A0A5K4F9B2_SCHMA Loading...

CHCH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9B2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 aa.

						>A0A5K4F9B2_SCHMA|A0A5K4F9B2
MSQSNSIDNTNSHSNDSINQTSENQEQLIHSRLGSIVPECDTVKTAYDLCFQEFFPKFLKGHIYETDPCESKLKIYQNCLRDALKKSFNMDLNELDSIRTDAETIRKITSKAK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	45.6	Very low	233 Å²	233	148.1 Å²	148.1	100%	1.148	83%	0.828	S	S	*	*				0	96.2	0	-70.7	160.9	139	0	0	105.6
2	S	44.3	Very low	45.1	Very low	106 Å²	106	144 Å²	144	74%	0.741	82%	0.817	S	S	*	*				60.7	122.7	92	-53.1	0	0	0	0	110.1
3	Q	42.3	Very low	44.9	Very low	171 Å²	171	147.3 Å²	147.3	80%	0.799	82%	0.82	S	S	*	*			cis	-173.8	153.8	18.4	-104.3	160.7	24.7	0	0	106.9
4	S	48.5	Very low	45.1	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	82%	0.818	S	S	*	*			trans	42	144.1	130.8	-59.6	0	0	0	0	120.8
5	N	48	Very low	45.2	Very low	142 Å²	142	143.3 Å²	143.3	76%	0.759	81%	0.807	S	S	*	*			cis	-171.6	160.1	9.3	-89.9	-17.7	0	0	0	105.2
6	S	48.7	Very low	45.3	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	80%	0.797	S	S	*	*				174.7	132.9	116.1	-73.7	0	0	0	0	111.6
7	I	44.5	Very low	45.6	Very low	140 Å²	140	138.9 Å²	138.9	72%	0.718	79%	0.788	S	S	*	*			trans	-81.3	144.3	-176.6	-65	153.1	0	0	0	108.4
8	D	50.5	Low	45.8	Very low	169 Å²	169	138.8 Å²	138.8	90%	0.904	78%	0.783	S	S	*	*			trans	-144.3	128.3	138.7	-100.9	-34.5	0	0	0	111.1
9	N	43.2	Very low	45.8	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	77%	0.771	S	S	*	*			trans	-78.7	130.3	-167.4	-107.2	-25	0	0	0	111.8
10	T	39.8	Very low	46	Very low	138 Å²	138	135.9 Å²	135.9	85%	0.847	76%	0.759	S	S	*	*			trans	-70.1	122.9	174.1	-24	0	0	0	0	110.8
11	N	44.1	Very low	46.4	Very low	167 Å²	167	133.9 Å²	133.9	89%	0.893	75%	0.75	S	S	*	*			trans	-126.5	95.4	170.8	-143.5	7.9	0	0	0	108
12	S	40.1	Very low	46.9	Very low	99 Å²	99	125.8 Å²	125.8	69%	0.692	72%	0.717	S	S	*	*			trans	-162.3	66.4	169.8	178.2	0	0	0	0	111
13	H	41.7	Very low	47.7	Very low	187 Å²	187	126.2 Å²	126.2	87%	0.866	71%	0.707	S	S	*	*			trans	-105.1	100.8	157.6	-84.4	-54.4	0	0	0	106.7
14	S	47.3	Very low	48.8	Very low	112 Å²	112	122.5 Å²	122.5	78%	0.783	69%	0.693	S	S	*	*	S	Bend	trans	-179.5	-12.8	157.1	-81.7	0	0	0	0	116.7
15	N	46.7	Very low	49.6	Very low	122 Å²	122	123.6 Å²	123.6	65%	0.652	69%	0.687	S	S	*	*	S	Bend	trans	-103.7	-1.7	-165.8	-74.6	-10.3	0	0	0	117.8
16	D	47.9	Very low	50.3	Low	122 Å²	122	123 Å²	123	65%	0.652	68%	0.68	S	S	*	*	H	α-helix	trans	-84.6	-21.6	-172.4	-81.7	-33.6	0	0	0	115.6	I18 Q20	D16-I18 PolarHBondContact O-N 2.83Å; D16-Q20 WeakPolarHBondContact O-CG 3.29Å; D16-Q20 PolarHBondContact O-N 3.49Å
17	S	49.2	Very low	51.3	Low	91 Å²	91	123 Å²	123	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-78.2	-20.3	-171.7	-56.1	0	0	0	0	114.6	T21	S17-T21 PolarHBondContact O-OG1 2.64Å
18	I	50.2	Low	52.3	Low	136 Å²	136	121.1 Å²	121.1	70%	0.697	66%	0.658	S	S	*	*	H	α-helix	trans	-83.3	-36	-178.1	-61.8	175.2	0	0	0	110.8	D16	D16-I18 PolarHBondContact O-N 2.83Å
19	N	45.9	Very low	53.1	Low	106 Å²	106	118.1 Å²	118.1	57%	0.567	64%	0.64	S	S	*	*	H	α-helix	trans	-74.7	-35.4	179.3	-73.5	-11.9	0	0	0	112.7	T21 S22 E23	N19-T21 VanDerWaalsContact C-N 3.28Å; N19-T21 PolarHBondContact O-N 2.98Å; N19-S22 PolarHBondContact O-N 3.18Å; N19-E23 PolarHBondContact O-N 3.47Å
20	Q	49.1	Very low	54.2	Low	113 Å²	113	119.8 Å²	119.8	53%	0.528	64%	0.643	S	S	.	*	H	α-helix	trans	-65.8	-26.9	179.6	-76.9	177.3	-8.7	0	0	113.9	D16 N24	D16-Q20 WeakPolarHBondContact O-CG 3.29Å; D16-Q20 PolarHBondContact O-N 3.49Å; Q20-N24 PolarHBondContact O-N 3.07Å; Q20-N24 PolarHBondContact O-ND2 2.65Å
21	T	55.7	Low	56	Low	94 Å²	94	117.3 Å²	117.3	58%	0.577	63%	0.632	S	S	*	*	H	α-helix	trans	-74.1	-34.3	179.7	-50.7	0	0	0	0	111.2	S17 N19 Q25	S17-T21 PolarHBondContact O-OG1 2.64Å; N19-T21 VanDerWaalsContact C-N 3.28Å; N19-T21 PolarHBondContact O-N 2.98Å; T21-Q25 WeakPolarHBondContact O-CB 3.43Å; T21-Q25 PolarHBondContact O-N 3.31Å
22	S	57.3	Low	57.8	Low	64 Å²	64	112.7 Å²	112.7	45%	0.448	60%	0.601	S	S	.	*	H	α-helix	trans	-70.6	-45	178.9	-164.2	0	0	0	0	112.1	N19 N24 Q25 E26	N19-S22 PolarHBondContact O-N 3.18Å; S22-N24 PolarHBondContact O-N 3.3Å; S22-Q25 PolarHBondContact O-N 3.48Å; S22-E26 PolarHBondContact O-N 3.33Å
23	E	60.1	Low	60.3	Low	115 Å²	115	114.6 Å²	114.6	54%	0.537	60%	0.603	S	S	.	*	H	α-helix	trans	-64.4	-41.1	-179.2	-67.9	178.2	168.4	0	0	112	N19 Q25 E26 Q27	N19-E23 PolarHBondContact O-N 3.47Å; E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3.08Å; E23-E26 PolarHBondContact O-N 3.36Å; E23-Q27 WeakPolarHBondContact O-CG 3.25Å; E23-Q27 PolarHBondContact O-N 3.31Å
24	N	66.2	Low	62.7	Low	92 Å²	92	107.9 Å²	107.9	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-67	-37.1	177.3	-73.6	-43.2	0	0	0	111.9	Q20 S22 L28	Q20-N24 PolarHBondContact O-N 3.07Å; Q20-N24 PolarHBondContact O-ND2 2.65Å; S22-N24 PolarHBondContact O-N 3.3Å; N24-L28 WeakPolarHBondContact O-CB 3.26Å; N24-L28 WeakPolarHBondContact O-CD1 3.46Å; N24-L28 VanDerWaalsContact O-CG 3.32Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.08Å
25	Q	65.4	Low	64.9	Low	120 Å²	120	103.3 Å²	103.3	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-68.8	-39.2	177.2	-169.2	176.5	-15.8	0	0	111.7	T21 S22 E23 L28 I29	T21-Q25 WeakPolarHBondContact O-CB 3.43Å; T21-Q25 PolarHBondContact O-N 3.31Å; S22-Q25 PolarHBondContact O-N 3.48Å; E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3.08Å; Q25-L28 PolarHBondContact O-N 3.08Å; Q25-I29 HydrophobicContact CG-CD1 4.21Å; Q25-I29 WeakPolarHBondContact O-CD1 3.28Å; Q25-I29 VanDerWaalsContact O-CG1 3.23Å; Q25-I29 WeakPolarHBondContact O-CG1 3.47Å; Q25-I29 PolarHBondContact O-N 3.38Å
26	E	63.6	Low	67.1	Low	128 Å²	128	103.3 Å²	103.3	60%	0.598	55%	0.552	S	S	*	*	H	α-helix	trans	-64.2	-42.9	174.5	-76	-177.5	179.4	0	0	112.3	S22 E23 L28 I29 H30	S22-E26 PolarHBondContact O-N 3.33Å; E23-E26 PolarHBondContact O-N 3.36Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 3.39Å; E26-I29 PolarHBondContact O-N 3.13Å; E26-H30 PolarHBondContact O-N 3.27Å
27	Q	68.3	Low	69.3	Low	123 Å²	123	98 Å²	98	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-62.6	-38.5	175.4	-72.1	178.4	16.1	0	0	112.3	E23 H30 S31	E23-Q27 WeakPolarHBondContact O-CG 3.25Å; E23-Q27 PolarHBondContact O-N 3.31Å; Q27-H30 PolarHBondContact O-N 2.81Å; Q27-S31 WeakPolarHBondContact O-CB 3.25Å; Q27-S31 PolarHBondContact O-N 3.37Å; Q27-S31 PolarHBondContact O-OG 3.48Å
28	L	66.1	Low	71.5	Confident	100 Å²	100	98.1 Å²	98.1	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-40	175.3	-79.8	159.7	0	0	0	112.1	N24 Q25 E26 S31 R32	N24-L28 WeakPolarHBondContact O-CB 3.26Å; N24-L28 WeakPolarHBondContact O-CD1 3.46Å; N24-L28 VanDerWaalsContact O-CG 3.32Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.08Å; Q25-L28 PolarHBondContact O-N 3.08Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 3.39Å; L28-S31 PolarHBondContact O-N 3.33Å; L28-R32 PolarHBondContact O-N 2.98Å
29	I	66.5	Low	73.6	Confident	106 Å²	106	97.9 Å²	97.9	54%	0.544	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-43.1	175.9	-67.3	163.1	0	0	0	110.4	Q25 E26 S31 R32	Q25-I29 HydrophobicContact CG-CD1 4.21Å; Q25-I29 WeakPolarHBondContact O-CD1 3.28Å; Q25-I29 VanDerWaalsContact O-CG1 3.23Å; Q25-I29 WeakPolarHBondContact O-CG1 3.47Å; Q25-I29 PolarHBondContact O-N 3.38Å; E26-I29 PolarHBondContact O-N 3.13Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.45Å; I29-R32 WeakPolarHBondContact O-CB 3.5Å; I29-R32 PolarHBondContact O-N 3.25Å
30	H	66.9	Low	76	Confident	181 Å²	181	92.9 Å²	92.9	84%	0.838	49%	0.491	S	S	*	.	H	α-helix	trans	-70.9	-26.1	-179.9	-135.1	59.2	0	0	0	113.2	E26 Q27 R32	E26-H30 PolarHBondContact O-N 3.27Å; Q27-H30 PolarHBondContact O-N 2.81Å; H30-R32 PolarHBondContact O-N 2.98Å
31	S	77.6	Confident	78.3	Confident	86 Å²	86	90.2 Å²	90.2	60%	0.601	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.1	174.4	-57.5	0	0	0	0	113.1	Q27 L28 I29 L33	Q27-S31 WeakPolarHBondContact O-CB 3.25Å; Q27-S31 PolarHBondContact O-N 3.37Å; Q27-S31 PolarHBondContact O-OG 3.48Å; L28-S31 PolarHBondContact O-N 3.33Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.45Å; S31-L33 PolarHBondContact O-N 3.39Å; S31-L33 VanDerWaalsContact O-N 3.07Å
32	R	82.8	Confident	80.3	Confident	69 Å²	69	91.2 Å²	91.2	26%	0.26	49%	0.487	S	S	.	.			trans	-73.9	103.9	-177.1	-169.4	177.8	-144.5	145.2	10.9	111.1	L28 I29 H30 T45 D48	L28-R32 PolarHBondContact O-N 2.98Å; I29-R32 WeakPolarHBondContact O-CB 3.5Å; I29-R32 PolarHBondContact O-N 3.25Å; H30-R32 PolarHBondContact O-N 2.98Å; R32-T45 VanDerWaalsContact CZ-CG2 3.45Å; R32-T45 VanDerWaalsContact NH1-CG2 3.26Å; R32-T45 VanDerWaalsContact NH2-CA 3.32Å; R32-T45 PolarHBondContact NH2-O 3.45Å; R32-D48 IonicContact CZ-OD2 3.64Å; R32-D48 IonicContact NE-OD2 3.17Å; R32-D48 PolarHBondContact NE-OD2 3.07Å; R32-D48 VanDerWaalsContact NH2-CB 3.28Å; R32-D48 IonicContact NH2-OD2 3.54Å; R32-D48 PolarHBondContact NH2-OD2 2.71Å; R32-D48 VanDerWaalsContact NH2-OD2 3.14Å
33	L	90.8	Very high	82.2	Confident	139 Å²	139	90.2 Å²	90.2	73%	0.728	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-70.1	134.6	169.9	-68.1	106.9	0	0	0	111	S31 K44	S31-L33 PolarHBondContact O-N 3.39Å; S31-L33 VanDerWaalsContact O-N 3.07Å; L33-K44 WeakPolarHBondContact O-CE 3.26Å; L33-K44 PolarHBondContact O-NZ 3.27Å
34	G	92.4	Very high	84	Confident	47 Å²	47	86.1 Å²	86.1	49%	0.485	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-59.9	170.9	165.3	0	0	0	0	0	112
35	S	94.7	Very high	85.3	Confident	15 Å²	15	84.3 Å²	84.3	11%	0.105	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-71.3	154.6	169.9	-168.4	0	0	0	0	110.7	V37 D41 L80	S35-V37 VanDerWaalsContact CB-O 3.28Å; S35-V37 WeakPolarHBondContact CB-O 3.28Å; S35-V37 PolarHBondContact O-N 2.88Å; S35-V37 PolarHBondContact OG-N 3.45Å; S35-V37 PolarHBondContact OG-O 2.82Å; S35-D41 WeakPolarHBondContact CA-OD1 3.11Å; S35-D41 WeakPolarHBondContact CB-OD1 3.34Å; S35-D41 PolarHBondContact N-OD1 3.44Å; S35-L80 WeakPolarHBondContact OG-CD2 3.32Å
36	I	92.5	Very high	86.8	Confident	123 Å²	123	80.6 Å²	80.6	63%	0.631	44%	0.441	S	S	*	.	S	Bend	trans	-62.2	-22.4	168.1	-169.4	169.1	0	0	0	111.9	L80	I36-L80 HydrophobicContact CG2-CD2 4.08Å
37	V	93.9	Very high	88.4	Confident	9 Å²	9	76.6 Å²	76.6	6%	0.055	42%	0.42	C	S	.	.	S	Bend	trans	-115.3	106.6	172	-169	0	0	0	0	108.4	S35 E39 C40 L80 A83 L84 F88	S35-V37 VanDerWaalsContact CB-O 3.28Å; S35-V37 WeakPolarHBondContact CB-O 3.28Å; S35-V37 PolarHBondContact O-N 2.88Å; S35-V37 PolarHBondContact OG-N 3.45Å; S35-V37 PolarHBondContact OG-O 2.82Å; V37-E39 HydrophobicContact CG1-CG 3.65Å; V37-E39 PolarHBondContact O-N 3Å; V37-C40 WeakPolarHBondContact O-CB 3.4Å; V37-C40 PolarHBondContact O-N 3.28Å; V37-L80 HydrophobicContact CG2-CD2 4.26Å; V37-A83 HydrophobicContact CB-CB 3.96Å; V37-A83 HydrophobicContact CG1-CB 3.43Å; V37-A83 VanDerWaalsContact CG1-CB 3.43Å; V37-A83 HydrophobicContact CG2-CB 3.7Å; V37-L84 HydrophobicContact CG2-CD2 4.23Å; V37-F88 HydrophobicContact CG2-CE2 4.22Å
38	P	94.4	Very high	89.7	Confident	95 Å²	95	72 Å²	72	62%	0.617	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30	-173.1	-29.3	35.6	0	0	0	114.9	C40 D41	P38-C40 PolarHBondContact O-N 3.31Å; P38-C40 VanDerWaalsContact O-N 3.15Å; P38-D41 VanDerWaalsContact O-CB 3.3Å; P38-D41 WeakPolarHBondContact O-CB 3.17Å; P38-D41 VanDerWaalsContact O-CG 3.24Å; P38-D41 PolarHBondContact O-N 3.27Å; P38-D41 VanDerWaalsContact O-N 3.07Å
39	E	94.9	Very high	91.1	Very high	131 Å²	131	71.3 Å²	71.3	61%	0.612	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.6	176.3	78.6	-165.5	170.5	0	0	113.4	V37 A83	V37-E39 HydrophobicContact CG1-CG 3.65Å; V37-E39 PolarHBondContact O-N 3Å; E39-A83 WeakPolarHBondContact OE1-CB 3.39Å
40	C	97.7	Very high	92.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-93.7	1	176.6	-57.2	0	0	0	0	113.8	V37 P38 T42 V43 K44 Y76 C79	V37-C40 WeakPolarHBondContact O-CB 3.4Å; V37-C40 PolarHBondContact O-N 3.28Å; P38-C40 PolarHBondContact O-N 3.31Å; P38-C40 VanDerWaalsContact O-N 3.15Å; C40-T42 PolarHBondContact O-N 3.45Å; C40-V43 HydrophobicContact CB-CG2 4.1Å; C40-V43 WeakPolarHBondContact O-CG2 3.09Å; C40-V43 PolarHBondContact O-N 3.49Å; C40-K44 VanDerWaalsContact O-CB 3.3Å; C40-K44 WeakPolarHBondContact O-CB 3.42Å; C40-K44 PolarHBondContact O-N 3.02Å; C40-Y76 HydrophobicContact CB-CD2 4.31Å; C40-Y76 HydrophobicContact CB-CE2 4.19Å; C40-C79 WeakPolarHBondContact CA-SG 3.27Å; C40-C79 HydrophobicContact CB-CB 3.97Å; C40-C79 WeakPolarHBondContact CB-SG 3.49Å; C40-C79 WeakPolarHBondContact SG-CB 3.42Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 3.21Å
41	D	96.6	Very high	94	Very high	57 Å²	57	62 Å²	62	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-42.3	-174.6	-78	-7.6	0	0	0	113.2	S35 P38 K44 T45	S35-D41 WeakPolarHBondContact CA-OD1 3.11Å; S35-D41 WeakPolarHBondContact CB-OD1 3.34Å; S35-D41 PolarHBondContact N-OD1 3.44Å; P38-D41 VanDerWaalsContact O-CB 3.3Å; P38-D41 WeakPolarHBondContact O-CB 3.17Å; P38-D41 VanDerWaalsContact O-CG 3.24Å; P38-D41 PolarHBondContact O-N 3.27Å; P38-D41 VanDerWaalsContact O-N 3.07Å; D41-K44 PolarHBondContact O-N 3.46Å; D41-T45 VanDerWaalsContact O-CB 3.27Å; D41-T45 WeakPolarHBondContact O-CB 3.4Å; D41-T45 PolarHBondContact O-N 3.46Å; D41-T45 PolarHBondContact O-OG1 3.44Å
42	T	96.6	Very high	94.7	Very high	116 Å²	116	61.9 Å²	61.9	71%	0.712	34%	0.342	S	S	*	.	H	α-helix	trans	-65.5	-44.5	-179.5	-52	0	0	0	0	111.6	C40 T45 A46	C40-T42 PolarHBondContact O-N 3.45Å; T42-T45 WeakPolarHBondContact O-CB 3.33Å; T42-T45 PolarHBondContact O-N 3.4Å; T42-A46 PolarHBondContact O-N 2.89Å
43	V	97.7	Very high	95.3	Very high	42 Å²	42	64.9 Å²	64.9	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-73	-33.4	179.9	-63.7	0	0	0	0	111.7	C40 A46 Y47 I75 Y76 C79	C40-V43 HydrophobicContact CB-CG2 4.1Å; C40-V43 WeakPolarHBondContact O-CG2 3.09Å; C40-V43 PolarHBondContact O-N 3.49Å; V43-A46 PolarHBondContact O-N 3.41Å; V43-Y47 PolarHBondContact O-N 2.95Å; V43-I75 HydrophobicContact CB-CG2 4.04Å; V43-I75 HydrophobicContact CG1-CG2 3.7Å; V43-Y76 HydrophobicContact CG2-CD2 4.15Å; V43-C79 HydrophobicContact CG2-CB 4Å
44	K	97.5	Very high	95.5	Very high	29 Å²	29	60 Å²	60	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-47.5	169.6	-174.2	-171.2	-179.4	-49.5	0	110.7	L33 C40 D41 A46 Y47 D48 Y76	L33-K44 WeakPolarHBondContact O-CE 3.26Å; L33-K44 PolarHBondContact O-NZ 3.27Å; C40-K44 VanDerWaalsContact O-CB 3.3Å; C40-K44 WeakPolarHBondContact O-CB 3.42Å; C40-K44 PolarHBondContact O-N 3.02Å; D41-K44 PolarHBondContact O-N 3.46Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.18Å; K44-Y47 CarbonylContact O-C 3.58Å; K44-Y47 WeakPolarHBondContact O-CA 3.45Å; K44-Y47 PolarHBondContact O-N 3.24Å; K44-D48 IonicContact NZ-OD1 2.82Å; K44-D48 PolarHBondContact NZ-OD1 3.05Å; K44-D48 IonicContact NZ-OD2 2.91Å; K44-D48 PolarHBondContact NZ-OD2 3.05Å; K44-D48 VanDerWaalsContact O-CG 3.24Å; K44-D48 PolarHBondContact O-N 2.04Å; K44-Y76 HydrophobicContact CB-CD2 3.87Å; K44-Y76 HydrophobicContact CB-CE2 3.61Å; K44-Y76 HydrophobicContact CB-CG 4.46Å; K44-Y76 HydrophobicContact CD-CE2 4.34Å; K44-Y76 HydrophobicContact CG-CD2 4.43Å; K44-Y76 HydrophobicContact CG-CE1 4.15Å; K44-Y76 HydrophobicContact CG-CE2 3.88Å
45	T	95.3	Very high	95.7	Very high	54 Å²	54	61.7 Å²	61.7	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-42.9	178.6	-63.2	0	0	0	0	111	R32 D41 T42 Y47 L49	R32-T45 VanDerWaalsContact CZ-CG2 3.45Å; R32-T45 VanDerWaalsContact NH1-CG2 3.26Å; R32-T45 VanDerWaalsContact NH2-CA 3.32Å; R32-T45 PolarHBondContact NH2-O 3.45Å; D41-T45 VanDerWaalsContact O-CB 3.27Å; D41-T45 WeakPolarHBondContact O-CB 3.4Å; D41-T45 PolarHBondContact O-N 3.46Å; D41-T45 PolarHBondContact O-OG1 3.44Å; T42-T45 WeakPolarHBondContact O-CB 3.33Å; T42-T45 PolarHBondContact O-N 3.4Å; T45-Y47 VanDerWaalsContact C-N 3.34Å; T45-Y47 PolarHBondContact O-N 3.1Å; T45-L49 WeakPolarHBondContact O-CG 3.43Å; T45-L49 PolarHBondContact O-N 2.67Å
46	A	96.5	Very high	95.7	Very high	43 Å²	43	63.9 Å²	63.9	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-41.5	174.7	0	0	0	0	0	112.3	T42 V43 K44 C50 K72	T42-A46 PolarHBondContact O-N 2.89Å; V43-A46 PolarHBondContact O-N 3.41Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.18Å; A46-C50 PolarHBondContact O-N 2.82Å; A46-K72 WeakPolarHBondContact O-CD 3.38Å
47	Y	97.4	Very high	95.9	Very high	44 Å²	44	62.3 Å²	62.3	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-66.3	-50.8	176.8	170.1	-107.2	0	0	0	112.6	V43 K44 T45 L49 C50 F51 C69 K72 L73 Y76	V43-Y47 PolarHBondContact O-N 2.95Å; K44-Y47 CarbonylContact O-C 3.58Å; K44-Y47 WeakPolarHBondContact O-CA 3.45Å; K44-Y47 PolarHBondContact O-N 3.24Å; T45-Y47 VanDerWaalsContact C-N 3.34Å; T45-Y47 PolarHBondContact O-N 3.1Å; Y47-L49 PolarHBondContact O-N 3.29Å; Y47-C50 WeakPolarHBondContact O-CB 3.08Å; Y47-C50 PolarHBondContact O-N 2.98Å; Y47-C50 VanDerWaalsContact O-N 3.12Å; Y47-F51 PolarHBondContact O-N 2.83Å; Y47-C69 HydrophobicContact CD2-CB 4.3Å; Y47-C69 HydrophobicContact CE2-CB 4.12Å; Y47-K72 HydrophobicContact CD2-CB 4.42Å; Y47-L73 HydrophobicContact CD2-CB 3.73Å; Y47-L73 HydrophobicContact CD2-CD1 4.18Å; Y47-L73 HydrophobicContact CD2-CG 4.5Å; Y47-L73 HydrophobicContact CE1-CD1 4.12Å; Y47-L73 HydrophobicContact CE2-CB 3.59Å; Y47-L73 HydrophobicContact CE2-CD1 3.73Å; Y47-L73 HydrophobicContact CE2-CD2 4.25Å; Y47-L73 HydrophobicContact CE2-CG 4.04Å; Y47-Y76 HydrophobicContact CD1-CD1 4.13Å
48	D	95.9	Very high	95.9	Very high	26 Å²	26	67.1 Å²	67.1	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-27.5	-175.8	-22.1	-66.8	0	0	0	112.3	R32 K44 F51 Q52	R32-D48 IonicContact CZ-OD2 3.64Å; R32-D48 IonicContact NE-OD2 3.17Å; R32-D48 PolarHBondContact NE-OD2 3.07Å; R32-D48 VanDerWaalsContact NH2-CB 3.28Å; R32-D48 IonicContact NH2-OD2 3.54Å; R32-D48 PolarHBondContact NH2-OD2 2.71Å; R32-D48 VanDerWaalsContact NH2-OD2 3.14Å; K44-D48 IonicContact NZ-OD1 2.82Å; K44-D48 PolarHBondContact NZ-OD1 3.05Å; K44-D48 IonicContact NZ-OD2 2.91Å; K44-D48 PolarHBondContact NZ-OD2 3.05Å; K44-D48 VanDerWaalsContact O-CG 3.24Å; K44-D48 PolarHBondContact O-N 2.04Å; D48-F51 PolarHBondContact O-N 2.87Å; D48-Q52 WeakPolarHBondContact O-CB 3.05Å; D48-Q52 WeakPolarHBondContact O-CG 3.37Å; D48-Q52 PolarHBondContact O-N 3.15Å; D48-Q52 PolarHBondContact O-NE2 2.85Å
49	L	94.6	Very high	96	Very high	86 Å²	86	68.2 Å²	68.2	45%	0.45	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-46.4	173.8	-75.2	176.1	0	0	0	110.4	T45 Y47 F51 Q52 E53	T45-L49 WeakPolarHBondContact O-CG 3.43Å; T45-L49 PolarHBondContact O-N 2.67Å; Y47-L49 PolarHBondContact O-N 3.29Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 3.45Å; L49-Q52 PolarHBondContact O-N 3.43Å; L49-E53 PolarHBondContact O-N 3.36Å
50	C	97.5	Very high	96	Very high	19 Å²	19	69.9 Å²	69.9	13%	0.128	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-46.1	174.8	-175.6	0	0	0	0	111.3	A46 Y47 Q52 E53 F54 C69 K72	A46-C50 PolarHBondContact O-N 2.82Å; Y47-C50 WeakPolarHBondContact O-CB 3.08Å; Y47-C50 PolarHBondContact O-N 2.98Å; Y47-C50 VanDerWaalsContact O-N 3.12Å; C50-Q52 PolarHBondContact O-N 3.26Å; C50-E53 PolarHBondContact O-N 2.9Å; C50-F54 VanDerWaalsContact O-CB 3.31Å; C50-F54 WeakPolarHBondContact O-CB 3.3Å; C50-F54 PolarHBondContact O-N 3.45Å; C50-C69 HydrophobicContact CB-CB 3.98Å; C50-C69 WeakPolarHBondContact CB-SG 3.4Å; C50-C69 PolarHBondContact O-SG 2.83Å; C50-C69 WeakPolarHBondContact SG-CA 3.34Å; C50-C69 WeakPolarHBondContact SG-CB 3.31Å; C50-C69 CovalentContact SG-SG 2.05Å; C50-C69 PolarHBondContact SG-SG 3.35Å; C50-K72 HydrophobicContact CB-CD 3.79Å
51	F	95.9	Very high	95.8	Very high	72 Å²	72	72.5 Å²	72.5	32%	0.316	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-39.6	-179.6	-173.4	-97.6	0	0	0	112.5	Y47 D48 L49 E53 F54 F55	Y47-F51 PolarHBondContact O-N 2.83Å; D48-F51 PolarHBondContact O-N 2.87Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 3.45Å; F51-E53 VanDerWaalsContact C-N 3.27Å; F51-E53 PolarHBondContact O-N 3.01Å; F51-F54 HydrophobicContact CD2-CD1 4.14Å; F51-F54 HydrophobicContact CE2-CD1 4.29Å; F51-F54 HydrophobicContact CE2-CE1 4.5Å; F51-F54 PolarHBondContact O-N 3.23Å; F51-F55 HydrophobicContact CD1-CB 4.15Å; F51-F55 HydrophobicContact CE1-CB 3.76Å; F51-F55 HydrophobicContact CE1-CD1 4.22Å; F51-F55 HydrophobicContact CE1-CD2 4.07Å; F51-F55 AromaticContact CE1-CG 3.77Å; F51-F55 HydrophobicContact CE1-CG 3.77Å; F51-F55 HydrophobicContact CE2-CB 4.23Å; F51-F55 HydrophobicContact CE2-CD2 4.01Å; F51-F55 HydrophobicContact CE2-CG 4.37Å; F51-F55 HydrophobicContact CZ-CB 3.81Å; F51-F55 HydrophobicContact CZ-CD1 4.37Å; F51-F55 AromaticContact CZ-CD2 3.42Å; F51-F55 HydrophobicContact CZ-CD2 3.42Å; F51-F55 VanDerWaalsContact CZ-CD2 3.42Å; F51-F55 HydrophobicContact CZ-CE2 4.03Å; F51-F55 AromaticContact CZ-CG 3.62Å; F51-F55 HydrophobicContact CZ-CG 3.62Å; F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.38Å
52	Q	94.2	Very high	95.7	Very high	84 Å²	84	74.8 Å²	74.8	39%	0.393	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-31.3	176.5	-77.2	166.8	72.5	0	0	112.7	D48 L49 C50 P56	D48-Q52 WeakPolarHBondContact O-CB 3.05Å; D48-Q52 WeakPolarHBondContact O-CG 3.37Å; D48-Q52 PolarHBondContact O-N 3.15Å; D48-Q52 PolarHBondContact O-NE2 2.85Å; L49-Q52 PolarHBondContact O-N 3.43Å; C50-Q52 PolarHBondContact O-N 3.26Å; Q52-P56 WeakPolarHBondContact O-CD 3.32Å; Q52-P56 VanDerWaalsContact O-CG 3.27Å; Q52-P56 WeakPolarHBondContact O-CG 3.16Å
53	E	94.5	Very high	95.4	Very high	132 Å²	132	77.2 Å²	77.2	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-80.5	-37.3	173.7	-68.3	-179.8	-171.2	0	0	113	L49 C50 F51 K57	L49-E53 PolarHBondContact O-N 3.36Å; C50-E53 PolarHBondContact O-N 2.9Å; F51-E53 VanDerWaalsContact C-N 3.27Å; F51-E53 PolarHBondContact O-N 3.01Å; E53-K57 WeakPolarHBondContact O-CD 3.4Å
54	F	95.8	Very high	95.1	Very high	36 Å²	36	79.2 Å²	79.2	16%	0.158	40%	0.4	C	S	.	.	H	α-helix	trans	-72.2	-50.1	-178.4	162.9	-101.4	0	0	0	112.2	C50 F51 K57 F58 Y64 P68	C50-F54 VanDerWaalsContact O-CB 3.31Å; C50-F54 WeakPolarHBondContact O-CB 3.3Å; C50-F54 PolarHBondContact O-N 3.45Å; F51-F54 HydrophobicContact CD2-CD1 4.14Å; F51-F54 HydrophobicContact CE2-CD1 4.29Å; F51-F54 HydrophobicContact CE2-CE1 4.5Å; F51-F54 PolarHBondContact O-N 3.23Å; F54-K57 WeakPolarHBondContact O-CB 3.4Å; F54-K57 PolarHBondContact O-N 3.43Å; F54-F58 HydrophobicContact CE1-CB 4.08Å; F54-F58 HydrophobicContact CE1-CG 4.35Å; F54-F58 HydrophobicContact CE2-CB 4.21Å; F54-F58 HydrophobicContact CZ-CB 3.88Å; F54-F58 HydrophobicContact CZ-CD2 4.06Å; F54-F58 HydrophobicContact CZ-CG 4.11Å; F54-F58 PolarHBondContact O-N 3.12Å; F54-Y64 AromaticContact CD2-CD2 3.92Å; F54-Y64 HydrophobicContact CD2-CD2 3.92Å; F54-Y64 AromaticContact CD2-CE2 3.67Å; F54-Y64 HydrophobicContact CD2-CE2 3.67Å; F54-Y64 AromaticContact CE2-CD2 3.59Å; F54-Y64 HydrophobicContact CE2-CD2 3.59Å; F54-Y64 AromaticContact CE2-CE2 3.77Å; F54-Y64 HydrophobicContact CE2-CE2 3.77Å; F54-Y64 HydrophobicContact CE2-CG 4.44Å; F54-P68 HydrophobicContact CB-CG 4.28Å; F54-P68 HydrophobicContact CD2-CG 3.5Å; F54-P68 VanDerWaalsContact CD2-CG 3.5Å; F54-P68 HydrophobicContact CE2-CG 4.17Å; F54-P68 HydrophobicContact CG-CG 4.14Å
55	F	95.2	Very high	94.8	Very high	82 Å²	82	87.6 Å²	87.6	36%	0.36	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-42.2	-166.8	-171.5	-114.4	0	0	0	113.8	F51 K57 F58 L59	F51-F55 HydrophobicContact CD1-CB 4.15Å; F51-F55 HydrophobicContact CE1-CB 3.76Å; F51-F55 HydrophobicContact CE1-CD1 4.22Å; F51-F55 HydrophobicContact CE1-CD2 4.07Å; F51-F55 AromaticContact CE1-CG 3.77Å; F51-F55 HydrophobicContact CE1-CG 3.77Å; F51-F55 HydrophobicContact CE2-CB 4.23Å; F51-F55 HydrophobicContact CE2-CD2 4.01Å; F51-F55 HydrophobicContact CE2-CG 4.37Å; F51-F55 HydrophobicContact CZ-CB 3.81Å; F51-F55 HydrophobicContact CZ-CD1 4.37Å; F51-F55 AromaticContact CZ-CD2 3.42Å; F51-F55 HydrophobicContact CZ-CD2 3.42Å; F51-F55 VanDerWaalsContact CZ-CD2 3.42Å; F51-F55 HydrophobicContact CZ-CE2 4.03Å; F51-F55 AromaticContact CZ-CG 3.62Å; F51-F55 HydrophobicContact CZ-CG 3.62Å; F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 2.82Å; F55-F58 HydrophobicContact CD2-CD1 4.15Å; F55-F58 HydrophobicContact CE2-CD1 4.17Å; F55-F58 WeakPolarHBondContact O-CB 3.43Å; F55-F58 PolarHBondContact O-N 3Å; F55-L59 HydrophobicContact CD1-CD1 4.03Å; F55-L59 HydrophobicContact CD1-CG 4.41Å; F55-L59 HydrophobicContact CE1-CD1 3.68Å; F55-L59 HydrophobicContact CE1-CD2 4.42Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD2 4.31Å; F55-L59 HydrophobicContact CE2-CG 4.45Å; F55-L59 HydrophobicContact CZ-CD1 4.12Å; F55-L59 HydrophobicContact CZ-CD2 4.01Å; F55-L59 HydrophobicContact CZ-CG 4.17Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.88Å
56	P	95.4	Very high	94.7	Very high	61 Å²	61	90 Å²	90	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-33.5	174.7	-23.6	35.1	0	0	0	113.3	Q52 K60	Q52-P56 WeakPolarHBondContact O-CD 3.32Å; Q52-P56 VanDerWaalsContact O-CG 3.27Å; Q52-P56 WeakPolarHBondContact O-CG 3.16Å; P56-K60 WeakPolarHBondContact O-CG 3.28Å; P56-K60 PolarHBondContact O-N 3.13Å
57	K	95.8	Very high	94.5	Very high	91 Å²	91	91.2 Å²	91.2	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-72.9	-42.7	176.9	-62.8	172.6	-173.6	166.3	0	110.3	E53 F54 F55 L59 K60 G61 H62 Y64	E53-K57 WeakPolarHBondContact O-CD 3.4Å; F54-K57 WeakPolarHBondContact O-CB 3.4Å; F54-K57 PolarHBondContact O-N 3.43Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 2.82Å; K57-L59 VanDerWaalsContact C-N 3.32Å; K57-L59 PolarHBondContact O-N 3.27Å; K57-K60 PolarHBondContact O-N 3.4Å; K57-K60 VanDerWaalsContact O-N 3.1Å; K57-G61 PolarHBondContact O-N 3.17Å; K57-H62 HydrophobicContact CB-CB 4.1Å; K57-H62 WeakPolarHBondContact O-CB 3.36Å; K57-H62 PolarHBondContact O-CD2 3.43Å; K57-H62 VanDerWaalsContact O-CD2 3.24Å; K57-H62 PolarHBondContact O-N 3.31Å; K57-Y64 HydrophobicContact CB-CE2 4.42Å; K57-Y64 WeakPolarHBondContact CD-OH 3.25Å
58	F	95.1	Very high	94.4	Very high	110 Å²	110	91.8 Å²	91.8	48%	0.482	46%	0.464	S	S	.	.	H	α-helix	trans	-55.1	-46.7	172	171.6	-99.7	0	0	0	111.7	F54 F55 K60 G61	F54-F58 HydrophobicContact CE1-CB 4.08Å; F54-F58 HydrophobicContact CE1-CG 4.35Å; F54-F58 HydrophobicContact CE2-CB 4.21Å; F54-F58 HydrophobicContact CZ-CB 3.88Å; F54-F58 HydrophobicContact CZ-CD2 4.06Å; F54-F58 HydrophobicContact CZ-CG 4.11Å; F54-F58 PolarHBondContact O-N 3.12Å; F55-F58 HydrophobicContact CD2-CD1 4.15Å; F55-F58 HydrophobicContact CE2-CD1 4.17Å; F55-F58 WeakPolarHBondContact O-CB 3.43Å; F55-F58 PolarHBondContact O-N 3Å; F58-K60 PolarHBondContact O-N 3.47Å; F58-G61 PolarHBondContact O-N 3.41Å
59	L	95	Very high	94.5	Very high	117 Å²	117	90.6 Å²	90.6	61%	0.613	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-28.4	177.2	-69	179.7	0	0	0	113.7	F55 K57 G61	F55-L59 HydrophobicContact CD1-CD1 4.03Å; F55-L59 HydrophobicContact CD1-CG 4.41Å; F55-L59 HydrophobicContact CE1-CD1 3.68Å; F55-L59 HydrophobicContact CE1-CD2 4.42Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD2 4.31Å; F55-L59 HydrophobicContact CE2-CG 4.45Å; F55-L59 HydrophobicContact CZ-CD1 4.12Å; F55-L59 HydrophobicContact CZ-CD2 4.01Å; F55-L59 HydrophobicContact CZ-CG 4.17Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.88Å; K57-L59 VanDerWaalsContact C-N 3.32Å; K57-L59 PolarHBondContact O-N 3.27Å; L59-G61 PolarHBondContact O-N 3.05Å
60	K	96.4	Very high	94.6	Very high	167 Å²	167	92.2 Å²	92.2	73%	0.726	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	2	174.2	-70.2	173.3	-177.3	-178.9	0	113.4	P56 K57 F58	P56-K60 WeakPolarHBondContact O-CG 3.28Å; P56-K60 PolarHBondContact O-N 3.13Å; K57-K60 PolarHBondContact O-N 3.4Å; K57-K60 VanDerWaalsContact O-N 3.1Å; F58-K60 PolarHBondContact O-N 3.47Å
61	G	93.7	Very high	94.6	Very high	55 Å²	55	94.9 Å²	94.9	57%	0.567	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	14.9	179.4	0	0	0	0	0	114.4	K57 F58 L59 I63	K57-G61 PolarHBondContact O-N 3.17Å; F58-G61 PolarHBondContact O-N 3.41Å; L59-G61 PolarHBondContact O-N 3.05Å; G61-I63 PolarHBondContact O-N 2.74Å
62	H	94	Very high	94.7	Very high	105 Å²	105	95.6 Å²	95.6	49%	0.486	49%	0.485	S	S	.	.			trans	-65.9	124.3	169.7	-69.3	-83.8	0	0	0	109.7	K57 Y64	K57-H62 HydrophobicContact CB-CB 4.1Å; K57-H62 WeakPolarHBondContact O-CB 3.36Å; K57-H62 PolarHBondContact O-CD2 3.43Å; K57-H62 VanDerWaalsContact O-CD2 3.24Å; K57-H62 PolarHBondContact O-N 3.31Å; H62-Y64 HydrophobicContact CB-CE2 4.26Å
63	I	90.8	Very high	94.8	Very high	167 Å²	167	93.5 Å²	93.5	86%	0.856	48%	0.476	S	S	*	.			trans	-97.8	130	177.4	-56.9	176.5	0	0	0	108.2	G61	G61-I63 PolarHBondContact O-N 2.74Å
64	Y	91.2	Very high	94.9	Very high	84 Å²	84	93.4 Å²	93.4	33%	0.329	47%	0.474	S	S	.	.			trans	-106.6	136.5	171.4	-63.9	-91.8	0	0	0	108.8	F54 K57 H62 T66 P68	F54-Y64 AromaticContact CD2-CD2 3.92Å; F54-Y64 HydrophobicContact CD2-CD2 3.92Å; F54-Y64 AromaticContact CD2-CE2 3.67Å; F54-Y64 HydrophobicContact CD2-CE2 3.67Å; F54-Y64 AromaticContact CE2-CD2 3.59Å; F54-Y64 HydrophobicContact CE2-CD2 3.59Å; F54-Y64 AromaticContact CE2-CE2 3.77Å; F54-Y64 HydrophobicContact CE2-CE2 3.77Å; F54-Y64 HydrophobicContact CE2-CG 4.44Å; K57-Y64 HydrophobicContact CB-CE2 4.42Å; K57-Y64 WeakPolarHBondContact CD-OH 3.25Å; H62-Y64 HydrophobicContact CB-CE2 4.26Å; Y64-T66 WeakPolarHBondContact CB-O 3.3Å; Y64-T66 PolarHBondContact O-N 2.84Å; Y64-P68 HydrophobicContact CD1-CG 4.35Å; Y64-P68 HydrophobicContact CE1-CG 4.44Å
65	E	91.3	Very high	95	Very high	205 Å²	205	96.4 Å²	96.4	96%	0.958	49%	0.49	S	S	*	.	S	Bend	trans	-64.2	-35	174.3	-65.6	-174.7	170.8	0	0	111.5
66	T	92.3	Very high	95.2	Very high	104 Å²	104	94.1 Å²	94.1	64%	0.638	48%	0.479	S	S	*	.	S	Bend	trans	-131.7	146	177.6	58.3	0	0	0	0	109.9	Y64 P68	Y64-T66 WeakPolarHBondContact CB-O 3.3Å; Y64-T66 PolarHBondContact O-N 2.84Å; T66-P68 VanDerWaalsContact O-CD 3.32Å; T66-P68 WeakPolarHBondContact O-CD 3.27Å
67	D	92.1	Very high	95.2	Very high	68 Å²	68	95.7 Å²	95.7	36%	0.364	48%	0.482	S	S	.	.			trans	-64.1	115.6	175.4	173.4	-0.6	0	0	0	110	C69 E70	D67-C69 PolarHBondContact O-N 3.35Å; D67-C69 VanDerWaalsContact O-N 3.15Å; D67-C69 WeakPolarHBondContact OD1-CA 3.15Å; D67-C69 PolarHBondContact OD1-N 2.99Å; D67-E70 HydrophobicContact CB-CB 4.05Å; D67-E70 WeakPolarHBondContact O-CB 3.49Å; D67-E70 PolarHBondContact O-N 3.39Å; D67-E70 PolarHBondContact OD1-N 3.25Å
68	P	95.9	Very high	95.2	Very high	56 Å²	56	95.2 Å²	95.2	36%	0.364	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.3	-177.2	28	-34.9	0	0	0	113.2	F54 Y64 T66	F54-P68 HydrophobicContact CB-CG 4.28Å; F54-P68 HydrophobicContact CD2-CG 3.5Å; F54-P68 VanDerWaalsContact CD2-CG 3.5Å; F54-P68 HydrophobicContact CE2-CG 4.17Å; F54-P68 HydrophobicContact CG-CG 4.14Å; Y64-P68 HydrophobicContact CD1-CG 4.35Å; Y64-P68 HydrophobicContact CE1-CG 4.44Å; T66-P68 VanDerWaalsContact O-CD 3.32Å; T66-P68 WeakPolarHBondContact O-CD 3.27Å
69	C	97.4	Very high	95.3	Very high	2 Å²	2	91.4 Å²	91.4	1%	0.014	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-1.3	-178	-55	0	0	0	0	113.5	Y47 C50 D67 S71 K72 L73	Y47-C69 HydrophobicContact CD2-CB 4.3Å; Y47-C69 HydrophobicContact CE2-CB 4.12Å; C50-C69 HydrophobicContact CB-CB 3.98Å; C50-C69 WeakPolarHBondContact CB-SG 3.4Å; C50-C69 PolarHBondContact O-SG 2.83Å; C50-C69 WeakPolarHBondContact SG-CA 3.34Å; C50-C69 WeakPolarHBondContact SG-CB 3.31Å; C50-C69 CovalentContact SG-SG 2.05Å; C50-C69 PolarHBondContact SG-SG 3.35Å; D67-C69 PolarHBondContact O-N 3.35Å; D67-C69 VanDerWaalsContact O-N 3.15Å; D67-C69 WeakPolarHBondContact OD1-CA 3.15Å; D67-C69 PolarHBondContact OD1-N 2.99Å; C69-S71 PolarHBondContact O-N 2.68Å; C69-K72 PolarHBondContact O-N 3.44Å; C69-K72 VanDerWaalsContact O-N 3.12Å; C69-L73 WeakPolarHBondContact O-CB 3.4Å; C69-L73 PolarHBondContact O-N 2.8Å
70	E	96.2	Very high	95.3	Very high	119 Å²	119	87.2 Å²	87.2	56%	0.556	45%	0.448	S	S	*	.	H	α-helix	trans	-52.9	-48.8	-173.2	-175.2	179	-176	0	0	112.7	D67 K72 L73 K74	D67-E70 HydrophobicContact CB-CB 4.05Å; D67-E70 WeakPolarHBondContact O-CB 3.49Å; D67-E70 PolarHBondContact O-N 3.39Å; D67-E70 PolarHBondContact OD1-N 3.25Å; E70-K72 PolarHBondContact O-N 2.91Å; E70-L73 PolarHBondContact O-N 3.24Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 PolarHBondContact O-N 3.15Å
71	S	97.4	Very high	95.2	Very high	76 Å²	76	82.2 Å²	82.2	53%	0.531	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-43.3	-179	59.5	0	0	0	0	112.4	C69 K74 I75	C69-S71 PolarHBondContact O-N 2.68Å; S71-K74 PolarHBondContact O-N 3.12Å; S71-I75 VanDerWaalsContact O-CG1 3.32Å; S71-I75 WeakPolarHBondContact O-CG1 3.46Å; S71-I75 PolarHBondContact O-N 2.82Å; S71-I75 VanDerWaalsContact O-N 3.13Å
72	K	98	Very high	95.2	Very high	86 Å²	86	83.6 Å²	83.6	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-68.2	-41.6	178.7	-59.6	-177.8	-169.7	-64.2	0	110.9	A46 Y47 C50 C69 E70 I75 Y76	A46-K72 WeakPolarHBondContact O-CD 3.38Å; Y47-K72 HydrophobicContact CD2-CB 4.42Å; C50-K72 HydrophobicContact CB-CD 3.79Å; C69-K72 PolarHBondContact O-N 3.44Å; C69-K72 VanDerWaalsContact O-N 3.12Å; E70-K72 PolarHBondContact O-N 2.91Å; K72-I75 PolarHBondContact O-N 2.94Å; K72-Y76 PolarHBondContact O-N 3.25Å
73	L	97.3	Very high	95.2	Very high	41 Å²	41	78.6 Å²	78.6	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-60.2	-46.7	175.7	179.6	54.2	0	0	0	110.9	Y47 C69 E70 I75 Y76 Q77	Y47-L73 HydrophobicContact CD2-CB 3.73Å; Y47-L73 HydrophobicContact CD2-CD1 4.18Å; Y47-L73 HydrophobicContact CD2-CG 4.5Å; Y47-L73 HydrophobicContact CE1-CD1 4.12Å; Y47-L73 HydrophobicContact CE2-CB 3.59Å; Y47-L73 HydrophobicContact CE2-CD1 3.73Å; Y47-L73 HydrophobicContact CE2-CD2 4.25Å; Y47-L73 HydrophobicContact CE2-CG 4.04Å; C69-L73 WeakPolarHBondContact O-CB 3.4Å; C69-L73 PolarHBondContact O-N 2.8Å; E70-L73 PolarHBondContact O-N 3.24Å; L73-I75 VanDerWaalsContact C-N 3.35Å; L73-I75 PolarHBondContact O-N 3.12Å; L73-Y76 PolarHBondContact O-N 3.45Å; L73-Q77 HydrophobicContact CD1-CG 3.97Å; L73-Q77 HydrophobicContact CG-CG 4.33Å; L73-Q77 WeakPolarHBondContact O-CB 3.07Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.06Å
74	K	96.9	Very high	95.2	Very high	130 Å²	130	71.8 Å²	71.8	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-42.6	179	-172.5	173.8	-176.7	175.2	0	112.3	E70 S71 Q77 N78	E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 PolarHBondContact O-N 3.15Å; S71-K74 PolarHBondContact O-N 3.12Å; K74-Q77 PolarHBondContact O-N 3.27Å; K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.72Å; K74-N78 PolarHBondContact O-ND2 3.28Å
75	I	98.1	Very high	95.2	Very high	98 Å²	98	72.9 Å²	72.9	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-46.4	176.1	-67.3	165.1	0	0	0	110.6	V43 S71 K72 L73 N78 C79	V43-I75 HydrophobicContact CB-CG2 4.04Å; V43-I75 HydrophobicContact CG1-CG2 3.7Å; S71-I75 VanDerWaalsContact O-CG1 3.32Å; S71-I75 WeakPolarHBondContact O-CG1 3.46Å; S71-I75 PolarHBondContact O-N 2.82Å; S71-I75 VanDerWaalsContact O-N 3.13Å; K72-I75 PolarHBondContact O-N 2.94Å; L73-I75 VanDerWaalsContact C-N 3.35Å; L73-I75 PolarHBondContact O-N 3.12Å; I75-N78 PolarHBondContact O-N 3.41Å; I75-C79 PolarHBondContact O-N 3.35Å
76	Y	97.8	Very high	95.2	Very high	34 Å²	34	71.1 Å²	71.1	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-46.2	177.9	174.1	-134.3	0	0	0	112.2	C40 V43 K44 Y47 K72 L73 N78 C79 L80	C40-Y76 HydrophobicContact CB-CD2 4.31Å; C40-Y76 HydrophobicContact CB-CE2 4.19Å; V43-Y76 HydrophobicContact CG2-CD2 4.15Å; K44-Y76 HydrophobicContact CB-CD2 3.87Å; K44-Y76 HydrophobicContact CB-CE2 3.61Å; K44-Y76 HydrophobicContact CB-CG 4.46Å; K44-Y76 HydrophobicContact CD-CE2 4.34Å; K44-Y76 HydrophobicContact CG-CD2 4.43Å; K44-Y76 HydrophobicContact CG-CE1 4.15Å; K44-Y76 HydrophobicContact CG-CE2 3.88Å; Y47-Y76 HydrophobicContact CD1-CD1 4.13Å; K72-Y76 PolarHBondContact O-N 3.25Å; L73-Y76 PolarHBondContact O-N 3.45Å; Y76-N78 PolarHBondContact O-N 3.37Å; Y76-C79 WeakPolarHBondContact O-CB 3.45Å; Y76-C79 PolarHBondContact O-N 3.14Å; Y76-L80 HydrophobicContact CD1-CD1 4.43Å; Y76-L80 HydrophobicContact CD2-CD1 4.26Å; Y76-L80 HydrophobicContact CD2-CG 4.05Å; Y76-L80 HydrophobicContact CE1-CD1 3.86Å; Y76-L80 HydrophobicContact CE2-CD1 3.67Å; Y76-L80 HydrophobicContact CE2-CD2 3.83Å; Y76-L80 HydrophobicContact CE2-CG 3.56Å; Y76-L80 VanDerWaalsContact CZ-CD1 3.45Å; Y76-L80 PolarHBondContact O-N 3.41Å
77	Q	95.4	Very high	95	Very high	95 Å²	95	70 Å²	70	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-46.1	176.3	-75.9	176.3	-20.4	0	0	111.6	L73 K74 C79 L80 R81	L73-Q77 HydrophobicContact CD1-CG 3.97Å; L73-Q77 HydrophobicContact CG-CG 4.33Å; L73-Q77 WeakPolarHBondContact O-CB 3.07Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.06Å; K74-Q77 PolarHBondContact O-N 3.27Å; Q77-C79 VanDerWaalsContact C-N 3.35Å; Q77-C79 PolarHBondContact O-N 2.93Å; Q77-L80 PolarHBondContact O-N 2.82Å; Q77-R81 VanDerWaalsContact O-CG 3.25Å; Q77-R81 WeakPolarHBondContact O-CG 3.33Å; Q77-R81 PolarHBondContact O-N 3.29Å
78	N	96.2	Very high	94.6	Very high	80 Å²	80	72 Å²	72	43%	0.428	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-43.9	178.2	-71.3	-13.2	0	0	0	111.7	K74 I75 Y76 L80 R81 D82	K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.72Å; K74-N78 PolarHBondContact O-ND2 3.28Å; I75-N78 PolarHBondContact O-N 3.41Å; Y76-N78 PolarHBondContact O-N 3.37Å; N78-L80 PolarHBondContact O-N 3.02Å; N78-R81 PolarHBondContact O-N 2.64Å; N78-D82 PolarHBondContact O-N 3.2Å
79	C	97.6	Very high	94.1	Very high	30 Å²	30	76.3 Å²	76.3	20%	0.203	38%	0.379	C	S	.	.	H	α-helix	trans	-56.2	-50.2	175.1	-173.5	0	0	0	0	111.5	C40 V43 I75 Y76 Q77 R81 D82 A83	C40-C79 WeakPolarHBondContact CA-SG 3.27Å; C40-C79 HydrophobicContact CB-CB 3.97Å; C40-C79 WeakPolarHBondContact CB-SG 3.49Å; C40-C79 WeakPolarHBondContact SG-CB 3.42Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 3.21Å; V43-C79 HydrophobicContact CG2-CB 4Å; I75-C79 PolarHBondContact O-N 3.35Å; Y76-C79 WeakPolarHBondContact O-CB 3.45Å; Y76-C79 PolarHBondContact O-N 3.14Å; Q77-C79 VanDerWaalsContact C-N 3.35Å; Q77-C79 PolarHBondContact O-N 2.93Å; C79-R81 PolarHBondContact O-N 3.07Å; C79-D82 PolarHBondContact O-N 3.46Å; C79-A83 VanDerWaalsContact O-CB 3.28Å; C79-A83 WeakPolarHBondContact O-CB 3.08Å; C79-A83 PolarHBondContact O-N 3.44Å
80	L	95.1	Very high	93.5	Very high	30 Å²	30	80.2 Å²	80.2	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-48.5	176.6	-73.2	178	0	0	0	111.8	S35 I36 V37 Y76 Q77 N78 D82 A83 L84	S35-L80 WeakPolarHBondContact OG-CD2 3.32Å; I36-L80 HydrophobicContact CG2-CD2 4.08Å; V37-L80 HydrophobicContact CG2-CD2 4.26Å; Y76-L80 HydrophobicContact CD1-CD1 4.43Å; Y76-L80 HydrophobicContact CD2-CD1 4.26Å; Y76-L80 HydrophobicContact CD2-CG 4.05Å; Y76-L80 HydrophobicContact CE1-CD1 3.86Å; Y76-L80 HydrophobicContact CE2-CD1 3.67Å; Y76-L80 HydrophobicContact CE2-CD2 3.83Å; Y76-L80 HydrophobicContact CE2-CG 3.56Å; Y76-L80 VanDerWaalsContact CZ-CD1 3.45Å; Y76-L80 PolarHBondContact O-N 3.41Å; Q77-L80 PolarHBondContact O-N 2.82Å; N78-L80 PolarHBondContact O-N 3.02Å; L80-D82 VanDerWaalsContact C-N 3.32Å; L80-D82 PolarHBondContact O-N 2.05Å; L80-A83 PolarHBondContact O-N 2.91Å; L80-L84 HydrophobicContact CB-CD1 4.36Å; L80-L84 WeakPolarHBondContact O-CB 3.35Å; L80-L84 WeakPolarHBondContact O-CD1 3.2Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.17Å
81	R	93.9	Very high	92.8	Very high	62 Å²	62	79.7 Å²	79.7	23%	0.234	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-40.5	-175.6	-69	-174.7	81.1	89.3	2	111.9	Q77 N78 C79 K85 L92 D96	Q77-R81 VanDerWaalsContact O-CG 3.25Å; Q77-R81 WeakPolarHBondContact O-CG 3.33Å; Q77-R81 PolarHBondContact O-N 3.29Å; N78-R81 PolarHBondContact O-N 2.64Å; C79-R81 PolarHBondContact O-N 3.07Å; R81-K85 WeakPolarHBondContact O-CB 3.19Å; R81-K85 VanDerWaalsContact O-CG 3.25Å; R81-K85 WeakPolarHBondContact O-CG 3.35Å; R81-K85 PolarHBondContact O-N 3.22Å; R81-L92 HydrophobicContact CB-CD1 3.68Å; R81-L92 HydrophobicContact CG-CD1 3.78Å; R81-L92 VanDerWaalsContact NH2-CB 3.34Å; R81-D96 IonicContact CZ-OD1 2.98Å; R81-D96 VanDerWaalsContact CZ-OD1 3.23Å; R81-D96 IonicContact CZ-OD2 2.64Å; R81-D96 IonicContact NH1-OD1 3.14Å; R81-D96 PolarHBondContact NH1-OD1 2.92Å; R81-D96 IonicContact NH1-OD2 3.23Å; R81-D96 IonicContact NH2-OD1 2.71Å; R81-D96 PolarHBondContact NH2-OD1 3.26Å; R81-D96 IonicContact NH2-OD2 3.82Å; R81-D96 PolarHBondContact NH2-OD2 3.24Å
82	D	93.5	Very high	92.3	Very high	84 Å²	84	76.4 Å²	76.4	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-66.7	-43.7	177	-73.2	-12.2	0	0	0	111.3	N78 C79 L80 K86	N78-D82 PolarHBondContact O-N 3.2Å; C79-D82 PolarHBondContact O-N 3.46Å; L80-D82 VanDerWaalsContact C-N 3.32Å; L80-D82 PolarHBondContact O-N 2.05Å; D82-K86 WeakPolarHBondContact O-CB 3.2Å; D82-K86 VanDerWaalsContact O-CG 3.26Å; D82-K86 WeakPolarHBondContact O-CG 3.34Å; D82-K86 PolarHBondContact O-N 3.4Å
83	A	93.8	Very high	91.7	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-43.2	179.1	0	0	0	0	0	113.3	V37 E39 C79 L80 K85 K86 S87	V37-A83 HydrophobicContact CB-CB 3.96Å; V37-A83 HydrophobicContact CG1-CB 3.43Å; V37-A83 VanDerWaalsContact CG1-CB 3.43Å; V37-A83 HydrophobicContact CG2-CB 3.7Å; E39-A83 WeakPolarHBondContact OE1-CB 3.39Å; C79-A83 VanDerWaalsContact O-CB 3.28Å; C79-A83 WeakPolarHBondContact O-CB 3.08Å; C79-A83 PolarHBondContact O-N 3.44Å; L80-A83 PolarHBondContact O-N 2.91Å; A83-K85 VanDerWaalsContact C-N 3.33Å; A83-K85 PolarHBondContact O-N 3.45Å; A83-K86 PolarHBondContact O-N 3.22Å; A83-S87 VanDerWaalsContact O-CB 3.28Å; A83-S87 WeakPolarHBondContact O-CB 3.03Å; A83-S87 PolarHBondContact O-N 3.35Å; A83-S87 PolarHBondContact O-OG 2.81Å
84	L	92.4	Very high	90.9	Very high	24 Å²	24	82.1 Å²	82.1	13%	0.126	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-36.7	-179.5	-64.4	168.6	0	0	0	111.4	V37 L80 F88 N89 M90 L92	V37-L84 HydrophobicContact CG2-CD2 4.23Å; L80-L84 HydrophobicContact CB-CD1 4.36Å; L80-L84 WeakPolarHBondContact O-CB 3.35Å; L80-L84 WeakPolarHBondContact O-CD1 3.2Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.17Å; L84-F88 HydrophobicContact CD2-CD2 3.89Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 WeakPolarHBondContact O-CB 3.31Å; L84-F88 PolarHBondContact O-N 2.91Å; L84-N89 PolarHBondContact O-N 2.96Å; L84-M90 HydrophobicContact CB-CE 4.15Å; L84-M90 HydrophobicContact CD2-CE 3.32Å; L84-M90 HydrophobicContact CG-CE 4.2Å; L84-M90 PolarHBondContact O-N 2.89Å; L84-L92 HydrophobicContact CB-CD2 4.27Å; L84-L92 HydrophobicContact CD1-CD2 4.48Å
85	K	91.3	Very high	90	Very high	107 Å²	107	80.9 Å²	80.9	47%	0.465	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-45.7	172.4	-75.4	176.3	177.3	-175.8	0	112.1	R81 A83 N89 L92	R81-K85 WeakPolarHBondContact O-CB 3.19Å; R81-K85 VanDerWaalsContact O-CG 3.25Å; R81-K85 WeakPolarHBondContact O-CG 3.35Å; R81-K85 PolarHBondContact O-N 3.22Å; A83-K85 VanDerWaalsContact C-N 3.33Å; A83-K85 PolarHBondContact O-N 3.45Å; K85-N89 PolarHBondContact O-N 3.44Å; K85-L92 HydrophobicContact CD-CD1 4.38Å; K85-L92 HydrophobicContact CG-CD1 3.95Å; K85-L92 HydrophobicContact CG-CG 4.18Å
86	K	90.3	Very high	89.4	Confident	168 Å²	168	79.2 Å²	79.2	73%	0.73	40%	0.397	S	S	*	.	H	α-helix	trans	-77	-46.9	-174.7	-70.9	171.2	-174.6	169.8	0	113.4	D82 A83	D82-K86 WeakPolarHBondContact O-CB 3.2Å; D82-K86 VanDerWaalsContact O-CG 3.26Å; D82-K86 WeakPolarHBondContact O-CG 3.34Å; D82-K86 PolarHBondContact O-N 3.4Å; A83-K86 PolarHBondContact O-N 3.22Å
87	S	87.8	Confident	88.6	Confident	81 Å²	81	82.1 Å²	82.1	57%	0.566	42%	0.422	S	S	*	.	H	α-helix	trans	-92.1	-27.3	-168.5	-56.8	0	0	0	0	113.3	A83	A83-S87 VanDerWaalsContact O-CB 3.28Å; A83-S87 WeakPolarHBondContact O-CB 3.03Å; A83-S87 PolarHBondContact O-N 3.35Å; A83-S87 PolarHBondContact O-OG 2.81Å
88	F	85.3	Confident	87.8	Confident	108 Å²	108	83.2 Å²	83.2	47%	0.474	43%	0.43	S	S	.	.	H	α-helix	trans	-119	-2.7	-174.6	-60.7	-89.9	0	0	0	113.8	V37 L84 M90	V37-F88 HydrophobicContact CG2-CE2 4.22Å; L84-F88 HydrophobicContact CD2-CD2 3.89Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 WeakPolarHBondContact O-CB 3.31Å; L84-F88 PolarHBondContact O-N 2.91Å; F88-M90 HydrophobicContact CB-CE 3.36Å; F88-M90 HydrophobicContact CB-CG 4.07Å; F88-M90 HydrophobicContact CD1-CE 4.19Å; F88-M90 HydrophobicContact CD2-CE 4.09Å; F88-M90 HydrophobicContact CG-CE 3.63Å; F88-M90 PolarHBondContact O-N 3.41Å; F88-M90 VanDerWaalsContact O-N 3.13Å
89	N	85	Confident	87	Confident	148 Å²	148	87.6 Å²	87.6	79%	0.791	44%	0.44	S	S	*	.			trans	50.6	35.7	-177.6	-161.4	44.8	0	0	0	113	L84 K85	L84-N89 PolarHBondContact O-N 2.96Å; K85-N89 PolarHBondContact O-N 3.44Å
90	M	83.4	Confident	86.1	Confident	83 Å²	83	90 Å²	90	41%	0.409	46%	0.455	S	S	.	.			trans	-79.9	131.1	178.6	-79.1	-171.8	-106.8	0	0	110.9	L84 F88 L92	L84-M90 HydrophobicContact CB-CE 4.15Å; L84-M90 HydrophobicContact CD2-CE 3.32Å; L84-M90 HydrophobicContact CG-CE 4.2Å; L84-M90 PolarHBondContact O-N 2.89Å; F88-M90 HydrophobicContact CB-CE 3.36Å; F88-M90 HydrophobicContact CB-CG 4.07Å; F88-M90 HydrophobicContact CD1-CE 4.19Å; F88-M90 HydrophobicContact CD2-CE 4.09Å; F88-M90 HydrophobicContact CG-CE 3.63Å; F88-M90 PolarHBondContact O-N 3.41Å; F88-M90 VanDerWaalsContact O-N 3.13Å; M90-L92 HydrophobicContact CB-CD2 4.03Å; M90-L92 PolarHBondContact O-N 3.18Å
91	D	83.2	Confident	85.4	Confident	109 Å²	109	91.1 Å²	91.1	58%	0.583	46%	0.46	S	S	*	.			trans	-79.5	109.3	167	-173.2	1.7	0	0	0	109.9	N93	D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.44Å; D91-N93 VanDerWaalsContact OD1-CB 3.29Å; D91-N93 WeakPolarHBondContact OD1-CB 3.35Å; D91-N93 PolarHBondContact OD1-N 3.42Å; D91-N93 PolarHBondContact OD1-ND2 2.92Å
92	L	86.2	Confident	84.8	Confident	6 Å²	6	91 Å²	91	3%	0.031	47%	0.473	C	S	.	.	H	α-helix	trans	-84.3	-2.4	-177.8	-53.7	-175.9	0	0	0	113.3	R81 L84 K85 M90 L95 D96	R81-L92 HydrophobicContact CB-CD1 3.68Å; R81-L92 HydrophobicContact CG-CD1 3.78Å; R81-L92 VanDerWaalsContact NH2-CB 3.34Å; L84-L92 HydrophobicContact CB-CD2 4.27Å; L84-L92 HydrophobicContact CD1-CD2 4.48Å; K85-L92 HydrophobicContact CD-CD1 4.38Å; K85-L92 HydrophobicContact CG-CD1 3.95Å; K85-L92 HydrophobicContact CG-CG 4.18Å; M90-L92 HydrophobicContact CB-CD2 4.03Å; M90-L92 PolarHBondContact O-N 3.18Å; L92-L95 HydrophobicContact CD2-CD2 4.42Å; L92-L95 PolarHBondContact O-N 3.06Å; L92-D96 PolarHBondContact O-N 3.44Å; L92-D96 VanDerWaalsContact O-N 3.08Å
93	N	84.9	Confident	84.2	Confident	110 Å²	110	93.9 Å²	93.9	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-67.3	-38.2	177.8	-63.5	-42.1	0	0	0	111.5	D91 D96 S97	D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.44Å; D91-N93 VanDerWaalsContact OD1-CB 3.29Å; D91-N93 WeakPolarHBondContact OD1-CB 3.35Å; D91-N93 PolarHBondContact OD1-N 3.42Å; D91-N93 PolarHBondContact OD1-ND2 2.92Å; N93-D96 PolarHBondContact O-N 2.95Å; N93-S97 PolarHBondContact O-N 3.1Å; N93-S97 VanDerWaalsContact O-N 3.08Å
94	E	81.1	Confident	83.8	Confident	138 Å²	138	96.7 Å²	96.7	65%	0.645	50%	0.501	S	S	*	.	H	α-helix	trans	-62	-45.1	174.3	-174.3	179.8	179	0	0	110.7	D96 S97 I98	E94-D96 VanDerWaalsContact C-N 3.28Å; E94-D96 PolarHBondContact O-N 3.4Å; E94-S97 WeakPolarHBondContact O-CB 3.44Å; E94-S97 PolarHBondContact O-N 3.42Å; E94-S97 VanDerWaalsContact O-N 3.08Å; E94-S97 PolarHBondContact O-OG 3.04Å; E94-I98 HydrophobicContact CG-CD1 4.42Å; E94-I98 PolarHBondContact O-N 3.31Å
95	L	78.9	Confident	83.4	Confident	103 Å²	103	99.7 Å²	99.7	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-58.3	-41	176.8	-178.8	64.3	0	0	0	112	L92 S97 I98 R99	L92-L95 HydrophobicContact CD2-CD2 4.42Å; L92-L95 PolarHBondContact O-N 3.06Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.37Å; L95-I98 PolarHBondContact O-N 3.32Å; L95-R99 PolarHBondContact O-N 3.37Å
96	D	83.9	Confident	83	Confident	63 Å²	63	102.4 Å²	102.4	34%	0.337	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-30.9	178.3	-69.2	-17.1	0	0	0	112.7	R81 L92 N93 E94 I98 R99	R81-D96 IonicContact CZ-OD1 2.98Å; R81-D96 VanDerWaalsContact CZ-OD1 3.23Å; R81-D96 IonicContact CZ-OD2 2.64Å; R81-D96 IonicContact NH1-OD1 3.14Å; R81-D96 PolarHBondContact NH1-OD1 2.92Å; R81-D96 IonicContact NH1-OD2 3.23Å; R81-D96 IonicContact NH2-OD1 2.71Å; R81-D96 PolarHBondContact NH2-OD1 3.26Å; R81-D96 IonicContact NH2-OD2 3.82Å; R81-D96 PolarHBondContact NH2-OD2 3.24Å; L92-D96 PolarHBondContact O-N 3.44Å; L92-D96 VanDerWaalsContact O-N 3.08Å; N93-D96 PolarHBondContact O-N 2.95Å; E94-D96 VanDerWaalsContact C-N 3.28Å; E94-D96 PolarHBondContact O-N 3.4Å; D96-I98 VanDerWaalsContact C-N 3.3Å; D96-I98 PolarHBondContact O-N 3.27Å; D96-R99 WeakPolarHBondContact O-CB 3.43Å; D96-R99 PolarHBondContact O-N 3.42Å
97	S	80.6	Confident	82.8	Confident	95 Å²	95	100.8 Å²	100.8	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-68.7	-28.4	179.2	78	0	0	0	0	113.2	N93 E94 L95	N93-S97 PolarHBondContact O-N 3.1Å; N93-S97 VanDerWaalsContact O-N 3.08Å; E94-S97 WeakPolarHBondContact O-CB 3.44Å; E94-S97 PolarHBondContact O-N 3.42Å; E94-S97 VanDerWaalsContact O-N 3.08Å; E94-S97 PolarHBondContact O-OG 3.04Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.37Å
98	I	79.5	Confident	82.7	Confident	119 Å²	119	102.1 Å²	102.1	61%	0.61	52%	0.516	S	S	*	.	H	α-helix	trans	-85.3	-17.2	179.1	-59.3	166.1	0	0	0	111	E94 L95 D96 T100	E94-I98 HydrophobicContact CG-CD1 4.42Å; E94-I98 PolarHBondContact O-N 3.31Å; L95-I98 PolarHBondContact O-N 3.32Å; D96-I98 VanDerWaalsContact C-N 3.3Å; D96-I98 PolarHBondContact O-N 3.27Å; I98-T100 PolarHBondContact O-N 3.27Å
99	R	79	Confident	82.6	Confident	171 Å²	171	100.9 Å²	100.9	65%	0.645	52%	0.518	S	S	*	.			trans	-67.2	107.5	-177.3	-173.7	-177.1	68.7	103.1	2.8	111.1	L95 D96 D101	L95-R99 PolarHBondContact O-N 3.37Å; D96-R99 WeakPolarHBondContact O-CB 3.43Å; D96-R99 PolarHBondContact O-N 3.42Å; R99-D101 PolarHBondContact O-N 2.96Å
100	T	78.4	Confident	82.5	Confident	82 Å²	82	97.5 Å²	97.5	50%	0.503	51%	0.505	S	S	.	.			trans	-68.7	116.8	164.4	-48.5	0	0	0	0	109.2	I98 T104 I105	I98-T100 PolarHBondContact O-N 3.27Å; T100-T104 HydrophobicContact CG2-CG2 3.52Å; T100-I105 HydrophobicContact CG2-CD1 4.48Å; T100-I105 HydrophobicContact CG2-CG1 3.78Å
101	D	81.4	Confident	82.1	Confident	52 Å²	52	101.1 Å²	101.1	28%	0.278	52%	0.519	S	S	.	.			trans	-74.3	161.4	178.3	70.5	84.8	0	0	0	111.9	R99 E103 T104 I105	R99-D101 PolarHBondContact O-N 2.96Å; D101-E103 PolarHBondContact O-N 2.92Å; D101-E103 VanDerWaalsContact OD1-CA 3.26Å; D101-E103 WeakPolarHBondContact OD1-CA 3.47Å; D101-E103 WeakPolarHBondContact OD1-CB 3Å; D101-E103 PolarHBondContact OD1-N 2.99Å; D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact OD1-N 3.24Å; D101-T104 WeakPolarHBondContact OD2-CB 3.38Å; D101-T104 PolarHBondContact OD2-OG1 3.03Å; D101-I105 PolarHBondContact O-N 3.27Å; D101-I105 VanDerWaalsContact O-N 3.1Å
102	A	80.8	Confident	81.3	Confident	60 Å²	60	100.2 Å²	100.2	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-25.3	-177.2	0	0	0	0	0	113.4	R106	A102-R106 WeakPolarHBondContact O-CB 3.32Å; A102-R106 VanDerWaalsContact O-CG 3.25Å; A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.35Å; A102-R106 PolarHBondContact O-NE 3.23Å; A102-R106 VanDerWaalsContact O-NE 3.12Å
103	E	81.1	Confident	79.5	Confident	145 Å²	145	111.9 Å²	111.9	68%	0.678	58%	0.577	S	S	*	*	H	α-helix	trans	-72.3	-43.4	175.2	-163.2	-176.5	163.3	0	0	110.6	D101 I105 R106 K107	D101-E103 PolarHBondContact O-N 2.92Å; D101-E103 VanDerWaalsContact OD1-CA 3.26Å; D101-E103 WeakPolarHBondContact OD1-CA 3.47Å; D101-E103 WeakPolarHBondContact OD1-CB 3Å; D101-E103 PolarHBondContact OD1-N 2.99Å; E103-I105 VanDerWaalsContact C-N 3.34Å; E103-I105 PolarHBondContact O-N 3.04Å; E103-R106 WeakPolarHBondContact O-CB 3.27Å; E103-R106 PolarHBondContact O-N 3.43Å; E103-K107 WeakPolarHBondContact O-CB 3.46Å; E103-K107 PolarHBondContact O-N 3.5Å
104	T	84.8	Confident	79.3	Confident	58 Å²	58	112 Å²	112	36%	0.356	58%	0.576	S	S	.	*	H	α-helix	trans	-58.5	-44.7	173.5	-63.4	0	0	0	0	111.3	T100 D101 K107 I108	T100-T104 HydrophobicContact CG2-CG2 3.52Å; D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact OD1-N 3.24Å; D101-T104 WeakPolarHBondContact OD2-CB 3.38Å; D101-T104 PolarHBondContact OD2-OG1 3.03Å; T104-K107 PolarHBondContact O-N 3.27Å; T104-I108 HydrophobicContact CG2-CD1 4.01Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.45Å; T104-I108 PolarHBondContact O-N 3.39Å
105	I	83.8	Confident	79.2	Confident	88 Å²	88	110.6 Å²	110.6	45%	0.451	57%	0.573	S	S	.	*	H	α-helix	trans	-62.9	-44	175	-62.3	172.7	0	0	0	111.3	T100 D101 E103 K107 I108 T109	T100-I105 HydrophobicContact CG2-CD1 4.48Å; T100-I105 HydrophobicContact CG2-CG1 3.78Å; D101-I105 PolarHBondContact O-N 3.27Å; D101-I105 VanDerWaalsContact O-N 3.1Å; E103-I105 VanDerWaalsContact C-N 3.34Å; E103-I105 PolarHBondContact O-N 3.04Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.83Å; I105-I108 PolarHBondContact O-N 3.47Å; I105-T109 HydrophobicContact CG2-CG2 4.24Å; I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 WeakPolarHBondContact O-CG2 3.23Å; I105-T109 PolarHBondContact O-N 3.42Å; I105-T109 PolarHBondContact O-OG1 2.98Å
106	R	83.5	Confident	79.2	Confident	164 Å²	164	111.1 Å²	111.1	62%	0.619	58%	0.575	S	S	*	*	H	α-helix	trans	-60.2	-39.4	175.8	-81.6	-179.4	-79.1	-160.2	1.8	112	A102 E103 T109 S110	A102-R106 WeakPolarHBondContact O-CB 3.32Å; A102-R106 VanDerWaalsContact O-CG 3.25Å; A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.35Å; A102-R106 PolarHBondContact O-NE 3.23Å; A102-R106 VanDerWaalsContact O-NE 3.12Å; E103-R106 WeakPolarHBondContact O-CB 3.27Å; E103-R106 PolarHBondContact O-N 3.43Å; R106-T109 WeakPolarHBondContact CA-OG1 3.36Å; R106-T109 PolarHBondContact O-OG1 3.29Å; R106-S110 VanDerWaalsContact O-CB 3.27Å; R106-S110 WeakPolarHBondContact O-CB 3.34Å; R106-S110 PolarHBondContact O-N 3.3Å; R106-S110 PolarHBondContact O-OG 3.49Å
107	K	85.6	Confident	78.9	Confident	134 Å²	134	113.9 Å²	113.9	58%	0.583	59%	0.589	S	S	*	*	H	α-helix	trans	-68	-36.4	177.3	-170.8	175.8	-177.3	176.3	0	112.5	E103 T104 I105 S110 K111	E103-K107 WeakPolarHBondContact O-CB 3.46Å; E103-K107 PolarHBondContact O-N 3.5Å; T104-K107 PolarHBondContact O-N 3.27Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.83Å; K107-S110 PolarHBondContact O-OG 3.45Å; K107-K111 WeakPolarHBondContact O-CG 3.47Å
108	I	86.8	Confident	78.8	Confident	108 Å²	108	115.1 Å²	115.1	55%	0.554	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-46.7	175.9	-66.8	164.7	0	0	0	110.4	T104 I105 K111	T104-I108 HydrophobicContact CG2-CD1 4.01Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.45Å; T104-I108 PolarHBondContact O-N 3.39Å; I105-I108 PolarHBondContact O-N 3.47Å; I108-K111 PolarHBondContact O-N 3.35Å
109	T	83.4	Confident	78.8	Confident	83 Å²	83	114.8 Å²	114.8	51%	0.509	58%	0.582	S	S	.	*	H	α-helix	trans	-71.9	-32.7	-176.7	51.8	0	0	0	0	113.4	I105 R106 K111 A112	I105-T109 HydrophobicContact CG2-CG2 4.24Å; I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 WeakPolarHBondContact O-CG2 3.23Å; I105-T109 PolarHBondContact O-N 3.42Å; I105-T109 PolarHBondContact O-OG1 2.98Å; R106-T109 WeakPolarHBondContact CA-OG1 3.36Å; R106-T109 PolarHBondContact O-OG1 3.29Å; T109-K111 VanDerWaalsContact C-N 3.35Å; T109-A112 PolarHBondContact O-N 3.22Å
110	S	83.1	Confident	78.8	Confident	76 Å²	76	110.8 Å²	110.8	53%	0.531	58%	0.578	S	S	.	*	H	α-helix	trans	-71.3	-25.4	174.6	53.8	0	0	0	0	114	R106 K107 A112	R106-S110 VanDerWaalsContact O-CB 3.27Å; R106-S110 WeakPolarHBondContact O-CB 3.34Å; R106-S110 PolarHBondContact O-N 3.3Å; R106-S110 PolarHBondContact O-OG 3.49Å; K107-S110 PolarHBondContact O-OG 3.45Å; S110-A112 VanDerWaalsContact C-N 3.3Å
111	K	73.1	Confident	78.8	Confident	160 Å²	160	113 Å²	113	70%	0.696	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-13	175	-77.7	-177.8	175.6	-168.7	0	114.1	K107 I108 T109	K107-K111 WeakPolarHBondContact O-CG 3.47Å; I108-K111 PolarHBondContact O-N 3.35Å; T109-K111 VanDerWaalsContact C-N 3.35Å
112	A	67.4	Low	78.6	Confident	90 Å²	90	118.1 Å²	118.1	74%	0.744	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	7.3	-178.5	0	0	0	0	0	113.5	T109 S110	T109-A112 PolarHBondContact O-N 3.22Å; S110-A112 VanDerWaalsContact C-N 3.3Å
113	K	49.2	Very low	78.4	Confident	251 Å²	251	123.4 Å²	123.4	100%	1.091	62%	0.619	S	S	*	*			trans	-109.8	0	169.2	-76.1	-174	176.8	-175.4	0	109.7

Retrieved 113 of 113 residues in 51.2 ms (Link to these results)

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