A0A077ZAZ9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077ZAZ9_TRITR|A0A077ZAZ9
MSLANVVGRRRLKCVVQRRFRWYIGEQPEARPVYHSVKCRAAVTAAGVKVDVKNLRNLAPFHSPSPRRPFAFAGHVSRQPGGFPCPNFGPDGRLKVADFCVNTIMYCLLFIRAIKGLPAGMSPTTLYF
					

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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	31.2	Very low	38.2	Very low	222 Å²	222	126.4 Å²	126.4	100%	1.094	63%	0.628	S	S	*	*				0	126.6	0	-68.4	178.4	-169	0	0	108.4
2	S	37.2	Very low	38.5	Very low	67 Å²	67	122.3 Å²	122.3	47%	0.469	61%	0.609	S	S	.	*			trans	-74.8	148.3	-176	95.4	0	0	0	0	111.6	A4 N5 V6	S2-A4 PolarHBondContact O-N 3.16Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 3.49Å; S2-N5 WeakPolarHBondContact O-CA 3.35Å; S2-N5 WeakPolarHBondContact O-CB 3.46Å; S2-N5 PolarHBondContact O-N 3.47Å; S2-V6 PolarHBondContact O-N 2.82Å
3	L	36.9	Very low	39	Very low	83 Å²	83	125.3 Å²	125.3	44%	0.435	62%	0.616	S	S	.	*	H	α-helix	trans	-56	-32	179.2	-156.6	87.1	0	0	0	112	N5 V6 V7 L117	L3-N5 PolarHBondContact O-N 2.94Å; L3-V6 PolarHBondContact O-N 2.78Å; L3-V7 HydrophobicContact CG-CG2 4.47Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.5Å; L3-L117 HydrophobicContact CD1-CD2 3.56Å
4	A	37.6	Very low	39.2	Very low	56 Å²	56	118.3 Å²	118.3	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-62.9	-29.2	173.6	0	0	0	0	0	112.3	S2 G8	S2-A4 PolarHBondContact O-N 3.16Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 3.49Å; A4-G8 WeakPolarHBondContact O-CA 2.9Å; A4-G8 PolarHBondContact O-N 3.36Å
5	N	33	Very low	39.7	Very low	131 Å²	131	115.8 Å²	115.8	70%	0.701	58%	0.579	S	S	*	*	H	α-helix	trans	-75.7	-32.3	174.4	-81.9	-13.6	0	0	0	113	S2 L3	S2-N5 WeakPolarHBondContact O-CA 3.35Å; S2-N5 WeakPolarHBondContact O-CB 3.46Å; S2-N5 PolarHBondContact O-N 3.47Å; L3-N5 PolarHBondContact O-N 2.94Å
6	V	38.9	Very low	40	Very low	103 Å²	103	109.9 Å²	109.9	62%	0.624	55%	0.551	S	S	*	*	H	α-helix	trans	-79.6	-36.1	177.9	-178	0	0	0	0	111.5	S2 L3	S2-V6 PolarHBondContact O-N 2.82Å; L3-V6 PolarHBondContact O-N 2.78Å
7	V	40.5	Very low	40.4	Very low	35 Å²	35	108.9 Å²	108.9	21%	0.212	54%	0.544	C	S	.	.	H	α-helix	trans	-84.9	-16.7	175.2	-175.6	0	0	0	0	111.7	L3 R9 R10 A45	L3-V7 HydrophobicContact CG-CG2 4.47Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.5Å; V7-R9 PolarHBondContact O-N 2.72Å; V7-R10 PolarHBondContact O-N 3.41Å; V7-A45 HydrophobicContact CG1-CB 4.39Å
8	G	37.2	Very low	40.5	Very low	45 Å²	45	107.7 Å²	107.7	46%	0.464	53%	0.532	S	S	.	.	S	Bend	trans	-59.6	-13.8	-163.6	0	0	0	0	0	117.4	A4	A4-G8 WeakPolarHBondContact O-CA 2.9Å; A4-G8 PolarHBondContact O-N 3.36Å
9	R	44.5	Very low	40.5	Very low	249 Å²	249	112.7 Å²	112.7	94%	0.94	54%	0.544	S	S	*	.	S	Bend	trans	-137.7	-9.6	175.8	-68.3	-170.6	179.8	-178	0.3	116.1	V7	V7-R9 PolarHBondContact O-N 2.72Å
10	R	40.6	Very low	40.9	Very low	207 Å²	207	108.9 Å²	108.9	78%	0.781	53%	0.525	S	S	*	.			trans	-110.5	99.3	-179.5	-63.4	-169.4	-166.1	-166.8	5.7	109	V7 L12	V7-R10 PolarHBondContact O-N 3.41Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.34Å
11	R	42.9	Very low	40.9	Very low	192 Å²	192	110 Å²	110	73%	0.725	52%	0.524	S	S	*	.			trans	-54.9	100.3	161.3	-72.5	-178.6	178.5	177.6	-0.6	107.1	K13	R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.22Å
12	L	41.9	Very low	41.6	Very low	77 Å²	77	101 Å²	101	40%	0.403	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	99.2	171.5	-84.7	155.3	0	0	0	106.1	R10 C14 V43	R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.34Å; L12-C14 PolarHBondContact O-N 2.94Å; L12-V43 HydrophobicContact CB-CB 4.45Å; L12-V43 PolarHBondContact O-N 2.89Å; L12-V43 VanDerWaalsContact O-N 3.07Å
13	K	45.4	Very low	41.7	Very low	162 Å²	162	103.6 Å²	103.6	70%	0.704	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	103.3	170.9	-68.6	-179.4	-178.5	174.3	0	106.8	R11	R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.22Å
14	C	41.4	Very low	41.7	Very low	27 Å²	27	104 Å²	104	18%	0.182	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117	167.4	-172.7	0	0	0	0	107.3	L12 A41	L12-C14 PolarHBondContact O-N 2.94Å; C14-A41 HydrophobicContact CB-CB 4.47Å; C14-A41 PolarHBondContact N-O 3.22Å; C14-A41 PolarHBondContact O-N 3.2Å
15	V	46.5	Very low	41.7	Very low	81 Å²	81	103.1 Å²	103.1	49%	0.491	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111	173.4	-178	0	0	0	0	107.1	R40	V15-R40 HydrophobicContact CG1-CG 4.09Å; V15-R40 HydrophobicContact CG2-CG 4.01Å
16	V	45.2	Very low	42.2	Very low	21 Å²	21	103.8 Å²	103.8	13%	0.127	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.7	173.3	-175	0	0	0	0	107.4	R18 C39 T103 I104 C107	V16-R18 HydrophobicContact CG1-CG 4.22Å; V16-C39 PolarHBondContact N-O 2.83Å; V16-C39 PolarHBondContact O-N 3.2Å; V16-C39 VanDerWaalsContact O-O 3.09Å; V16-T103 HydrophobicContact CG1-CG2 3.87Å; V16-I104 HydrophobicContact CG2-CG1 4.49Å; V16-C107 HydrophobicContact CG2-CB 4.22Å
17	Q	45.5	Very low	42.3	Very low	94 Å²	94	105.6 Å²	105.6	44%	0.439	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.5	169.8	174.9	168.6	-7.6	0	0	108	S36 K38	Q17-S36 PolarHBondContact NE2-OG 2.84Å; Q17-K38 HydrophobicContact CB-CG 4.21Å; Q17-K38 HydrophobicContact CG-CD 4.36Å; Q17-K38 HydrophobicContact CG-CG 3.87Å
18	R	43.7	Very low	42.6	Very low	87 Å²	87	110 Å²	110	33%	0.328	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.9	171.1	-81.2	-166.7	168.1	-165.4	-5.6	110.9	V16 F20 S36 V37 F83	V16-R18 HydrophobicContact CG1-CG 4.22Å; R18-F20 HydrophobicContact CB-CD2 4.48Å; R18-F20 HydrophobicContact CB-CE2 3.83Å; R18-F20 HydrophobicContact CB-CZ 4.02Å; R18-S36 WeakPolarHBondContact O-CA 3.46Å; R18-S36 PolarHBondContact O-OG 2.96Å; R18-V37 PolarHBondContact N-O 3.26Å; R18-V37 VanDerWaalsContact N-O 3.17Å; R18-V37 PolarHBondContact O-N 2.87Å; R18-F83 VanDerWaalsContact NH2-CZ 3.35Å
19	R	40.2	Very low	42.9	Very low	202 Å²	202	116.1 Å²	116.1	76%	0.762	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.8	166.9	-74.3	-178.8	174.2	174	-1.5	106.7
20	F	47.8	Very low	42.9	Very low	36 Å²	36	105.1 Å²	105.1	16%	0.158	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.7	176.7	-61.9	-94.5	0	0	0	108.4	R18 W22 Y34 H35 V37 F99	R18-F20 HydrophobicContact CB-CD2 4.48Å; R18-F20 HydrophobicContact CB-CE2 3.83Å; R18-F20 HydrophobicContact CB-CZ 4.02Å; F20-W22 HydrophobicContact CB-CZ2 4.25Å; F20-W22 HydrophobicContact CG-CZ2 4.4Å; F20-W22 AromaticContact CG-NE1 3.94Å; F20-Y34 WeakPolarHBondContact O-CA 3.47Å; F20-H35 PolarHBondContact N-O 3.35Å; F20-H35 PolarHBondContact O-N 3.07Å; F20-V37 HydrophobicContact CD2-CB 4.39Å; F20-V37 HydrophobicContact CD2-CG2 3.9Å; F20-V37 HydrophobicContact CE2-CB 3.79Å; F20-V37 HydrophobicContact CE2-CG2 3.67Å; F20-F99 AromaticContact CE1-CD1 3.68Å; F20-F99 HydrophobicContact CE1-CD1 3.68Å; F20-F99 AromaticContact CE1-CE1 3.21Å; F20-F99 HydrophobicContact CE1-CE1 3.21Å; F20-F99 HydrophobicContact CE1-CE2 4.34Å; F20-F99 HydrophobicContact CE1-CG 4.46Å; F20-F99 AromaticContact CE1-CZ 3.57Å; F20-F99 HydrophobicContact CE1-CZ 3.57Å; F20-F99 AromaticContact CZ-CD1 3.52Å; F20-F99 HydrophobicContact CZ-CD1 3.52Å; F20-F99 AromaticContact CZ-CE1 3.2Å; F20-F99 HydrophobicContact CZ-CE1 3.2Å; F20-F99 HydrophobicContact CZ-CZ 4.04Å
21	R	40.1	Very low	43	Very low	133 Å²	133	106 Å²	106	50%	0.502	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.7	171.3	-171.5	177.5	177.5	167.7	-0.8	106.9	Y23 P32 Y34	R21-Y23 HydrophobicContact CG-CE2 4.29Å; R21-Y23 PolarHBondContact NE-OH 3.4Å; R21-Y23 PolarHBondContact NH2-OH 2.89Å; R21-P32 HydrophobicContact CG-CB 3.45Å; R21-P32 VanDerWaalsContact CG-CB 3.45Å; R21-Y34 HydrophobicContact CB-CD1 4.09Å; R21-Y34 HydrophobicContact CB-CE1 3.76Å; R21-Y34 WeakPolarHBondContact CD-OH 3.28Å; R21-Y34 HydrophobicContact CG-CD1 4.2Å; R21-Y34 HydrophobicContact CG-CE1 3.57Å; R21-Y34 PolarHBondContact NE-OH 3.38Å
22	W	46.3	Very low	43.2	Very low	34 Å²	34	98.6 Å²	98.6	13%	0.129	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.4	-179.6	-49.2	71.5	0	0	0	109	F20 P32 V33 F88 L94	F20-W22 HydrophobicContact CB-CZ2 4.25Å; F20-W22 HydrophobicContact CG-CZ2 4.4Å; F20-W22 AromaticContact CG-NE1 3.94Å; W22-P32 CarbonylContact O-C 3.51Å; W22-P32 VanDerWaalsContact O-CA 3.29Å; W22-P32 WeakPolarHBondContact O-CA 3.39Å; W22-V33 PolarHBondContact N-O 3.24Å; W22-V33 PolarHBondContact O-N 3.35Å; W22-F88 HydrophobicContact CZ3-CE1 4.43Å; W22-F88 HydrophobicContact CZ3-CZ 4.21Å; W22-L94 HydrophobicContact CH2-CB 4.16Å; W22-L94 HydrophobicContact CH2-CD1 3.39Å; W22-L94 HydrophobicContact CH2-CD2 3.31Å; W22-L94 HydrophobicContact CH2-CG 3.75Å; W22-L94 HydrophobicContact CZ2-CD2 3.88Å; W22-L94 HydrophobicContact CZ3-CD1 3.65Å; W22-L94 HydrophobicContact CZ3-CD2 4.38Å; W22-L94 HydrophobicContact CZ3-CG 4.42Å
23	Y	39.7	Very low	43.1	Very low	120 Å²	120	97.3 Å²	97.3	47%	0.471	46%	0.46	S	S	.	.			trans	-104.8	122.4	172.9	-61.4	-96.3	0	0	0	106.8	R21 A30 P32	R21-Y23 HydrophobicContact CG-CE2 4.29Å; R21-Y23 PolarHBondContact NE-OH 3.4Å; R21-Y23 PolarHBondContact NH2-OH 2.89Å; Y23-A30 WeakPolarHBondContact CD1-O 3.46Å; Y23-P32 HydrophobicContact CE1-CB 4.47Å
24	I	36.7	Very low	43	Very low	92 Å²	92	95.7 Å²	95.7	47%	0.472	45%	0.451	S	S	.	.			trans	-92.3	109.8	176.6	-59.7	179.4	0	0	0	107.2	A30 V33 F70	I24-A30 VanDerWaalsContact O-CB 3.25Å; I24-A30 WeakPolarHBondContact O-CB 3.43Å; I24-V33 HydrophobicContact CD1-CB 4.39Å; I24-V33 HydrophobicContact CD1-CG2 3.65Å; I24-V33 HydrophobicContact CG1-CG2 4.19Å; I24-F70 HydrophobicContact CG2-CE1 4.34Å
25	G	38.2	Very low	43.3	Very low	37 Å²	37	97 Å²	97	38%	0.381	45%	0.454	S	S	.	.	S	Bend	trans	104.7	160.4	179.3	0	0	0	0	0	113.5	Q27	G25-Q27 PolarHBondContact O-N 3.17Å
26	E	43.9	Very low	43.3	Very low	145 Å²	145	95 Å²	95	68%	0.678	44%	0.444	S	S	*	.	S	Bend	trans	-72.6	-5.9	178.6	-63.6	-179.6	160.5	0	0	113	A71	E26-A71 WeakPolarHBondContact OE1-CB 3.33Å
27	Q	39.4	Very low	43.5	Very low	141 Å²	141	94.2 Å²	94.2	66%	0.659	44%	0.439	S	S	*	.			trans	-85	132.2	-172.4	-66.7	-169	-6.4	0	0	111.7	G25 E29 A30	G25-Q27 PolarHBondContact O-N 3.17Å; Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.11Å; Q27-A30 VanDerWaalsContact O-CB 3.24Å; Q27-A30 WeakPolarHBondContact O-CB 3.45Å; Q27-A30 PolarHBondContact O-N 3.3Å
28	P	46.6	Very low	43.7	Very low	128 Å²	128	93.2 Å²	93.2	83%	0.831	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.5	177.7	23.9	-32.3	0	0	0	113.2	A30	P28-A30 VanDerWaalsContact C-N 3.32Å
29	E	44.5	Very low	43.9	Very low	174 Å²	174	89.2 Å²	89.2	81%	0.813	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.9	176.3	-57.9	-164.8	175	0	0	114.2	Q27 R31	Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.11Å; E29-R31 PolarHBondContact O-N 3.39Å
30	A	44.7	Very low	44.2	Very low	18 Å²	18	85.7 Å²	85.7	15%	0.149	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-57.6	116.4	179.9	0	0	0	0	0	110.4	Y23 I24 Q27 P28	Y23-A30 WeakPolarHBondContact CD1-O 3.46Å; I24-A30 VanDerWaalsContact O-CB 3.25Å; I24-A30 WeakPolarHBondContact O-CB 3.43Å; Q27-A30 VanDerWaalsContact O-CB 3.24Å; Q27-A30 WeakPolarHBondContact O-CB 3.45Å; Q27-A30 PolarHBondContact O-N 3.3Å; P28-A30 VanDerWaalsContact C-N 3.32Å
31	R	42.4	Very low	44.1	Very low	224 Å²	224	84.1 Å²	84.1	85%	0.845	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-59.5	128.5	176.8	-70.1	-176.2	-179.5	-177	0.4	108.7	E29 V33	E29-R31 PolarHBondContact O-N 3.39Å; R31-V33 PolarHBondContact O-N 3.34Å
32	P	46.4	Very low	44.6	Very low	37 Å²	37	79 Å²	79	24%	0.24	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.9	125.3	178.9	26.3	-35.5	0	0	0	110.6	R21 W22 Y23 Y34	R21-P32 HydrophobicContact CG-CB 3.45Å; R21-P32 VanDerWaalsContact CG-CB 3.45Å; W22-P32 CarbonylContact O-C 3.51Å; W22-P32 VanDerWaalsContact O-CA 3.29Å; W22-P32 WeakPolarHBondContact O-CA 3.39Å; Y23-P32 HydrophobicContact CE1-CB 4.47Å; P32-Y34 HydrophobicContact CB-CE2 3.9Å; P32-Y34 HydrophobicContact CG-CE2 3.71Å
33	V	41.5	Very low	44.6	Very low	50 Å²	50	78.8 Å²	78.8	30%	0.303	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.9	168.3	-177.9	0	0	0	0	107.7	W22 I24 R31 H35	W22-V33 PolarHBondContact N-O 3.24Å; W22-V33 PolarHBondContact O-N 3.35Å; I24-V33 HydrophobicContact CD1-CB 4.39Å; I24-V33 HydrophobicContact CD1-CG2 3.65Å; I24-V33 HydrophobicContact CG1-CG2 4.19Å; R31-V33 PolarHBondContact O-N 3.34Å; V33-H35 VanDerWaalsContact CG1-CE1 3.48Å; V33-H35 WeakPolarHBondContact CG1-CE1 3.3Å
34	Y	43.1	Very low	44.9	Very low	129 Å²	129	75.5 Å²	75.5	51%	0.506	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.9	178.5	-65.7	-84.6	0	0	0	110.3	F20 R21 P32	F20-Y34 WeakPolarHBondContact O-CA 3.47Å; R21-Y34 HydrophobicContact CB-CD1 4.09Å; R21-Y34 HydrophobicContact CB-CE1 3.76Å; R21-Y34 WeakPolarHBondContact CD-OH 3.28Å; R21-Y34 HydrophobicContact CG-CD1 4.2Å; R21-Y34 HydrophobicContact CG-CE1 3.57Å; R21-Y34 PolarHBondContact NE-OH 3.38Å; P32-Y34 HydrophobicContact CB-CE2 3.9Å; P32-Y34 HydrophobicContact CG-CE2 3.71Å
35	H	46.7	Very low	45.1	Very low	54 Å²	54	75 Å²	75	25%	0.25	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.5	171.3	-71.9	-21.6	0	0	0	109.9	F20 V33	F20-H35 PolarHBondContact N-O 3.35Å; F20-H35 PolarHBondContact O-N 3.07Å; V33-H35 VanDerWaalsContact CG1-CE1 3.48Å; V33-H35 WeakPolarHBondContact CG1-CE1 3.3Å
36	S	47.5	Very low	45.4	Very low	39 Å²	39	78.1 Å²	78.1	27%	0.273	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.9	173.8	-165.7	0	0	0	0	109.1	Q17 R18	Q17-S36 PolarHBondContact NE2-OG 2.84Å; R18-S36 WeakPolarHBondContact O-CA 3.46Å; R18-S36 PolarHBondContact O-OG 2.96Å
37	V	49.5	Very low	45.3	Very low	4 Å²	4	72.2 Å²	72.2	2%	0.024	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126	171	-167.7	0	0	0	0	107.5	R18 F20 C39 V52 L58 V96	R18-V37 PolarHBondContact N-O 3.26Å; R18-V37 VanDerWaalsContact N-O 3.17Å; R18-V37 PolarHBondContact O-N 2.87Å; F20-V37 HydrophobicContact CD2-CB 4.39Å; F20-V37 HydrophobicContact CD2-CG2 3.9Å; F20-V37 HydrophobicContact CE2-CB 3.79Å; F20-V37 HydrophobicContact CE2-CG2 3.67Å; V37-C39 VanDerWaalsContact CG1-SG 3.55Å; V37-V52 HydrophobicContact CG1-CG1 3.73Å; V37-L58 HydrophobicContact CG2-CD1 3.98Å; V37-V96 HydrophobicContact CG1-CG1 3.87Å; V37-V96 HydrophobicContact CG2-CG1 4.28Å
38	K	48.5	Very low	45.5	Very low	73 Å²	73	67.5 Å²	67.5	32%	0.317	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.4	174.2	-63.4	-162.7	-166.3	-148.7	0	108.4	Q17 K53	Q17-K38 HydrophobicContact CB-CG 4.21Å; Q17-K38 HydrophobicContact CG-CD 4.36Å; Q17-K38 HydrophobicContact CG-CG 3.87Å; K38-K53 PolarHBondContact N-O 3.37Å; K38-K53 PolarHBondContact O-N 2.92Å; K38-K53 VanDerWaalsContact O-O 3.08Å
39	C	48.7	Very low	45.4	Very low	3 Å²	3	69 Å²	69	2%	0.02	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.3	178.7	-68.5	0	0	0	0	108.2	V16 V37 C100 I104	V16-C39 PolarHBondContact N-O 2.83Å; V16-C39 PolarHBondContact O-N 3.2Å; V16-C39 VanDerWaalsContact O-O 3.09Å; V37-C39 VanDerWaalsContact CG1-SG 3.55Å; C39-C100 HydrophobicContact CB-CB 3.74Å; C39-C100 WeakPolarHBondContact CB-SG 3.37Å; C39-C100 WeakPolarHBondContact SG-CB 3.33Å; C39-C100 CovalentContact SG-SG 2.03Å; C39-C100 PolarHBondContact SG-SG 3.23Å; C39-I104 HydrophobicContact CB-CD1 3.82Å
40	R	45.8	Very low	45.5	Very low	129 Å²	129	63 Å²	63	49%	0.487	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.9	176.1	-68.2	-169.8	175.8	178.6	-0.6	108.3	V15 V50 D51	V15-R40 HydrophobicContact CG1-CG 4.09Å; V15-R40 HydrophobicContact CG2-CG 4.01Å; R40-V50 CarbonylContact O-C 3.54Å; R40-V50 WeakPolarHBondContact O-CA 3.2Å; R40-D51 HydrophobicContact CB-CB 4.47Å; R40-D51 PolarHBondContact N-O 3.43Å; R40-D51 PolarHBondContact O-N 2.81Å
41	A	47	Very low	45.7	Very low	2 Å²	2	65.7 Å²	65.7	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.1	169.7	0	0	0	0	0	109.1	C14 V48 K49 I104	C14-A41 HydrophobicContact CB-CB 4.47Å; C14-A41 PolarHBondContact N-O 3.22Å; C14-A41 PolarHBondContact O-N 3.2Å; A41-V48 HydrophobicContact CB-CG1 4.19Å; A41-K49 WeakPolarHBondContact CA-O 3.46Å; A41-I104 HydrophobicContact CB-CB 4.22Å; A41-I104 HydrophobicContact CB-CD1 3.81Å; A41-I104 HydrophobicContact CB-CG1 3.92Å; A41-I104 HydrophobicContact CB-CG2 3.28Å
42	A	49.7	Very low	46	Very low	26 Å²	26	56.6 Å²	56.6	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.2	164.2	0	0	0	0	0	107.9	K49	A42-K49 PolarHBondContact N-O 3.23Å; A42-K49 PolarHBondContact O-N 3.42Å
43	V	45.5	Very low	45.9	Very low	29 Å²	29	59.8 Å²	59.8	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.5	170.7	-171.6	0	0	0	0	107.8	L12 V48 L108	L12-V43 HydrophobicContact CB-CB 4.45Å; L12-V43 PolarHBondContact O-N 2.89Å; L12-V43 VanDerWaalsContact O-N 3.07Å; V43-V48 HydrophobicContact CG1-CG2 4.46Å; V43-V48 HydrophobicContact CG2-CG2 4.39Å; V43-L108 HydrophobicContact CG2-CD1 3.71Å; V43-L108 HydrophobicContact CG2-CD2 3.33Å; V43-L108 HydrophobicContact CG2-CG 4.16Å
44	T	46.3	Very low	45.9	Very low	52 Å²	52	61.2 Å²	61.2	32%	0.319	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	167.5	172.5	73.1	0	0	0	0	109.1	A46 G47	T44-A46 PolarHBondContact O-N 2.95Å; T44-A46 PolarHBondContact OG1-N 2.82Å; T44-G47 PolarHBondContact N-O 2.81Å; T44-G47 PolarHBondContact O-N 3.42Å; T44-G47 VanDerWaalsContact O-O 3.07Å; T44-G47 PolarHBondContact OG1-N 3.35Å; T44-G47 PolarHBondContact OG1-O 3.42Å
45	A	41.5	Very low	45.7	Very low	80 Å²	80	59.5 Å²	59.5	66%	0.661	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.6	174.4	0	0	0	0	0	112.7	V7	V7-A45 HydrophobicContact CG1-CB 4.39Å
46	A	44.8	Very low	45.1	Very low	104 Å²	104	68.3 Å²	68.3	86%	0.86	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-14	-179.6	0	0	0	0	0	113.9	T44	T44-A46 PolarHBondContact O-N 2.95Å; T44-A46 PolarHBondContact OG1-N 2.82Å
47	G	40.6	Very low	44.5	Very low	20 Å²	20	72 Å²	72	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-166.8	-177.8	0	0	0	0	0	114.1	T44	T44-G47 PolarHBondContact N-O 2.81Å; T44-G47 PolarHBondContact O-N 3.42Å; T44-G47 VanDerWaalsContact O-O 3.07Å; T44-G47 PolarHBondContact OG1-N 3.35Å; T44-G47 PolarHBondContact OG1-O 3.42Å
48	V	45	Very low	43.8	Very low	42 Å²	42	73 Å²	73	26%	0.255	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.7	178.6	-176	0	0	0	0	109.4	A41 V43 V50 I104 L108 L126	A41-V48 HydrophobicContact CB-CG1 4.19Å; V43-V48 HydrophobicContact CG1-CG2 4.46Å; V43-V48 HydrophobicContact CG2-CG2 4.39Å; V48-V50 HydrophobicContact CG1-CG2 3.99Å; V48-I104 HydrophobicContact CG1-CG2 4.16Å; V48-L108 HydrophobicContact CB-CD1 4.39Å; V48-L108 HydrophobicContact CG1-CD1 3.91Å; V48-L108 HydrophobicContact CG2-CD1 3.53Å; V48-L126 HydrophobicContact CG2-CD1 4.23Å; V48-L126 HydrophobicContact CG2-CD2 4.35Å
49	K	44.4	Very low	42.8	Very low	161 Å²	161	72.4 Å²	72.4	70%	0.7	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.7	172.4	-171.2	171	-176.8	170.3	0	109.6	A41 A42	A41-K49 WeakPolarHBondContact CA-O 3.46Å; A42-K49 PolarHBondContact N-O 3.23Å; A42-K49 PolarHBondContact O-N 3.42Å
50	V	46.7	Very low	42	Very low	48 Å²	48	77.1 Å²	77.1	29%	0.291	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.6	176.9	-178.1	0	0	0	0	109.9	R40 V48 V52 V101 I104	R40-V50 CarbonylContact O-C 3.54Å; R40-V50 WeakPolarHBondContact O-CA 3.2Å; V48-V50 HydrophobicContact CG1-CG2 3.99Å; V50-V52 HydrophobicContact CG1-CG2 3.96Å; V50-V101 HydrophobicContact CG2-CG2 4.48Å; V50-I104 HydrophobicContact CB-CD1 4.2Å; V50-I104 HydrophobicContact CG1-CD1 3.37Å; V50-I104 HydrophobicContact CG2-CD1 3.8Å; V50-I104 HydrophobicContact CG2-CG2 4.33Å
51	D	49.2	Very low	41.3	Very low	73 Å²	73	74.8 Å²	74.8	39%	0.39	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.6	173.6	-179.5	14.4	0	0	0	108.3	R40 K53	R40-D51 HydrophobicContact CB-CB 4.47Å; R40-D51 PolarHBondContact N-O 3.43Å; R40-D51 PolarHBondContact O-N 2.81Å; D51-K53 WeakPolarHBondContact OD2-CE 3.32Å; D51-K53 IonicContact OD2-NZ 3.71Å
52	V	47.2	Very low	40.4	Very low	33 Å²	33	83 Å²	83	20%	0.2	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.7	179.6	-177.7	0	0	0	0	108.4	V37 V50 L55 C100	V37-V52 HydrophobicContact CG1-CG1 3.73Å; V50-V52 HydrophobicContact CG1-CG2 3.96Å; V52-L55 HydrophobicContact CG1-CD2 3.94Å; V52-L55 HydrophobicContact CG1-CG 4.07Å; V52-C100 HydrophobicContact CG2-CB 4.18Å
53	K	45.5	Very low	39.3	Very low	105 Å²	105	86.7 Å²	86.7	46%	0.457	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.2	175.6	-60.6	-161.4	-176.7	-161.9	0	110	K38 D51	K38-K53 PolarHBondContact N-O 3.37Å; K38-K53 PolarHBondContact O-N 2.92Å; K38-K53 VanDerWaalsContact O-O 3.08Å; D51-K53 WeakPolarHBondContact OD2-CE 3.32Å; D51-K53 IonicContact OD2-NZ 3.71Å
54	N	40.9	Very low	38.4	Very low	79 Å²	79	89.7 Å²	89.7	42%	0.422	50%	0.502	S	S	.	.			trans	83.3	28.9	-172.5	-64.9	-12.2	0	0	0	117.2	R56	N54-R56 PolarHBondContact O-N 3.35Å
55	L	38.5	Very low	37.4	Very low	94 Å²	94	90 Å²	90	49%	0.492	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.9	164.1	-67.3	175.8	0	0	0	112.8	V52 N57 L58 V96	V52-L55 HydrophobicContact CG1-CD2 3.94Å; V52-L55 HydrophobicContact CG1-CG 4.07Å; L55-N57 PolarHBondContact O-N 2.83Å; L55-L58 HydrophobicContact CD2-CD1 3.57Å; L55-L58 CarbonylContact O-C 3.57Å; L55-L58 WeakPolarHBondContact O-CA 3.45Å; L55-L58 WeakPolarHBondContact O-CB 3.4Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-V96 HydrophobicContact CD2-CB 4.34Å; L55-V96 HydrophobicContact CD2-CG1 4.1Å
56	R	35.5	Very low	36.9	Very low	238 Å²	238	92.3 Å²	92.3	90%	0.898	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-61.3	-29.7	-179	-64.8	-172	-172.9	-175.1	1.2	113.7	N54	N54-R56 PolarHBondContact O-N 3.35Å
57	N	33.3	Very low	36.1	Very low	117 Å²	117	98.3 Å²	98.3	63%	0.626	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-92.5	-5.6	177.3	-68.5	-4.3	0	0	0	112.9	L55 A59	L55-N57 PolarHBondContact O-N 2.83Å; N57-A59 PolarHBondContact O-N 3.17Å
58	L	34.5	Very low	35.4	Very low	26 Å²	26	106.3 Å²	106.3	14%	0.136	54%	0.539	C	S	.	.	S	Bend	trans	-79.8	63.7	155.3	-72	150.8	0	0	0	105.8	V37 L55 V96	V37-L58 HydrophobicContact CG2-CD1 3.98Å; L55-L58 HydrophobicContact CD2-CD1 3.57Å; L55-L58 CarbonylContact O-C 3.57Å; L55-L58 WeakPolarHBondContact O-CA 3.45Å; L55-L58 WeakPolarHBondContact O-CB 3.4Å; L55-L58 PolarHBondContact O-N 2.79Å; L58-V96 HydrophobicContact CD1-CB 4.48Å; L58-V96 HydrophobicContact CD1-CG1 4.01Å; L58-V96 HydrophobicContact CD1-CG2 3.8Å; L58-V96 HydrophobicContact CD2-CG2 4.34Å
59	A	28.4	Very low	34.5	Very low	59 Å²	59	109.6 Å²	109.6	49%	0.488	56%	0.561	S	S	.	*			trans	-47.3	132.5	173.9	0	0	0	0	0	107.2	N57 F61	N57-A59 PolarHBondContact O-N 3.17Å; A59-F61 PolarHBondContact O-N 3.4Å
60	P	32.5	Very low	33.7	Very low	102 Å²	102	107.6 Å²	107.6	66%	0.662	55%	0.553	S	S	*	*			trans	-54.2	115.7	-174.6	21.5	-30.7	0	0	0	106.6	H62	P60-H62 PolarHBondContact O-N 3.39Å
61	F	31.5	Very low	32.7	Very low	81 Å²	81	107.9 Å²	107.9	36%	0.355	56%	0.56	S	S	.	*			trans	-39.5	113.5	173.9	-79.1	-92.4	0	0	0	106.4	A59 S63 F72	A59-F61 PolarHBondContact O-N 3.4Å; F61-S63 PolarHBondContact O-N 2.85Å; F61-S63 VanDerWaalsContact O-N 3.12Å; F61-F72 HydrophobicContact CD1-CZ 4.44Å; F61-F72 HydrophobicContact CE1-CZ 4.22Å
62	H	28.1	Very low	31.8	Very low	174 Å²	174	108.7 Å²	108.7	81%	0.806	56%	0.561	S	S	*	*			trans	-43.4	125.3	-173	-80.7	-95.9	0	0	0	107.7	P60	P60-H62 PolarHBondContact O-N 3.39Å
63	S	25.7	Very low	30.7	Very low	104 Å²	104	110.6 Å²	110.6	73%	0.727	58%	0.579	S	S	*	*			trans	-15.2	119.3	179.6	-171.9	0	0	0	0	111.9	F61 S65	F61-S63 PolarHBondContact O-N 2.85Å; F61-S63 VanDerWaalsContact O-N 3.12Å; S63-S65 VanDerWaalsContact C-N 3.3Å; S63-S65 PolarHBondContact O-N 3.49Å
64	P	26.8	Very low	29.8	Very low	92 Å²	92	108.1 Å²	108.1	60%	0.597	58%	0.584	S	S	*	*			trans	-54.2	102.8	175.2	22.7	-31.3	0	0	0	107.2	P66	P64-P66 WeakPolarHBondContact O-CD 3.31Å; P64-P66 VanDerWaalsContact O-N 3.17Å
65	S	25.8	Very low	29	Very low	59 Å²	59	113.7 Å²	113.7	41%	0.413	61%	0.607	S	S	.	*			trans	-62.1	121.5	173	169.6	0	0	0	0	105.2	S63 R67 R68	S63-S65 VanDerWaalsContact C-N 3.3Å; S63-S65 PolarHBondContact O-N 3.49Å; S65-R67 PolarHBondContact O-N 3.22Å; S65-R68 CarbonylContact O-C 3.44Å; S65-R68 PolarHBondContact O-N 2.79Å
66	P	30	Very low	28.6	Very low	127 Å²	127	113.4 Å²	113.4	83%	0.825	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-17.1	-176.2	19.8	-30.4	0	0	0	112.6	P64	P64-P66 WeakPolarHBondContact O-CD 3.31Å; P64-P66 VanDerWaalsContact O-N 3.17Å
67	R	28.8	Very low	28.2	Very low	230 Å²	230	106 Å²	106	87%	0.868	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-7.3	177.6	-64.1	-170.5	177.7	-169.3	-0.4	114.7	S65	S65-R67 PolarHBondContact O-N 3.22Å
68	R	25.7	Very low	27.9	Very low	188 Å²	188	112 Å²	112	71%	0.709	61%	0.608	S	S	*	*			trans	-144.9	78.2	176.3	-65.2	-170.9	-171.6	-170	2.3	109.4	S65 F70	S65-R68 CarbonylContact O-C 3.44Å; S65-R68 PolarHBondContact O-N 2.79Å; R68-F70 PolarHBondContact O-N 3.05Å
69	P	25.5	Very low	27.4	Very low	111 Å²	111	117.5 Å²	117.5	72%	0.721	63%	0.633	S	S	*	*			trans	-57.2	110.5	165.3	24.6	-31	0	0	0	107	A71	P69-A71 VanDerWaalsContact C-N 3.32Å; P69-A71 PolarHBondContact O-N 3.45Å
70	F	28.3	Very low	27.3	Very low	119 Å²	119	121.2 Å²	121.2	52%	0.522	65%	0.652	S	S	.	*			trans	-65.5	98.5	173.3	-74.8	-86.8	0	0	0	107.1	I24 R68 F72	I24-F70 HydrophobicContact CG2-CE1 4.34Å; R68-F70 PolarHBondContact O-N 3.05Å; F70-F72 HydrophobicContact CB-CE2 4.46Å; F70-F72 WeakPolarHBondContact O-CD2 3.43Å; F70-F72 PolarHBondContact O-N 2.84Å; F70-F72 VanDerWaalsContact O-N 3.09Å
71	A	25.4	Very low	27.1	Very low	55 Å²	55	120.2 Å²	120.2	46%	0.455	66%	0.66	S	S	.	*			trans	-67.8	105.3	168	0	0	0	0	0	106.9	E26 P69 A73	E26-A71 WeakPolarHBondContact OE1-CB 3.33Å; P69-A71 VanDerWaalsContact C-N 3.32Å; P69-A71 PolarHBondContact O-N 3.45Å; A71-A73 PolarHBondContact O-N 3.41Å
72	F	29.7	Very low	26.9	Very low	90 Å²	90	118.8 Å²	118.8	40%	0.395	67%	0.668	S	S	.	*			trans	-70.1	72.7	169.8	-77.5	-92.3	0	0	0	108.6	F61 F70 G74 F88	F61-F72 HydrophobicContact CD1-CZ 4.44Å; F61-F72 HydrophobicContact CE1-CZ 4.22Å; F70-F72 HydrophobicContact CB-CE2 4.46Å; F70-F72 WeakPolarHBondContact O-CD2 3.43Å; F70-F72 PolarHBondContact O-N 2.84Å; F70-F72 VanDerWaalsContact O-N 3.09Å; F72-G74 PolarHBondContact O-N 3.29Å; F72-F88 HydrophobicContact CD1-CE1 4.18Å; F72-F88 HydrophobicContact CD1-CZ 4.06Å; F72-F88 HydrophobicContact CD2-CE1 4.45Å; F72-F88 HydrophobicContact CE1-CE1 4.12Å; F72-F88 HydrophobicContact CE1-CZ 4.36Å; F72-F88 HydrophobicContact CE2-CE1 4.39Å; F72-F88 HydrophobicContact CG-CE1 4.35Å; F72-F88 HydrophobicContact CG-CZ 4.33Å; F72-F88 HydrophobicContact CZ-CE1 4.23Å
73	A	24.3	Very low	27.2	Very low	72 Å²	72	113.2 Å²	113.2	60%	0.595	64%	0.642	S	S	*	*			trans	-75.8	53.6	164.8	0	0	0	0	0	109.1	A71 H75	A71-A73 PolarHBondContact O-N 3.41Å; A73-H75 VanDerWaalsContact C-N 3.34Å; A73-H75 PolarHBondContact O-N 2.82Å
74	G	27.3	Very low	27.7	Very low	54 Å²	54	110.8 Å²	110.8	56%	0.557	62%	0.623	S	S	*	*			trans	-64.4	102.1	167.5	0	0	0	0	0	106.8	F72 V76	F72-G74 PolarHBondContact O-N 3.29Å; G74-V76 WeakPolarHBondContact O-CG2 3.18Å; G74-V76 PolarHBondContact O-N 3.43Å
75	H	24.8	Very low	28.3	Very low	195 Å²	195	109.7 Å²	109.7	90%	0.903	62%	0.617	S	S	*	*			trans	-65.3	75.1	163.3	-142.8	-78.4	0	0	0	106.3	A73 S77	A73-H75 VanDerWaalsContact C-N 3.34Å; A73-H75 PolarHBondContact O-N 2.82Å; H75-S77 VanDerWaalsContact C-N 3.3Å; H75-S77 PolarHBondContact O-N 3.4Å
76	V	29.1	Very low	29.2	Very low	88 Å²	88	108.3 Å²	108.3	53%	0.533	61%	0.607	S	S	.	*			trans	-70.8	96.6	-179	-173.9	0	0	0	0	105.3	G74 R78 C85	G74-V76 WeakPolarHBondContact O-CG2 3.18Å; G74-V76 PolarHBondContact O-N 3.43Å; V76-R78 PolarHBondContact O-N 2.88Å; V76-C85 VanDerWaalsContact CG1-SG 3.53Å
77	S	26.7	Very low	29.7	Very low	84 Å²	84	107.3 Å²	107.3	59%	0.587	59%	0.594	S	S	*	*			trans	-46.6	108.3	171.1	175.9	0	0	0	0	107.2	H75 Q79	H75-S77 VanDerWaalsContact C-N 3.3Å; H75-S77 PolarHBondContact O-N 3.4Å; S77-Q79 PolarHBondContact O-N 2.77Å
78	R	26.4	Very low	30.4	Very low	243 Å²	243	100.3 Å²	100.3	92%	0.917	57%	0.57	S	S	*	*			trans	-64	73.3	165	-73.3	-177.5	177.8	179.1	-0.1	106.2	V76 P80	V76-R78 PolarHBondContact O-N 2.88Å; R78-P80 WeakPolarHBondContact O-CD 3.45Å
79	Q	25.7	Very low	31.2	Very low	140 Å²	140	91.8 Å²	91.8	65%	0.654	54%	0.541	S	S	*	.			trans	-62.3	125.6	163.9	-75.3	-160.2	-9.3	0	0	105.9	S77 G81 G82	S77-Q79 PolarHBondContact O-N 2.77Å; Q79-G81 PolarHBondContact O-N 2.81Å; Q79-G81 VanDerWaalsContact O-N 3.14Å; Q79-G82 WeakPolarHBondContact O-CA 3.26Å; Q79-G82 PolarHBondContact O-N 3.48Å
80	P	24.6	Very low	32.2	Very low	138 Å²	138	93.4 Å²	93.4	90%	0.896	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	120.7	172.5	20.9	-27.9	0	0	0	108.1	R78	R78-P80 WeakPolarHBondContact O-CD 3.45Å
81	G	30.2	Very low	32.8	Very low	80 Å²	80	91.8 Å²	91.8	83%	0.825	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	0.1	-169.6	0	0	0	0	0	115.2	Q79	Q79-G81 PolarHBondContact O-N 2.81Å; Q79-G81 VanDerWaalsContact O-N 3.14Å
82	G	26.4	Very low	33.6	Very low	51 Å²	51	90.7 Å²	90.7	53%	0.526	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-71.6	140.5	174.5	0	0	0	0	0	112.6	Q79	Q79-G82 WeakPolarHBondContact O-CA 3.26Å; Q79-G82 PolarHBondContact O-N 3.48Å
83	F	34.4	Very low	34.1	Very low	58 Å²	58	94 Å²	94	25%	0.254	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-68.4	148.4	-179.2	-79	-116	0	0	0	110.4	R18 C85 F99 T103 Y106	R18-F83 VanDerWaalsContact NH2-CZ 3.35Å; F83-C85 PolarHBondContact O-N 3.33Å; F83-F99 HydrophobicContact CB-CE2 4.33Å; F83-F99 HydrophobicContact CB-CZ 4.3Å; F83-T103 HydrophobicContact CD1-CG2 3.95Å; F83-T103 HydrophobicContact CE1-CG2 3.66Å; F83-T103 HydrophobicContact CZ-CG2 4.46Å; F83-Y106 HydrophobicContact CD1-CD2 4.33Å; F83-Y106 HydrophobicContact CD1-CG 4.39Å; F83-Y106 VanDerWaalsContact CE1-CB 3.48Å; F83-Y106 HydrophobicContact CE1-CD2 4.42Å; F83-Y106 HydrophobicContact CE1-CG 4.06Å
84	P	37.1	Very low	35.2	Very low	52 Å²	52	91.6 Å²	91.6	34%	0.338	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-55.7	135.6	-180	22	-32.4	0	0	0	110.8	F99 N102 Y106	P84-F99 WeakPolarHBondContact O-CE2 3.44Å; P84-N102 HydrophobicContact CG-CB 4.47Å; P84-Y106 HydrophobicContact CG-CE2 3.94Å
85	C	38.7	Very low	36.2	Very low	69 Å²	69	93.8 Å²	93.8	47%	0.466	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-52.2	139.8	179.6	-59.8	0	0	0	0	110.4	V76 F83 N87	V76-C85 VanDerWaalsContact CG1-SG 3.53Å; F83-C85 PolarHBondContact O-N 3.33Å; C85-N87 PolarHBondContact O-N 3.44Å
86	P	44.8	Very low	37.4	Very low	30 Å²	30	85.3 Å²	85.3	20%	0.195	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-64.1	129.7	176.6	27.8	-34.6	0	0	0	110.2	F88 L94 F99	P86-F88 HydrophobicContact CG-CE2 4.49Å; P86-F88 WeakPolarHBondContact O-CD2 3.43Å; P86-L94 HydrophobicContact CB-CD1 3.33Å; P86-L94 HydrophobicContact CB-CD2 4.13Å; P86-L94 HydrophobicContact CB-CG 3.88Å; P86-L94 HydrophobicContact CG-CD1 3.4Å; P86-L94 HydrophobicContact CG-CG 4.38Å; P86-F99 HydrophobicContact CB-CB 3.91Å; P86-F99 HydrophobicContact CB-CD2 3.79Å; P86-F99 HydrophobicContact CB-CG 4.12Å; P86-F99 HydrophobicContact CG-CD2 4.31Å
87	N	40.6	Very low	38.3	Very low	106 Å²	106	83.9 Å²	83.9	57%	0.567	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-70.1	131.8	172.9	-78.7	-24.9	0	0	0	109.6	C85 K95	C85-N87 PolarHBondContact O-N 3.44Å; N87-K95 WeakPolarHBondContact O-CB 3.04Å; N87-K95 PolarHBondContact O-N 2.82Å
88	F	43.5	Very low	39.4	Very low	83 Å²	83	82.5 Å²	82.5	36%	0.364	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-90.9	139.5	171.2	-67	-92.8	0	0	0	109.1	W22 F72 P86 G92 R93 L94	W22-F88 HydrophobicContact CZ3-CE1 4.43Å; W22-F88 HydrophobicContact CZ3-CZ 4.21Å; F72-F88 HydrophobicContact CD1-CE1 4.18Å; F72-F88 HydrophobicContact CD1-CZ 4.06Å; F72-F88 HydrophobicContact CD2-CE1 4.45Å; F72-F88 HydrophobicContact CE1-CE1 4.12Å; F72-F88 HydrophobicContact CE1-CZ 4.36Å; F72-F88 HydrophobicContact CE2-CE1 4.39Å; F72-F88 HydrophobicContact CG-CE1 4.35Å; F72-F88 HydrophobicContact CG-CZ 4.33Å; F72-F88 HydrophobicContact CZ-CE1 4.23Å; P86-F88 HydrophobicContact CG-CE2 4.49Å; P86-F88 WeakPolarHBondContact O-CD2 3.43Å; F88-G92 WeakPolarHBondContact CD1-O 3.27Å; F88-R93 WeakPolarHBondContact CA-O 3.31Å; F88-L94 HydrophobicContact CD1-CB 4.46Å; F88-L94 HydrophobicContact CD1-CD1 3.97Å; F88-L94 HydrophobicContact CE1-CB 4.25Å; F88-L94 HydrophobicContact CE1-CD1 3.4Å; F88-L94 HydrophobicContact CE1-CG 4.48Å; F88-L94 HydrophobicContact CE2-CD1 4Å; F88-L94 HydrophobicContact CZ-CD1 3.41Å; F88-L94 VanDerWaalsContact CZ-CD1 3.41Å
89	G	42.6	Very low	40.6	Very low	9 Å²	9	71.6 Å²	71.6	9%	0.093	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-65.8	166.3	166.2	0	0	0	0	0	111.2	D91 G92 R93	G89-D91 WeakPolarHBondContact CA-OD1 3.48Å; G89-D91 PolarHBondContact O-N 2.91Å; G89-D91 VanDerWaalsContact O-N 3.09Å; G89-G92 PolarHBondContact O-N 3.15Å; G89-R93 PolarHBondContact N-O 3.29Å
90	P	45.1	Very low	41.8	Very low	146 Å²	146	65.2 Å²	65.2	95%	0.948	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.3	174.6	26.2	-34.2	0	0	0	112.9	G92	P90-G92 VanDerWaalsContact C-N 3.28Å
91	D	42.1	Very low	43.1	Very low	84 Å²	84	60.5 Å²	60.5	45%	0.449	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	6	175.3	61.2	-16	0	0	0	113.8	G89 R93	G89-D91 WeakPolarHBondContact CA-OD1 3.48Å; G89-D91 PolarHBondContact O-N 2.91Å; G89-D91 VanDerWaalsContact O-N 3.09Å; D91-R93 HydrophobicContact CB-CG 4.43Å; D91-R93 PolarHBondContact O-N 3.35Å; D91-R93 WeakPolarHBondContact OD1-CB 2.8Å; D91-R93 PolarHBondContact OD1-N 3.48Å; D91-R93 WeakPolarHBondContact OD2-CD 3.31Å; D91-R93 WeakPolarHBondContact OD2-CG 3.38Å; D91-R93 IonicContact OD2-NE 3.54Å
92	G	42.2	Very low	44.2	Very low	32 Å²	32	59.9 Å²	59.9	33%	0.33	35%	0.345	S	S	.	.	S	Bend	trans	69.2	6.9	-176.1	0	0	0	0	0	113.4	F88 G89 P90	F88-G92 WeakPolarHBondContact CD1-O 3.27Å; G89-G92 PolarHBondContact O-N 3.15Å; P90-G92 VanDerWaalsContact C-N 3.28Å
93	R	39.3	Very low	45.6	Very low	161 Å²	161	57.7 Å²	57.7	61%	0.608	32%	0.322	S	S	*	.			trans	-78.8	133.6	175.6	-65.8	-171.1	-175.3	166.3	-2.9	109.3	F88 G89 D91 K95	F88-R93 WeakPolarHBondContact CA-O 3.31Å; G89-R93 PolarHBondContact N-O 3.29Å; D91-R93 HydrophobicContact CB-CG 4.43Å; D91-R93 PolarHBondContact O-N 3.35Å; D91-R93 WeakPolarHBondContact OD1-CB 2.8Å; D91-R93 PolarHBondContact OD1-N 3.48Å; D91-R93 WeakPolarHBondContact OD2-CD 3.31Å; D91-R93 WeakPolarHBondContact OD2-CG 3.38Å; D91-R93 IonicContact OD2-NE 3.54Å; R93-K95 PolarHBondContact O-N 3.36Å
94	L	48	Very low	46.6	Very low	21 Å²	21	55 Å²	55	11%	0.11	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-61.3	125.2	169.9	-162.1	85.6	0	0	0	109	W22 P86 F88 V96	W22-L94 HydrophobicContact CH2-CB 4.16Å; W22-L94 HydrophobicContact CH2-CD1 3.39Å; W22-L94 HydrophobicContact CH2-CD2 3.31Å; W22-L94 HydrophobicContact CH2-CG 3.75Å; W22-L94 HydrophobicContact CZ2-CD2 3.88Å; W22-L94 HydrophobicContact CZ3-CD1 3.65Å; W22-L94 HydrophobicContact CZ3-CD2 4.38Å; W22-L94 HydrophobicContact CZ3-CG 4.42Å; P86-L94 HydrophobicContact CB-CD1 3.33Å; P86-L94 HydrophobicContact CB-CD2 4.13Å; P86-L94 HydrophobicContact CB-CG 3.88Å; P86-L94 HydrophobicContact CG-CD1 3.4Å; P86-L94 HydrophobicContact CG-CG 4.38Å; F88-L94 HydrophobicContact CD1-CB 4.46Å; F88-L94 HydrophobicContact CD1-CD1 3.97Å; F88-L94 HydrophobicContact CE1-CB 4.25Å; F88-L94 HydrophobicContact CE1-CD1 3.4Å; F88-L94 HydrophobicContact CE1-CG 4.48Å; F88-L94 HydrophobicContact CE2-CD1 4Å; F88-L94 HydrophobicContact CZ-CD1 3.41Å; F88-L94 VanDerWaalsContact CZ-CD1 3.41Å; L94-V96 HydrophobicContact CB-CG2 3.97Å; L94-V96 HydrophobicContact CD2-CB 4.04Å; L94-V96 HydrophobicContact CD2-CG2 3.34Å; L94-V96 HydrophobicContact CG-CG2 4.1Å; L94-V96 PolarHBondContact O-N 2.83Å
95	K	47.6	Very low	47.3	Very low	100 Å²	100	54.2 Å²	54.2	44%	0.435	30%	0.302	S	S	.	.			trans	-75.3	71.2	162.8	-61.7	-172.7	179.7	-178	0	108.7	N87 R93 A97 D98 F99	N87-K95 WeakPolarHBondContact O-CB 3.04Å; N87-K95 PolarHBondContact O-N 2.82Å; R93-K95 PolarHBondContact O-N 3.36Å; K95-A97 PolarHBondContact O-N 2.84Å; K95-A97 VanDerWaalsContact O-N 3.13Å; K95-D98 HydrophobicContact CB-CB 3.97Å; K95-D98 WeakPolarHBondContact CB-OD2 3.41Å; K95-D98 WeakPolarHBondContact CD-OD2 3.03Å; K95-D98 PolarHBondContact O-N 3.17Å; K95-F99 PolarHBondContact O-N 2.92Å; K95-F99 VanDerWaalsContact O-N 3.15Å
96	V	50.4	Low	48.1	Very low	16 Å²	16	56.8 Å²	56.8	10%	0.097	30%	0.303	C	S	.	.	H	α-helix	trans	-51.1	-35.6	175.8	-177.8	0	0	0	0	110.8	V37 L55 L58 L94 F99 C100	V37-V96 HydrophobicContact CG1-CG1 3.87Å; V37-V96 HydrophobicContact CG2-CG1 4.28Å; L55-V96 HydrophobicContact CD2-CB 4.34Å; L55-V96 HydrophobicContact CD2-CG1 4.1Å; L58-V96 HydrophobicContact CD1-CB 4.48Å; L58-V96 HydrophobicContact CD1-CG1 4.01Å; L58-V96 HydrophobicContact CD1-CG2 3.8Å; L58-V96 HydrophobicContact CD2-CG2 4.34Å; L94-V96 HydrophobicContact CB-CG2 3.97Å; L94-V96 HydrophobicContact CD2-CB 4.04Å; L94-V96 HydrophobicContact CD2-CG2 3.34Å; L94-V96 HydrophobicContact CG-CG2 4.1Å; L94-V96 PolarHBondContact O-N 2.83Å; V96-F99 PolarHBondContact O-N 2.91Å; V96-C100 WeakPolarHBondContact O-CB 3.39Å; V96-C100 PolarHBondContact O-N 2.96Å
97	A	48.5	Very low	48.5	Very low	58 Å²	58	56.8 Å²	56.8	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-55.5	-56.4	173.2	0	0	0	0	0	111.3	K95 F99 C100 V101	K95-A97 PolarHBondContact O-N 2.84Å; K95-A97 VanDerWaalsContact O-N 3.13Å; A97-F99 VanDerWaalsContact C-N 3.33Å; A97-F99 PolarHBondContact O-N 2.84Å; A97-C100 PolarHBondContact O-N 3.09Å; A97-V101 WeakPolarHBondContact O-CB 3.2Å; A97-V101 VanDerWaalsContact O-CG2 3.27Å; A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 2.88Å
98	D	49.3	Very low	49.2	Very low	56 Å²	56	52.6 Å²	52.6	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-59.1	-43.3	-179	-64.7	-3.4	0	0	0	111.8	K95 V101 N102	K95-D98 HydrophobicContact CB-CB 3.97Å; K95-D98 WeakPolarHBondContact CB-OD2 3.41Å; K95-D98 WeakPolarHBondContact CD-OD2 3.03Å; K95-D98 PolarHBondContact O-N 3.17Å; D98-V101 PolarHBondContact O-N 2.96Å; D98-N102 VanDerWaalsContact O-CB 3.31Å; D98-N102 WeakPolarHBondContact O-CB 3.02Å; D98-N102 VanDerWaalsContact O-CG 3.29Å; D98-N102 PolarHBondContact O-N 2.03Å; D98-N102 PolarHBondContact O-ND2 3.24Å
99	F	50.8	Low	49.7	Very low	14 Å²	14	51.9 Å²	51.9	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-44.1	177.8	-176.9	-87.1	0	0	0	112.2	F20 F83 P84 P86 K95 V96 A97 N102 T103	F20-F99 AromaticContact CE1-CD1 3.68Å; F20-F99 HydrophobicContact CE1-CD1 3.68Å; F20-F99 AromaticContact CE1-CE1 3.21Å; F20-F99 HydrophobicContact CE1-CE1 3.21Å; F20-F99 HydrophobicContact CE1-CE2 4.34Å; F20-F99 HydrophobicContact CE1-CG 4.46Å; F20-F99 AromaticContact CE1-CZ 3.57Å; F20-F99 HydrophobicContact CE1-CZ 3.57Å; F20-F99 AromaticContact CZ-CD1 3.52Å; F20-F99 HydrophobicContact CZ-CD1 3.52Å; F20-F99 AromaticContact CZ-CE1 3.2Å; F20-F99 HydrophobicContact CZ-CE1 3.2Å; F20-F99 HydrophobicContact CZ-CZ 4.04Å; F83-F99 HydrophobicContact CB-CE2 4.33Å; F83-F99 HydrophobicContact CB-CZ 4.3Å; P84-F99 WeakPolarHBondContact O-CE2 3.44Å; P86-F99 HydrophobicContact CB-CB 3.91Å; P86-F99 HydrophobicContact CB-CD2 3.79Å; P86-F99 HydrophobicContact CB-CG 4.12Å; P86-F99 HydrophobicContact CG-CD2 4.31Å; K95-F99 PolarHBondContact O-N 2.92Å; K95-F99 VanDerWaalsContact O-N 3.15Å; V96-F99 PolarHBondContact O-N 2.91Å; A97-F99 VanDerWaalsContact C-N 3.33Å; A97-F99 PolarHBondContact O-N 2.84Å; F99-N102 PolarHBondContact O-N 3.02Å; F99-T103 WeakPolarHBondContact CE1-OG1 3.2Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.48Å; F99-T103 WeakPolarHBondContact O-CB 3.07Å; F99-T103 PolarHBondContact O-N 3.14Å; F99-T103 PolarHBondContact O-OG1 3.37Å
100	C	51.8	Low	50	Low	6 Å²	6	58 Å²	58	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-41	178.2	-90.6	0	0	0	0	112.2	C39 V52 V96 A97 T103 I104	C39-C100 HydrophobicContact CB-CB 3.74Å; C39-C100 WeakPolarHBondContact CB-SG 3.37Å; C39-C100 WeakPolarHBondContact SG-CB 3.33Å; C39-C100 CovalentContact SG-SG 2.03Å; C39-C100 PolarHBondContact SG-SG 3.23Å; V52-C100 HydrophobicContact CG2-CB 4.18Å; V96-C100 WeakPolarHBondContact O-CB 3.39Å; V96-C100 PolarHBondContact O-N 2.96Å; A97-C100 PolarHBondContact O-N 3.09Å; C100-T103 PolarHBondContact O-N 2.78Å; C100-I104 VanDerWaalsContact O-CB 3.26Å; C100-I104 WeakPolarHBondContact O-CB 3.41Å; C100-I104 WeakPolarHBondContact O-CD1 3.46Å; C100-I104 VanDerWaalsContact O-CG1 3.22Å; C100-I104 WeakPolarHBondContact O-CG1 3.22Å; C100-I104 PolarHBondContact O-N 3.04Å
101	V	52.8	Low	50.2	Low	39 Å²	39	53.6 Å²	53.6	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-50	173.6	171.5	0	0	0	0	109.6	V50 A97 D98 T103 I104 M105	V50-V101 HydrophobicContact CG2-CG2 4.48Å; A97-V101 WeakPolarHBondContact O-CB 3.2Å; A97-V101 VanDerWaalsContact O-CG2 3.27Å; A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 2.88Å; D98-V101 PolarHBondContact O-N 2.96Å; V101-T103 PolarHBondContact O-N 3.13Å; V101-I104 PolarHBondContact O-N 2.82Å; V101-M105 HydrophobicContact CG1-CG 4.24Å; V101-M105 VanDerWaalsContact O-CB 3.32Å; V101-M105 WeakPolarHBondContact O-CB 3.49Å; V101-M105 WeakPolarHBondContact O-CG 3.34Å; V101-M105 PolarHBondContact O-N 2.93Å
102	N	53.3	Low	50.4	Low	67 Å²	67	53.3 Å²	53.3	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-47	176.6	-77	-18.3	0	0	0	111.8	P84 D98 F99 I104 M105 Y106	P84-N102 HydrophobicContact CG-CB 4.47Å; D98-N102 VanDerWaalsContact O-CB 3.31Å; D98-N102 WeakPolarHBondContact O-CB 3.02Å; D98-N102 VanDerWaalsContact O-CG 3.29Å; D98-N102 PolarHBondContact O-N 2.03Å; D98-N102 PolarHBondContact O-ND2 3.24Å; F99-N102 PolarHBondContact O-N 3.02Å; N102-I104 VanDerWaalsContact C-N 3.35Å; N102-I104 PolarHBondContact O-N 2.85Å; N102-M105 PolarHBondContact O-N 3.44Å; N102-Y106 VanDerWaalsContact O-CD2 3.31Å; N102-Y106 WeakPolarHBondContact O-CD2 3.43Å; N102-Y106 PolarHBondContact O-N 3.37Å
103	T	54.2	Low	50.6	Low	4 Å²	4	55.4 Å²	55.4	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-44.7	179.8	-60	0	0	0	0	111.5	V16 F83 F99 C100 V101 Y106 C107	V16-T103 HydrophobicContact CG1-CG2 3.87Å; F83-T103 HydrophobicContact CD1-CG2 3.95Å; F83-T103 HydrophobicContact CE1-CG2 3.66Å; F83-T103 HydrophobicContact CZ-CG2 4.46Å; F99-T103 WeakPolarHBondContact CE1-OG1 3.2Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.48Å; F99-T103 WeakPolarHBondContact O-CB 3.07Å; F99-T103 PolarHBondContact O-N 3.14Å; F99-T103 PolarHBondContact O-OG1 3.37Å; C100-T103 PolarHBondContact O-N 2.78Å; V101-T103 PolarHBondContact O-N 3.13Å; T103-Y106 PolarHBondContact O-N 3.22Å; T103-C107 PolarHBondContact O-N 2.73Å; T103-C107 PolarHBondContact O-SG 2.72Å
104	I	55.6	Low	50.6	Low	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-47.3	175.4	-76.4	162.8	0	0	0	110	V16 C39 A41 V48 V50 C100 V101 N102 Y106 C107 L108	V16-I104 HydrophobicContact CG2-CG1 4.49Å; C39-I104 HydrophobicContact CB-CD1 3.82Å; A41-I104 HydrophobicContact CB-CB 4.22Å; A41-I104 HydrophobicContact CB-CD1 3.81Å; A41-I104 HydrophobicContact CB-CG1 3.92Å; A41-I104 HydrophobicContact CB-CG2 3.28Å; V48-I104 HydrophobicContact CG1-CG2 4.16Å; V50-I104 HydrophobicContact CB-CD1 4.2Å; V50-I104 HydrophobicContact CG1-CD1 3.37Å; V50-I104 HydrophobicContact CG2-CD1 3.8Å; V50-I104 HydrophobicContact CG2-CG2 4.33Å; C100-I104 VanDerWaalsContact O-CB 3.26Å; C100-I104 WeakPolarHBondContact O-CB 3.41Å; C100-I104 WeakPolarHBondContact O-CD1 3.46Å; C100-I104 VanDerWaalsContact O-CG1 3.22Å; C100-I104 WeakPolarHBondContact O-CG1 3.22Å; C100-I104 PolarHBondContact O-N 3.04Å; V101-I104 PolarHBondContact O-N 2.82Å; N102-I104 VanDerWaalsContact C-N 3.35Å; N102-I104 PolarHBondContact O-N 2.85Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 2.86Å; I104-C107 CarbonylContact O-C 3.52Å; I104-C107 WeakPolarHBondContact O-CA 3.4Å; I104-C107 WeakPolarHBondContact O-CB 3.41Å; I104-C107 PolarHBondContact O-N 3.17Å; I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.23Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.89Å
105	M	53.3	Low	50.6	Low	35 Å²	35	57.9 Å²	57.9	17%	0.172	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-44.4	178.5	-75.8	-66.2	-78.8	0	0	111.3	V101 N102 C107 L108 L109 L126	V101-M105 HydrophobicContact CG1-CG 4.24Å; V101-M105 VanDerWaalsContact O-CB 3.32Å; V101-M105 WeakPolarHBondContact O-CB 3.49Å; V101-M105 WeakPolarHBondContact O-CG 3.34Å; V101-M105 PolarHBondContact O-N 2.93Å; N102-M105 PolarHBondContact O-N 3.44Å; M105-C107 PolarHBondContact O-N 3.17Å; M105-L108 PolarHBondContact O-N 2.82Å; M105-L108 VanDerWaalsContact O-N 3.17Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 VanDerWaalsContact O-CG 3.3Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 2.88Å; M105-L126 HydrophobicContact CE-CD1 3.62Å; M105-L126 HydrophobicContact SD-CD1 3.78Å
106	Y	54.7	Low	50.3	Low	124 Å²	124	56.3 Å²	56.3	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-43.2	172	-92.7	-79.2	0	0	0	112.3	F83 P84 N102 T103 I104 L108 L109 F110	F83-Y106 HydrophobicContact CD1-CD2 4.33Å; F83-Y106 HydrophobicContact CD1-CG 4.39Å; F83-Y106 VanDerWaalsContact CE1-CB 3.48Å; F83-Y106 HydrophobicContact CE1-CD2 4.42Å; F83-Y106 HydrophobicContact CE1-CG 4.06Å; P84-Y106 HydrophobicContact CG-CE2 3.94Å; N102-Y106 VanDerWaalsContact O-CD2 3.31Å; N102-Y106 WeakPolarHBondContact O-CD2 3.43Å; N102-Y106 PolarHBondContact O-N 3.37Å; T103-Y106 PolarHBondContact O-N 3.22Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 2.86Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.86Å; Y106-L109 PolarHBondContact O-N 3.09Å; Y106-F110 VanDerWaalsContact O-CB 3.28Å; Y106-F110 WeakPolarHBondContact O-CB 3.36Å; Y106-F110 PolarHBondContact O-N 3.06Å
107	C	52.1	Low	49.8	Very low	29 Å²	29	58.8 Å²	58.8	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-36.8	174.2	-69.7	0	0	0	0	112.1	V16 T103 I104 M105 F110 I111	V16-C107 HydrophobicContact CG2-CB 4.22Å; T103-C107 PolarHBondContact O-N 2.73Å; T103-C107 PolarHBondContact O-SG 2.72Å; I104-C107 CarbonylContact O-C 3.52Å; I104-C107 WeakPolarHBondContact O-CA 3.4Å; I104-C107 WeakPolarHBondContact O-CB 3.41Å; I104-C107 PolarHBondContact O-N 3.17Å; M105-C107 PolarHBondContact O-N 3.17Å; C107-F110 PolarHBondContact O-N 3.28Å; C107-I111 WeakPolarHBondContact O-CB 3.45Å; C107-I111 WeakPolarHBondContact O-CD1 3.29Å; C107-I111 WeakPolarHBondContact O-CG1 3.46Å; C107-I111 PolarHBondContact O-N 3.23Å
108	L	56	Low	49.4	Very low	18 Å²	18	61.3 Å²	61.3	9%	0.094	33%	0.334	C	S	.	.	H	α-helix	trans	-71.5	-39.9	176.6	-66.2	-176.8	0	0	0	112.2	V43 V48 I104 M105 Y106 F110 I111 R112	V43-L108 HydrophobicContact CG2-CD1 3.71Å; V43-L108 HydrophobicContact CG2-CD2 3.33Å; V43-L108 HydrophobicContact CG2-CG 4.16Å; V48-L108 HydrophobicContact CB-CD1 4.39Å; V48-L108 HydrophobicContact CG1-CD1 3.91Å; V48-L108 HydrophobicContact CG2-CD1 3.53Å; I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.23Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.89Å; M105-L108 PolarHBondContact O-N 2.82Å; M105-L108 VanDerWaalsContact O-N 3.17Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.86Å; L108-F110 VanDerWaalsContact C-N 3.29Å; L108-I111 HydrophobicContact CD2-CD1 4.23Å; L108-I111 PolarHBondContact O-N 2.95Å; L108-R112 WeakPolarHBondContact O-CB 3.32Å; L108-R112 WeakPolarHBondContact O-CG 3.24Å; L108-R112 PolarHBondContact O-N 3Å
109	L	53.7	Low	49.2	Very low	68 Å²	68	64 Å²	64	36%	0.356	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-40.8	171.1	-71.7	171.5	0	0	0	110.7	M105 Y106 R112 A113 P123	M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 VanDerWaalsContact O-CG 3.3Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 2.88Å; Y106-L109 PolarHBondContact O-N 3.09Å; L109-R112 WeakPolarHBondContact O-CB 3.48Å; L109-R112 PolarHBondContact O-N 3.05Å; L109-A113 PolarHBondContact O-N 2.86Å; L109-P123 HydrophobicContact CD2-CB 4.44Å
110	F	48.5	Very low	48.5	Very low	139 Å²	139	67 Å²	67	61%	0.61	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-42.6	175.4	-167.3	-104.7	0	0	0	111.9	Y106 C107 L108 R112 A113 I114	Y106-F110 VanDerWaalsContact O-CB 3.28Å; Y106-F110 WeakPolarHBondContact O-CB 3.36Å; Y106-F110 PolarHBondContact O-N 3.06Å; C107-F110 PolarHBondContact O-N 3.28Å; L108-F110 VanDerWaalsContact C-N 3.29Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 2.92Å; F110-A113 WeakPolarHBondContact O-CB 3.35Å; F110-A113 PolarHBondContact O-N 2.89Å; F110-I114 HydrophobicContact CD1-CD1 3.57Å; F110-I114 HydrophobicContact CD1-CG1 4.37Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.2Å; F110-I114 HydrophobicContact CZ-CD1 4.15Å; F110-I114 WeakPolarHBondContact O-CG1 3.49Å; F110-I114 PolarHBondContact O-N 2.81Å
111	I	49.3	Very low	47.6	Very low	53 Å²	53	73 Å²	73	27%	0.272	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-38.2	172.5	-69.9	161.6	0	0	0	110.8	C107 L108 I114 K115	C107-I111 WeakPolarHBondContact O-CB 3.45Å; C107-I111 WeakPolarHBondContact O-CD1 3.29Å; C107-I111 WeakPolarHBondContact O-CG1 3.46Å; C107-I111 PolarHBondContact O-N 3.23Å; L108-I111 HydrophobicContact CD2-CD1 4.23Å; L108-I111 PolarHBondContact O-N 2.95Å; I111-I114 PolarHBondContact O-N 3.04Å; I111-K115 HydrophobicContact CG2-CD 4.24Å; I111-K115 HydrophobicContact CG2-CG 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 2.86Å
112	R	47.3	Very low	46.6	Very low	78 Å²	78	74.7 Å²	74.7	29%	0.294	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-46	173.7	-82.1	177.9	158.9	134.4	-4.7	111.5	L108 L109 F110 K115 G116 L117	L108-R112 WeakPolarHBondContact O-CB 3.32Å; L108-R112 WeakPolarHBondContact O-CG 3.24Å; L108-R112 PolarHBondContact O-N 3Å; L109-R112 WeakPolarHBondContact O-CB 3.48Å; L109-R112 PolarHBondContact O-N 3.05Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 2.92Å; R112-K115 PolarHBondContact O-N 2.71Å; R112-G116 PolarHBondContact O-N 3.12Å; R112-L117 HydrophobicContact CB-CB 4.37Å; R112-L117 HydrophobicContact CB-CD1 4.36Å; R112-L117 HydrophobicContact CG-CB 4.46Å; R112-L117 HydrophobicContact CG-CD1 3.85Å; R112-L117 PolarHBondContact O-N 3.3Å
113	A	45.4	Very low	45.6	Very low	75 Å²	75	74.8 Å²	74.8	62%	0.62	45%	0.445	S	S	*	.	H	α-helix	trans	-60.5	-44.7	176.2	0	0	0	0	0	111.5	L109 F110 K115 G116	L109-A113 PolarHBondContact O-N 2.86Å; F110-A113 WeakPolarHBondContact O-CB 3.35Å; F110-A113 PolarHBondContact O-N 2.89Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.93Å; A113-G116 PolarHBondContact O-N 3.07Å
114	I	41.3	Very low	44.3	Very low	117 Å²	117	79.9 Å²	79.9	60%	0.6	48%	0.476	S	S	*	.	H	α-helix	trans	-64.1	-38.2	177.7	-68.2	168.3	0	0	0	111.9	F110 I111 G116	F110-I114 HydrophobicContact CD1-CD1 3.57Å; F110-I114 HydrophobicContact CD1-CG1 4.37Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.2Å; F110-I114 HydrophobicContact CZ-CD1 4.15Å; F110-I114 WeakPolarHBondContact O-CG1 3.49Å; F110-I114 PolarHBondContact O-N 2.81Å; I111-I114 PolarHBondContact O-N 3.04Å; I114-G116 PolarHBondContact O-N 2.92Å
115	K	46.2	Very low	42.9	Very low	118 Å²	118	84.9 Å²	84.9	51%	0.513	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	7.7	-176.5	-72.4	-166.9	173.3	-169.9	0	114.4	I111 R112 A113 L117	I111-K115 HydrophobicContact CG2-CD 4.24Å; I111-K115 HydrophobicContact CG2-CG 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 2.86Å; R112-K115 PolarHBondContact O-N 2.71Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.93Å; K115-L117 HydrophobicContact CB-CD1 4.35Å; K115-L117 HydrophobicContact CB-CG 4.24Å; K115-L117 PolarHBondContact O-N 3.06Å
116	G	41.3	Very low	41.6	Very low	67 Å²	67	86.5 Å²	86.5	69%	0.691	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	30.8	-179.9	0	0	0	0	0	113.2	R112 A113 I114	R112-G116 PolarHBondContact O-N 3.12Å; A113-G116 PolarHBondContact O-N 3.07Å; I114-G116 PolarHBondContact O-N 2.92Å
117	L	41.8	Very low	40.1	Very low	68 Å²	68	90.7 Å²	90.7	36%	0.356	53%	0.533	S	S	.	.			trans	-76.2	130.8	-178.8	-74.8	170.6	0	0	0	110.2	L3 R112 K115 A119	L3-L117 HydrophobicContact CD1-CD2 3.56Å; R112-L117 HydrophobicContact CB-CB 4.37Å; R112-L117 HydrophobicContact CB-CD1 4.36Å; R112-L117 HydrophobicContact CG-CB 4.46Å; R112-L117 HydrophobicContact CG-CD1 3.85Å; R112-L117 PolarHBondContact O-N 3.3Å; K115-L117 HydrophobicContact CB-CD1 4.35Å; K115-L117 HydrophobicContact CB-CG 4.24Å; K115-L117 PolarHBondContact O-N 3.06Å; L117-A119 PolarHBondContact O-N 3.28Å
118	P	39.4	Very low	39	Very low	111 Å²	111	101.3 Å²	101.3	72%	0.721	58%	0.576	S	S	*	*			trans	-61.2	136.3	-170.9	21.1	-31.5	0	0	0	112.4	G120	P118-G120 PolarHBondContact O-N 3Å
119	A	44.9	Very low	38.1	Very low	111 Å²	111	105.5 Å²	105.5	92%	0.917	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	4.6	-168	0	0	0	0	0	116.5	L117	L117-A119 PolarHBondContact O-N 3.28Å
120	G	36.8	Very low	37.3	Very low	77 Å²	77	107.4 Å²	107.4	79%	0.794	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-0.5	-170.9	0	0	0	0	0	116.5	P118	P118-G120 PolarHBondContact O-N 3Å
121	M	32.1	Very low	36.7	Very low	134 Å²	134	105.7 Å²	105.7	66%	0.66	61%	0.613	S	S	*	*	S	Bend	trans	-95.6	106.2	178.1	-81.8	-173.8	160.1	0	0	111.2
122	S	31	Very low	35.9	Very low	73 Å²	73	108.8 Å²	108.8	51%	0.51	63%	0.633	S	S	.	*			trans	-56.1	131.4	178.8	-178.5	0	0	0	0	112.4	T124	S122-T124 PolarHBondContact O-N 3.11Å; S122-T124 PolarHBondContact OG-N 3.33Å; S122-T124 PolarHBondContact OG-OG1 3.23Å
123	P	32.8	Very low	35.2	Very low	70 Å²	70	110.7 Å²	110.7	46%	0.455	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-8.8	176.5	22.6	-28	0	0	0	114.7	L109	L109-P123 HydrophobicContact CD2-CB 4.44Å
124	T	27.5	Very low	34.6	Very low	110 Å²	110	113.1 Å²	113.1	68%	0.675	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	-178.8	36.7	0	0	0	0	115.1	S122 L126	S122-T124 PolarHBondContact O-N 3.11Å; S122-T124 PolarHBondContact OG-N 3.33Å; S122-T124 PolarHBondContact OG-OG1 3.23Å; T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 3.04Å
125	T	25.9	Very low	34.1	Very low	107 Å²	107	112.8 Å²	112.8	66%	0.656	66%	0.661	S	S	*	*			trans	-97.5	39.5	-175.6	-35.3	0	0	0	0	113.3
126	L	25.9	Very low	33.1	Very low	70 Å²	70	112.4 Å²	112.4	37%	0.366	67%	0.672	S	S	.	*			trans	-112.3	78.9	164.2	-77	163.4	0	0	0	107.3	V48 M105 T124	V48-L126 HydrophobicContact CG2-CD1 4.23Å; V48-L126 HydrophobicContact CG2-CD2 4.35Å; M105-L126 HydrophobicContact CE-CD1 3.62Å; M105-L126 HydrophobicContact SD-CD1 3.78Å; T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 3.04Å
127	Y	24	Very low	32.5	Very low	211 Å²	211	116.2 Å²	116.2	83%	0.827	67%	0.67	S	S	*	*			trans	-69.6	143.7	172.9	-81.9	-95.8	0	0	0	110.3
128	F	27.5	Very low	31.6	Very low	252 Å²	252	120.5 Å²	120.5	100%	1.105	70%	0.699	S	S	*	*			trans	-66.2	0	176	-70.3	-90.6	0	0	0	112.6

Retrieved 128 of 128 residues in 113.4 ms (Link to these results)

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