122 WeakPolarHBondContact O-CD1 3.33Å; L48-I122 HydrophobicContact CB-CD1 3.99Å; L48-I122 HydrophobicContact CD1-CD1 3.97Å; Y51-I122 HydrophobicContact CD1-CG2 4.23Å; Y51-I122 HydrophobicContact CD2-CB 4.04Å; Y51-I122 HydrophobicContact CD2-CG2 3.84Å; Y51-I122 HydrophobicContact CE2-CG2 4.16Å; Y51-I122 HydrophobicContact CG-CB 4.19Å; Y51-I122 HydrophobicContact CG-CD1 4.43Å; Y51-I122 HydrophobicContact CG-CG2 3.88Å; F120-I122 PolarHBondContact O-N 3.28Å
123	Q	63.9	Low	63.4	Low	114 Å²	114	103.5 Å²	103.5	53%	0.533	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.9	170.6	-60.9	-149.5	-11.3	0	0	110.3	T121 N125	T121-Q123 HydrophobicContact CG2-CG 4.33Å; Q123-N125 PolarHBondContact O-N 3.02Å
124	E	58.9	Low	62.3	Low	97 Å²	97	97.5 Å²	97.5	45%	0.453	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	107.3	167	-96	-179.9	-175.1	0	0	109.3	Y51 N126	Y51-E124 VanDerWaalsContact OH-CG 3.23Å; Y51-E124 WeakPolarHBondContact OH-CG 3.21Å; Y51-E124 PolarHBondContact OH-OE1 3.22Å; E124-N126 PolarHBondContact O-N 3.09Å
125	N	52.2	Low	61.5	Low	90 Å²	90	100.9 Å²	100.9	48%	0.481	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	59.1	167.7	-67.3	-50.2	0	0	0	110.2	K21 S23 Q123	K21-N125 PolarHBondContact O-ND2 2.04Å; K21-N125 VanDerWaalsContact O-ND2 3.1Å; S23-N125 PolarHBondContact OG-ND2 3.5Å; Q123-N125 PolarHBondContact O-N 3.02Å
126	N	43.7	Very low	61.2	Low	136 Å²	136	99.5 Å²	99.5	73%	0.727	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173	28.1	165.6	-107	2	0	0	0	117.8	E124 I128	E124-N126 PolarHBondContact O-N 3.09Å; N126-I128 PolarHBondContact O-N 3.35Å
127	K	39.3	Very low	60.6	Low	198 Å²	198	97.3 Å²	97.3	86%	0.861	48%	0.478	S	S	*	.			trans	-75	79.9	158.3	-101.7	-176.7	179.7	170.3	0	109.9
128	I	33.3	Very low	59.8	Low	220 Å²	220	104.5 Å²	104.5	100%	1.128	51%	0.512	S	S	*	.			trans	-100.1	0	155.5	-61.2	177.4	0	0	0	107.2	N126	N126-I128 PolarHBondContact O-N 3.35Å

Retrieved 128 of 128 residues in 37.6 ms (Link to these results)

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