A0A077ZFD8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 126 aa.

						>A0A077ZFD8_TRITR|A0A077ZFD8
MEYIPKETRNVYGIPVETKEKEFMEYIRKQPKGVYGILTEAKGKEFIEYMPKQTTKVKGIPTEAKEKESMEYTPKETRRVYRIPVEAKEMEFMEYILKQTGRVYGIPIEATEKAYGIYSATNKKGL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	27.8	Very low	26.7	Very low	248 Å²	248	140.6 Å²	140.6	100%	1.222	66%	0.662	S	S	*	*				0	102.9	0	-79.9	-179.4	175.4	0	0	107
2	E	26.9	Very low	26.9	Very low	193 Å²	193	140.3 Å²	140.3	90%	0.902	65%	0.651	S	S	*	*			trans	-79	126.6	174.9	-94.9	177.4	140.9	0	0	110	I4	E2-I4 PolarHBondContact O-N 2.92Å
3	Y	23.2	Very low	27.3	Very low	201 Å²	201	133.7 Å²	133.7	79%	0.788	64%	0.644	S	S	*	*			trans	-75.6	108.2	176.5	177.8	-100.2	0	0	0	109.1	P5	Y3-P5 HydrophobicContact CD1-CG 4.08Å; Y3-P5 HydrophobicContact CE1-CB 4.06Å; Y3-P5 HydrophobicContact CE1-CG 3.89Å; Y3-P5 WeakPolarHBondContact O-CD 3.22Å
4	I	25.7	Very low	27.5	Very low	141 Å²	141	127.9 Å²	127.9	72%	0.723	62%	0.617	S	S	*	*			trans	-91.5	111.8	168.8	-56	176.9	0	0	0	107.1	E2 K6	E2-I4 PolarHBondContact O-N 2.92Å; I4-K6 PolarHBondContact O-N 2.73Å
5	P	24.1	Very low	27.6	Very low	62 Å²	62	125.5 Å²	125.5	40%	0.403	62%	0.616	S	S	.	*			trans	-61.9	124.8	179.7	-16.9	28.7	0	0	0	110.2	Y3 E7	Y3-P5 HydrophobicContact CD1-CG 4.08Å; Y3-P5 HydrophobicContact CE1-CB 4.06Å; Y3-P5 HydrophobicContact CE1-CG 3.89Å; Y3-P5 WeakPolarHBondContact O-CD 3.22Å; P5-E7 PolarHBondContact O-N 3.18Å
6	K	25.3	Very low	28	Very low	212 Å²	212	123.6 Å²	123.6	92%	0.922	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	12	-177.5	-89.1	-178.3	174.6	177.7	0	115.7	I4	I4-K6 PolarHBondContact O-N 2.73Å
7	E	25.8	Very low	28.5	Very low	135 Å²	135	127.2 Å²	127.2	63%	0.631	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	34.4	-176.9	-66.5	-148.9	130.2	0	0	115.4	P5 R9	P5-E7 PolarHBondContact O-N 3.18Å; E7-R9 PolarHBondContact O-N 2.87Å; E7-R9 IonicContact OE1-CZ 3.86Å; E7-R9 IonicContact OE1-NE 2.81Å; E7-R9 IonicContact OE1-NH2 3.59Å; E7-R9 PolarHBondContact OE1-NH2 3.05Å
8	T	26.5	Very low	29	Very low	82 Å²	82	123.5 Å²	123.5	50%	0.503	61%	0.614	S	S	.	*			trans	-76.3	73.2	171.3	46.4	0	0	0	0	111.2	N10	T8-N10 PolarHBondContact O-N 3.48Å; T8-N10 VanDerWaalsContact O-N 3.13Å
9	R	27.5	Very low	29.5	Very low	187 Å²	187	125.3 Å²	125.3	71%	0.706	62%	0.618	S	S	*	*			trans	-70.1	-2	-177.8	-65.4	-178.5	-172.4	176.9	4.5	114.5	E7	E7-R9 PolarHBondContact O-N 2.87Å; E7-R9 IonicContact OE1-CZ 3.86Å; E7-R9 IonicContact OE1-NE 2.81Å; E7-R9 IonicContact OE1-NH2 3.59Å; E7-R9 PolarHBondContact OE1-NH2 3.05Å
10	N	31.8	Very low	30	Very low	60 Å²	60	123.9 Å²	123.9	32%	0.321	61%	0.609	S	S	.	*			trans	-152.7	123.7	175.9	-58.5	-69.6	0	0	0	108.1	T8 Y12 Y35	T8-N10 PolarHBondContact O-N 3.48Å; T8-N10 VanDerWaalsContact O-N 3.13Å; N10-Y12 HydrophobicContact CB-CD2 4.08Å; N10-Y12 HydrophobicContact CB-CE1 4.39Å; N10-Y12 HydrophobicContact CB-CE2 3.32Å; N10-Y35 HydrophobicContact CB-CE2 3.96Å; N10-Y35 PolarHBondContact OD1-OH 3.31Å
11	V	28.6	Very low	30.5	Very low	26 Å²	26	126.7 Å²	126.7	16%	0.158	62%	0.618	C	S	.	*			trans	-85.3	141.6	168.3	-177.6	0	0	0	0	106.7	Y26 Y35	V11-Y26 HydrophobicContact CB-CE1 4.48Å; V11-Y26 HydrophobicContact CG1-CE1 4.03Å; V11-Y26 HydrophobicContact CG2-CE1 3.8Å; V11-Y26 VanDerWaalsContact CG2-OH 3.27Å; V11-Y26 WeakPolarHBondContact CG2-OH 3.11Å; V11-Y35 WeakPolarHBondContact O-CB 3.5Å; V11-Y35 WeakPolarHBondContact O-CD2 3.33Å
12	Y	30.1	Very low	31.2	Very low	137 Å²	137	121 Å²	121	54%	0.537	59%	0.588	S	S	.	*			trans	-134.8	111.1	-179.6	-68.9	-80.5	0	0	0	110.2	N10 Y81	N10-Y12 HydrophobicContact CB-CD2 4.08Å; N10-Y12 HydrophobicContact CB-CE1 4.39Å; N10-Y12 HydrophobicContact CB-CE2 3.32Å; Y12-Y81 HydrophobicContact CE1-CE1 4.2Å
13	G	31.7	Very low	31.9	Very low	54 Å²	54	112.4 Å²	112.4	56%	0.557	55%	0.548	S	S	*	.			trans	69.9	142.3	171.4	0	0	0	0	0	113.2
14	I	30.3	Very low	32.8	Very low	53 Å²	53	105.8 Å²	105.8	27%	0.272	53%	0.525	S	S	.	.			trans	-125.9	134.9	180	-73.1	-178.6	0	0	0	109	V16 T18 F23	I14-V16 PolarHBondContact O-N 3.21Å; I14-T18 HydrophobicContact CG2-CG2 4.49Å; I14-T18 WeakPolarHBondContact CG2-OG1 2.87Å; I14-F23 HydrophobicContact CD1-CD1 4.33Å; I14-F23 HydrophobicContact CD1-CD2 2.99Å; I14-F23 HydrophobicContact CD1-CE1 4.15Å; I14-F23 HydrophobicContact CD1-CE2 2.81Å; I14-F23 HydrophobicContact CD1-CG 3.81Å; I14-F23 HydrophobicContact CD1-CZ 3.42Å; I14-F23 VanDerWaalsContact CD1-CZ 3.42Å; I14-F23 HydrophobicContact CG1-CD2 4.46Å; I14-F23 HydrophobicContact CG1-CE2 4.23Å
15	P	28.9	Very low	33.8	Very low	91 Å²	91	104 Å²	104	59%	0.591	51%	0.514	S	S	*	.			trans	-59.9	136	175.9	23.9	-32.5	0	0	0	110	E17 T18	P15-E17 PolarHBondContact O-N 2.9Å; P15-T18 HydrophobicContact CG-CG2 4.36Å; P15-T18 PolarHBondContact O-N 3.5Å; P15-T18 PolarHBondContact O-OG1 3.11Å
16	V	33.8	Very low	34.6	Very low	96 Å²	96	105.8 Å²	105.8	58%	0.582	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-12.4	-176.8	-177.2	0	0	0	0	113.2	I14	I14-V16 PolarHBondContact O-N 3.21Å
17	E	36.1	Very low	35.4	Very low	185 Å²	185	97 Å²	97	86%	0.864	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	2.1	-172.6	-60	-176.3	156.3	0	0	115.2	P15 K19	P15-E17 PolarHBondContact O-N 2.9Å; E17-K19 PolarHBondContact O-N 3.48Å
18	T	36.9	Very low	36.2	Very low	60 Å²	60	98.7 Å²	98.7	37%	0.368	48%	0.477	S	S	.	.	S	Bend	trans	-77.7	126.3	176.7	35.8	0	0	0	0	111.4	I14 P15 E20	I14-T18 HydrophobicContact CG2-CG2 4.49Å; I14-T18 WeakPolarHBondContact CG2-OG1 2.87Å; P15-T18 HydrophobicContact CG-CG2 4.36Å; P15-T18 PolarHBondContact O-N 3.5Å; P15-T18 PolarHBondContact O-OG1 3.11Å; T18-E20 PolarHBondContact O-N 3.32Å; T18-E20 VanDerWaalsContact O-N 3.11Å
19	K	39.1	Very low	37	Very low	158 Å²	158	101.5 Å²	101.5	69%	0.687	48%	0.482	S	S	*	.			trans	-56.2	118.6	176.9	-70.1	176.4	-178.5	170.6	0	109.2	E17 K21 E22 F23	E17-K19 PolarHBondContact O-N 3.48Å; K19-K21 PolarHBondContact O-N 3.04Å; K19-E22 PolarHBondContact O-N 3.46Å; K19-F23 PolarHBondContact O-N 3.42Å
20	E	40	Very low	37.6	Very low	96 Å²	96	95.7 Å²	95.7	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-37.8	-37.6	-177.9	-172.9	177.2	-171.9	0	0	115.1	T18 M24	T18-E20 PolarHBondContact O-N 3.32Å; T18-E20 VanDerWaalsContact O-N 3.11Å; E20-M24 WeakPolarHBondContact O-CB 3.24Å; E20-M24 WeakPolarHBondContact O-CG 3.42Å; E20-M24 PolarHBondContact O-N 3.01Å
21	K	40.6	Very low	37.7	Very low	183 Å²	183	98.6 Å²	98.6	80%	0.796	49%	0.485	S	S	*	.	H	α-helix	trans	-67.2	-42	179.1	-72.5	-175.9	176.3	179.1	0	114.4	K19 F23 M24 E25	K19-K21 PolarHBondContact O-N 3.04Å; K21-F23 VanDerWaalsContact C-N 3.31Å; K21-M24 PolarHBondContact O-N 3.18Å; K21-E25 PolarHBondContact O-N 2.83Å
22	E	42.3	Very low	38	Very low	128 Å²	128	106.9 Å²	106.9	60%	0.598	52%	0.519	S	S	*	.	H	α-helix	trans	-69.3	-36.6	179.9	-68.5	177.7	175.4	0	0	110.5	K19 E25 Y26	K19-E22 PolarHBondContact O-N 3.46Å; E22-E25 PolarHBondContact O-N 3.24Å; E22-Y26 WeakPolarHBondContact O-CB 3.27Å; E22-Y26 PolarHBondContact O-N 2.74Å
23	F	41.9	Very low	38.2	Very low	14 Å²	14	101.4 Å²	101.4	6%	0.061	50%	0.504	C	S	.	.	H	α-helix	trans	-65	-48.5	175.4	176.4	-137.7	0	0	0	111.5	I14 K19 K21 E25 Y26 I27 F46	I14-F23 HydrophobicContact CD1-CD1 4.33Å; I14-F23 HydrophobicContact CD1-CD2 2.99Å; I14-F23 HydrophobicContact CD1-CE1 4.15Å; I14-F23 HydrophobicContact CD1-CE2 2.81Å; I14-F23 HydrophobicContact CD1-CG 3.81Å; I14-F23 HydrophobicContact CD1-CZ 3.42Å; I14-F23 VanDerWaalsContact CD1-CZ 3.42Å; I14-F23 HydrophobicContact CG1-CD2 4.46Å; I14-F23 HydrophobicContact CG1-CE2 4.23Å; K19-F23 PolarHBondContact O-N 3.42Å; K21-F23 VanDerWaalsContact C-N 3.31Å; F23-E25 PolarHBondContact O-N 3.41Å; F23-Y26 WeakPolarHBondContact O-CB 3.19Å; F23-Y26 PolarHBondContact O-N 3.32Å; F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 3.8Å; F23-I27 HydrophobicContact CD2-CG1 3.66Å; F23-I27 HydrophobicContact CE1-CD1 3.4Å; F23-I27 VanDerWaalsContact CE1-CD1 3.4Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CE2-CD1 3.27Å; F23-I27 HydrophobicContact CE2-CG1 3.2Å; F23-I27 HydrophobicContact CG-CD1 4.05Å; F23-I27 HydrophobicContact CG-CG1 4.34Å; F23-I27 HydrophobicContact CZ-CD1 3.12Å; F23-I27 HydrophobicContact CZ-CG1 3.63Å; F23-I27 VanDerWaalsContact O-CG1 3.27Å; F23-I27 WeakPolarHBondContact O-CG1 3.31Å; F23-I27 PolarHBondContact O-N 3.36Å; F23-F46 HydrophobicContact CD1-CZ 4.35Å; F23-F46 HydrophobicContact CE1-CE1 4.26Å; F23-F46 HydrophobicContact CE1-CZ 4.13Å
24	M	41.8	Very low	38.2	Very low	62 Å²	62	101.9 Å²	101.9	31%	0.305	50%	0.496	S	S	.	.	H	α-helix	trans	-57.7	-36	177.3	-74.3	-76.7	-96.2	0	0	112.7	E20 K21 R28 F46	E20-M24 WeakPolarHBondContact O-CB 3.24Å; E20-M24 WeakPolarHBondContact O-CG 3.42Å; E20-M24 PolarHBondContact O-N 3.01Å; K21-M24 PolarHBondContact O-N 3.18Å; M24-R28 VanDerWaalsContact O-CG 3.31Å; M24-R28 WeakPolarHBondContact O-CG 3.42Å; M24-R28 PolarHBondContact O-N 2.79Å; M24-F46 HydrophobicContact CG-CZ 4.47Å; M24-F46 HydrophobicContact SD-CE2 4.01Å; M24-F46 HydrophobicContact SD-CZ 3.68Å
25	E	46.4	Very low	38.4	Very low	103 Å²	103	101.2 Å²	101.2	48%	0.481	49%	0.491	S	S	.	.	H	α-helix	trans	-71.7	-35.8	176.1	-144.2	-164.4	135.7	0	0	112.7	K21 E22 F23 K29	K21-E25 PolarHBondContact O-N 2.83Å; E22-E25 PolarHBondContact O-N 3.24Å; F23-E25 PolarHBondContact O-N 3.41Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.04Å; E25-K29 IonicContact OE1-NZ 2.71Å; E25-K29 PolarHBondContact OE1-NZ 3.19Å
26	Y	40.5	Very low	38.6	Very low	100 Å²	100	98.4 Å²	98.4	39%	0.392	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-42.9	174.4	-177.4	-98.2	0	0	0	112	V11 E22 F23 R28 K29 Q30	V11-Y26 HydrophobicContact CB-CE1 4.48Å; V11-Y26 HydrophobicContact CG1-CE1 4.03Å; V11-Y26 HydrophobicContact CG2-CE1 3.8Å; V11-Y26 VanDerWaalsContact CG2-OH 3.27Å; V11-Y26 WeakPolarHBondContact CG2-OH 3.11Å; E22-Y26 WeakPolarHBondContact O-CB 3.27Å; E22-Y26 PolarHBondContact O-N 2.74Å; F23-Y26 WeakPolarHBondContact O-CB 3.19Å; F23-Y26 PolarHBondContact O-N 3.32Å; Y26-R28 VanDerWaalsContact C-N 3.35Å; Y26-R28 PolarHBondContact O-N 3.04Å; Y26-K29 PolarHBondContact O-N 2.87Å; Y26-Q30 HydrophobicContact CE1-CG 4.25Å; Y26-Q30 WeakPolarHBondContact O-CG 2.94Å
27	I	42.5	Very low	38.7	Very low	27 Å²	27	96.8 Å²	96.8	14%	0.138	47%	0.465	C	S	.	.	H	α-helix	trans	-56.3	-48.1	174.4	-69.1	177.9	0	0	0	111.2	F23 K29 Q30 V34 F46	F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 3.8Å; F23-I27 HydrophobicContact CD2-CG1 3.66Å; F23-I27 HydrophobicContact CE1-CD1 3.4Å; F23-I27 VanDerWaalsContact CE1-CD1 3.4Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CE2-CD1 3.27Å; F23-I27 HydrophobicContact CE2-CG1 3.2Å; F23-I27 HydrophobicContact CG-CD1 4.05Å; F23-I27 HydrophobicContact CG-CG1 4.34Å; F23-I27 HydrophobicContact CZ-CD1 3.12Å; F23-I27 HydrophobicContact CZ-CG1 3.63Å; F23-I27 VanDerWaalsContact O-CG1 3.27Å; F23-I27 WeakPolarHBondContact O-CG1 3.31Å; F23-I27 PolarHBondContact O-N 3.36Å; I27-K29 PolarHBondContact O-N 3.41Å; I27-Q30 PolarHBondContact O-N 3.11Å; I27-V34 HydrophobicContact CB-CG1 4.05Å; I27-V34 HydrophobicContact CB-CG2 4.19Å; I27-V34 HydrophobicContact CD1-CG1 3.83Å; I27-V34 HydrophobicContact CG1-CG1 3.48Å; I27-V34 VanDerWaalsContact CG1-CG1 3.48Å; I27-V34 HydrophobicContact CG1-CG2 4.42Å; I27-V34 HydrophobicContact CG2-CB 4.15Å; I27-V34 HydrophobicContact CG2-CG1 3.73Å; I27-V34 HydrophobicContact CG2-CG2 3.75Å; I27-F46 HydrophobicContact CD1-CE1 4.4Å
28	R	42.6	Very low	38.4	Very low	171 Å²	171	90.5 Å²	90.5	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-59.9	-27.5	-178.7	-77.8	174.7	179.7	170.2	1.3	113.1	M24 Y26	M24-R28 VanDerWaalsContact O-CG 3.31Å; M24-R28 WeakPolarHBondContact O-CG 3.42Å; M24-R28 PolarHBondContact O-N 2.79Å; Y26-R28 VanDerWaalsContact C-N 3.35Å; Y26-R28 PolarHBondContact O-N 3.04Å
29	K	43.9	Very low	38.2	Very low	140 Å²	140	89.7 Å²	89.7	61%	0.609	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.4	-179.9	-68	172.3	-172.5	166.2	0	113.5	E25 Y26 I27 P31	E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.04Å; E25-K29 IonicContact OE1-NZ 2.71Å; E25-K29 PolarHBondContact OE1-NZ 3.19Å; Y26-K29 PolarHBondContact O-N 2.87Å; I27-K29 PolarHBondContact O-N 3.41Å; K29-P31 VanDerWaalsContact O-CD 3.23Å; K29-P31 WeakPolarHBondContact O-CD 3.13Å
30	Q	39.6	Very low	38.1	Very low	66 Å²	66	89.5 Å²	89.5	31%	0.308	43%	0.434	S	S	.	.			trans	-107.4	96	-176.4	-67.3	-63.9	-32.3	0	0	111.7	Y26 I27 K32 V34	Y26-Q30 HydrophobicContact CE1-CG 4.25Å; Y26-Q30 WeakPolarHBondContact O-CG 2.94Å; I27-Q30 PolarHBondContact O-N 3.11Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.81Å; Q30-V34 HydrophobicContact CB-CG2 3.78Å
31	P	33.4	Very low	37.8	Very low	121 Å²	121	86.4 Å²	86.4	79%	0.786	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.9	-170.4	26.7	-34.1	0	0	0	115.8	K29	K29-P31 VanDerWaalsContact O-CD 3.23Å; K29-P31 WeakPolarHBondContact O-CD 3.13Å
32	K	34.8	Very low	37.5	Very low	199 Å²	199	87.1 Å²	87.1	87%	0.865	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	17.6	-168	-70.5	-168.2	177.9	179.7	0	117.5	Q30	Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.81Å
33	G	35.3	Very low	37.2	Very low	23 Å²	23	83.7 Å²	83.7	24%	0.237	43%	0.427	C	S	.	.			trans	156.9	100.5	173.4	0	0	0	0	0	111.2	Y35	G33-Y35 VanDerWaalsContact O-CD2 3.23Å; G33-Y35 WeakPolarHBondContact O-CD2 3.26Å; G33-Y35 WeakPolarHBondContact O-CE2 3.34Å
34	V	32.2	Very low	37	Very low	63 Å²	63	92 Å²	92	38%	0.382	46%	0.463	S	S	.	.			trans	-104.3	122.8	172.4	168.7	0	0	0	0	106.8	I27 Q30	I27-V34 HydrophobicContact CB-CG1 4.05Å; I27-V34 HydrophobicContact CB-CG2 4.19Å; I27-V34 HydrophobicContact CD1-CG1 3.83Å; I27-V34 HydrophobicContact CG1-CG1 3.48Å; I27-V34 VanDerWaalsContact CG1-CG1 3.48Å; I27-V34 HydrophobicContact CG1-CG2 4.42Å; I27-V34 HydrophobicContact CG2-CB 4.15Å; I27-V34 HydrophobicContact CG2-CG1 3.73Å; I27-V34 HydrophobicContact CG2-CG2 3.75Å; Q30-V34 HydrophobicContact CB-CG2 3.78Å
35	Y	34.3	Very low	36.7	Very low	40 Å²	40	96.8 Å²	96.8	16%	0.157	48%	0.484	C	S	.	.			trans	-123.3	119.3	-173.4	-56.1	-99	0	0	0	107.5	N10 V11 G33	N10-Y35 HydrophobicContact CB-CE2 3.96Å; N10-Y35 PolarHBondContact OD1-OH 3.31Å; V11-Y35 WeakPolarHBondContact O-CB 3.5Å; V11-Y35 WeakPolarHBondContact O-CD2 3.33Å; G33-Y35 VanDerWaalsContact O-CD2 3.23Å; G33-Y35 WeakPolarHBondContact O-CD2 3.26Å; G33-Y35 WeakPolarHBondContact O-CE2 3.34Å
36	G	33.5	Very low	36.2	Very low	31 Å²	31	94.7 Å²	94.7	32%	0.32	47%	0.474	S	S	.	.			trans	156.9	124.7	174.2	0	0	0	0	0	111.4
37	I	34.3	Very low	35.9	Very low	63 Å²	63	94.6 Å²	94.6	32%	0.323	48%	0.479	S	S	.	.			trans	-111.5	122.4	170.4	-66	175.1	0	0	0	106.5	T39 K58 G59	I37-T39 PolarHBondContact O-N 3.24Å; I37-K58 HydrophobicContact CD1-CB 4.42Å; I37-K58 HydrophobicContact CD1-CG 4.16Å; I37-G59 VanDerWaalsContact CD1-N 3.34Å; I37-G59 WeakPolarHBondContact CD1-O 3.46Å
38	L	30	Very low	35.4	Very low	53 Å²	53	102.1 Å²	102.1	28%	0.277	51%	0.513	S	S	.	.			trans	-57.9	118.6	170.2	-74.8	146.9	0	0	0	108.5	E40 A41 F46	L38-E40 PolarHBondContact O-N 2.85Å; L38-A41 HydrophobicContact CB-CB 3.64Å; L38-A41 HydrophobicContact CD1-CB 3.69Å; L38-A41 HydrophobicContact CD2-CB 4.1Å; L38-A41 HydrophobicContact CG-CB 4.01Å; L38-F46 HydrophobicContact CD1-CD1 4.05Å; L38-F46 HydrophobicContact CD1-CD2 3.42Å; L38-F46 VanDerWaalsContact CD1-CD2 3.42Å; L38-F46 HydrophobicContact CD1-CE1 3.69Å; L38-F46 HydrophobicContact CD1-CE2 3.03Å; L38-F46 HydrophobicContact CD1-CG 3.93Å; L38-F46 HydrophobicContact CD1-CZ 3.18Å; L38-F46 HydrophobicContact CG-CZ 4.46Å
39	T	34.1	Very low	35	Very low	42 Å²	42	101.7 Å²	101.7	26%	0.258	51%	0.513	S	S	.	.	S	Bend	trans	-77.4	-3.1	176.1	35.8	0	0	0	0	113.2	I37	I37-T39 PolarHBondContact O-N 3.24Å
40	E	36	Very low	34.4	Very low	154 Å²	154	99.4 Å²	99.4	72%	0.72	51%	0.506	S	S	*	.	S	Bend	trans	-144.3	1.8	-177.2	-72	-175.6	151.5	0	0	115.7	L38 K42	L38-E40 PolarHBondContact O-N 2.85Å; E40-K42 PolarHBondContact O-N 2.9Å
41	A	34.9	Very low	34.1	Very low	32 Å²	32	100.7 Å²	100.7	26%	0.264	52%	0.52	S	S	.	.	S	Bend	trans	-84.9	109.3	176.3	0	0	0	0	0	109.5	L38 G43	L38-A41 HydrophobicContact CB-CB 3.64Å; L38-A41 HydrophobicContact CD1-CB 3.69Å; L38-A41 HydrophobicContact CD2-CB 4.1Å; L38-A41 HydrophobicContact CG-CB 4.01Å; A41-G43 WeakPolarHBondContact O-CA 3.14Å; A41-G43 PolarHBondContact O-N 3.36Å
42	K	33.7	Very low	34.2	Very low	198 Å²	198	105.3 Å²	105.3	86%	0.861	53%	0.527	S	S	*	.			trans	-25.5	103.6	170.2	-70.4	179.7	176.3	176.4	0	111.3	E40 K44	E40-K42 PolarHBondContact O-N 2.9Å; K42-K44 PolarHBondContact O-N 3.32Å
43	G	35.8	Very low	34	Very low	55 Å²	55	104.4 Å²	104.4	57%	0.567	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	32.5	-159.9	0	0	0	0	0	118.5	A41 I47	A41-G43 WeakPolarHBondContact O-CA 3.14Å; A41-G43 PolarHBondContact O-N 3.36Å; G43-I47 VanDerWaalsContact O-CD1 3.24Å; G43-I47 WeakPolarHBondContact O-CD1 3.43Å
44	K	37.2	Very low	34	Very low	189 Å²	189	106.5 Å²	106.5	82%	0.822	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-35.1	179.5	-72.8	-171.9	175.6	-176.2	0	114.6	K42	K42-K44 PolarHBondContact O-N 3.32Å
45	E	36.8	Very low	34.1	Very low	163 Å²	163	110.1 Å²	110.1	76%	0.762	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-87.4	-19.9	-174.6	-69.5	-173.1	146.1	0	0	114.1	I47	E45-I47 VanDerWaalsContact C-N 3.28Å; E45-I47 PolarHBondContact O-N 2.79Å
46	F	35.1	Very low	34.2	Very low	59 Å²	59	112.8 Å²	112.8	26%	0.259	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-78.5	-9.2	-178	-112.6	-98	0	0	0	114.6	F23 M24 I27 L38	F23-F46 HydrophobicContact CD1-CZ 4.35Å; F23-F46 HydrophobicContact CE1-CE1 4.26Å; F23-F46 HydrophobicContact CE1-CZ 4.13Å; M24-F46 HydrophobicContact CG-CZ 4.47Å; M24-F46 HydrophobicContact SD-CE2 4.01Å; M24-F46 HydrophobicContact SD-CZ 3.68Å; I27-F46 HydrophobicContact CD1-CE1 4.4Å; L38-F46 HydrophobicContact CD1-CD1 4.05Å; L38-F46 HydrophobicContact CD1-CD2 3.42Å; L38-F46 VanDerWaalsContact CD1-CD2 3.42Å; L38-F46 HydrophobicContact CD1-CE1 3.69Å; L38-F46 HydrophobicContact CD1-CE2 3.03Å; L38-F46 HydrophobicContact CD1-CG 3.93Å; L38-F46 HydrophobicContact CD1-CZ 3.18Å; L38-F46 HydrophobicContact CG-CZ 4.46Å
47	I	33	Very low	34.4	Very low	98 Å²	98	113 Å²	113	50%	0.503	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-82.8	-23.2	-171.5	-62	179.3	0	0	0	112.2	G43 E45	G43-I47 VanDerWaalsContact O-CD1 3.24Å; G43-I47 WeakPolarHBondContact O-CD1 3.43Å; E45-I47 VanDerWaalsContact C-N 3.28Å; E45-I47 PolarHBondContact O-N 2.79Å
48	E	32.4	Very low	34.8	Very low	184 Å²	184	113.3 Å²	113.3	86%	0.86	56%	0.564	S	S	*	*	S	Bend	trans	-82.9	-16.5	-175.4	-80.6	-171	147.1	0	0	115
49	Y	34.1	Very low	35.2	Very low	162 Å²	162	111.7 Å²	111.7	64%	0.635	56%	0.559	S	S	*	*			trans	-109.7	50.7	-170.5	-142.3	-89.5	0	0	0	113.9
50	M	31.6	Very low	35.5	Very low	93 Å²	93	111.1 Å²	111.1	46%	0.458	55%	0.554	S	S	.	*			trans	-113	125.7	169.3	-78.8	-164.1	175.5	0	0	112	K52	M50-K52 PolarHBondContact O-N 3.04Å
51	P	33	Very low	35.7	Very low	92 Å²	92	106.7 Å²	106.7	60%	0.597	54%	0.539	S	S	*	.			trans	-63.3	131.4	175.3	23.8	-30.1	0	0	0	110	Q53 T54	P51-Q53 PolarHBondContact O-N 3.21Å; P51-T54 HydrophobicContact CG-CG2 4.21Å; P51-T54 PolarHBondContact O-N 3.22Å
52	K	35.3	Very low	36	Very low	218 Å²	218	108.5 Å²	108.5	95%	0.948	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	8	178.9	-71.9	-179.5	175.5	178.3	0	115.6	M50	M50-K52 PolarHBondContact O-N 3.04Å
53	Q	31.7	Very low	36.3	Very low	181 Å²	181	106.7 Å²	106.7	85%	0.846	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	20.6	-176	-66.8	-161.4	-18.6	0	0	114.3	P51 T55	P51-Q53 PolarHBondContact O-N 3.21Å; Q53-T55 PolarHBondContact O-N 2.69Å
54	T	35.2	Very low	36.6	Very low	66 Å²	66	105.4 Å²	105.4	41%	0.405	53%	0.525	S	S	.	.			trans	-79.7	104.5	175.9	51	0	0	0	0	111.3	P51 K56	P51-T54 HydrophobicContact CG-CG2 4.21Å; P51-T54 PolarHBondContact O-N 3.22Å; T54-K56 PolarHBondContact O-N 3.21Å; T54-K56 VanDerWaalsContact O-N 3.16Å
55	T	34.3	Very low	36.7	Very low	140 Å²	140	104.8 Å²	104.8	86%	0.859	52%	0.522	S	S	*	.	S	Bend	trans	-73.8	11.6	168.1	41	0	0	0	0	113.5	Q53	Q53-T55 PolarHBondContact O-N 2.69Å
56	K	36.7	Very low	36.9	Very low	96 Å²	96	102.9 Å²	102.9	42%	0.417	51%	0.514	S	S	.	.	S	Bend	trans	-151.7	115	-173.2	-60.2	178.7	-172.1	165.5	0	109.3	T54	T54-K56 PolarHBondContact O-N 3.21Å; T54-K56 VanDerWaalsContact O-N 3.16Å
57	V	36.5	Very low	37.2	Very low	35 Å²	35	108.8 Å²	108.8	21%	0.212	54%	0.539	C	S	.	.			trans	-151.3	141.6	-174.6	170.7	0	0	0	0	104.3	P74 T77	V57-P74 HydrophobicContact CB-CG 4.06Å; V57-P74 HydrophobicContact CG1-CG 4.09Å; V57-T77 WeakPolarHBondContact O-CG2 3.39Å
58	K	44.1	Very low	37.5	Very low	70 Å²	70	110 Å²	110	30%	0.304	54%	0.543	S	S	.	.			cis	-160.8	154.5	0.8	-118.1	167.4	-177.5	-179.9	0	105.1	I37 Y72	I37-K58 HydrophobicContact CD1-CB 4.42Å; I37-K58 HydrophobicContact CD1-CG 4.16Å; K58-Y72 HydrophobicContact CD-CD1 4.44Å
59	G	38	Very low	37.9	Very low	18 Å²	18	102 Å²	102	19%	0.186	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-74.4	161.5	154.8	0	0	0	0	0	109.7	I37	I37-G59 VanDerWaalsContact CD1-N 3.34Å; I37-G59 WeakPolarHBondContact CD1-O 3.46Å
60	I	41.1	Very low	38	Very low	30 Å²	30	99.5 Å²	99.5	15%	0.154	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-99.5	134.4	176.4	-76.4	159.2	0	0	0	109.2	T62 P84 F92	I60-T62 PolarHBondContact O-N 2.85Å; I60-P84 HydrophobicContact CB-CG 4.46Å; I60-P84 HydrophobicContact CG2-CG 4.23Å; I60-F92 HydrophobicContact CD1-CD1 4.35Å; I60-F92 HydrophobicContact CD1-CE1 3.31Å; I60-F92 HydrophobicContact CD1-CE2 3.66Å; I60-F92 HydrophobicContact CD1-CZ 2.92Å; I60-F92 HydrophobicContact CG1-CZ 4.4Å
61	P	40	Very low	38.3	Very low	61 Å²	61	103.2 Å²	103.2	40%	0.396	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-60.7	130.9	170.4	-12.8	25.5	0	0	0	109.2	E63 A64	P61-E63 PolarHBondContact O-N 3.48Å; P61-A64 HydrophobicContact CB-CB 4.14Å; P61-A64 HydrophobicContact CG-CB 4.09Å; P61-A64 PolarHBondContact O-N 3.17Å; P61-A64 VanDerWaalsContact O-N 3.11Å
62	T	39.8	Very low	38.7	Very low	70 Å²	70	104.3 Å²	104.3	43%	0.429	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-15.8	173.4	15.3	0	0	0	0	113.3	I60 P84	I60-T62 PolarHBondContact O-N 2.85Å; T62-P84 HydrophobicContact CG2-CB 3.7Å; T62-P84 HydrophobicContact CG2-CG 4.49Å
63	E	40.8	Very low	38.9	Very low	161 Å²	161	95.3 Å²	95.3	75%	0.752	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	2.3	-179	-61.6	-173.2	155.7	0	0	114.4	P61 K65	P61-E63 PolarHBondContact O-N 3.48Å; E63-K65 PolarHBondContact O-N 3.2Å
64	A	41.8	Very low	39.2	Very low	27 Å²	27	89.3 Å²	89.3	22%	0.223	45%	0.452	C	S	.	.	S	Bend	trans	-72.7	113.8	175.6	0	0	0	0	0	109	P61 E66	P61-A64 HydrophobicContact CB-CB 4.14Å; P61-A64 HydrophobicContact CG-CB 4.09Å; P61-A64 PolarHBondContact O-N 3.17Å; P61-A64 VanDerWaalsContact O-N 3.11Å; A64-E66 PolarHBondContact O-N 3.45Å
65	K	40	Very low	39.5	Very low	176 Å²	176	96.2 Å²	96.2	77%	0.765	48%	0.476	S	S	*	.			trans	-48	133.4	172.8	-71.6	-179.2	176.9	179.3	0	109.5	E63 K67 E68	E63-K65 PolarHBondContact O-N 3.2Å; K65-K67 PolarHBondContact O-N 3.07Å; K65-E68 PolarHBondContact O-N 3.21Å
66	E	40.9	Very low	39.7	Very low	123 Å²	123	98.1 Å²	98.1	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-34	-31.3	-173.6	-81	174	150.4	0	0	117.3	A64 S69	A64-E66 PolarHBondContact O-N 3.45Å; E66-S69 PolarHBondContact O-OG 3.36Å
67	K	40.1	Very low	39.9	Very low	183 Å²	183	94.3 Å²	94.3	80%	0.796	46%	0.46	S	S	*	.	H	α-helix	trans	-78.7	-34.5	179.5	-81.2	-174	172.7	-177.3	0	114.3	K65	K65-K67 PolarHBondContact O-N 3.07Å
68	E	40.5	Very low	40	Very low	124 Å²	124	103.1 Å²	103.1	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-77.3	-29.6	-178.1	-72	-177	167.9	0	0	111.1	K65 Y72	K65-E68 PolarHBondContact O-N 3.21Å; E68-Y72 WeakPolarHBondContact O-CD2 3.42Å
69	S	39.9	Very low	39.8	Very low	16 Å²	16	103.8 Å²	103.8	11%	0.112	49%	0.49	C	S	.	.	H	α-helix	trans	-71.1	-34.2	179	54.6	0	0	0	0	113.2	E66	E66-S69 PolarHBondContact O-OG 3.36Å
70	M	37.6	Very low	39.9	Very low	110 Å²	110	103.2 Å²	103.2	54%	0.542	48%	0.483	S	S	.	.	H	α-helix	trans	-72.7	-36.9	-179.3	-68.1	-173.9	-172.6	0	0	113.4	Y72 T73	M70-Y72 PolarHBondContact O-N 3.15Å; M70-T73 PolarHBondContact O-N 2.96Å; M70-T73 PolarHBondContact O-OG1 3.45Å
71	E	37.4	Very low	39.8	Very low	170 Å²	170	104.1 Å²	104.1	79%	0.794	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-24.7	177.6	-100.4	-177.8	172.8	0	0	113.2	T73	E71-T73 VanDerWaalsContact C-N 3.3Å; E71-T73 PolarHBondContact O-N 3.44Å
72	Y	40	Very low	39.8	Very low	116 Å²	116	107.3 Å²	107.3	46%	0.455	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.1	-176.6	-89.1	-93.6	0	0	0	114.5	K58 E68 M70 P74	K58-Y72 HydrophobicContact CD-CD1 4.44Å; E68-Y72 WeakPolarHBondContact O-CD2 3.42Å; M70-Y72 PolarHBondContact O-N 3.15Å; Y72-P74 WeakPolarHBondContact O-CD 3.47Å
73	T	41.1	Very low	39.9	Very low	29 Å²	29	104 Å²	104	18%	0.178	47%	0.469	C	S	.	.	S	Bend	trans	-83.2	111.9	177.5	-24	0	0	0	0	109.9	M70 E71 K75 Y95 I96	M70-T73 PolarHBondContact O-N 2.96Å; M70-T73 PolarHBondContact O-OG1 3.45Å; E71-T73 VanDerWaalsContact C-N 3.3Å; E71-T73 PolarHBondContact O-N 3.44Å; T73-K75 PolarHBondContact O-N 3.36Å; T73-Y95 HydrophobicContact CG2-CE1 4.48Å; T73-I96 HydrophobicContact CG2-CD1 3.87Å
74	P	38.3	Very low	39.9	Very low	54 Å²	54	96.9 Å²	96.9	35%	0.351	44%	0.436	S	S	.	.			trans	-58.6	132.9	173.4	-18.1	28.7	0	0	0	110.3	V57 Y72 E76 T77	V57-P74 HydrophobicContact CB-CG 4.06Å; V57-P74 HydrophobicContact CG1-CG 4.09Å; Y72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-E76 PolarHBondContact O-N 2.76Å; P74-T77 WeakPolarHBondContact CB-OG1 2.81Å; P74-T77 WeakPolarHBondContact CD-OG1 3.27Å; P74-T77 HydrophobicContact CG-CG2 4.28Å; P74-T77 PolarHBondContact O-N 3.47Å; P74-T77 PolarHBondContact O-OG1 2.96Å
75	K	40.1	Very low	39.8	Very low	211 Å²	211	98.9 Å²	98.9	92%	0.917	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.1	175.8	-72.8	-178.3	176.6	177.8	0	113.8	T73	T73-K75 PolarHBondContact O-N 3.36Å
76	E	39	Very low	40	Very low	181 Å²	181	96.3 Å²	96.3	85%	0.846	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	37.1	178.1	-63.3	-161	158.7	0	0	113.5	P74 R78	P74-E76 PolarHBondContact O-N 2.76Å; E76-R78 PolarHBondContact O-N 3.25Å; E76-R78 VanDerWaalsContact O-N 3.13Å
77	T	41.6	Very low	39.6	Very low	15 Å²	15	94.6 Å²	94.6	9%	0.092	44%	0.443	C	S	.	.			trans	-76.7	106.1	177.9	-22.2	0	0	0	0	110.8	V57 P74 R79 V80 T100	V57-T77 WeakPolarHBondContact O-CG2 3.39Å; P74-T77 WeakPolarHBondContact CB-OG1 2.81Å; P74-T77 WeakPolarHBondContact CD-OG1 3.27Å; P74-T77 HydrophobicContact CG-CG2 4.28Å; P74-T77 PolarHBondContact O-N 3.47Å; P74-T77 PolarHBondContact O-OG1 2.96Å; T77-R79 WeakPolarHBondContact CG2-O 3.48Å; T77-R79 PolarHBondContact O-N 3.42Å; T77-V80 HydrophobicContact CG2-CG2 4.47Å; T77-T100 WeakPolarHBondContact O-CG2 3.01Å
78	R	38.7	Very low	39.7	Very low	221 Å²	221	93.1 Å²	93.1	83%	0.834	44%	0.437	S	S	*	.	S	Bend	trans	-70.4	-13.5	174.5	-71.6	-176	179	168.9	0.8	113.7	E76	E76-R78 PolarHBondContact O-N 3.25Å; E76-R78 VanDerWaalsContact O-N 3.13Å
79	R	39.3	Very low	40.1	Very low	84 Å²	84	89 Å²	89	32%	0.317	42%	0.417	S	S	.	.			trans	-155.5	127.8	-172.8	-58.4	-173.8	-175.3	178.8	-2.5	111.9	T77 Y81 R102	T77-R79 WeakPolarHBondContact CG2-O 3.48Å; T77-R79 PolarHBondContact O-N 3.42Å; R79-Y81 HydrophobicContact CB-CD2 4.08Å; R79-Y81 HydrophobicContact CB-CE2 3.32Å; R79-Y81 WeakPolarHBondContact CD-OH 3.26Å; R79-Y81 HydrophobicContact CG-CE2 4.32Å; R79-Y81 PolarHBondContact NH1-OH 3.38Å; R79-R102 WeakPolarHBondContact CA-O 3.18Å; R79-R102 HydrophobicContact CG-CB 4.45Å
80	V	40.7	Very low	40.3	Very low	6 Å²	6	93.3 Å²	93.3	4%	0.036	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-113.7	137.8	172.7	169.7	0	0	0	0	109.2	T77 I96 T100 R102 V103 Y104	T77-V80 HydrophobicContact CG2-CG2 4.47Å; V80-I96 HydrophobicContact CB-CG2 3.53Å; V80-I96 HydrophobicContact CG1-CD1 4.26Å; V80-I96 HydrophobicContact CG1-CG1 4.47Å; V80-I96 HydrophobicContact CG1-CG2 3.56Å; V80-I96 HydrophobicContact CG2-CD1 3.84Å; V80-I96 HydrophobicContact CG2-CG2 3.81Å; V80-T100 HydrophobicContact CB-CG2 4.34Å; V80-T100 HydrophobicContact CG2-CG2 3.61Å; V80-R102 PolarHBondContact N-O 3.42Å; V80-V103 CarbonylContact O-C 3.54Å; V80-V103 VanDerWaalsContact O-CA 3.29Å; V80-V103 WeakPolarHBondContact O-CA 3.22Å; V80-Y104 PolarHBondContact O-N 2.85Å
81	Y	38.7	Very low	40.9	Very low	49 Å²	49	95.6 Å²	95.6	19%	0.192	45%	0.446	C	S	.	.			trans	-119.6	-1.1	-161.5	-78.3	-88.6	0	0	0	115.5	Y12 R79 Y104 G105	Y12-Y81 HydrophobicContact CE1-CE1 4.2Å; R79-Y81 HydrophobicContact CB-CD2 4.08Å; R79-Y81 HydrophobicContact CB-CE2 3.32Å; R79-Y81 WeakPolarHBondContact CD-OH 3.26Å; R79-Y81 HydrophobicContact CG-CE2 4.32Å; R79-Y81 PolarHBondContact NH1-OH 3.38Å; Y81-Y104 CarbonylContact C-O 3.52Å; Y81-Y104 WeakPolarHBondContact CA-O 3.47Å; Y81-Y104 AromaticContact CD1-CD2 3.86Å; Y81-Y104 HydrophobicContact CD1-CD2 3.86Å; Y81-Y104 AromaticContact CD1-CG 3.87Å; Y81-Y104 HydrophobicContact CD1-CG 3.87Å; Y81-Y104 AromaticContact CE1-CD2 3.36Å; Y81-Y104 HydrophobicContact CE1-CD2 3.36Å; Y81-Y104 HydrophobicContact CE1-CE2 4.12Å; Y81-Y104 AromaticContact CE1-CG 3.65Å; Y81-Y104 HydrophobicContact CE1-CG 3.65Å; Y81-Y104 AromaticContact CZ-CD2 3.76Å; Y81-Y104 CarbonylContact O-C 3.48Å; Y81-G105 WeakPolarHBondContact O-CA 3.4Å
82	R	39	Very low	41.4	Very low	128 Å²	128	88.2 Å²	88.2	48%	0.483	41%	0.412	S	S	.	.			trans	-166.8	137.7	166.7	-157.8	169.4	178.8	-180	-2.8	111.7	Y104 G105	R82-Y104 PolarHBondContact N-O 3.01Å; R82-G105 WeakPolarHBondContact CA-O 3.46Å; R82-G105 WeakPolarHBondContact CG-O 3.41Å
83	I	43.3	Very low	41.8	Very low	1 Å²	1	83.2 Å²	83.2	1%	0.005	39%	0.393	C	S	.	.			trans	-118.5	130.9	172.5	-56.5	166.4	0	0	0	106.7	F92 M93 I96 V103 P107	I83-F92 HydrophobicContact CG1-CE1 4.45Å; I83-F92 HydrophobicContact CG2-CD1 3.93Å; I83-F92 HydrophobicContact CG2-CE1 4.4Å; I83-M93 HydrophobicContact CB-CG 4.39Å; I83-M93 HydrophobicContact CB-SD 3.46Å; I83-M93 WeakPolarHBondContact CB-SD 3.49Å; I83-M93 HydrophobicContact CD1-CB 4.44Å; I83-M93 HydrophobicContact CD1-CE 4.49Å; I83-M93 HydrophobicContact CD1-CG 4.09Å; I83-M93 HydrophobicContact CD1-SD 3.1Å; I83-M93 WeakPolarHBondContact CD1-SD 3.33Å; I83-M93 HydrophobicContact CG1-SD 3.79Å; I83-M93 HydrophobicContact CG2-CG 3.55Å; I83-M93 HydrophobicContact CG2-SD 3.26Å; I83-M93 WeakPolarHBondContact CG2-SD 3.25Å; I83-I96 HydrophobicContact CD1-CB 4.41Å; I83-I96 HydrophobicContact CD1-CG2 4.11Å; I83-V103 HydrophobicContact CD1-CG1 3.87Å; I83-P107 WeakPolarHBondContact O-CD 3.41Å; I83-P107 WeakPolarHBondContact O-CG 3.26Å
84	P	40.7	Very low	42.2	Very low	11 Å²	11	85.9 Å²	85.9	7%	0.071	40%	0.403	C	S	.	.			trans	-68	171.7	179.9	-8.8	25.7	0	0	0	111.2	I60 T62 E89	I60-P84 HydrophobicContact CB-CG 4.46Å; I60-P84 HydrophobicContact CG2-CG 4.23Å; T62-P84 HydrophobicContact CG2-CB 3.7Å; T62-P84 HydrophobicContact CG2-CG 4.49Å; P84-E89 VanDerWaalsContact CA-OE2 3.26Å; P84-E89 WeakPolarHBondContact CA-OE2 3.05Å; P84-E89 VanDerWaalsContact CB-CD 3.49Å; P84-E89 WeakPolarHBondContact CB-OE1 3.33Å; P84-E89 WeakPolarHBondContact CB-OE2 3.12Å; P84-E89 WeakPolarHBondContact CD-OE1 2.92Å; P84-E89 WeakPolarHBondContact CG-OE1 3.23Å
85	V	39.8	Very low	42.8	Very low	68 Å²	68	88.7 Å²	88.7	41%	0.412	41%	0.407	S	S	.	.			trans	-110.4	61.5	-178.2	-164.6	0	0	0	0	109.8	E89 P107 E109	V85-E89 PolarHBondContact N-OE2 3.42Å; V85-P107 HydrophobicContact CG2-CB 3.11Å; V85-P107 HydrophobicContact CG2-CG 3.25Å; V85-E109 HydrophobicContact CG1-CB 4.24Å
86	E	42.8	Very low	43.2	Very low	123 Å²	123	78.7 Å²	78.7	58%	0.575	36%	0.364	S	S	*	.			trans	-111	138	163.1	-64.5	-163.3	171.5	0	0	109.8	K88 E89	E86-K88 PolarHBondContact O-N 3.19Å; E86-E89 HydrophobicContact CB-CG 4.21Å; E86-E89 PolarHBondContact N-OE2 2.94Å; E86-E89 WeakPolarHBondContact O-CB 3.44Å; E86-E89 PolarHBondContact O-N 3.44Å
87	A	32.8	Very low	43.6	Very low	87 Å²	87	71 Å²	71	72%	0.719	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-57.6	-16.7	-176.2	0	0	0	0	0	113.8	M90	A87-M90 WeakPolarHBondContact O-CE 3.12Å
88	K	42.7	Very low	44.1	Very low	152 Å²	152	76.4 Å²	76.4	66%	0.661	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-81.8	-10.3	175.5	-67.8	-175.9	175.7	-178.2	0	114.1	E86 M90	E86-K88 PolarHBondContact O-N 3.19Å; K88-M90 VanDerWaalsContact C-N 3.3Å; K88-M90 PolarHBondContact O-N 3.46Å
89	E	48	Very low	44.5	Very low	37 Å²	37	71.5 Å²	71.5	17%	0.173	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-89.9	7.1	-177.8	-61.7	176.9	131	0	0	113	P84 V85 E86 E91 F92 M93	P84-E89 VanDerWaalsContact CA-OE2 3.26Å; P84-E89 WeakPolarHBondContact CA-OE2 3.05Å; P84-E89 VanDerWaalsContact CB-CD 3.49Å; P84-E89 WeakPolarHBondContact CB-OE1 3.33Å; P84-E89 WeakPolarHBondContact CB-OE2 3.12Å; P84-E89 WeakPolarHBondContact CD-OE1 2.92Å; P84-E89 WeakPolarHBondContact CG-OE1 3.23Å; V85-E89 PolarHBondContact N-OE2 3.42Å; E86-E89 HydrophobicContact CB-CG 4.21Å; E86-E89 PolarHBondContact N-OE2 2.94Å; E86-E89 WeakPolarHBondContact O-CB 3.44Å; E86-E89 PolarHBondContact O-N 3.44Å; E89-E91 VanDerWaalsContact C-N 3.32Å; E89-E91 PolarHBondContact O-N 3.11Å; E89-F92 HydrophobicContact CB-CB 4.34Å; E89-F92 CarbonylContact O-C 2.79Å; E89-F92 WeakPolarHBondContact O-CA 3.2Å; E89-F92 WeakPolarHBondContact O-CB 3.29Å; E89-F92 PolarHBondContact O-N 2.83Å; E89-F92 VanDerWaalsContact O-N 3.15Å; E89-M93 VanDerWaalsContact O-CG 3.26Å; E89-M93 WeakPolarHBondContact O-CG 3.23Å; E89-M93 PolarHBondContact O-N 3.37Å
90	M	44.7	Very low	44.8	Very low	106 Å²	106	68 Å²	68	52%	0.522	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-39.3	172.7	-79.2	-170.3	-74.2	0	0	112.2	A87 K88 F92 M93 E94	A87-M90 WeakPolarHBondContact O-CE 3.12Å; K88-M90 VanDerWaalsContact C-N 3.3Å; K88-M90 PolarHBondContact O-N 3.46Å; M90-F92 VanDerWaalsContact C-N 3.26Å; M90-F92 PolarHBondContact O-N 3.46Å; M90-M93 PolarHBondContact O-N 3.35Å; M90-E94 PolarHBondContact O-N 3.19Å
91	E	50.2	Low	44.9	Very low	158 Å²	158	70.8 Å²	70.8	74%	0.738	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-36.4	173.8	-65.7	-170.8	163.3	0	0	111.2	E89 E94 Y95	E89-E91 VanDerWaalsContact C-N 3.32Å; E89-E91 PolarHBondContact O-N 3.11Å; E91-E94 PolarHBondContact O-N 3.28Å; E91-Y95 VanDerWaalsContact O-CB 3.31Å; E91-Y95 WeakPolarHBondContact O-CB 3.41Å; E91-Y95 PolarHBondContact O-N 2.9Å
92	F	47.5	Very low	45	Very low	15 Å²	15	75 Å²	75	7%	0.066	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-41.4	176.5	-173.7	-99.2	0	0	0	112	I60 I83 E89 M90 Y95 I96	I60-F92 HydrophobicContact CD1-CD1 4.35Å; I60-F92 HydrophobicContact CD1-CE1 3.31Å; I60-F92 HydrophobicContact CD1-CE2 3.66Å; I60-F92 HydrophobicContact CD1-CZ 2.92Å; I60-F92 HydrophobicContact CG1-CZ 4.4Å; I83-F92 HydrophobicContact CG1-CE1 4.45Å; I83-F92 HydrophobicContact CG2-CD1 3.93Å; I83-F92 HydrophobicContact CG2-CE1 4.4Å; E89-F92 HydrophobicContact CB-CB 4.34Å; E89-F92 CarbonylContact O-C 2.79Å; E89-F92 WeakPolarHBondContact O-CA 3.2Å; E89-F92 WeakPolarHBondContact O-CB 3.29Å; E89-F92 PolarHBondContact O-N 2.83Å; E89-F92 VanDerWaalsContact O-N 3.15Å; M90-F92 VanDerWaalsContact C-N 3.26Å; M90-F92 PolarHBondContact O-N 3.46Å; F92-Y95 PolarHBondContact O-N 3.5Å; F92-I96 HydrophobicContact CD1-CG1 4.03Å; F92-I96 HydrophobicContact CD2-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CD1 4.03Å; F92-I96 HydrophobicContact CE1-CG1 3.45Å; F92-I96 VanDerWaalsContact CE1-CG1 3.45Å; F92-I96 HydrophobicContact CE2-CD1 3.98Å; F92-I96 HydrophobicContact CE2-CG1 3.92Å; F92-I96 HydrophobicContact CG-CG1 4.45Å; F92-I96 HydrophobicContact CZ-CD1 3.42Å; F92-I96 VanDerWaalsContact CZ-CD1 3.42Å; F92-I96 HydrophobicContact CZ-CG1 3.33Å; F92-I96 WeakPolarHBondContact O-CB 3.24Å; F92-I96 WeakPolarHBondContact O-CG1 3.18Å; F92-I96 PolarHBondContact O-N 2.87Å
93	M	48	Very low	45.2	Very low	12 Å²	12	70.2 Å²	70.2	6%	0.059	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-47.8	172	-69.1	-90.1	-77.6	0	0	111.2	I83 E89 M90 I96 L97 I106 A110 A114 I117	I83-M93 HydrophobicContact CB-CG 4.39Å; I83-M93 HydrophobicContact CB-SD 3.46Å; I83-M93 WeakPolarHBondContact CB-SD 3.49Å; I83-M93 HydrophobicContact CD1-CB 4.44Å; I83-M93 HydrophobicContact CD1-CE 4.49Å; I83-M93 HydrophobicContact CD1-CG 4.09Å; I83-M93 HydrophobicContact CD1-SD 3.1Å; I83-M93 WeakPolarHBondContact CD1-SD 3.33Å; I83-M93 HydrophobicContact CG1-SD 3.79Å; I83-M93 HydrophobicContact CG2-CG 3.55Å; I83-M93 HydrophobicContact CG2-SD 3.26Å; I83-M93 WeakPolarHBondContact CG2-SD 3.25Å; E89-M93 VanDerWaalsContact O-CG 3.26Å; E89-M93 WeakPolarHBondContact O-CG 3.23Å; E89-M93 PolarHBondContact O-N 3.37Å; M90-M93 PolarHBondContact O-N 3.35Å; M93-I96 PolarHBondContact O-N 2.92Å; M93-L97 VanDerWaalsContact O-CB 3.24Å; M93-L97 WeakPolarHBondContact O-CB 3.22Å; M93-L97 WeakPolarHBondContact O-CD1 3.1Å; M93-L97 WeakPolarHBondContact O-CG 3.38Å; M93-L97 PolarHBondContact O-N 2.87Å; M93-I106 HydrophobicContact CE-CG2 4.4Å; M93-A110 HydrophobicContact CE-CB 4.26Å; M93-A114 HydrophobicContact CE-CB 3.45Å; M93-A114 VanDerWaalsContact CE-CB 3.45Å; M93-I117 HydrophobicContact CB-CD1 4.4Å
94	E	51.1	Low	44.9	Very low	84 Å²	84	74.7 Å²	74.7	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-43.1	175.8	-80.5	-161.2	-167.2	0	0	112.3	M90 E91 L97 K98 I117	M90-E94 PolarHBondContact O-N 3.19Å; E91-E94 PolarHBondContact O-N 3.28Å; E94-L97 PolarHBondContact O-N 2.87Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CD 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 IonicContact OE2-NZ 2.79Å; E94-K98 PolarHBondContact OE2-NZ 2.97Å; E94-I117 HydrophobicContact CG-CD1 4.29Å; E94-I117 HydrophobicContact CG-CG2 4.13Å
95	Y	49.8	Very low	44.8	Very low	113 Å²	113	76.3 Å²	76.3	44%	0.443	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-50.9	177.6	178	-100.1	0	0	0	110.8	T73 E91 F92 L97 K98 Q99	T73-Y95 HydrophobicContact CG2-CE1 4.48Å; E91-Y95 VanDerWaalsContact O-CB 3.31Å; E91-Y95 WeakPolarHBondContact O-CB 3.41Å; E91-Y95 PolarHBondContact O-N 2.9Å; F92-Y95 PolarHBondContact O-N 3.5Å; Y95-L97 PolarHBondContact O-N 3.33Å; Y95-K98 PolarHBondContact O-N 2.95Å; Y95-Q99 HydrophobicContact CD1-CG 4.46Å; Y95-Q99 HydrophobicContact CD2-CG 4.34Å; Y95-Q99 HydrophobicContact CE1-CG 4.18Å; Y95-Q99 HydrophobicContact CE2-CG 4.05Å; Y95-Q99 WeakPolarHBondContact O-CB 3.26Å; Y95-Q99 VanDerWaalsContact O-CG 3.23Å; Y95-Q99 WeakPolarHBondContact O-CG 3.22Å; Y95-Q99 PolarHBondContact O-N 3.16Å
96	I	48.1	Very low	44.8	Very low	2 Å²	2	75.4 Å²	75.4	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-42.3	179.6	-68.5	-65.6	0	0	0	111.7	T73 V80 I83 F92 M93 K98 Q99 T100 V103	T73-I96 HydrophobicContact CG2-CD1 3.87Å; V80-I96 HydrophobicContact CB-CG2 3.53Å; V80-I96 HydrophobicContact CG1-CD1 4.26Å; V80-I96 HydrophobicContact CG1-CG1 4.47Å; V80-I96 HydrophobicContact CG1-CG2 3.56Å; V80-I96 HydrophobicContact CG2-CD1 3.84Å; V80-I96 HydrophobicContact CG2-CG2 3.81Å; I83-I96 HydrophobicContact CD1-CB 4.41Å; I83-I96 HydrophobicContact CD1-CG2 4.11Å; F92-I96 HydrophobicContact CD1-CG1 4.03Å; F92-I96 HydrophobicContact CD2-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CD1 4.03Å; F92-I96 HydrophobicContact CE1-CG1 3.45Å; F92-I96 VanDerWaalsContact CE1-CG1 3.45Å; F92-I96 HydrophobicContact CE2-CD1 3.98Å; F92-I96 HydrophobicContact CE2-CG1 3.92Å; F92-I96 HydrophobicContact CG-CG1 4.45Å; F92-I96 HydrophobicContact CZ-CD1 3.42Å; F92-I96 VanDerWaalsContact CZ-CD1 3.42Å; F92-I96 HydrophobicContact CZ-CG1 3.33Å; F92-I96 WeakPolarHBondContact O-CB 3.24Å; F92-I96 WeakPolarHBondContact O-CG1 3.18Å; F92-I96 PolarHBondContact O-N 2.87Å; M93-I96 PolarHBondContact O-N 2.92Å; I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.13Å; I96-Q99 PolarHBondContact O-N 3.41Å; I96-T100 HydrophobicContact CG2-CG2 4.38Å; I96-T100 VanDerWaalsContact O-CB 3.32Å; I96-T100 WeakPolarHBondContact O-CB 3.5Å; I96-T100 WeakPolarHBondContact O-CG2 3.44Å; I96-T100 PolarHBondContact O-N 2.74Å; I96-T100 PolarHBondContact O-OG1 3.33Å; I96-V103 HydrophobicContact CG2-CG2 3.81Å
97	L	48.8	Very low	44.6	Very low	19 Å²	19	70.9 Å²	70.9	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-68.2	-29.7	178.5	-73.1	166.1	0	0	0	112.5	M93 E94 Y95 V103 I117 Y118	M93-L97 VanDerWaalsContact O-CB 3.24Å; M93-L97 WeakPolarHBondContact O-CB 3.22Å; M93-L97 WeakPolarHBondContact O-CD1 3.1Å; M93-L97 WeakPolarHBondContact O-CG 3.38Å; M93-L97 PolarHBondContact O-N 2.87Å; E94-L97 PolarHBondContact O-N 2.87Å; Y95-L97 PolarHBondContact O-N 3.33Å; L97-V103 HydrophobicContact CD2-CB 4.14Å; L97-V103 HydrophobicContact CD2-CG2 3.48Å; L97-V103 VanDerWaalsContact CD2-CG2 3.48Å; L97-V103 HydrophobicContact CG-CG2 4.19Å; L97-I117 HydrophobicContact CB-CG2 4.4Å; L97-I117 HydrophobicContact CD1-CB 3.79Å; L97-I117 HydrophobicContact CD1-CG2 3.47Å; L97-I117 VanDerWaalsContact CD1-CG2 3.47Å; L97-Y118 HydrophobicContact CD2-CD2 4.33Å
98	K	52.5	Low	44.8	Very low	129 Å²	129	73.9 Å²	73.9	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-75.1	-33.6	172.6	-74.5	167.8	-172	156.1	0	112.6	E94 Y95 I96	E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CD 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.06Å; E94-K98 IonicContact OE2-NZ 2.79Å; E94-K98 PolarHBondContact OE2-NZ 2.97Å; Y95-K98 PolarHBondContact O-N 2.95Å; I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.13Å
99	Q	47	Very low	44.8	Very low	117 Å²	117	73.8 Å²	73.8	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-90.7	-18	-176.6	-64.3	-58	-52.7	0	0	113.5	Y95 I96	Y95-Q99 HydrophobicContact CD1-CG 4.46Å; Y95-Q99 HydrophobicContact CD2-CG 4.34Å; Y95-Q99 HydrophobicContact CE1-CG 4.18Å; Y95-Q99 HydrophobicContact CE2-CG 4.05Å; Y95-Q99 WeakPolarHBondContact O-CB 3.26Å; Y95-Q99 VanDerWaalsContact O-CG 3.23Å; Y95-Q99 WeakPolarHBondContact O-CG 3.22Å; Y95-Q99 PolarHBondContact O-N 3.16Å; I96-Q99 PolarHBondContact O-N 3.41Å
100	T	44.8	Very low	44.5	Very low	11 Å²	11	72.7 Å²	72.7	7%	0.067	37%	0.367	C	S	.	.			trans	-126.2	131.5	-172.9	73.1	0	0	0	0	112.2	T77 V80 I96 R102 V103	T77-T100 WeakPolarHBondContact O-CG2 3.01Å; V80-T100 HydrophobicContact CB-CG2 4.34Å; V80-T100 HydrophobicContact CG2-CG2 3.61Å; I96-T100 HydrophobicContact CG2-CG2 4.38Å; I96-T100 VanDerWaalsContact O-CB 3.32Å; I96-T100 WeakPolarHBondContact O-CB 3.5Å; I96-T100 WeakPolarHBondContact O-CG2 3.44Å; I96-T100 PolarHBondContact O-N 2.74Å; I96-T100 PolarHBondContact O-OG1 3.33Å; T100-R102 PolarHBondContact O-N 2.64Å; T100-V103 WeakPolarHBondContact OG1-CG2 3.23Å
101	G	42.6	Very low	44.2	Very low	64 Å²	64	70.6 Å²	70.6	66%	0.66	36%	0.36	S	S	*	.	S	Bend	trans	-75.4	-8.5	177.2	0	0	0	0	0	114.2
102	R	41.9	Very low	43.8	Very low	138 Å²	138	71.3 Å²	71.3	52%	0.521	36%	0.363	S	S	.	.			trans	-151.6	122.4	178.8	-61.4	-171.2	-175.6	-178.9	-1	111.5	R79 V80 T100 Y104	R79-R102 WeakPolarHBondContact CA-O 3.18Å; R79-R102 HydrophobicContact CG-CB 4.45Å; V80-R102 PolarHBondContact N-O 3.42Å; T100-R102 PolarHBondContact O-N 2.64Å; R102-Y104 HydrophobicContact CB-CD2 4.42Å; R102-Y104 HydrophobicContact CB-CE2 3.69Å; R102-Y104 WeakPolarHBondContact CD-OH 3.04Å
103	V	41.4	Very low	43.9	Very low	28 Å²	28	77.4 Å²	77.4	17%	0.17	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-109.4	133	171.3	-178.7	0	0	0	0	109.1	V80 I83 I96 L97 T100 I106	V80-V103 CarbonylContact O-C 3.54Å; V80-V103 VanDerWaalsContact O-CA 3.29Å; V80-V103 WeakPolarHBondContact O-CA 3.22Å; I83-V103 HydrophobicContact CD1-CG1 3.87Å; I96-V103 HydrophobicContact CG2-CG2 3.81Å; L97-V103 HydrophobicContact CD2-CB 4.14Å; L97-V103 HydrophobicContact CD2-CG2 3.48Å; L97-V103 VanDerWaalsContact CD2-CG2 3.48Å; L97-V103 HydrophobicContact CG-CG2 4.19Å; T100-V103 WeakPolarHBondContact OG1-CG2 3.23Å; V103-I106 HydrophobicContact CG1-CD1 4.32Å; V103-I106 HydrophobicContact CG1-CG1 4.03Å
104	Y	38.7	Very low	43.7	Very low	95 Å²	95	76.9 Å²	76.9	37%	0.373	39%	0.388	S	S	.	.			trans	-122.1	154.4	174.5	-64.9	-83.5	0	0	0	108.7	V80 Y81 R82 R102	V80-Y104 PolarHBondContact O-N 2.85Å; Y81-Y104 CarbonylContact C-O 3.52Å; Y81-Y104 WeakPolarHBondContact CA-O 3.47Å; Y81-Y104 AromaticContact CD1-CD2 3.86Å; Y81-Y104 HydrophobicContact CD1-CD2 3.86Å; Y81-Y104 AromaticContact CD1-CG 3.87Å; Y81-Y104 HydrophobicContact CD1-CG 3.87Å; Y81-Y104 AromaticContact CE1-CD2 3.36Å; Y81-Y104 HydrophobicContact CE1-CD2 3.36Å; Y81-Y104 HydrophobicContact CE1-CE2 4.12Å; Y81-Y104 AromaticContact CE1-CG 3.65Å; Y81-Y104 HydrophobicContact CE1-CG 3.65Å; Y81-Y104 AromaticContact CZ-CD2 3.76Å; Y81-Y104 CarbonylContact O-C 3.48Å; R82-Y104 PolarHBondContact N-O 3.01Å; R102-Y104 HydrophobicContact CB-CD2 4.42Å; R102-Y104 HydrophobicContact CB-CE2 3.69Å; R102-Y104 WeakPolarHBondContact CD-OH 3.04Å
105	G	38	Very low	43.3	Very low	44 Å²	44	81 Å²	81	45%	0.454	40%	0.401	S	S	.	.			trans	72	46.2	175.4	0	0	0	0	0	114.5	Y81 R82 P107	Y81-G105 WeakPolarHBondContact O-CA 3.4Å; R82-G105 WeakPolarHBondContact CA-O 3.46Å; R82-G105 WeakPolarHBondContact CG-O 3.41Å; G105-P107 WeakPolarHBondContact O-CD 3.32Å
106	I	40.6	Very low	43.2	Very low	50 Å²	50	77.4 Å²	77.4	26%	0.256	40%	0.398	S	S	.	.			trans	-77.1	124.2	166.5	-61.9	152.7	0	0	0	107.2	M93 V103 A110 A114	M93-I106 HydrophobicContact CE-CG2 4.4Å; V103-I106 HydrophobicContact CG1-CD1 4.32Å; V103-I106 HydrophobicContact CG1-CG1 4.03Å; I106-A110 VanDerWaalsContact CG2-C 3.46Å; I106-A110 HydrophobicContact CG2-CB 3.67Å; I106-A114 HydrophobicContact CD1-CB 3.5Å; I106-A114 HydrophobicContact CG1-CB 4.07Å; I106-A114 HydrophobicContact CG2-CB 3.79Å
107	P	38.4	Very low	43.2	Very low	27 Å²	27	78.9 Å²	78.9	18%	0.175	41%	0.405	C	S	.	.			trans	-56.6	144.8	173.6	-27.7	39.1	0	0	0	110.7	I83 V85 G105 E109 A110 T111	I83-P107 WeakPolarHBondContact O-CD 3.41Å; I83-P107 WeakPolarHBondContact O-CG 3.26Å; V85-P107 HydrophobicContact CG2-CB 3.11Å; V85-P107 HydrophobicContact CG2-CG 3.25Å; G105-P107 WeakPolarHBondContact O-CD 3.32Å; P107-E109 PolarHBondContact O-N 3.27Å; P107-A110 WeakPolarHBondContact O-CA 3.4Å; P107-A110 PolarHBondContact O-N 3.28Å; P107-T111 PolarHBondContact O-N 3.18Å; P107-T111 PolarHBondContact O-OG1 2.93Å
108	I	36.2	Very low	43	Very low	151 Å²	151	83.5 Å²	83.5	77%	0.774	42%	0.422	S	S	*	.	H	α-helix	trans	-55.2	-35.9	-169.6	-162.1	165.2	0	0	0	112.4	A110 T111	I108-A110 VanDerWaalsContact C-N 3.28Å; I108-A110 PolarHBondContact O-N 2.7Å; I108-T111 WeakPolarHBondContact CA-OG1 3.41Å; I108-T111 WeakPolarHBondContact O-CB 3.44Å; I108-T111 PolarHBondContact O-N 2.71Å; I108-T111 PolarHBondContact O-OG1 3.48Å
109	E	42.2	Very low	42.7	Very low	149 Å²	149	79.2 Å²	79.2	70%	0.696	41%	0.409	S	S	*	.	H	α-helix	trans	-66.1	-24.3	177.3	-64.3	156	177.3	0	0	113.7	V85 P107	V85-E109 HydrophobicContact CG1-CB 4.24Å; P107-E109 PolarHBondContact O-N 3.27Å
110	A	42.2	Very low	43	Very low	14 Å²	14	76.6 Å²	76.6	12%	0.116	41%	0.407	C	S	.	.	H	α-helix	trans	-98.3	-6.1	177.5	0	0	0	0	0	113	M93 I106 P107 I108 K113 A114	M93-A110 HydrophobicContact CE-CB 4.26Å; I106-A110 VanDerWaalsContact CG2-C 3.46Å; I106-A110 HydrophobicContact CG2-CB 3.67Å; P107-A110 WeakPolarHBondContact O-CA 3.4Å; P107-A110 PolarHBondContact O-N 3.28Å; I108-A110 VanDerWaalsContact C-N 3.28Å; I108-A110 PolarHBondContact O-N 2.7Å; A110-K113 PolarHBondContact O-N 2.86Å; A110-A114 VanDerWaalsContact O-CB 3.25Å; A110-A114 WeakPolarHBondContact O-CB 3.22Å; A110-A114 PolarHBondContact O-N 3.29Å
111	T	38.9	Very low	43.1	Very low	62 Å²	62	78.6 Å²	78.6	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-45.8	-171.7	-34.5	0	0	0	0	113.2	P107 I108 K113 A114 Y115	P107-T111 PolarHBondContact O-N 3.18Å; P107-T111 PolarHBondContact O-OG1 2.93Å; I108-T111 WeakPolarHBondContact CA-OG1 3.41Å; I108-T111 WeakPolarHBondContact O-CB 3.44Å; I108-T111 PolarHBondContact O-N 2.71Å; I108-T111 PolarHBondContact O-OG1 3.48Å; T111-K113 VanDerWaalsContact C-N 3.31Å; T111-K113 PolarHBondContact O-N 2.97Å; T111-A114 PolarHBondContact O-N 3.47Å; T111-Y115 WeakPolarHBondContact O-CB 3.35Å; T111-Y115 PolarHBondContact O-N 3.48Å
112	E	41.8	Very low	43.1	Very low	174 Å²	174	79.7 Å²	79.7	81%	0.813	41%	0.41	S	S	*	.	H	α-helix	trans	-62.6	-40.7	179.8	-66.5	-171.8	149.3	0	0	111.4	G116	E112-G116 PolarHBondContact O-N 3.45Å; E112-G116 VanDerWaalsContact O-N 3.11Å
113	K	48.2	Very low	43.3	Very low	142 Å²	142	81.6 Å²	81.6	62%	0.617	42%	0.422	S	S	*	.	H	α-helix	trans	-73.6	-40.8	179.6	-66.3	-178.5	-178.1	176.4	0	112	A110 T111 Y115 G116 I117	A110-K113 PolarHBondContact O-N 2.86Å; T111-K113 VanDerWaalsContact C-N 3.31Å; T111-K113 PolarHBondContact O-N 2.97Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 PolarHBondContact O-N 3.25Å; K113-G116 PolarHBondContact O-N 2.95Å; K113-I117 WeakPolarHBondContact O-CG1 3.45Å; K113-I117 PolarHBondContact O-N 2.81Å
114	A	44.3	Very low	43.4	Very low	2 Å²	2	89.8 Å²	89.8	2%	0.017	46%	0.455	C	S	.	.	H	α-helix	trans	-61.2	-40.4	174.6	0	0	0	0	0	112.2	M93 I106 A110 T111 G116 I117 Y118	M93-A114 HydrophobicContact CE-CB 3.45Å; M93-A114 VanDerWaalsContact CE-CB 3.45Å; I106-A114 HydrophobicContact CD1-CB 3.5Å; I106-A114 HydrophobicContact CG1-CB 4.07Å; I106-A114 HydrophobicContact CG2-CB 3.79Å; A110-A114 VanDerWaalsContact O-CB 3.25Å; A110-A114 WeakPolarHBondContact O-CB 3.22Å; A110-A114 PolarHBondContact O-N 3.29Å; T111-A114 PolarHBondContact O-N 3.47Å; A114-G116 VanDerWaalsContact C-N 3.34Å; A114-I117 PolarHBondContact O-N 2.82Å; A114-Y118 VanDerWaalsContact O-CB 3.3Å; A114-Y118 WeakPolarHBondContact O-CB 3.34Å; A114-Y118 PolarHBondContact O-N 3.35Å
115	Y	42.9	Very low	43.1	Very low	171 Å²	171	88.5 Å²	88.5	67%	0.671	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-39.3	175.4	-169.5	-99.1	0	0	0	111.5	T111 K113 S119	T111-Y115 WeakPolarHBondContact O-CB 3.35Å; T111-Y115 PolarHBondContact O-N 3.48Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 PolarHBondContact O-N 3.25Å; Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.48Å; Y115-S119 PolarHBondContact O-N 3.16Å; Y115-S119 PolarHBondContact O-OG 2.89Å
116	G	47.5	Very low	42.7	Very low	36 Å²	36	97.8 Å²	97.8	37%	0.371	51%	0.509	S	S	.	.	H	α-helix	trans	-56.7	-48.8	170.7	0	0	0	0	0	112.9	E112 K113 A114 S119 A120	E112-G116 PolarHBondContact O-N 3.45Å; E112-G116 VanDerWaalsContact O-N 3.11Å; K113-G116 PolarHBondContact O-N 2.95Å; A114-G116 VanDerWaalsContact C-N 3.34Å; G116-S119 PolarHBondContact O-OG 3.02Å; G116-A120 WeakPolarHBondContact O-CB 3.44Å; G116-A120 PolarHBondContact O-N 3.09Å
117	I	48.9	Very low	42.9	Very low	34 Å²	34	100.2 Å²	100.2	17%	0.174	52%	0.521	C	S	.	.	H	α-helix	trans	-67.1	-47.8	179.3	-61.2	165.4	0	0	0	110.9	M93 E94 L97 K113 A114 S119 A120 T121	M93-I117 HydrophobicContact CB-CD1 4.4Å; E94-I117 HydrophobicContact CG-CD1 4.29Å; E94-I117 HydrophobicContact CG-CG2 4.13Å; L97-I117 HydrophobicContact CB-CG2 4.4Å; L97-I117 HydrophobicContact CD1-CB 3.79Å; L97-I117 HydrophobicContact CD1-CG2 3.47Å; L97-I117 VanDerWaalsContact CD1-CG2 3.47Å; K113-I117 WeakPolarHBondContact O-CG1 3.45Å; K113-I117 PolarHBondContact O-N 2.81Å; A114-I117 PolarHBondContact O-N 2.82Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 3.37Å; I117-A120 PolarHBondContact O-N 3.06Å; I117-A120 VanDerWaalsContact O-N 3.16Å; I117-T121 HydrophobicContact CG2-CG2 4.32Å; I117-T121 WeakPolarHBondContact O-CG2 3.4Å; I117-T121 PolarHBondContact O-N 3.06Å; I117-T121 PolarHBondContact O-OG1 3.25Å; I117-T121 VanDerWaalsContact O-OG1 3.09Å
118	Y	44.6	Very low	43.1	Very low	115 Å²	115	104.1 Å²	104.1	45%	0.451	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-40.7	179	179.1	-93.5	0	0	0	112.7	L97 A114 T121 N122	L97-Y118 HydrophobicContact CD2-CD2 4.33Å; A114-Y118 VanDerWaalsContact O-CB 3.3Å; A114-Y118 WeakPolarHBondContact O-CB 3.34Å; A114-Y118 PolarHBondContact O-N 3.35Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.42Å; Y118-T121 PolarHBondContact O-OG1 3.13Å; Y118-N122 VanDerWaalsContact CD2-ND2 3.3Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.25Å; Y118-N122 VanDerWaalsContact CE1-ND2 3.3Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.26Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.4Å; Y118-N122 WeakPolarHBondContact O-CB 3.07Å; Y118-N122 PolarHBondContact O-N 2.89Å; Y118-N122 PolarHBondContact O-ND2 2.71Å
119	S	45.8	Very low	43.5	Very low	40 Å²	40	101.4 Å²	101.4	28%	0.28	53%	0.527	S	S	.	.	H	α-helix	trans	-70	-35.5	177.1	67	0	0	0	0	112.1	Y115 G116 I117 K123	Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.48Å; Y115-S119 PolarHBondContact O-N 3.16Å; Y115-S119 PolarHBondContact O-OG 2.89Å; G116-S119 PolarHBondContact O-OG 3.02Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 3.37Å; S119-K123 VanDerWaalsContact O-CB 3.26Å; S119-K123 WeakPolarHBondContact O-CB 3.3Å; S119-K123 VanDerWaalsContact O-CG 3.25Å; S119-K123 WeakPolarHBondContact O-CG 3.3Å; S119-K123 PolarHBondContact O-N 2.9Å
120	A	52.3	Low	43.5	Very low	62 Å²	62	98.6 Å²	98.6	51%	0.512	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-36.9	174.7	0	0	0	0	0	112.8	G116 I117	G116-A120 WeakPolarHBondContact O-CB 3.44Å; G116-A120 PolarHBondContact O-N 3.09Å; I117-A120 PolarHBondContact O-N 3.06Å; I117-A120 VanDerWaalsContact O-N 3.16Å
121	T	46.9	Very low	43.6	Very low	52 Å²	52	103.9 Å²	103.9	32%	0.319	54%	0.542	S	S	.	.	H	α-helix	trans	-74.5	-35.1	178.1	52	0	0	0	0	112.6	I117 Y118	I117-T121 HydrophobicContact CG2-CG2 4.32Å; I117-T121 WeakPolarHBondContact O-CG2 3.4Å; I117-T121 PolarHBondContact O-N 3.06Å; I117-T121 PolarHBondContact O-OG1 3.25Å; I117-T121 VanDerWaalsContact O-OG1 3.09Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.42Å; Y118-T121 PolarHBondContact O-OG1 3.13Å
122	N	43.8	Very low	43.9	Very low	87 Å²	87	106.7 Å²	106.7	47%	0.465	55%	0.552	S	S	.	*	H	α-helix	trans	-87	-17.4	179.5	-71	-59.6	0	0	0	114.6	Y118 K124	Y118-N122 VanDerWaalsContact CD2-ND2 3.3Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.25Å; Y118-N122 VanDerWaalsContact CE1-ND2 3.3Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.26Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.4Å; Y118-N122 WeakPolarHBondContact O-CB 3.07Å; Y118-N122 PolarHBondContact O-N 2.89Å; Y118-N122 PolarHBondContact O-ND2 2.71Å; N122-K124 PolarHBondContact O-N 3.3Å
123	K	45.8	Very low	44.1	Very low	178 Å²	178	101.9 Å²	101.9	77%	0.774	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.1	174.1	-86.2	-178.5	176.6	-178.2	0	114.5	S119	S119-K123 VanDerWaalsContact O-CB 3.26Å; S119-K123 WeakPolarHBondContact O-CB 3.3Å; S119-K123 VanDerWaalsContact O-CG 3.25Å; S119-K123 WeakPolarHBondContact O-CG 3.3Å; S119-K123 PolarHBondContact O-N 2.9Å
124	K	42.9	Very low	43.8	Very low	201 Å²	201	98.8 Å²	98.8	87%	0.874	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	14.3	175.3	-82.1	-170.8	173.4	-177.2	0	114.3	N122	N122-K124 PolarHBondContact O-N 3.3Å
125	G	32	Very low	43.8	Very low	67 Å²	67	106.9 Å²	106.9	69%	0.691	57%	0.57	S	S	*	*			trans	-133.2	22.1	-171.8	0	0	0	0	0	117.3
126	L	31.6	Very low	43.8	Very low	240 Å²	240	101.1 Å²	101.1	100%	1.257	56%	0.561	S	S	*	*			trans	-110.3	0	166.4	-89.7	163.8	0	0	0	110

Retrieved 126 of 126 residues in 553.5 ms (Link to these results)

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