A0A087WNY2_MOUSE Loading...

Cysteine protease

Cysteine protease that plays a key role in autophagy by mediating both proteolytic activation and delipidation of ATG8 family proteins.

AlphaFold DB , UniProt , Accession A0A087WNY2, Species MOUSE (Mus musculus, Mouse), Gene Atg4b, Length 121 aa.

						>A0A087WNY2_MOUSE|A0A087WNY2|Atg4b
MDAATLTYDTLRFAEFEDFPETSEPVWILGRKYSIFTEKDEILSDVASRLWFTYRRNFPAIDWRWTQRKRQPDSYFNVLNAFLDRKDSYYSIHQIAQMGVGEGKSIGQWYGPNTVAQVLKK
					

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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	44.6	Very low	60.1	Low	245 Å²	245	107.4 Å²	107.4	100%	1.207	60%	0.601	S	S	*	*				0	135	0	-69.8	178.2	179.9	0	0	106.4
2	D	42.1	Very low	61.1	Low	120 Å²	120	111.3 Å²	111.3	64%	0.642	60%	0.6	S	S	*	*			trans	-92.8	126.9	176.3	-162.9	-16.1	0	0	0	109.6	A4 T5	D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 3.42Å; D2-A4 PolarHBondContact OD1-N 3Å; D2-T5 PolarHBondContact O-OG1 2.86Å
3	A	48.4	Very low	62	Low	75 Å²	75	114.6 Å²	114.6	62%	0.62	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-68.5	-27.5	-174.7	0	0	0	0	0	112.2	T5 L6	A3-T5 PolarHBondContact O-N 3.39Å; A3-L6 PolarHBondContact O-N 3.18Å
4	A	51.3	Low	63	Low	53 Å²	53	109.5 Å²	109.5	44%	0.438	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-63.3	-21.5	-175.1	0	0	0	0	0	114.6	D2 T7 Y8	D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 3.42Å; D2-A4 PolarHBondContact OD1-N 3Å; A4-T7 PolarHBondContact O-OG1 2.67Å; A4-T7 VanDerWaalsContact O-OG1 3.08Å; A4-Y8 VanDerWaalsContact O-CD2 3.22Å; A4-Y8 WeakPolarHBondContact O-CD2 2.86Å; A4-Y8 WeakPolarHBondContact O-CE2 3.1Å
5	T	53.8	Low	63.9	Low	112 Å²	112	114.3 Å²	114.3	69%	0.687	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-83	-19.3	179.5	19	0	0	0	0	114	D2 A3	D2-T5 PolarHBondContact O-OG1 2.86Å; A3-T5 PolarHBondContact O-N 3.39Å
6	L	60	Low	64.6	Low	86 Å²	86	117.4 Å²	117.4	45%	0.45	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-23.6	179.9	-79.3	160.6	0	0	0	112.9	A3 Y8 D9	A3-L6 PolarHBondContact O-N 3.18Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 2.67Å; L6-D9 PolarHBondContact O-N 2.69Å
7	T	66.3	Low	65.5	Low	99 Å²	99	121.1 Å²	121.1	61%	0.607	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-16.3	-178.1	51.8	0	0	0	0	113.9	A4	A4-T7 PolarHBondContact O-OG1 2.67Å; A4-T7 VanDerWaalsContact O-OG1 3.08Å
8	Y	68.7	Low	66.3	Low	134 Å²	134	120.4 Å²	120.4	53%	0.525	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-7.3	173.9	-66.3	-85.7	0	0	0	113.6	A4 L6 T10 W109	A4-Y8 VanDerWaalsContact O-CD2 3.22Å; A4-Y8 WeakPolarHBondContact O-CD2 2.86Å; A4-Y8 WeakPolarHBondContact O-CE2 3.1Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 2.67Å; Y8-T10 PolarHBondContact O-N 3.28Å; Y8-W109 HydrophobicContact CD1-CZ2 4.28Å; Y8-W109 HydrophobicContact CE1-CZ2 4.29Å
9	D	72.6	Confident	67.2	Low	67 Å²	67	118.1 Å²	118.1	36%	0.358	61%	0.608	S	S	.	*			trans	-82	56.3	173.3	-169.1	14	0	0	0	110.1	L6 L11 R12	L6-D9 PolarHBondContact O-N 2.69Å; D9-L11 VanDerWaalsContact C-N 3.27Å; D9-L11 PolarHBondContact O-N 3.36Å; D9-R12 HydrophobicContact CB-CB 4.45Å; D9-R12 VanDerWaalsContact O-CB 3.23Å; D9-R12 WeakPolarHBondContact O-CB 3.44Å; D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 VanDerWaalsContact O-N 3.11Å; D9-R12 WeakPolarHBondContact OD2-CD 3.09Å
10	T	77.8	Confident	68.2	Low	96 Å²	96	116.8 Å²	116.8	59%	0.589	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-65.9	-30.1	-173.5	53.8	0	0	0	0	112.6	Y8 R12 F13 A14	Y8-T10 PolarHBondContact O-N 3.28Å; T10-R12 PolarHBondContact O-N 3.44Å; T10-F13 PolarHBondContact O-N 2.93Å; T10-F13 VanDerWaalsContact O-N 3.09Å; T10-A14 PolarHBondContact O-N 3.34Å; T10-A14 VanDerWaalsContact O-N 3.14Å
11	L	75.5	Confident	69.1	Low	94 Å²	94	118.7 Å²	118.7	49%	0.492	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-60.5	-24.6	173.6	-69.3	176.3	0	0	0	113.1	D9 F13 F16 W51	D9-L11 VanDerWaalsContact C-N 3.27Å; D9-L11 PolarHBondContact O-N 3.36Å; L11-F13 PolarHBondContact O-N 3.23Å; L11-F16 VanDerWaalsContact O-CZ 3.28Å; L11-F16 WeakPolarHBondContact O-CZ 3.07Å; L11-W51 HydrophobicContact CD1-CZ2 4.11Å
12	R	72.4	Confident	71.4	Confident	155 Å²	155	110 Å²	110	59%	0.585	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-67.6	-24.3	176	-178.4	175.6	177.1	167.9	0	113.6	D9 T10	D9-R12 HydrophobicContact CB-CB 4.45Å; D9-R12 VanDerWaalsContact O-CB 3.23Å; D9-R12 WeakPolarHBondContact O-CB 3.44Å; D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 VanDerWaalsContact O-N 3.11Å; D9-R12 WeakPolarHBondContact OD2-CD 3.09Å; T10-R12 PolarHBondContact O-N 3.44Å
13	F	73	Confident	73.8	Confident	154 Å²	154	109.2 Å²	109.2	68%	0.675	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-118.5	8.4	-176.5	-53.2	-76.2	0	0	0	112.4	T10 L11	T10-F13 PolarHBondContact O-N 2.93Å; T10-F13 VanDerWaalsContact O-N 3.09Å; L11-F13 PolarHBondContact O-N 3.23Å
14	A	76.1	Confident	76	Confident	43 Å²	43	112 Å²	112	36%	0.355	58%	0.579	S	S	.	*			trans	-70.7	143.1	172.2	0	0	0	0	0	110.1	T10 F16	T10-A14 PolarHBondContact O-N 3.34Å; T10-A14 VanDerWaalsContact O-N 3.14Å; A14-F16 HydrophobicContact CB-CE2 4.44Å; A14-F16 HydrophobicContact CB-CZ 4.39Å; A14-F16 VanDerWaalsContact O-CD2 3.28Å; A14-F16 WeakPolarHBondContact O-CD2 3.24Å; A14-F16 WeakPolarHBondContact O-CE2 3.46Å
15	E	75.9	Confident	78.1	Confident	182 Å²	182	111.4 Å²	111.4	85%	0.85	57%	0.571	S	S	*	*			trans	-76	132.6	164.9	-65.8	-177.2	162.3	0	0	108.5
16	F	75.3	Confident	80.1	Confident	164 Å²	164	107.5 Å²	107.5	72%	0.719	55%	0.546	S	S	*	.			trans	-105.6	95.9	-179.7	-66.9	-85.3	0	0	0	108.6	L11 A14	L11-F16 VanDerWaalsContact O-CZ 3.28Å; L11-F16 WeakPolarHBondContact O-CZ 3.07Å; A14-F16 HydrophobicContact CB-CE2 4.44Å; A14-F16 HydrophobicContact CB-CZ 4.39Å; A14-F16 VanDerWaalsContact O-CD2 3.28Å; A14-F16 WeakPolarHBondContact O-CD2 3.24Å; A14-F16 WeakPolarHBondContact O-CE2 3.46Å
17	E	79.7	Confident	81.7	Confident	180 Å²	180	111 Å²	111	84%	0.841	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-78.6	145.1	168.2	-64.4	-169.5	153.6	0	0	110.4
18	D	80.8	Confident	83	Confident	108 Å²	108	107.3 Å²	107.3	58%	0.578	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-78	161.9	173	-151.4	9.1	0	0	0	109.9	K39	D18-K39 IonicContact OD1-NZ 2.69Å; D18-K39 IonicContact OD2-NZ 2.6Å; D18-K39 PolarHBondContact OD2-NZ 2.96Å
19	F	82.4	Confident	84.1	Confident	76 Å²	76	107.9 Å²	107.9	33%	0.333	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-57.5	133	-177.9	-79.8	-83.4	0	0	0	112.2	E21 V26 I35 I42 L43	F19-E21 PolarHBondContact O-N 3.08Å; F19-V26 HydrophobicContact CE1-CG1 4.41Å; F19-I35 HydrophobicContact CB-CD1 3.55Å; F19-I35 HydrophobicContact CB-CG1 4.09Å; F19-I35 HydrophobicContact CG-CD1 4.09Å; F19-I42 HydrophobicContact CD2-CG2 4.27Å; F19-I42 HydrophobicContact CE1-CG2 4.31Å; F19-I42 HydrophobicContact CE2-CG2 3.67Å; F19-I42 HydrophobicContact CZ-CG2 3.69Å; F19-L43 HydrophobicContact CE2-CD2 4.32Å
20	P	87.6	Confident	85	Confident	93 Å²	93	107.9 Å²	107.9	60%	0.604	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.2	-179.2	28.6	-35.2	0	0	0	111.1	T22	P20-T22 HydrophobicContact CB-CG2 4.19Å; P20-T22 PolarHBondContact O-N 2.75Å
21	E	87.4	Confident	85.7	Confident	156 Å²	156	110.6 Å²	110.6	73%	0.729	56%	0.556	S	S	*	*			trans	-70.6	92.8	178.6	-69.2	-174	-172.3	0	0	110.8	F19 F36	F19-E21 PolarHBondContact O-N 3.08Å; E21-F36 HydrophobicContact CB-CE1 3.99Å
22	T	92.8	Very high	86.7	Confident	62 Å²	62	112.2 Å²	112.2	38%	0.38	56%	0.56	S	S	.	*			trans	-135.3	157.8	-176.3	65.6	0	0	0	0	111.4	P20 E24 I35 F36	P20-T22 HydrophobicContact CB-CG2 4.19Å; P20-T22 PolarHBondContact O-N 2.75Å; T22-E24 PolarHBondContact O-N 3.33Å; T22-I35 VanDerWaalsContact O-CG2 3.26Å; T22-I35 WeakPolarHBondContact O-CG2 3.48Å; T22-F36 VanDerWaalsContact C-CE2 3.47Å; T22-F36 WeakPolarHBondContact O-CE2 3.09Å
23	S	91.9	Very high	87.8	Confident	105 Å²	105	106 Å²	106	73%	0.734	54%	0.536	S	S	*	.	S	Bend	trans	-71.7	-8.1	172.8	53	0	0	0	0	114
24	E	95.5	Very high	88.9	Confident	132 Å²	132	100.6 Å²	100.6	62%	0.617	52%	0.518	S	S	*	.	S	Bend	trans	-75.4	138.4	179.6	-68.2	-53	127.6	0	0	110.9	T22	T22-E24 PolarHBondContact O-N 3.33Å
25	P	95.8	Very high	89.7	Confident	42 Å²	42	99 Å²	99	27%	0.273	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-76.8	136.2	-175.6	30.9	-35.3	0	0	0	112.3	K32 Y33	P25-K32 HydrophobicContact CB-CD 4.1Å; P25-K32 HydrophobicContact CB-CG 3.7Å; P25-Y33 CarbonylContact C-O 3.47Å; P25-Y33 WeakPolarHBondContact CA-O 3.45Å
26	V	95.3	Very high	90.6	Very high	29 Å²	29	96.3 Å²	96.3	18%	0.176	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.4	171.5	179.4	0	0	0	0	108.6	F19 I28 Y33 I35 I42	F19-V26 HydrophobicContact CE1-CG1 4.41Å; V26-I28 HydrophobicContact CG1-CD1 4.34Å; V26-I28 HydrophobicContact CG1-CG1 4.22Å; V26-Y33 PolarHBondContact N-O 3.03Å; V26-Y33 PolarHBondContact O-N 3.49Å; V26-I35 HydrophobicContact CG2-CB 4.44Å; V26-I42 HydrophobicContact CB-CD1 3.94Å; V26-I42 HydrophobicContact CB-CG1 4.42Å; V26-I42 HydrophobicContact CG1-CD1 4.22Å; V26-I42 HydrophobicContact CG1-CG1 4.28Å; V26-I42 HydrophobicContact CG1-CG2 4.35Å; V26-I42 HydrophobicContact CG2-CD1 3.98Å
27	W	93.1	Very high	91.5	Very high	159 Å²	159	93.4 Å²	93.4	60%	0.602	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.4	178.2	-73.4	90.7	0	0	0	111.6	R31 K32	W27-R31 CarbonylContact C-O 3.46Å; W27-R31 VanDerWaalsContact CA-O 3.27Å; W27-R31 WeakPolarHBondContact CA-O 3.44Å; W27-K32 HydrophobicContact CD2-CB 4.06Å; W27-K32 HydrophobicContact CD2-CG 4.17Å; W27-K32 HydrophobicContact CE3-CB 3.89Å; W27-K32 HydrophobicContact CE3-CG 4.49Å; W27-K32 HydrophobicContact CH2-CB 3.8Å; W27-K32 HydrophobicContact CH2-CD 4.14Å; W27-K32 HydrophobicContact CH2-CG 4.13Å; W27-K32 HydrophobicContact CZ2-CB 3.94Å; W27-K32 HydrophobicContact CZ2-CD 3.73Å; W27-K32 HydrophobicContact CZ2-CG 3.76Å; W27-K32 HydrophobicContact CZ3-CB 3.76Å; W27-K32 HydrophobicContact CZ3-CG 4.47Å
28	I	94	Very high	92.2	Very high	23 Å²	23	87.9 Å²	87.9	12%	0.118	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.6	176.9	-56	168.2	0	0	0	108.3	V26 G30 R31 Y33 I42 D45 V46	V26-I28 HydrophobicContact CG1-CD1 4.34Å; V26-I28 HydrophobicContact CG1-CG1 4.22Å; I28-G30 PolarHBondContact O-N 3.22Å; I28-R31 PolarHBondContact N-O 3.4Å; I28-R31 WeakPolarHBondContact O-CB 3.3Å; I28-R31 PolarHBondContact O-N 3.48Å; I28-Y33 HydrophobicContact CB-CE2 4.17Å; I28-Y33 HydrophobicContact CD1-CD2 4.21Å; I28-Y33 HydrophobicContact CD1-CE2 4.12Å; I28-Y33 HydrophobicContact CG1-CD2 4.45Å; I28-Y33 HydrophobicContact CG1-CE2 4.4Å; I28-I42 HydrophobicContact CD1-CG2 4.21Å; I28-D45 HydrophobicContact CD1-CB 4.29Å; I28-D45 VanDerWaalsContact CG2-OD2 3.29Å; I28-D45 WeakPolarHBondContact CG2-OD2 3.33Å; I28-V46 HydrophobicContact CD1-CG2 3.79Å
29	L	91.3	Very high	92.8	Very high	146 Å²	146	85.8 Å²	85.8	76%	0.764	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	39.9	175.2	-57.8	178.1	0	0	0	114.8
30	G	92.6	Very high	93.2	Very high	66 Å²	66	88.2 Å²	88.2	68%	0.68	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-1.1	179.7	0	0	0	0	0	115.4	I28	I28-G30 PolarHBondContact O-N 3.22Å
31	R	92.3	Very high	93.4	Very high	153 Å²	153	88.5 Å²	88.5	58%	0.577	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.2	168.1	-61.5	-178.2	172	-164.6	-6.1	110.3	W27 I28 Y33	W27-R31 CarbonylContact C-O 3.46Å; W27-R31 VanDerWaalsContact CA-O 3.27Å; W27-R31 WeakPolarHBondContact CA-O 3.44Å; I28-R31 PolarHBondContact N-O 3.4Å; I28-R31 WeakPolarHBondContact O-CB 3.3Å; I28-R31 PolarHBondContact O-N 3.48Å; R31-Y33 HydrophobicContact CB-CD2 4.42Å; R31-Y33 HydrophobicContact CB-CE2 3.57Å; R31-Y33 VanDerWaalsContact CD-OH 3.25Å; R31-Y33 WeakPolarHBondContact CD-OH 3.35Å
32	K	96	Very high	93.6	Very high	129 Å²	129	81.1 Å²	81.1	56%	0.561	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.8	-178.9	-171.2	-170.5	178.5	-175.4	0	109	P25 W27	P25-K32 HydrophobicContact CB-CD 4.1Å; P25-K32 HydrophobicContact CB-CG 3.7Å; W27-K32 HydrophobicContact CD2-CB 4.06Å; W27-K32 HydrophobicContact CD2-CG 4.17Å; W27-K32 HydrophobicContact CE3-CB 3.89Å; W27-K32 HydrophobicContact CE3-CG 4.49Å; W27-K32 HydrophobicContact CH2-CB 3.8Å; W27-K32 HydrophobicContact CH2-CD 4.14Å; W27-K32 HydrophobicContact CH2-CG 4.13Å; W27-K32 HydrophobicContact CZ2-CB 3.94Å; W27-K32 HydrophobicContact CZ2-CD 3.73Å; W27-K32 HydrophobicContact CZ2-CG 3.76Å; W27-K32 HydrophobicContact CZ3-CB 3.76Å; W27-K32 HydrophobicContact CZ3-CG 4.47Å
33	Y	95.1	Very high	93.4	Very high	23 Å²	23	81.9 Å²	81.9	9%	0.09	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.7	-179.5	-58.9	-83.1	0	0	0	111.4	P25 V26 I28 R31 E38 E41 I42 D45	P25-Y33 CarbonylContact C-O 3.47Å; P25-Y33 WeakPolarHBondContact CA-O 3.45Å; V26-Y33 PolarHBondContact N-O 3.03Å; V26-Y33 PolarHBondContact O-N 3.49Å; I28-Y33 HydrophobicContact CB-CE2 4.17Å; I28-Y33 HydrophobicContact CD1-CD2 4.21Å; I28-Y33 HydrophobicContact CD1-CE2 4.12Å; I28-Y33 HydrophobicContact CG1-CD2 4.45Å; I28-Y33 HydrophobicContact CG1-CE2 4.4Å; R31-Y33 HydrophobicContact CB-CD2 4.42Å; R31-Y33 HydrophobicContact CB-CE2 3.57Å; R31-Y33 VanDerWaalsContact CD-OH 3.25Å; R31-Y33 WeakPolarHBondContact CD-OH 3.35Å; Y33-E38 WeakPolarHBondContact CA-OE2 3.03Å; Y33-E38 HydrophobicContact CD1-CB 4.18Å; Y33-E41 HydrophobicContact CD1-CB 4.23Å; Y33-E41 HydrophobicContact CE1-CB 4.02Å; Y33-I42 VanDerWaalsContact CB-CG1 3.5Å; Y33-I42 HydrophobicContact CD1-CG1 4.31Å; Y33-I42 HydrophobicContact CD2-CG1 4.18Å; Y33-I42 HydrophobicContact CG-CG1 3.76Å; Y33-D45 PolarHBondContact OH-OD2 3.29Å
34	S	95.5	Very high	93.2	Very high	41 Å²	41	80.6 Å²	80.6	29%	0.287	41%	0.412	S	S	.	.			trans	-106.2	119.9	172.5	158.6	0	0	0	0	110	F36 T37 E38	S34-F36 PolarHBondContact O-N 3.42Å; S34-T37 WeakPolarHBondContact CB-OG1 3.4Å; S34-T37 PolarHBondContact O-N 2.6Å; S34-T37 VanDerWaalsContact O-N 3.15Å; S34-T37 PolarHBondContact OG-OG1 3.17Å; S34-E38 PolarHBondContact N-OE2 2.82Å; S34-E38 WeakPolarHBondContact O-CB 3.05Å; S34-E38 PolarHBondContact O-N 3.11Å
35	I	94.4	Very high	92.9	Very high	9 Å²	9	74.7 Å²	74.7	5%	0.046	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.4	-176.3	-171.5	57.4	0	0	0	113.4	F19 T22 V26 T37 K39 I42	F19-I35 HydrophobicContact CB-CD1 3.55Å; F19-I35 HydrophobicContact CB-CG1 4.09Å; F19-I35 HydrophobicContact CG-CD1 4.09Å; T22-I35 VanDerWaalsContact O-CG2 3.26Å; T22-I35 WeakPolarHBondContact O-CG2 3.48Å; V26-I35 HydrophobicContact CG2-CB 4.44Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.37Å; I35-K39 HydrophobicContact CD1-CB 4.21Å; I35-K39 HydrophobicContact CD1-CD 4.23Å; I35-K39 HydrophobicContact CD1-CG 3.96Å; I35-I42 HydrophobicContact CD1-CD1 3.93Å
36	F	93.8	Very high	92.5	Very high	126 Å²	126	76.2 Å²	76.2	55%	0.553	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.4	179.2	-60.6	-62.5	0	0	0	114.3	E21 T22 S34	E21-F36 HydrophobicContact CB-CE1 3.99Å; T22-F36 VanDerWaalsContact C-CE2 3.47Å; T22-F36 WeakPolarHBondContact O-CE2 3.09Å; S34-F36 PolarHBondContact O-N 3.42Å
37	T	95.1	Very high	92	Very high	103 Å²	103	79 Å²	79	63%	0.632	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-19.8	-168.6	50.1	0	0	0	0	113.9	S34 I35	S34-T37 WeakPolarHBondContact CB-OG1 3.4Å; S34-T37 PolarHBondContact O-N 2.6Å; S34-T37 VanDerWaalsContact O-N 3.15Å; S34-T37 PolarHBondContact OG-OG1 3.17Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.37Å
38	E	94.8	Very high	91.6	Very high	65 Å²	65	74.7 Å²	74.7	30%	0.304	41%	0.413	S	S	.	.			trans	-129.9	29.2	-170.5	-61.8	171.3	106.6	0	0	111.6	Y33 S34 D40 E41 I42	Y33-E38 WeakPolarHBondContact CA-OE2 3.03Å; Y33-E38 HydrophobicContact CD1-CB 4.18Å; S34-E38 PolarHBondContact N-OE2 2.82Å; S34-E38 WeakPolarHBondContact O-CB 3.05Å; S34-E38 PolarHBondContact O-N 3.11Å; E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 2.91Å; E38-E41 WeakPolarHBondContact CA-OE2 3.22Å; E38-E41 HydrophobicContact CB-CB 4.25Å; E38-E41 PolarHBondContact O-N 3.06Å; E38-I42 VanDerWaalsContact O-CG1 3.27Å; E38-I42 WeakPolarHBondContact O-CG1 3.15Å; E38-I42 PolarHBondContact O-N 2.77Å
39	K	92.4	Very high	91.3	Very high	64 Å²	64	79 Å²	79	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-39.7	-178	-173	169.4	-179.7	172.8	0	112.1	D18 I35 I42 L43	D18-K39 IonicContact OD1-NZ 2.69Å; D18-K39 IonicContact OD2-NZ 2.6Å; D18-K39 PolarHBondContact OD2-NZ 2.96Å; I35-K39 HydrophobicContact CD1-CB 4.21Å; I35-K39 HydrophobicContact CD1-CD 4.23Å; I35-K39 HydrophobicContact CD1-CG 3.96Å; K39-I42 PolarHBondContact O-N 3.49Å; K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 VanDerWaalsContact O-CG 3.32Å; K39-L43 WeakPolarHBondContact O-CG 3.35Å; K39-L43 PolarHBondContact O-N 3.09Å
40	D	90.9	Very high	90.8	Very high	126 Å²	126	75.1 Å²	75.1	67%	0.674	41%	0.408	S	S	*	.	H	α-helix	trans	-69.5	-37.1	178.5	-72.3	-19.7	0	0	0	111.4	E38 L43 S44	E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 2.91Å; D40-L43 PolarHBondContact O-N 3.33Å; D40-S44 WeakPolarHBondContact O-CB 3.39Å; D40-S44 PolarHBondContact O-N 3.24Å
41	E	91.8	Very high	90.5	Very high	100 Å²	100	81 Å²	81	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-66.1	-41.4	174	-68.7	76	-175.3	0	0	111.9	Y33 E38 S44 D45	Y33-E41 HydrophobicContact CD1-CB 4.23Å; Y33-E41 HydrophobicContact CE1-CB 4.02Å; E38-E41 WeakPolarHBondContact CA-OE2 3.22Å; E38-E41 HydrophobicContact CB-CB 4.25Å; E38-E41 PolarHBondContact O-N 3.06Å; E41-S44 PolarHBondContact O-N 3.13Å; E41-D45 WeakPolarHBondContact O-CB 3.34Å; E41-D45 PolarHBondContact O-N 2.67Å
42	I	90.6	Very high	90.2	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-58.3	-51.9	172.6	-73.1	162.7	0	0	0	110	F19 V26 I28 Y33 I35 E38 K39 S44 D45 V46	F19-I42 HydrophobicContact CD2-CG2 4.27Å; F19-I42 HydrophobicContact CE1-CG2 4.31Å; F19-I42 HydrophobicContact CE2-CG2 3.67Å; F19-I42 HydrophobicContact CZ-CG2 3.69Å; V26-I42 HydrophobicContact CB-CD1 3.94Å; V26-I42 HydrophobicContact CB-CG1 4.42Å; V26-I42 HydrophobicContact CG1-CD1 4.22Å; V26-I42 HydrophobicContact CG1-CG1 4.28Å; V26-I42 HydrophobicContact CG1-CG2 4.35Å; V26-I42 HydrophobicContact CG2-CD1 3.98Å; I28-I42 HydrophobicContact CD1-CG2 4.21Å; Y33-I42 VanDerWaalsContact CB-CG1 3.5Å; Y33-I42 HydrophobicContact CD1-CG1 4.31Å; Y33-I42 HydrophobicContact CD2-CG1 4.18Å; Y33-I42 HydrophobicContact CG-CG1 3.76Å; I35-I42 HydrophobicContact CD1-CD1 3.93Å; E38-I42 VanDerWaalsContact O-CG1 3.27Å; E38-I42 WeakPolarHBondContact O-CG1 3.15Å; E38-I42 PolarHBondContact O-N 2.77Å; K39-I42 PolarHBondContact O-N 3.49Å; I42-S44 VanDerWaalsContact C-N 3.32Å; I42-S44 PolarHBondContact O-N 3.4Å; I42-D45 PolarHBondContact O-N 3.16Å; I42-V46 WeakPolarHBondContact O-CG2 3.36Å; I42-V46 PolarHBondContact O-N 3.24Å
43	L	90.1	Very high	89.8	Confident	78 Å²	78	75.2 Å²	75.2	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-39.9	179.8	-69.9	173.1	0	0	0	111.7	F19 K39 D40 A47	F19-L43 HydrophobicContact CE2-CD2 4.32Å; K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 VanDerWaalsContact O-CG 3.32Å; K39-L43 WeakPolarHBondContact O-CG 3.35Å; K39-L43 PolarHBondContact O-N 3.09Å; D40-L43 PolarHBondContact O-N 3.33Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.43Å
44	S	87	Confident	89.2	Confident	78 Å²	78	81.9 Å²	81.9	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-40.5	176.9	-170.3	0	0	0	0	112.8	D40 E41 I42 S48	D40-S44 WeakPolarHBondContact O-CB 3.39Å; D40-S44 PolarHBondContact O-N 3.24Å; E41-S44 PolarHBondContact O-N 3.13Å; I42-S44 VanDerWaalsContact C-N 3.32Å; I42-S44 PolarHBondContact O-N 3.4Å; S44-S48 VanDerWaalsContact O-CB 3.23Å; S44-S48 WeakPolarHBondContact O-CB 3.4Å; S44-S48 PolarHBondContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 3.3Å
45	D	88.7	Confident	88.6	Confident	8 Å²	8	87 Å²	87	4%	0.043	43%	0.432	C	S	.	.	H	α-helix	trans	-67.3	-41.9	177.2	-160.1	31.2	0	0	0	110.9	I28 Y33 E41 I42 S48 R49	I28-D45 HydrophobicContact CD1-CB 4.29Å; I28-D45 VanDerWaalsContact CG2-OD2 3.29Å; I28-D45 WeakPolarHBondContact CG2-OD2 3.33Å; Y33-D45 PolarHBondContact OH-OD2 3.29Å; E41-D45 WeakPolarHBondContact O-CB 3.34Å; E41-D45 PolarHBondContact O-N 2.67Å; I42-D45 PolarHBondContact O-N 3.16Å; D45-S48 WeakPolarHBondContact CA-OG 3.16Å; D45-S48 PolarHBondContact O-OG 2.6Å; D45-R49 WeakPolarHBondContact O-CG 3.31Å; D45-R49 PolarHBondContact O-NE 3.38Å; D45-R49 PolarHBondContact O-NH2 3.07Å; D45-R49 IonicContact OD1-CZ 3.39Å; D45-R49 IonicContact OD1-NE 2.67Å; D45-R49 IonicContact OD1-NH1 2.86Å; D45-R49 IonicContact OD1-NH2 3.66Å; D45-R49 PolarHBondContact OD1-NH2 2.79Å
46	V	88.8	Confident	87.8	Confident	75 Å²	75	96.3 Å²	96.3	46%	0.455	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-51.8	173.1	175.2	0	0	0	0	111.6	I28 I42 S48 R49	I28-V46 HydrophobicContact CD1-CG2 3.79Å; I42-V46 WeakPolarHBondContact O-CG2 3.36Å; I42-V46 PolarHBondContact O-N 3.24Å; V46-S48 PolarHBondContact O-N 3.38Å; V46-R49 WeakPolarHBondContact O-CB 3.49Å; V46-R49 WeakPolarHBondContact O-CG 3.36Å; V46-R49 PolarHBondContact O-N 2.91Å; V46-R49 VanDerWaalsContact O-N 3.09Å
47	A	84.4	Confident	86.9	Confident	86 Å²	86	97.6 Å²	97.6	71%	0.711	48%	0.48	S	S	*	.	H	α-helix	trans	-67.2	-22.5	-176.2	0	0	0	0	0	113.8	L43 R49	L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.43Å; A47-R49 VanDerWaalsContact C-N 3.32Å
48	S	84.8	Confident	85.8	Confident	69 Å²	69	96.5 Å²	96.5	48%	0.483	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.2	174.7	57.5	0	0	0	0	114.2	S44 D45 V46	S44-S48 VanDerWaalsContact O-CB 3.23Å; S44-S48 WeakPolarHBondContact O-CB 3.4Å; S44-S48 PolarHBondContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 3.3Å; D45-S48 WeakPolarHBondContact CA-OG 3.16Å; D45-S48 PolarHBondContact O-OG 2.6Å; V46-S48 PolarHBondContact O-N 3.38Å
49	R	87	Confident	84.3	Confident	113 Å²	113	95.1 Å²	95.1	43%	0.426	46%	0.463	S	S	.	.	S	Bend	trans	-73.4	144.7	174	-56.4	-50.5	91.4	168.1	8.1	110.7	D45 V46 A47 W51	D45-R49 WeakPolarHBondContact O-CG 3.31Å; D45-R49 PolarHBondContact O-NE 3.38Å; D45-R49 PolarHBondContact O-NH2 3.07Å; D45-R49 IonicContact OD1-CZ 3.39Å; D45-R49 IonicContact OD1-NE 2.67Å; D45-R49 IonicContact OD1-NH1 2.86Å; D45-R49 IonicContact OD1-NH2 3.66Å; D45-R49 PolarHBondContact OD1-NH2 2.79Å; V46-R49 WeakPolarHBondContact O-CB 3.49Å; V46-R49 WeakPolarHBondContact O-CG 3.36Å; V46-R49 PolarHBondContact O-N 2.91Å; V46-R49 VanDerWaalsContact O-N 3.09Å; A47-R49 VanDerWaalsContact C-N 3.32Å; R49-W51 PolarHBondContact O-N 2.95Å; R49-W51 VanDerWaalsContact O-N 3.12Å
50	L	79.9	Confident	82.9	Confident	66 Å²	66	96.8 Å²	96.8	35%	0.346	49%	0.489	S	S	.	.			trans	-71.7	107	172.4	-69.5	177.5	0	0	0	109.9	F52 Y75 V78 L79	L50-F52 HydrophobicContact CB-CE2 3.78Å; L50-F52 HydrophobicContact CB-CZ 3.85Å; L50-F52 HydrophobicContact CD1-CZ 4.23Å; L50-Y75 HydrophobicContact CD2-CE2 4.1Å; L50-V78 HydrophobicContact CD1-CG1 3.76Å; L50-L79 HydrophobicContact CD2-CD1 4.24Å
51	W	86.9	Confident	81.7	Confident	189 Å²	189	94.9 Å²	94.9	72%	0.716	48%	0.478	S	S	*	.			trans	-97.4	117	179.7	-172.6	40.7	0	0	0	111.5	L11 R49 T53	L11-W51 HydrophobicContact CD1-CZ2 4.11Å; R49-W51 PolarHBondContact O-N 2.95Å; R49-W51 VanDerWaalsContact O-N 3.12Å; W51-T53 HydrophobicContact CD2-CG2 3.66Å; W51-T53 HydrophobicContact CE3-CG2 4.1Å; W51-T53 HydrophobicContact CG-CG2 4.25Å; W51-T53 HydrophobicContact CH2-CG2 3.87Å; W51-T53 HydrophobicContact CZ2-CG2 3.38Å; W51-T53 HydrophobicContact CZ3-CG2 4.2Å
52	F	85.4	Confident	79.5	Confident	109 Å²	109	95.4 Å²	95.4	48%	0.478	48%	0.484	S	S	.	.			trans	-105.9	123.1	176.7	-56.5	-72.8	0	0	0	109.5	L50 F82	L50-F52 HydrophobicContact CB-CE2 3.78Å; L50-F52 HydrophobicContact CB-CZ 3.85Å; L50-F52 HydrophobicContact CD1-CZ 4.23Å; F52-F82 HydrophobicContact CD1-CB 4.36Å; F52-F82 HydrophobicContact CE1-CB 3.39Å; F52-F82 HydrophobicContact CE1-CG 4.14Å; F52-F82 HydrophobicContact CE2-CB 4.3Å; F52-F82 HydrophobicContact CE2-CD1 4.26Å; F52-F82 HydrophobicContact CE2-CG 4.16Å; F52-F82 HydrophobicContact CZ-CB 3.35Å; F52-F82 HydrophobicContact CZ-CD1 4.09Å; F52-F82 HydrophobicContact CZ-CD2 4.02Å; F52-F82 AromaticContact CZ-CG 3.57Å; F52-F82 HydrophobicContact CZ-CG 3.57Å
53	T	87.4	Confident	77.3	Confident	52 Å²	52	105 Å²	105	32%	0.319	52%	0.52	S	S	.	.			trans	-123	169.3	180	56.8	0	0	0	0	110.1	W51 R55	W51-T53 HydrophobicContact CD2-CG2 3.66Å; W51-T53 HydrophobicContact CE3-CG2 4.1Å; W51-T53 HydrophobicContact CG-CG2 4.25Å; W51-T53 HydrophobicContact CH2-CG2 3.87Å; W51-T53 HydrophobicContact CZ2-CG2 3.38Å; W51-T53 HydrophobicContact CZ3-CG2 4.2Å; T53-R55 PolarHBondContact O-N 3.11Å; T53-R55 VanDerWaalsContact O-N 3.13Å
54	Y	83.7	Confident	74.9	Confident	162 Å²	162	108.9 Å²	108.9	64%	0.635	53%	0.529	S	S	*	.			trans	-54.6	122.3	170.5	-65.7	-54.9	0	0	0	110.7	W109	Y54-W109 WeakPolarHBondContact OH-CH2 3.44Å
55	R	82.6	Confident	72.8	Confident	148 Å²	148	113 Å²	113	56%	0.558	53%	0.533	S	S	*	.			trans	-98.5	164.7	170.7	-60.2	-52.6	-172.9	178.3	-4.7	110	T53 F58 D84	T53-R55 PolarHBondContact O-N 3.11Å; T53-R55 VanDerWaalsContact O-N 3.13Å; R55-F58 HydrophobicContact CB-CD1 3.71Å; R55-F58 HydrophobicContact CB-CE1 4.16Å; R55-F58 WeakPolarHBondContact O-CE1 3.16Å; R55-D84 VanDerWaalsContact CG-OD2 3.3Å; R55-D84 WeakPolarHBondContact CG-OD2 3.27Å
56	R	78.6	Confident	70.4	Confident	205 Å²	205	119.1 Å²	119.1	77%	0.774	57%	0.571	S	S	*	*			trans	-149.4	160	174	64.7	178.4	-176.8	169.4	0.8	108.3	F58	R56-F58 PolarHBondContact O-N 2.84Å; R56-F58 VanDerWaalsContact O-N 3.08Å
57	N	74.6	Confident	69.1	Low	154 Å²	154	120.5 Å²	120.5	82%	0.824	57%	0.573	S	S	*	*	S	Bend	trans	56.9	17.8	-174.3	-47.1	-21.3	0	0	0	113.2
58	F	71.4	Confident	67.2	Low	79 Å²	79	128 Å²	128	35%	0.346	58%	0.582	S	S	.	*	S	Bend	trans	-65.1	153.4	156.1	55.9	-98.1	0	0	0	107.8	R55 R56 A60 D84	R55-F58 HydrophobicContact CB-CD1 3.71Å; R55-F58 HydrophobicContact CB-CE1 4.16Å; R55-F58 WeakPolarHBondContact O-CE1 3.16Å; R56-F58 PolarHBondContact O-N 2.84Å; R56-F58 VanDerWaalsContact O-N 3.08Å; F58-A60 PolarHBondContact O-N 3.35Å; F58-D84 HydrophobicContact CB-CB 4.02Å; F58-D84 HydrophobicContact CG-CB 4.34Å
59	P	62.3	Low	65.9	Low	36 Å²	36	133.9 Å²	133.9	23%	0.234	60%	0.599	C	S	.	*			trans	-57.7	138.8	-177.2	-19.7	30.9	0	0	0	110.5	I61 D62 W63	P59-I61 PolarHBondContact O-N 3.41Å; P59-D62 WeakPolarHBondContact CB-O 3.3Å; P59-W63 WeakPolarHBondContact CB-O 3.19Å
60	A	63.8	Low	64.6	Low	100 Å²	100	137.6 Å²	137.6	83%	0.826	61%	0.613	S	S	*	*	S	Bend	trans	-71.1	68.3	-172.1	0	0	0	0	0	111.8	F58 D62	F58-A60 PolarHBondContact O-N 3.35Å; A60-D62 PolarHBondContact O-N 3.38Å
61	I	66.7	Low	64.2	Low	85 Å²	85	139.9 Å²	139.9	44%	0.436	62%	0.622	S	S	.	*	S	Bend	trans	49.6	42	-165.7	-48	-161.9	0	0	0	110	P59 K86	P59-I61 PolarHBondContact O-N 3.41Å; I61-K86 VanDerWaalsContact C-CE 3.45Å; I61-K86 WeakPolarHBondContact O-CE 3.38Å; I61-K86 PolarHBondContact O-NZ 3.48Å
62	D	44.3	Very low	63.5	Low	112 Å²	112	134.5 Å²	134.5	60%	0.599	61%	0.612	S	S	*	*	S	Bend	trans	-178.8	120.9	162.7	-113.3	-5.2	0	0	0	116.1	P59 A60 K86	P59-D62 WeakPolarHBondContact CB-O 3.3Å; A60-D62 PolarHBondContact O-N 3.38Å; D62-K86 IonicContact OD1-NZ 3.54Å; D62-K86 PolarHBondContact OD1-NZ 3.4Å; D62-K86 IonicContact OD2-NZ 3.21Å
63	W	44.3	Very low	62.9	Low	200 Å²	200	133.7 Å²	133.7	76%	0.758	61%	0.612	S	S	*	*			trans	51.4	137.2	157.1	171.3	-71.5	0	0	0	122	P59	P59-W63 WeakPolarHBondContact CB-O 3.19Å
64	R	39.4	Very low	62.4	Low	161 Å²	161	135.3 Å²	135.3	61%	0.608	63%	0.626	S	S	*	*			cis	-152	-129.7	-15.8	-103.2	-161.2	-175.5	176.1	-0.2	110.8
65	W	43.8	Very low	61.9	Low	163 Å²	163	132.6 Å²	132.6	62%	0.617	62%	0.615	S	S	*	*			trans	-169.5	157.4	-152	175.7	96.9	0	0	0	118.6	Q67	W65-Q67 HydrophobicContact CD2-CB 4.46Å; W65-Q67 HydrophobicContact CH2-CB 3.5Å; W65-Q67 VanDerWaalsContact CH2-CB 3.5Å; W65-Q67 HydrophobicContact CH2-CG 4.36Å; W65-Q67 HydrophobicContact CZ2-CB 3.08Å; W65-Q67 HydrophobicContact CZ2-CG 3.73Å; W65-Q67 HydrophobicContact CZ3-CB 4.32Å
66	T	39	Very low	61.5	Low	138 Å²	138	127.7 Å²	127.7	85%	0.847	60%	0.598	S	S	*	*			trans	-155.4	154.1	159.2	-23.7	0	0	0	0	113.5
67	Q	59.8	Low	61.7	Low	104 Å²	104	123.2 Å²	123.2	49%	0.486	59%	0.589	S	S	.	*			trans	-162.6	169.6	-168.9	-180	-115	0.2	0	0	114.6	W65 K69	W65-Q67 HydrophobicContact CD2-CB 4.46Å; W65-Q67 HydrophobicContact CH2-CB 3.5Å; W65-Q67 VanDerWaalsContact CH2-CB 3.5Å; W65-Q67 HydrophobicContact CH2-CG 4.36Å; W65-Q67 HydrophobicContact CZ2-CB 3.08Å; W65-Q67 HydrophobicContact CZ2-CG 3.73Å; W65-Q67 HydrophobicContact CZ3-CB 4.32Å; Q67-K69 PolarHBondContact NE2-O 2.92Å
68	R	44.9	Very low	62	Low	242 Å²	242	119.5 Å²	119.5	91%	0.913	57%	0.572	S	S	*	*			trans	-153.5	108.5	162.5	-67.9	-166.9	172.8	164	-1	117.7
69	K	58.4	Low	62.5	Low	193 Å²	193	117.6 Å²	117.6	84%	0.839	57%	0.566	S	S	*	*			trans	169.6	161.7	134.2	-101.5	-165.8	176.6	-174.6	0	111.3	Q67	Q67-K69 PolarHBondContact NE2-O 2.92Å
70	R	60.4	Low	63.7	Low	192 Å²	192	119.3 Å²	119.3	73%	0.725	57%	0.573	S	S	*	*			trans	-112.4	140	-161.9	-166.9	174.4	-174.5	-179.1	1.9	115.2	D73 F76	R70-D73 IonicContact CZ-OD1 3.69Å; R70-D73 IonicContact NE-OD1 3.63Å; R70-D73 IonicContact NH2-OD1 3.88Å; R70-D73 PolarHBondContact NH2-OD1 3.24Å; R70-D73 IonicContact NH2-OD2 2.65Å; R70-D73 PolarHBondContact NH2-OD2 3.39Å; R70-F76 HydrophobicContact CG-CE2 4.19Å
71	Q	70.3	Confident	64.9	Low	114 Å²	114	115.2 Å²	115.2	53%	0.533	54%	0.539	S	S	.	.			trans	-125.2	177.9	172.8	-69.4	-66.3	-8.1	0	0	109.7	Y75 F76	Q71-Y75 HydrophobicContact CB-CD1 3.69Å; Q71-Y75 HydrophobicContact CB-CE1 4.1Å; Q71-Y75 HydrophobicContact CG-CD1 4.16Å; Q71-Y75 HydrophobicContact CG-CE1 4.06Å; Q71-F76 HydrophobicContact CB-CD2 4.26Å; Q71-F76 HydrophobicContact CB-CE1 4.19Å; Q71-F76 HydrophobicContact CB-CE2 3.72Å; Q71-F76 HydrophobicContact CB-CZ 3.66Å; Q71-F76 HydrophobicContact CG-CZ 4.19Å; Q71-F76 VanDerWaalsContact N-CZ 3.32Å; Q71-F76 VanDerWaalsContact O-CE2 3.24Å; Q71-F76 WeakPolarHBondContact O-CE2 3.33Å
72	P	72.4	Confident	66.1	Low	76 Å²	76	114.2 Å²	114.2	49%	0.494	53%	0.531	S	S	.	.			trans	-61.4	146.3	174.6	-24	35.3	0	0	0	113.5	S74 Y75 F76	P72-S74 VanDerWaalsContact C-N 3.34Å; P72-S74 PolarHBondContact O-N 3.21Å; P72-Y75 WeakPolarHBondContact O-CB 3.39Å; P72-Y75 PolarHBondContact O-N 3.38Å; P72-F76 PolarHBondContact O-N 2.97Å; P72-F76 VanDerWaalsContact O-N 3.15Å
73	D	73.7	Confident	68.2	Low	91 Å²	91	111.4 Å²	111.4	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-31	-171.8	-56.4	-27.5	0	0	0	112.6	R70 F76 N77	R70-D73 IonicContact CZ-OD1 3.69Å; R70-D73 IonicContact NE-OD1 3.63Å; R70-D73 IonicContact NH2-OD1 3.88Å; R70-D73 PolarHBondContact NH2-OD1 3.24Å; R70-D73 IonicContact NH2-OD2 2.65Å; R70-D73 PolarHBondContact NH2-OD2 3.39Å; D73-F76 PolarHBondContact O-N 3.31Å; D73-N77 VanDerWaalsContact O-CG 3.24Å; D73-N77 PolarHBondContact O-N 3.06Å; D73-N77 PolarHBondContact O-OD1 3.32Å
74	S	75.6	Confident	70.3	Confident	87 Å²	87	104.1 Å²	104.1	61%	0.608	49%	0.492	S	S	*	.	H	α-helix	trans	-67.6	-39.6	174.2	55.5	0	0	0	0	113.2	P72 F76 N77 V78	P72-S74 VanDerWaalsContact C-N 3.34Å; P72-S74 PolarHBondContact O-N 3.21Å; S74-F76 VanDerWaalsContact C-N 3.32Å; S74-N77 PolarHBondContact O-N 3.01Å; S74-V78 PolarHBondContact O-N 3.08Å; S74-V78 VanDerWaalsContact O-N 3.16Å
75	Y	73.1	Confident	72.3	Confident	105 Å²	105	100.2 Å²	100.2	41%	0.412	48%	0.477	S	S	.	.	H	α-helix	trans	-60.7	-44.1	172.5	168	-91.6	0	0	0	110.6	L50 Q71 P72 N77 V78 L79	L50-Y75 HydrophobicContact CD2-CE2 4.1Å; Q71-Y75 HydrophobicContact CB-CD1 3.69Å; Q71-Y75 HydrophobicContact CB-CE1 4.1Å; Q71-Y75 HydrophobicContact CG-CD1 4.16Å; Q71-Y75 HydrophobicContact CG-CE1 4.06Å; P72-Y75 WeakPolarHBondContact O-CB 3.39Å; P72-Y75 PolarHBondContact O-N 3.38Å; Y75-N77 PolarHBondContact O-N 2.94Å; Y75-V78 PolarHBondContact O-N 2.99Å; Y75-L79 HydrophobicContact CE1-CD2 3.92Å; Y75-L79 WeakPolarHBondContact O-CB 3.46Å; Y75-L79 PolarHBondContact O-N 2.91Å
76	F	74.7	Confident	74.3	Confident	44 Å²	44	96.7 Å²	96.7	19%	0.193	47%	0.466	C	S	.	.	H	α-helix	trans	-64.9	-36	174.9	-76.1	-53.6	0	0	0	113.1	R70 Q71 P72 D73 S74 V78 L79 N80	R70-F76 HydrophobicContact CG-CE2 4.19Å; Q71-F76 HydrophobicContact CB-CD2 4.26Å; Q71-F76 HydrophobicContact CB-CE1 4.19Å; Q71-F76 HydrophobicContact CB-CE2 3.72Å; Q71-F76 HydrophobicContact CB-CZ 3.66Å; Q71-F76 HydrophobicContact CG-CZ 4.19Å; Q71-F76 VanDerWaalsContact N-CZ 3.32Å; Q71-F76 VanDerWaalsContact O-CE2 3.24Å; Q71-F76 WeakPolarHBondContact O-CE2 3.33Å; P72-F76 PolarHBondContact O-N 2.97Å; P72-F76 VanDerWaalsContact O-N 3.15Å; D73-F76 PolarHBondContact O-N 3.31Å; S74-F76 VanDerWaalsContact C-N 3.32Å; F76-V78 PolarHBondContact O-N 3.23Å; F76-L79 HydrophobicContact CD1-CD2 4.4Å; F76-L79 PolarHBondContact O-N 3.27Å; F76-N80 WeakPolarHBondContact O-CA 3.29Å; F76-N80 WeakPolarHBondContact O-CB 3.37Å; F76-N80 PolarHBondContact O-N 3.33Å; F76-N80 PolarHBondContact O-ND2 3.34Å; F76-N80 VanDerWaalsContact O-ND2 3.08Å
77	N	82.1	Confident	76.5	Confident	111 Å²	111	95 Å²	95	59%	0.594	45%	0.452	S	S	*	.	H	α-helix	trans	-62.1	-43.7	176.1	-70.5	-17.5	0	0	0	111.9	D73 S74 Y75 A81	D73-N77 VanDerWaalsContact O-CG 3.24Å; D73-N77 PolarHBondContact O-N 3.06Å; D73-N77 PolarHBondContact O-OD1 3.32Å; S74-N77 PolarHBondContact O-N 3.01Å; Y75-N77 PolarHBondContact O-N 2.94Å; N77-A81 PolarHBondContact O-N 3.39Å
78	V	82.8	Confident	77.9	Confident	77 Å²	77	90.4 Å²	90.4	47%	0.467	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-51.2	174.3	-179.7	0	0	0	0	110.4	L50 S74 Y75 F76 N80 A81 F82	L50-V78 HydrophobicContact CD1-CG1 3.76Å; S74-V78 PolarHBondContact O-N 3.08Å; S74-V78 VanDerWaalsContact O-N 3.16Å; Y75-V78 PolarHBondContact O-N 2.99Å; F76-V78 PolarHBondContact O-N 3.23Å; V78-N80 VanDerWaalsContact C-N 3.31Å; V78-N80 PolarHBondContact O-N 2.92Å; V78-A81 WeakPolarHBondContact O-CB 3.42Å; V78-A81 PolarHBondContact O-N 3.13Å; V78-F82 HydrophobicContact CG1-CD2 4.48Å; V78-F82 HydrophobicContact CG1-CE2 4.21Å; V78-F82 VanDerWaalsContact O-CD2 3.31Å; V78-F82 WeakPolarHBondContact O-CD2 3.38Å
79	L	81.7	Confident	80	Confident	39 Å²	39	87.9 Å²	87.9	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-58.1	-43	179.7	-178.9	62.7	0	0	0	112.1	L50 Y75 F76 A81 F82 L83	L50-L79 HydrophobicContact CD2-CD1 4.24Å; Y75-L79 HydrophobicContact CE1-CD2 3.92Å; Y75-L79 WeakPolarHBondContact O-CB 3.46Å; Y75-L79 PolarHBondContact O-N 2.91Å; F76-L79 HydrophobicContact CD1-CD2 4.4Å; F76-L79 PolarHBondContact O-N 3.27Å; L79-A81 PolarHBondContact O-N 3.22Å; L79-F82 PolarHBondContact O-N 3.4Å; L79-L83 HydrophobicContact CG-CD2 4.4Å; L79-L83 PolarHBondContact O-N 3.39Å
80	N	85.9	Confident	81.7	Confident	72 Å²	72	83.3 Å²	83.3	39%	0.385	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-29	176.9	-76.2	-26.8	0	0	0	112.4	F76 V78 F82 L83 S88	F76-N80 WeakPolarHBondContact O-CA 3.29Å; F76-N80 WeakPolarHBondContact O-CB 3.37Å; F76-N80 PolarHBondContact O-N 3.33Å; F76-N80 PolarHBondContact O-ND2 3.34Å; F76-N80 VanDerWaalsContact O-ND2 3.08Å; V78-N80 VanDerWaalsContact C-N 3.31Å; V78-N80 PolarHBondContact O-N 2.92Å; N80-F82 VanDerWaalsContact C-N 3.26Å; N80-F82 PolarHBondContact O-N 3.12Å; N80-L83 WeakPolarHBondContact OD1-CD1 3.28Å; N80-S88 WeakPolarHBondContact O-CB 3.49Å; N80-S88 PolarHBondContact O-OG 3Å
81	A	88.9	Confident	83.3	Confident	13 Å²	13	74.1 Å²	74.1	11%	0.107	37%	0.367	C	S	.	.	H	α-helix	trans	-67.9	-25.7	175.8	0	0	0	0	0	112.7	N77 V78 L79 S88 Y89 Y90	N77-A81 PolarHBondContact O-N 3.39Å; V78-A81 WeakPolarHBondContact O-CB 3.42Å; V78-A81 PolarHBondContact O-N 3.13Å; L79-A81 PolarHBondContact O-N 3.22Å; A81-S88 CarbonylContact O-C 3.42Å; A81-Y89 HydrophobicContact CB-CD2 4.39Å; A81-Y89 PolarHBondContact O-N 3.07Å; A81-Y90 HydrophobicContact CB-CD2 3.92Å; A81-Y90 HydrophobicContact CB-CE2 4.41Å; A81-Y90 CarbonylContact O-C 3.55Å; A81-Y90 WeakPolarHBondContact O-CA 3.49Å; A81-Y90 PolarHBondContact O-N 2.98Å
82	F	92.5	Very high	84.4	Confident	64 Å²	64	72.7 Å²	72.7	28%	0.281	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.4	-177.6	-63.4	-86.9	0	0	0	114.7	F52 V78 L79 N80 Y90	F52-F82 HydrophobicContact CD1-CB 4.36Å; F52-F82 HydrophobicContact CE1-CB 3.39Å; F52-F82 HydrophobicContact CE1-CG 4.14Å; F52-F82 HydrophobicContact CE2-CB 4.3Å; F52-F82 HydrophobicContact CE2-CD1 4.26Å; F52-F82 HydrophobicContact CE2-CG 4.16Å; F52-F82 HydrophobicContact CZ-CB 3.35Å; F52-F82 HydrophobicContact CZ-CD1 4.09Å; F52-F82 HydrophobicContact CZ-CD2 4.02Å; F52-F82 AromaticContact CZ-CG 3.57Å; F52-F82 HydrophobicContact CZ-CG 3.57Å; V78-F82 HydrophobicContact CG1-CD2 4.48Å; V78-F82 HydrophobicContact CG1-CE2 4.21Å; V78-F82 VanDerWaalsContact O-CD2 3.31Å; V78-F82 WeakPolarHBondContact O-CD2 3.38Å; L79-F82 PolarHBondContact O-N 3.4Å; N80-F82 VanDerWaalsContact C-N 3.26Å; N80-F82 PolarHBondContact O-N 3.12Å; F82-Y90 HydrophobicContact CD1-CD2 4.37Å; F82-Y90 HydrophobicContact CD1-CG 4.27Å; F82-Y90 AromaticContact CE1-CD2 3.79Å; F82-Y90 HydrophobicContact CE1-CD2 3.79Å; F82-Y90 AromaticContact CE1-CG 3.77Å; F82-Y90 HydrophobicContact CE1-CG 3.77Å; F82-Y90 AromaticContact CE2-CD2 3.94Å; F82-Y90 HydrophobicContact CE2-CD2 3.94Å; F82-Y90 AromaticContact CZ-CD2 3.53Å; F82-Y90 HydrophobicContact CZ-CD2 3.53Å; F82-Y90 HydrophobicContact CZ-CE2 4.29Å; F82-Y90 HydrophobicContact CZ-CG 4.01Å
83	L	88.1	Confident	85.2	Confident	53 Å²	53	69.9 Å²	69.9	28%	0.277	34%	0.342	S	S	.	.	S	Bend	trans	-62.9	151.7	173.8	-69.2	179.7	0	0	0	111.2	L79 N80 R85 S88 S91	L79-L83 HydrophobicContact CG-CD2 4.4Å; L79-L83 PolarHBondContact O-N 3.39Å; N80-L83 WeakPolarHBondContact OD1-CD1 3.28Å; L83-R85 HydrophobicContact CB-CG 4.3Å; L83-R85 PolarHBondContact O-N 3.15Å; L83-S88 WeakPolarHBondContact O-CB 3.19Å; L83-S91 WeakPolarHBondContact O-CB 3.45Å
84	D	88.1	Confident	86.1	Confident	47 Å²	47	69.3 Å²	69.3	25%	0.251	34%	0.336	S	S	.	.	S	Bend	trans	-73.7	64.3	176.5	-57.8	-60.9	0	0	0	112.2	R55 F58 I92 H93	R55-D84 VanDerWaalsContact CG-OD2 3.3Å; R55-D84 WeakPolarHBondContact CG-OD2 3.27Å; F58-D84 HydrophobicContact CB-CB 4.02Å; F58-D84 HydrophobicContact CG-CB 4.34Å; D84-I92 HydrophobicContact CB-CG2 4.29Å; D84-I92 WeakPolarHBondContact OD1-CG2 3.41Å; D84-H93 VanDerWaalsContact C-CE1 3.44Å; D84-H93 PolarHBondContact O-CE1 2.99Å; D84-H93 VanDerWaalsContact O-CE1 3.24Å
85	R	83.2	Confident	87	Confident	80 Å²	80	66.9 Å²	66.9	30%	0.302	32%	0.316	S	S	.	.	S	Bend	trans	-138.8	143.5	178.1	-55	166.4	52.1	151.3	-4.2	110.4	L83 D87 S88 S91 H93	L83-R85 HydrophobicContact CB-CG 4.3Å; L83-R85 PolarHBondContact O-N 3.15Å; R85-D87 WeakPolarHBondContact CB-OD1 3.2Å; R85-D87 IonicContact CZ-OD1 3.42Å; R85-D87 IonicContact CZ-OD2 3.7Å; R85-D87 IonicContact NE-OD1 3.54Å; R85-D87 PolarHBondContact NE-OD1 3.19Å; R85-D87 IonicContact NE-OD2 3.76Å; R85-D87 IonicContact NH2-OD1 3Å; R85-D87 PolarHBondContact NH2-OD1 2.88Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.36Å; R85-D87 PolarHBondContact O-N 2.65Å; R85-S88 WeakPolarHBondContact O-CB 3.42Å; R85-S88 PolarHBondContact O-N 2.8Å; R85-S91 WeakPolarHBondContact O-CB 3.41Å; R85-S91 PolarHBondContact O-OG 3.09Å; R85-H93 PolarHBondContact N-ND1 3.46Å
86	K	84.5	Confident	88	Confident	88 Å²	88	62.7 Å²	62.7	38%	0.383	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	179.2	-61.5	178.4	-179.2	169.5	0	114.2	I61 D62 S88 H93 Q94	I61-K86 VanDerWaalsContact C-CE 3.45Å; I61-K86 WeakPolarHBondContact O-CE 3.38Å; I61-K86 PolarHBondContact O-NZ 3.48Å; D62-K86 IonicContact OD1-NZ 3.54Å; D62-K86 PolarHBondContact OD1-NZ 3.4Å; D62-K86 IonicContact OD2-NZ 3.21Å; K86-S88 VanDerWaalsContact C-N 3.29Å; K86-H93 HydrophobicContact CG-CB 4.3Å; K86-Q94 PolarHBondContact O-NE2 2.86Å
87	D	84.9	Confident	88.9	Confident	103 Å²	103	66 Å²	66	55%	0.551	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-3.1	179.8	57.6	-24.8	0	0	0	113.9	R85	R85-D87 WeakPolarHBondContact CB-OD1 3.2Å; R85-D87 IonicContact CZ-OD1 3.42Å; R85-D87 IonicContact CZ-OD2 3.7Å; R85-D87 IonicContact NE-OD1 3.54Å; R85-D87 PolarHBondContact NE-OD1 3.19Å; R85-D87 IonicContact NE-OD2 3.76Å; R85-D87 IonicContact NH2-OD1 3Å; R85-D87 PolarHBondContact NH2-OD1 2.88Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.36Å; R85-D87 PolarHBondContact O-N 2.65Å
88	S	89.2	Confident	89.5	Confident	7 Å²	7	63.9 Å²	63.9	5%	0.049	31%	0.307	C	S	.	.	S	Bend	trans	-93.5	120.4	174.6	-66	0	0	0	0	110.4	N80 A81 L83 R85 K86 Y90 S91 Q94	N80-S88 WeakPolarHBondContact O-CB 3.49Å; N80-S88 PolarHBondContact O-OG 3Å; A81-S88 CarbonylContact O-C 3.42Å; L83-S88 WeakPolarHBondContact O-CB 3.19Å; R85-S88 WeakPolarHBondContact O-CB 3.42Å; R85-S88 PolarHBondContact O-N 2.8Å; K86-S88 VanDerWaalsContact C-N 3.29Å; S88-Y90 VanDerWaalsContact C-N 3.3Å; S88-Y90 PolarHBondContact O-N 2.92Å; S88-S91 VanDerWaalsContact O-CB 3.3Å; S88-S91 WeakPolarHBondContact O-CB 3.3Å; S88-S91 PolarHBondContact O-N 2.76Å; S88-S91 VanDerWaalsContact O-N 3.11Å; S88-S91 PolarHBondContact O-OG 3.28Å; S88-Q94 WeakPolarHBondContact O-CG 3.43Å
89	Y	90.1	Very high	90	Very high	189 Å²	189	60.2 Å²	60.2	74%	0.741	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-43.6	-171.8	-66.2	-71.6	0	0	0	114.9	A81 Q94	A81-Y89 HydrophobicContact CB-CD2 4.39Å; A81-Y89 PolarHBondContact O-N 3.07Å; Y89-Q94 WeakPolarHBondContact O-CB 3.16Å
90	Y	94.5	Very high	90.7	Very high	97 Å²	97	61.6 Å²	61.6	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	26.8	-175.2	-51.7	-59.5	0	0	0	112	A81 F82 S88 I95 L119	A81-Y90 HydrophobicContact CB-CD2 3.92Å; A81-Y90 HydrophobicContact CB-CE2 4.41Å; A81-Y90 CarbonylContact O-C 3.55Å; A81-Y90 WeakPolarHBondContact O-CA 3.49Å; A81-Y90 PolarHBondContact O-N 2.98Å; F82-Y90 HydrophobicContact CD1-CD2 4.37Å; F82-Y90 HydrophobicContact CD1-CG 4.27Å; F82-Y90 AromaticContact CE1-CD2 3.79Å; F82-Y90 HydrophobicContact CE1-CD2 3.79Å; F82-Y90 AromaticContact CE1-CG 3.77Å; F82-Y90 HydrophobicContact CE1-CG 3.77Å; F82-Y90 AromaticContact CE2-CD2 3.94Å; F82-Y90 HydrophobicContact CE2-CD2 3.94Å; F82-Y90 AromaticContact CZ-CD2 3.53Å; F82-Y90 HydrophobicContact CZ-CD2 3.53Å; F82-Y90 HydrophobicContact CZ-CE2 4.29Å; F82-Y90 HydrophobicContact CZ-CG 4.01Å; S88-Y90 VanDerWaalsContact C-N 3.3Å; S88-Y90 PolarHBondContact O-N 2.92Å; Y90-I95 WeakPolarHBondContact O-CD1 3.23Å; Y90-L119 HydrophobicContact CD1-CD2 3.84Å; Y90-L119 HydrophobicContact CE1-CD2 4.49Å; Y90-L119 HydrophobicContact CG-CD2 4.47Å
91	S	93.6	Very high	90.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-62.8	156.7	172.5	60.6	0	0	0	0	112.1	L83 R85 S88 H93 Q94 I95	L83-S91 WeakPolarHBondContact O-CB 3.45Å; R85-S91 WeakPolarHBondContact O-CB 3.41Å; R85-S91 PolarHBondContact O-OG 3.09Å; S88-S91 VanDerWaalsContact O-CB 3.3Å; S88-S91 WeakPolarHBondContact O-CB 3.3Å; S88-S91 PolarHBondContact O-N 2.76Å; S88-S91 VanDerWaalsContact O-N 3.11Å; S88-S91 PolarHBondContact O-OG 3.28Å; S91-H93 PolarHBondContact O-N 3.24Å; S91-H93 VanDerWaalsContact O-N 3.08Å; S91-Q94 PolarHBondContact O-N 3.08Å; S91-Q94 VanDerWaalsContact O-N 3.09Å; S91-Q94 WeakPolarHBondContact OG-CG 3.12Å; S91-Q94 PolarHBondContact OG-N 3.26Å; S91-Q94 VanDerWaalsContact OG-N 3.13Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.04Å
92	I	92.5	Very high	91.1	Very high	84 Å²	84	63.3 Å²	63.3	43%	0.431	31%	0.314	S	S	.	.	H	α-helix	trans	-54.4	-29.9	170.1	-167.5	58.8	0	0	0	112.4	D84 A96	D84-I92 HydrophobicContact CB-CG2 4.29Å; D84-I92 WeakPolarHBondContact OD1-CG2 3.41Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 2.87Å
93	H	90.3	Very high	91.2	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-53.6	175.3	-59.3	91.6	0	0	0	111.9	D84 R85 K86 S91 Q97	D84-H93 VanDerWaalsContact C-CE1 3.44Å; D84-H93 PolarHBondContact O-CE1 2.99Å; D84-H93 VanDerWaalsContact O-CE1 3.24Å; R85-H93 PolarHBondContact N-ND1 3.46Å; K86-H93 HydrophobicContact CG-CB 4.3Å; S91-H93 PolarHBondContact O-N 3.24Å; S91-H93 VanDerWaalsContact O-N 3.08Å; H93-Q97 VanDerWaalsContact O-CB 3.22Å; H93-Q97 WeakPolarHBondContact O-CB 3.22Å; H93-Q97 PolarHBondContact O-N 3.17Å
94	Q	91.8	Very high	91.6	Very high	79 Å²	79	63.3 Å²	63.3	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-42.8	-179.9	-69.8	-64.1	-9.4	0	0	111.1	K86 S88 Y89 S91 Q97 M98	K86-Q94 PolarHBondContact O-NE2 2.86Å; S88-Q94 WeakPolarHBondContact O-CG 3.43Å; Y89-Q94 WeakPolarHBondContact O-CB 3.16Å; S91-Q94 PolarHBondContact O-N 3.08Å; S91-Q94 VanDerWaalsContact O-N 3.09Å; S91-Q94 WeakPolarHBondContact OG-CG 3.12Å; S91-Q94 PolarHBondContact OG-N 3.26Å; S91-Q94 VanDerWaalsContact OG-N 3.13Å; Q94-Q97 PolarHBondContact O-N 3.18Å; Q94-M98 WeakPolarHBondContact O-CB 3.4Å; Q94-M98 PolarHBondContact O-N 3.4Å
95	I	95.6	Very high	91.9	Very high	35 Å²	35	65.2 Å²	65.2	18%	0.179	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-49	178.5	-67.2	170.8	0	0	0	111.1	Y90 S91 G99 Y110 V118 L119	Y90-I95 WeakPolarHBondContact O-CD1 3.23Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.04Å; I95-G99 PolarHBondContact O-N 2.87Å; I95-G99 VanDerWaalsContact O-N 3.11Å; I95-Y110 HydrophobicContact CG2-CE2 4.25Å; I95-Y110 PolarHBondContact O-OH 3.23Å; I95-V118 HydrophobicContact CB-CG1 4.2Å; I95-V118 HydrophobicContact CG1-CG1 4.32Å; I95-V118 HydrophobicContact CG2-CG1 3.94Å; I95-L119 HydrophobicContact CD1-CD2 4.19Å; I95-L119 HydrophobicContact CG1-CD2 4.41Å
96	A	93.3	Very high	92.3	Very high	18 Å²	18	66 Å²	66	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-37.4	180	0	0	0	0	0	112.7	I92 I106 Y110	I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 2.87Å; A96-I106 HydrophobicContact CB-CG2 4.45Å; A96-Y110 PolarHBondContact O-OH 2.84Å
97	Q	93.9	Very high	92.5	Very high	113 Å²	113	65.4 Å²	65.4	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-72.6	-40.2	178.9	-173.9	60.6	63.5	0	0	112.3	H93 Q94 V100	H93-Q97 VanDerWaalsContact O-CB 3.22Å; H93-Q97 WeakPolarHBondContact O-CB 3.22Å; H93-Q97 PolarHBondContact O-N 3.17Å; Q94-Q97 PolarHBondContact O-N 3.18Å; Q97-V100 WeakPolarHBondContact O-CB 3.48Å; Q97-V100 WeakPolarHBondContact O-CG2 3.25Å; Q97-V100 PolarHBondContact O-N 3.33Å
98	M	94.1	Very high	92.9	Very high	66 Å²	66	64.9 Å²	64.9	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-67.1	-38.4	178.4	-178.5	63.6	80.3	0	0	111.7	Q94 V100 G101 V118 K121	Q94-M98 WeakPolarHBondContact O-CB 3.4Å; Q94-M98 PolarHBondContact O-N 3.4Å; M98-V100 PolarHBondContact O-N 3.42Å; M98-G101 WeakPolarHBondContact O-CA 3.38Å; M98-G101 PolarHBondContact O-N 3.35Å; M98-V118 HydrophobicContact CB-CG1 3.91Å; M98-V118 HydrophobicContact CG-CB 4.35Å; M98-V118 HydrophobicContact CG-CG1 3.96Å; M98-V118 HydrophobicContact CG-CG2 4.22Å; M98-K121 HydrophobicContact CE-CB 3.75Å; M98-K121 HydrophobicContact CG-CB 4.21Å; M98-K121 HydrophobicContact CG-CD 4.16Å; M98-K121 HydrophobicContact SD-CB 3.76Å; M98-K121 HydrophobicContact SD-CD 3.59Å; M98-K121 VanDerWaalsContact SD-CD 3.59Å; M98-K121 HydrophobicContact SD-CG 4.35Å
99	G	94.1	Very high	93.1	Very high	0 Å²	0	73 Å²	73	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-70	-10.2	177.6	0	0	0	0	0	114.9	I95 G101 E102 G103 K104 Y110	I95-G99 PolarHBondContact O-N 2.87Å; I95-G99 VanDerWaalsContact O-N 3.11Å; G99-G101 PolarHBondContact O-N 3Å; G99-E102 CarbonylContact O-C 3.57Å; G99-E102 WeakPolarHBondContact O-CA 3.28Å; G99-E102 WeakPolarHBondContact O-CB 3.23Å; G99-E102 PolarHBondContact O-N 3.37Å; G99-G103 PolarHBondContact O-N 3.09Å; G99-K104 CarbonylContact C-O 3.59Å; G99-K104 WeakPolarHBondContact O-CB 3.29Å; G99-K104 PolarHBondContact O-N 3.22Å; G99-Y110 VanDerWaalsContact CA-OH 3.28Å; G99-Y110 WeakPolarHBondContact CA-OH 3.39Å
100	V	94.8	Very high	93.3	Very high	69 Å²	69	66.6 Å²	66.6	42%	0.418	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-58.5	-37.1	162.6	-178.1	0	0	0	0	110.3	Q97 M98 E102 G103 K104 I106	Q97-V100 WeakPolarHBondContact O-CB 3.48Å; Q97-V100 WeakPolarHBondContact O-CG2 3.25Å; Q97-V100 PolarHBondContact O-N 3.33Å; M98-V100 PolarHBondContact O-N 3.42Å; V100-E102 PolarHBondContact O-N 3.01Å; V100-G103 PolarHBondContact O-N 3.01Å; V100-K104 VanDerWaalsContact CA-O 3.27Å; V100-K104 WeakPolarHBondContact CA-O 3.19Å; V100-K104 PolarHBondContact N-O 3.44Å; V100-I106 HydrophobicContact CG2-CG1 4.11Å
101	G	91.7	Very high	93.3	Very high	59 Å²	59	63.6 Å²	63.6	61%	0.608	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-71.7	-7.4	171.6	0	0	0	0	0	115	M98 G99	M98-G101 WeakPolarHBondContact O-CA 3.38Å; M98-G101 PolarHBondContact O-N 3.35Å; G99-G101 PolarHBondContact O-N 3Å
102	E	93.6	Very high	93.5	Very high	62 Å²	62	69.2 Å²	69.2	29%	0.29	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-102.2	13	168.6	-64	-65.8	122.8	0	0	111.8	G99 V100 T114 V118 K121	G99-E102 CarbonylContact O-C 3.57Å; G99-E102 WeakPolarHBondContact O-CA 3.28Å; G99-E102 WeakPolarHBondContact O-CB 3.23Å; G99-E102 PolarHBondContact O-N 3.37Å; V100-E102 PolarHBondContact O-N 3.01Å; E102-T114 HydrophobicContact CB-CG2 3.88Å; E102-T114 HydrophobicContact CG-CG2 4.26Å; E102-V118 HydrophobicContact CG-CG2 3.88Å; E102-K121 WeakPolarHBondContact OE1-CE 3.18Å; E102-K121 IonicContact OE1-NZ 2.67Å; E102-K121 PolarHBondContact OE1-NZ 2.96Å
103	G	93.6	Very high	93.7	Very high	63 Å²	63	70.1 Å²	70.1	65%	0.649	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	24.2	-178.5	0	0	0	0	0	114.3	G99 V100	G99-G103 PolarHBondContact O-N 3.09Å; V100-G103 PolarHBondContact O-N 3.01Å
104	K	96.4	Very high	93.9	Very high	54 Å²	54	70.4 Å²	70.4	24%	0.235	42%	0.417	C	S	.	.			trans	-107.9	122.6	175.2	-58.4	-60.6	-178.9	180	0	111.9	G99 V100 Q108 Y110 T114	G99-K104 CarbonylContact C-O 3.59Å; G99-K104 WeakPolarHBondContact O-CB 3.29Å; G99-K104 PolarHBondContact O-N 3.22Å; V100-K104 VanDerWaalsContact CA-O 3.27Å; V100-K104 WeakPolarHBondContact CA-O 3.19Å; V100-K104 PolarHBondContact N-O 3.44Å; K104-Q108 HydrophobicContact CD-CG 4.43Å; K104-Y110 HydrophobicContact CB-CD1 4.02Å; K104-Y110 HydrophobicContact CB-CE1 3.35Å; K104-Y110 HydrophobicContact CD-CD1 4.46Å; K104-Y110 HydrophobicContact CG-CD1 3.86Å; K104-Y110 HydrophobicContact CG-CE1 3.68Å; K104-T114 HydrophobicContact CG-CG2 3.84Å
105	S	93.7	Very high	94.1	Very high	86 Å²	86	69.1 Å²	69.1	60%	0.601	41%	0.414	S	S	*	.			trans	-65.5	149.8	171.2	-61.8	0	0	0	0	111	G107 Q108	S105-G107 PolarHBondContact O-N 3.11Å; S105-Q108 WeakPolarHBondContact O-CB 3.27Å; S105-Q108 PolarHBondContact O-N 3.14Å
106	I	92.1	Very high	94.1	Very high	97 Å²	97	70 Å²	70	50%	0.497	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	131.4	173.1	-63.2	174.6	0	0	0	109	A96 V100	A96-I106 HydrophobicContact CB-CG2 4.45Å; V100-I106 HydrophobicContact CG2-CG1 4.11Å
107	G	88.7	Confident	94.2	Very high	76 Å²	76	72 Å²	72	78%	0.784	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-4.9	-175	0	0	0	0	0	115.3	S105	S105-G107 PolarHBondContact O-N 3.11Å
108	Q	92.8	Very high	94.2	Very high	91 Å²	91	66.9 Å²	66.9	43%	0.425	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-78.4	139.8	172.9	-168.2	177.7	10.4	0	0	111.4	K104 S105 Y110	K104-Q108 HydrophobicContact CD-CG 4.43Å; S105-Q108 WeakPolarHBondContact O-CB 3.27Å; S105-Q108 PolarHBondContact O-N 3.14Å; Q108-Y110 WeakPolarHBondContact O-CD1 3.19Å; Q108-Y110 WeakPolarHBondContact O-CE1 3.43Å
109	W	93.5	Very high	94.3	Very high	179 Å²	179	67.4 Å²	67.4	68%	0.678	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-64.8	135.9	174.1	-71.7	80.3	0	0	0	112.2	Y8 Y54	Y8-W109 HydrophobicContact CD1-CZ2 4.28Å; Y8-W109 HydrophobicContact CE1-CZ2 4.29Å; Y54-W109 WeakPolarHBondContact OH-CH2 3.44Å
110	Y	95.3	Very high	94.3	Very high	54 Å²	54	75.3 Å²	75.3	21%	0.212	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-100.8	143	178.7	-71.3	15.9	0	0	0	110.3	I95 A96 G99 K104 Q108 T114 V115 V118	I95-Y110 HydrophobicContact CG2-CE2 4.25Å; I95-Y110 PolarHBondContact O-OH 3.23Å; A96-Y110 PolarHBondContact O-OH 2.84Å; G99-Y110 VanDerWaalsContact CA-OH 3.28Å; G99-Y110 WeakPolarHBondContact CA-OH 3.39Å; K104-Y110 HydrophobicContact CB-CD1 4.02Å; K104-Y110 HydrophobicContact CB-CE1 3.35Å; K104-Y110 HydrophobicContact CD-CD1 4.46Å; K104-Y110 HydrophobicContact CG-CD1 3.86Å; K104-Y110 HydrophobicContact CG-CE1 3.68Å; Q108-Y110 WeakPolarHBondContact O-CD1 3.19Å; Q108-Y110 WeakPolarHBondContact O-CE1 3.43Å; Y110-T114 HydrophobicContact CD2-CG2 3.87Å; Y110-T114 HydrophobicContact CE2-CG2 4.29Å; Y110-T114 HydrophobicContact CG-CG2 4.02Å; Y110-V115 HydrophobicContact CD2-CB 4.34Å; Y110-V118 HydrophobicContact CE2-CG2 4.13Å
111	G	95.1	Very high	94	Very high	34 Å²	34	79 Å²	79	35%	0.351	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-86.7	168	166.1	0	0	0	0	0	111.7	N113 T114 V115	G111-N113 VanDerWaalsContact C-N 3.35Å; G111-N113 PolarHBondContact O-N 3.38Å; G111-T114 PolarHBondContact O-N 2.94Å; G111-T114 VanDerWaalsContact O-N 3.07Å; G111-V115 PolarHBondContact O-N 2.84Å
112	P	96.4	Very high	94.1	Very high	117 Å²	117	80 Å²	80	76%	0.76	45%	0.45	S	S	*	.	H	α-helix	trans	-53.8	-43.2	-174.3	-28.9	35.8	0	0	0	114.7	V115 A116	P112-V115 VanDerWaalsContact O-CG1 3.3Å; P112-V115 WeakPolarHBondContact O-CG1 3.27Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.43Å; P112-A116 VanDerWaalsContact O-N 3.15Å
113	N	96.1	Very high	94.1	Very high	104 Å²	104	80.9 Å²	80.9	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-65.1	-42.2	178.3	179.8	53.3	0	0	0	112.3	G111 V115 A116 Q117	G111-N113 VanDerWaalsContact C-N 3.35Å; G111-N113 PolarHBondContact O-N 3.38Å; N113-V115 PolarHBondContact O-N 3.46Å; N113-A116 PolarHBondContact O-N 3.44Å; N113-Q117 WeakPolarHBondContact O-CG 3.28Å; N113-Q117 PolarHBondContact O-N 2.75Å; N113-Q117 PolarHBondContact OD1-NE2 2.86Å
114	T	95.2	Very high	94.1	Very high	22 Å²	22	81.9 Å²	81.9	14%	0.135	45%	0.448	C	S	.	.	H	α-helix	trans	-63.6	-44.9	-177	-54.4	0	0	0	0	111.7	E102 K104 Y110 G111 A116 Q117 V118	E102-T114 HydrophobicContact CB-CG2 3.88Å; E102-T114 HydrophobicContact CG-CG2 4.26Å; K104-T114 HydrophobicContact CG-CG2 3.84Å; Y110-T114 HydrophobicContact CD2-CG2 3.87Å; Y110-T114 HydrophobicContact CE2-CG2 4.29Å; Y110-T114 HydrophobicContact CG-CG2 4.02Å; G111-T114 PolarHBondContact O-N 2.94Å; G111-T114 VanDerWaalsContact O-N 3.07Å; T114-A116 VanDerWaalsContact C-N 3.31Å; T114-A116 PolarHBondContact O-N 3.31Å; T114-Q117 PolarHBondContact O-N 2.82Å; T114-V118 WeakPolarHBondContact O-CB 3.4Å; T114-V118 WeakPolarHBondContact O-CG2 3.21Å; T114-V118 PolarHBondContact O-N 3.15Å
115	V	95.6	Very high	94	Very high	52 Å²	52	83.5 Å²	83.5	32%	0.315	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-34.7	176	64	0	0	0	0	111.6	Y110 G111 P112 N113 V118 L119	Y110-V115 HydrophobicContact CD2-CB 4.34Å; G111-V115 PolarHBondContact O-N 2.84Å; P112-V115 VanDerWaalsContact O-CG1 3.3Å; P112-V115 WeakPolarHBondContact O-CG1 3.27Å; N113-V115 PolarHBondContact O-N 3.46Å; V115-V118 PolarHBondContact O-N 2.91Å; V115-L119 HydrophobicContact CG2-CD1 4.04Å; V115-L119 HydrophobicContact CG2-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CB 3.39Å; V115-L119 VanDerWaalsContact O-CG 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å
116	A	95.9	Very high	94	Very high	53 Å²	53	83.4 Å²	83.4	44%	0.438	45%	0.452	S	S	.	.	H	α-helix	trans	-66	-40.5	174.2	0	0	0	0	0	113.4	P112 N113 T114 K120	P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.43Å; P112-A116 VanDerWaalsContact O-N 3.15Å; N113-A116 PolarHBondContact O-N 3.44Å; T114-A116 VanDerWaalsContact C-N 3.31Å; T114-A116 PolarHBondContact O-N 3.31Å; A116-K120 WeakPolarHBondContact O-CB 3.26Å; A116-K120 PolarHBondContact O-N 2.89Å
117	Q	94.8	Very high	94.2	Very high	61 Å²	61	82.5 Å²	82.5	29%	0.285	45%	0.449	S	S	.	.	H	α-helix	trans	-67.5	-38.4	174.2	-61.4	-50.2	-34.6	0	0	111.6	N113 T114 K120 K121	N113-Q117 WeakPolarHBondContact O-CG 3.28Å; N113-Q117 PolarHBondContact O-N 2.75Å; N113-Q117 PolarHBondContact OD1-NE2 2.86Å; T114-Q117 PolarHBondContact O-N 2.82Å; Q117-K120 PolarHBondContact O-N 2.69Å; Q117-K121 PolarHBondContact O-N 3.37Å
118	V	95.9	Very high	94.5	Very high	6 Å²	6	82.9 Å²	82.9	4%	0.036	43%	0.425	C	S	.	.	H	α-helix	trans	-62.8	-44.1	175.3	163.4	0	0	0	0	111.9	I95 M98 E102 Y110 T114 V115 K120 K121	I95-V118 HydrophobicContact CB-CG1 4.2Å; I95-V118 HydrophobicContact CG1-CG1 4.32Å; I95-V118 HydrophobicContact CG2-CG1 3.94Å; M98-V118 HydrophobicContact CB-CG1 3.91Å; M98-V118 HydrophobicContact CG-CB 4.35Å; M98-V118 HydrophobicContact CG-CG1 3.96Å; M98-V118 HydrophobicContact CG-CG2 4.22Å; E102-V118 HydrophobicContact CG-CG2 3.88Å; Y110-V118 HydrophobicContact CE2-CG2 4.13Å; T114-V118 WeakPolarHBondContact O-CB 3.4Å; T114-V118 WeakPolarHBondContact O-CG2 3.21Å; T114-V118 PolarHBondContact O-N 3.15Å; V115-V118 PolarHBondContact O-N 2.91Å; V118-K120 PolarHBondContact O-N 3.49Å; V118-K121 PolarHBondContact O-N 3.33Å
119	L	94.3	Very high	94.7	Very high	76 Å²	76	82.3 Å²	82.3	40%	0.398	43%	0.425	S	S	.	.	H	α-helix	trans	-70.8	-13.4	177.9	-70.3	170.8	0	0	0	114	Y90 I95 V115	Y90-L119 HydrophobicContact CD1-CD2 3.84Å; Y90-L119 HydrophobicContact CE1-CD2 4.49Å; Y90-L119 HydrophobicContact CG-CD2 4.47Å; I95-L119 HydrophobicContact CD1-CD2 4.19Å; I95-L119 HydrophobicContact CG1-CD2 4.41Å; V115-L119 HydrophobicContact CG2-CD1 4.04Å; V115-L119 HydrophobicContact CG2-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CB 3.39Å; V115-L119 VanDerWaalsContact O-CG 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å
120	K	94.9	Very high	94.8	Very high	166 Å²	166	74.3 Å²	74.3	72%	0.722	40%	0.404	S	S	*	.	H	α-helix	trans	-89.6	-22.8	178.8	175.7	-178.2	172.3	-168.8	0	113.2	A116 Q117 V118	A116-K120 WeakPolarHBondContact O-CB 3.26Å; A116-K120 PolarHBondContact O-N 2.89Å; Q117-K120 PolarHBondContact O-N 2.69Å; V118-K120 PolarHBondContact O-N 3.49Å
121	K	87.8	Confident	94.7	Very high	146 Å²	146	76.1 Å²	76.1	64%	0.635	42%	0.421	S	S	*	.			trans	-82.6	0	-177.5	-74.6	-178.3	-179.2	179.3	0	112.4	M98 E102 Q117 V118	M98-K121 HydrophobicContact CE-CB 3.75Å; M98-K121 HydrophobicContact CG-CB 4.21Å; M98-K121 HydrophobicContact CG-CD 4.16Å; M98-K121 HydrophobicContact SD-CB 3.76Å; M98-K121 HydrophobicContact SD-CD 3.59Å; M98-K121 VanDerWaalsContact SD-CD 3.59Å; M98-K121 HydrophobicContact SD-CG 4.35Å; E102-K121 WeakPolarHBondContact OE1-CE 3.18Å; E102-K121 IonicContact OE1-NZ 2.67Å; E102-K121 PolarHBondContact OE1-NZ 2.96Å; Q117-K121 PolarHBondContact O-N 3.37Å; V118-K121 PolarHBondContact O-N 3.33Å

Retrieved 121 of 121 residues in 102.8 ms (Link to these results)

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