A0A3Q0KJW1_SCHMA Loading...

MEG 1

AlphaFold DB , UniProt , Accession A0A3Q0KJW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>A0A3Q0KJW1_SCHMA|A0A3Q0KJW1
MPRICTLNYFILCSGVVITSNQLDEKLFPYSKRFNGSACVTKDGKVTCTESTHQSLSDSFRRFMIFKCSLILLALCSLAIIRHRHKRLDKKLMQKVNFQIAAGV
					

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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	30.3	Very low	35.5	Very low	237 Å²	237	131.5 Å²	131.5	100%	1.167	66%	0.659	S	S	*	*				0	100.6	0	-73	-177.5	167.2	0	0	109.2	R3	M1-R3 PolarHBondContact O-N 3.26Å
2	P	35.9	Very low	35.8	Very low	125 Å²	125	133 Å²	133	81%	0.812	67%	0.669	S	S	*	*			trans	-79.7	118.5	172.9	29.6	-27.8	0	0	0	109.7	I4	P2-I4 PolarHBondContact O-N 3.39Å
3	R	30.6	Very low	36.1	Very low	237 Å²	237	131.9 Å²	131.9	89%	0.894	68%	0.679	S	S	*	*			trans	-64.8	112.1	170.5	-80.8	-173	171.9	172.9	-1.7	108.5	M1 C5	M1-R3 PolarHBondContact O-N 3.26Å; R3-C5 PolarHBondContact O-N 2.87Å
4	I	35.9	Very low	36.4	Very low	138 Å²	138	128.9 Å²	128.9	71%	0.708	68%	0.675	S	S	*	*			trans	-74.3	93.8	170.4	-57.9	165.7	0	0	0	106.4	P2 T6	P2-I4 PolarHBondContact O-N 3.39Å; I4-T6 HydrophobicContact CG2-CG2 4.26Å; I4-T6 PolarHBondContact O-N 3.46Å
5	C	32.7	Very low	36.5	Very low	105 Å²	105	124.1 Å²	124.1	71%	0.709	67%	0.67	S	S	*	*			trans	-71.8	95.2	168.4	-72.8	0	0	0	0	108.1	R3 L7	R3-C5 PolarHBondContact O-N 2.87Å; C5-L7 PolarHBondContact O-N 3.13Å
6	T	34.4	Very low	36.9	Very low	74 Å²	74	121.1 Å²	121.1	45%	0.454	66%	0.656	S	S	.	*			trans	-66.8	99.9	169.9	35.6	0	0	0	0	109	I4 N8	I4-T6 HydrophobicContact CG2-CG2 4.26Å; I4-T6 PolarHBondContact O-N 3.46Å; T6-N8 PolarHBondContact O-N 3.14Å
7	L	36.4	Very low	37.3	Very low	99 Å²	99	118.8 Å²	118.8	52%	0.518	65%	0.647	S	S	.	*			trans	-77	104.4	172.9	-130.7	118.9	0	0	0	108.1	C5 Y9	C5-L7 PolarHBondContact O-N 3.13Å; L7-Y9 HydrophobicContact CB-CE2 4.07Å; L7-Y9 HydrophobicContact CD2-CD2 4.41Å; L7-Y9 HydrophobicContact CD2-CE1 3.92Å; L7-Y9 HydrophobicContact CD2-CE2 3.67Å; L7-Y9 WeakPolarHBondContact CD2-OH 3.28Å; L7-Y9 PolarHBondContact O-N 3.46Å
8	N	36.5	Very low	37.8	Very low	95 Å²	95	113.7 Å²	113.7	51%	0.508	62%	0.619	S	S	.	*			trans	-78.9	112.8	177	-69.8	-30.8	0	0	0	109.1	T6	T6-N8 PolarHBondContact O-N 3.14Å
9	Y	39.9	Very low	38.4	Very low	134 Å²	134	110.4 Å²	110.4	53%	0.525	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	114.1	173	-70.8	-86.4	0	0	0	109.5	L7 I11 L23	L7-Y9 HydrophobicContact CB-CE2 4.07Å; L7-Y9 HydrophobicContact CD2-CD2 4.41Å; L7-Y9 HydrophobicContact CD2-CE1 3.92Å; L7-Y9 HydrophobicContact CD2-CE2 3.67Å; L7-Y9 WeakPolarHBondContact CD2-OH 3.28Å; L7-Y9 PolarHBondContact O-N 3.46Å; Y9-I11 PolarHBondContact O-N 3.16Å; Y9-L23 HydrophobicContact CD2-CD1 4.16Å
10	F	35.9	Very low	39	Very low	126 Å²	126	106.6 Å²	106.6	55%	0.553	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	99.6	174.3	-144.7	-87.9	0	0	0	108.8	L12 V17	F10-L12 HydrophobicContact CD1-CD2 4.29Å; F10-L12 HydrophobicContact CD1-CG 4.36Å; F10-L12 PolarHBondContact O-N 2.87Å; F10-L12 VanDerWaalsContact O-N 3.07Å; F10-V17 HydrophobicContact CD2-CG2 3.91Å; F10-V17 HydrophobicContact CE2-CG2 3.45Å; F10-V17 VanDerWaalsContact CE2-CG2 3.45Å; F10-V17 HydrophobicContact CZ-CG2 4.35Å
11	I	42.3	Very low	39.3	Very low	77 Å²	77	106.5 Å²	106.5	40%	0.395	58%	0.584	S	S	.	*			trans	-76.8	97.7	171.7	-61.3	174.5	0	0	0	107.3	Y9 C13 S14 I18	Y9-I11 PolarHBondContact O-N 3.16Å; I11-C13 HydrophobicContact CG2-CB 4.47Å; I11-C13 PolarHBondContact O-N 3.42Å; I11-S14 PolarHBondContact O-N 2.95Å; I11-I18 HydrophobicContact CD1-CD1 4.31Å
12	L	38.9	Very low	40.3	Very low	149 Å²	149	100.1 Å²	100.1	78%	0.78	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-4.8	-176.2	-82.5	156.5	0	0	0	115.4	F10	F10-L12 HydrophobicContact CD1-CD2 4.29Å; F10-L12 HydrophobicContact CD1-CG 4.36Å; F10-L12 PolarHBondContact O-N 2.87Å; F10-L12 VanDerWaalsContact O-N 3.07Å
13	C	40	Very low	41	Very low	119 Å²	119	95.7 Å²	95.7	80%	0.804	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.1	176.4	-82.6	0	0	0	0	115.1	I11	I11-C13 HydrophobicContact CG2-CB 4.47Å; I11-C13 PolarHBondContact O-N 3.42Å
14	S	39.6	Very low	42	Very low	89 Å²	89	89 Å²	89	62%	0.622	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	0.9	-178	-43.9	0	0	0	0	115.5	I11 V16	I11-S14 PolarHBondContact O-N 2.95Å; S14-V16 WeakPolarHBondContact O-CG2 3.34Å; S14-V16 PolarHBondContact O-N 3.29Å
15	G	37.9	Very low	42.8	Very low	58 Å²	58	89.6 Å²	89.6	60%	0.598	50%	0.502	S	S	*	.			trans	61.4	12.4	-179.2	0	0	0	0	0	114.4
16	V	42.6	Very low	43.7	Very low	75 Å²	75	92 Å²	92	46%	0.455	50%	0.5	S	S	.	.			trans	-92	117.3	177.9	-172.9	0	0	0	0	108.4	S14 I18	S14-V16 WeakPolarHBondContact O-CG2 3.34Å; S14-V16 PolarHBondContact O-N 3.29Å; V16-I18 HydrophobicContact CB-CG1 4.18Å; V16-I18 HydrophobicContact CG1-CD1 4.32Å; V16-I18 HydrophobicContact CG1-CG1 3.65Å; V16-I18 PolarHBondContact O-N 3.07Å
17	V	44.3	Very low	44.5	Very low	83 Å²	83	92.4 Å²	92.4	50%	0.503	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	103.3	166.4	-180	0	0	0	0	107.1	F10	F10-V17 HydrophobicContact CD2-CG2 3.91Å; F10-V17 HydrophobicContact CE2-CG2 3.45Å; F10-V17 VanDerWaalsContact CE2-CG2 3.45Å; F10-V17 HydrophobicContact CZ-CG2 4.35Å
18	I	46.2	Very low	45.2	Very low	26 Å²	26	90.9 Å²	90.9	13%	0.133	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.5	174.9	-52.3	-178.6	0	0	0	107.5	I11 V16 Q22 L23	I11-I18 HydrophobicContact CD1-CD1 4.31Å; V16-I18 HydrophobicContact CB-CG1 4.18Å; V16-I18 HydrophobicContact CG1-CD1 4.32Å; V16-I18 HydrophobicContact CG1-CG1 3.65Å; V16-I18 PolarHBondContact O-N 3.07Å; I18-Q22 HydrophobicContact CG2-CB 3.61Å; I18-L23 HydrophobicContact CB-CD1 3.89Å; I18-L23 HydrophobicContact CB-CG 4.28Å; I18-L23 HydrophobicContact CG2-CB 4.33Å; I18-L23 HydrophobicContact CG2-CD1 3.7Å; I18-L23 HydrophobicContact CG2-CG 3.72Å
19	T	48.4	Very low	45.7	Very low	52 Å²	52	90.4 Å²	90.4	32%	0.319	49%	0.491	S	S	.	.			trans	-70.6	149.8	172.1	55	0	0	0	0	109.3	N21 Q22 L23	T19-N21 PolarHBondContact O-N 3.48Å; T19-Q22 PolarHBondContact O-N 3.1Å; T19-L23 PolarHBondContact O-N 3.14Å
20	S	50.7	Low	45.8	Very low	34 Å²	34	91.9 Å²	91.9	24%	0.238	50%	0.497	C	S	.	.	H	α-helix	trans	-47	-38.1	179.6	55.3	0	0	0	0	113.3	Q22 L23 D24	S20-Q22 VanDerWaalsContact C-N 3.35Å; S20-Q22 PolarHBondContact O-N 2.92Å; S20-L23 PolarHBondContact O-N 3.32Å; S20-D24 PolarHBondContact O-N 2.84Å; S20-D24 VanDerWaalsContact O-N 3.11Å
21	N	46.2	Very low	46.4	Very low	105 Å²	105	88.1 Å²	88.1	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-67.4	-34.3	-179.2	-60.7	-0.5	0	0	0	112.4	T19 E25	T19-N21 PolarHBondContact O-N 3.48Å; N21-E25 PolarHBondContact O-N 3.44Å
22	Q	50.8	Low	46.4	Very low	102 Å²	102	93.4 Å²	93.4	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-81.4	-27.7	176.2	-75.6	-156	16.4	0	0	113.1	I18 T19 S20 D24 K26	I18-Q22 HydrophobicContact CG2-CB 3.61Å; T19-Q22 PolarHBondContact O-N 3.1Å; S20-Q22 VanDerWaalsContact C-N 3.35Å; S20-Q22 PolarHBondContact O-N 2.92Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-K26 PolarHBondContact O-N 2.91Å; Q22-K26 VanDerWaalsContact O-N 3.1Å
23	L	51.2	Low	46.5	Very low	33 Å²	33	96.1 Å²	96.1	17%	0.173	51%	0.506	C	S	.	.	H	α-helix	trans	-60.9	-43.6	168.9	-92.4	124	0	0	0	109.7	Y9 I18 T19 S20 E25 K26 L27	Y9-L23 HydrophobicContact CD2-CD1 4.16Å; I18-L23 HydrophobicContact CB-CD1 3.89Å; I18-L23 HydrophobicContact CB-CG 4.28Å; I18-L23 HydrophobicContact CG2-CB 4.33Å; I18-L23 HydrophobicContact CG2-CD1 3.7Å; I18-L23 HydrophobicContact CG2-CG 3.72Å; T19-L23 PolarHBondContact O-N 3.14Å; S20-L23 PolarHBondContact O-N 3.32Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.01Å; L23-K26 PolarHBondContact O-N 3.01Å; L23-L27 HydrophobicContact CD2-CD1 4.45Å; L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.22Å; L23-L27 PolarHBondContact O-N 3.36Å
24	D	51.8	Low	46.5	Very low	96 Å²	96	96.9 Å²	96.9	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-43	-179.3	-124.5	-9.3	0	0	0	112	S20 Q22 F28	S20-D24 PolarHBondContact O-N 2.84Å; S20-D24 VanDerWaalsContact O-N 3.11Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; D24-F28 CarbonylContact O-C 3.59Å; D24-F28 WeakPolarHBondContact O-CA 3.45Å; D24-F28 VanDerWaalsContact O-CB 3.29Å; D24-F28 WeakPolarHBondContact O-CB 3.41Å; D24-F28 PolarHBondContact O-N 3.02Å; D24-F28 VanDerWaalsContact OD1-CD2 3.26Å; D24-F28 WeakPolarHBondContact OD1-CD2 3.32Å
25	E	52.7	Low	46.5	Very low	151 Å²	151	99.9 Å²	99.9	71%	0.706	51%	0.505	S	S	*	.	H	α-helix	trans	-71.8	-38.2	-178.9	-159.1	178.3	159.7	0	0	113.3	N21 L23	N21-E25 PolarHBondContact O-N 3.44Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.01Å
26	K	51.2	Low	46.7	Very low	154 Å²	154	99.6 Å²	99.6	67%	0.67	50%	0.502	S	S	*	.	H	α-helix	trans	-81.5	-35.1	179.5	-79	-172.9	175.7	178.7	0	113.9	Q22 L23	Q22-K26 PolarHBondContact O-N 2.91Å; Q22-K26 VanDerWaalsContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 3.01Å
27	L	52.1	Low	47	Very low	84 Å²	84	99.8 Å²	99.8	44%	0.44	51%	0.507	S	S	.	.	H	α-helix	trans	-81.5	-31	175.9	-103.3	71.4	0	0	0	112.2	L23 P29	L23-L27 HydrophobicContact CD2-CD1 4.45Å; L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.22Å; L23-L27 PolarHBondContact O-N 3.36Å; L27-P29 VanDerWaalsContact C-CD 3.45Å
28	F	50.8	Low	47.2	Very low	67 Å²	67	99.6 Å²	99.6	29%	0.294	51%	0.514	S	S	.	.			trans	-127.5	59.5	-173.4	-52.4	-81.5	0	0	0	113.9	D24 Y30 S31 L56	D24-F28 CarbonylContact O-C 3.59Å; D24-F28 WeakPolarHBondContact O-CA 3.45Å; D24-F28 VanDerWaalsContact O-CB 3.29Å; D24-F28 WeakPolarHBondContact O-CB 3.41Å; D24-F28 PolarHBondContact O-N 3.02Å; D24-F28 VanDerWaalsContact OD1-CD2 3.26Å; D24-F28 WeakPolarHBondContact OD1-CD2 3.32Å; F28-Y30 PolarHBondContact O-N 3.15Å; F28-Y30 VanDerWaalsContact O-N 3.07Å; F28-S31 WeakPolarHBondContact CB-OG 3.46Å; F28-S31 PolarHBondContact O-N 3.1Å; F28-S31 PolarHBondContact O-OG 2.96Å; F28-L56 HydrophobicContact CD1-CD2 4.4Å; F28-L56 HydrophobicContact CE1-CD2 4.07Å
29	P	45.8	Very low	47.3	Very low	85 Å²	85	100.6 Å²	100.6	55%	0.552	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	167.1	25	-32.2	0	0	0	112	L27	L27-P29 VanDerWaalsContact C-CD 3.45Å
30	Y	42.3	Very low	47.6	Very low	165 Å²	165	102 Å²	102	65%	0.647	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.3	-178.7	-81.4	-84.2	0	0	0	115.5	F28 K32 R33	F28-Y30 PolarHBondContact O-N 3.15Å; F28-Y30 VanDerWaalsContact O-N 3.07Å; Y30-K32 VanDerWaalsContact C-N 3.31Å; Y30-K32 PolarHBondContact O-N 2.86Å; Y30-R33 PolarHBondContact O-N 3.33Å; Y30-R33 VanDerWaalsContact O-N 3.16Å
31	S	49	Very low	47.6	Very low	47 Å²	47	105.1 Å²	105.1	33%	0.329	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-66.2	-34.1	-178.2	61.9	0	0	0	0	112.1	F28 R33	F28-S31 WeakPolarHBondContact CB-OG 3.46Å; F28-S31 PolarHBondContact O-N 3.1Å; F28-S31 PolarHBondContact O-OG 2.96Å; S31-R33 PolarHBondContact O-N 3.29Å
32	K	41.5	Very low	47.7	Very low	187 Å²	187	107.4 Å²	107.4	81%	0.813	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-70.7	-24.9	174.8	-85.1	-174.3	178	174.7	0	114.3	Y30	Y30-K32 VanDerWaalsContact C-N 3.31Å; Y30-K32 PolarHBondContact O-N 2.86Å
33	R	40.6	Very low	48	Very low	206 Å²	206	110.6 Å²	110.6	78%	0.777	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-81.6	-13.8	-179.7	-80.7	-166.7	-176.8	-172.8	2.5	113.6	Y30 S31	Y30-R33 PolarHBondContact O-N 3.33Å; Y30-R33 VanDerWaalsContact O-N 3.16Å; S31-R33 PolarHBondContact O-N 3.29Å
34	F	40.1	Very low	48.2	Very low	136 Å²	136	112.8 Å²	112.8	60%	0.596	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-112.2	30.3	-172.1	-106	-86	0	0	0	114.4	G36	F34-G36 PolarHBondContact O-N 3.4Å; F34-G36 VanDerWaalsContact O-N 3.14Å
35	N	41.3	Very low	47.6	Very low	151 Å²	151	115.7 Å²	115.7	81%	0.807	61%	0.613	S	S	*	*			trans	-66.9	0.1	160.6	-82.6	-1.4	0	0	0	113.1	S37	N35-S37 PolarHBondContact O-N 3.17Å
36	G	41.6	Very low	47.6	Very low	52 Å²	52	112.8 Å²	112.8	54%	0.536	61%	0.605	S	S	.	*			trans	-85	78.4	164.1	0	0	0	0	0	110.3	F34 A38	F34-G36 PolarHBondContact O-N 3.4Å; F34-G36 VanDerWaalsContact O-N 3.14Å; G36-A38 PolarHBondContact O-N 2.82Å; G36-A38 VanDerWaalsContact O-N 3.13Å
37	S	48.3	Very low	47.3	Very low	79 Å²	79	109 Å²	109	55%	0.552	60%	0.595	S	S	*	*			trans	-59.1	115.9	159.5	43.1	0	0	0	0	107.2	N35 C39	N35-S37 PolarHBondContact O-N 3.17Å; S37-C39 PolarHBondContact O-N 2.86Å; S37-C39 PolarHBondContact OG-SG 3.44Å; S37-C39 VanDerWaalsContact OG-SG 3.37Å
38	A	48.8	Very low	47.5	Very low	79 Å²	79	108 Å²	108	65%	0.653	59%	0.594	S	S	*	*			trans	-69.4	79.9	172.3	0	0	0	0	0	108	G36 V40	G36-A38 PolarHBondContact O-N 2.82Å; G36-A38 VanDerWaalsContact O-N 3.13Å; A38-V40 PolarHBondContact O-N 3.37Å
39	C	48.4	Very low	47.5	Very low	47 Å²	47	109.4 Å²	109.4	32%	0.318	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	115	177.1	-59.6	0	0	0	0	107.7	S37 V46 C48	S37-C39 PolarHBondContact O-N 2.86Å; S37-C39 PolarHBondContact OG-SG 3.44Å; S37-C39 VanDerWaalsContact OG-SG 3.37Å; C39-V46 HydrophobicContact CB-CG1 3.58Å; C39-C48 HydrophobicContact CB-CB 4.18Å; C39-C48 WeakPolarHBondContact CB-SG 3.48Å; C39-C48 WeakPolarHBondContact SG-CB 3.37Å; C39-C48 CovalentContact SG-SG 2.06Å; C39-C48 PolarHBondContact SG-SG 3.16Å
40	V	54.5	Low	47.8	Very low	82 Å²	82	112.3 Å²	112.3	50%	0.497	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	118.8	173.5	-177.3	0	0	0	0	107.3	A38 K42 T47	A38-V40 PolarHBondContact O-N 3.37Å; V40-K42 HydrophobicContact CG1-CG 4.29Å; V40-K42 PolarHBondContact O-N 2.83Å; V40-T47 PolarHBondContact N-O 3.32Å; V40-T47 PolarHBondContact O-N 2.93Å; V40-T47 PolarHBondContact O-OG1 3.31Å
41	T	50.1	Low	48.3	Very low	100 Å²	100	107.9 Å²	107.9	61%	0.613	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.2	107.4	167.7	14	0	0	0	0	108.5	V46	T41-V46 HydrophobicContact CG2-CG2 3.85Å
42	K	49.4	Very low	48.4	Very low	152 Å²	152	110 Å²	110	66%	0.661	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.5	130.2	161.6	-84.4	-171.2	173.4	-176.7	0	108.3	V40 G44 K45	V40-K42 HydrophobicContact CG1-CG 4.29Å; V40-K42 PolarHBondContact O-N 2.83Å; K42-G44 VanDerWaalsContact C-N 3.34Å; K42-G44 PolarHBondContact O-N 3.18Å; K42-K45 PolarHBondContact O-N 3.44Å; K42-K45 VanDerWaalsContact O-N 3.14Å
43	D	57.6	Low	48.7	Very low	169 Å²	169	106.9 Å²	106.9	90%	0.904	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	52	45.7	175.5	-52.6	-36.2	0	0	0	114.5	K45	D43-K45 PolarHBondContact O-N 3.17Å
44	G	54.2	Low	49.5	Very low	80 Å²	80	102.8 Å²	102.8	83%	0.825	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.6	-1.9	176.5	0	0	0	0	0	115.2	K42	K42-G44 VanDerWaalsContact C-N 3.34Å; K42-G44 PolarHBondContact O-N 3.18Å
45	K	40.1	Very low	50.3	Low	156 Å²	156	99.5 Å²	99.5	68%	0.678	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.4	116.6	175	-162.2	171.6	-177.6	178.2	0	109.6	K42 D43 T47	K42-K45 PolarHBondContact O-N 3.44Å; K42-K45 VanDerWaalsContact O-N 3.14Å; D43-K45 PolarHBondContact O-N 3.17Å; K45-T47 PolarHBondContact O-N 2.89Å
46	V	51.9	Low	51.2	Low	90 Å²	90	96.2 Å²	96.2	55%	0.545	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.4	107.7	173.8	-172.6	0	0	0	0	107.9	C39 T41	C39-V46 HydrophobicContact CB-CG1 3.58Å; T41-V46 HydrophobicContact CG2-CG2 3.85Å
47	T	45.5	Very low	52.6	Low	75 Å²	75	96.8 Å²	96.8	46%	0.46	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	103.3	170.9	44.1	0	0	0	0	108.4	V40 K45	V40-T47 PolarHBondContact N-O 3.32Å; V40-T47 PolarHBondContact O-N 2.93Å; V40-T47 PolarHBondContact O-OG1 3.31Å; K45-T47 PolarHBondContact O-N 2.89Å
48	C	55.2	Low	54	Low	63 Å²	63	96.1 Å²	96.1	43%	0.426	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.8	112.4	172.8	-54.3	0	0	0	0	107.5	C39 E50	C39-C48 HydrophobicContact CB-CB 4.18Å; C39-C48 WeakPolarHBondContact CB-SG 3.48Å; C39-C48 WeakPolarHBondContact SG-CB 3.37Å; C39-C48 CovalentContact SG-SG 2.06Å; C39-C48 PolarHBondContact SG-SG 3.16Å; C48-E50 PolarHBondContact O-N 3.07Å
49	T	50.4	Low	55.3	Low	97 Å²	97	96 Å²	96	60%	0.595	55%	0.554	S	S	*	*			trans	-73.3	99.2	175.2	48.8	0	0	0	0	108.7	S51	T49-S51 PolarHBondContact O-N 2.88Å
50	E	53.6	Low	56.8	Low	146 Å²	146	97.5 Å²	97.5	68%	0.682	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	22.7	174.8	-144.4	179.8	178.1	0	0	112.6	C48	C48-E50 PolarHBondContact O-N 3.07Å
51	S	52.3	Low	58.1	Low	71 Å²	71	100.8 Å²	100.8	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-32	-170.9	50.8	0	0	0	0	113.1	T49 S55	T49-S51 PolarHBondContact O-N 2.88Å; S51-S55 PolarHBondContact O-N 3.26Å
52	T	50.6	Low	59.7	Low	93 Å²	93	104.7 Å²	104.7	57%	0.571	56%	0.562	S	S	*	*	H	α-helix	trans	-71.7	-37.9	-175.3	-42.8	0	0	0	0	111.8	S55	T52-S55 PolarHBondContact O-OG 3.47Å
53	H	49.3	Very low	61.4	Low	121 Å²	121	102.9 Å²	102.9	56%	0.56	55%	0.554	S	S	*	*	H	α-helix	trans	-71.4	-34.2	-179.6	-119.6	-82.3	0	0	0	112.8	S57	H53-S57 PolarHBondContact O-N 2.9Å; H53-S57 PolarHBondContact O-OG 3.47Å
54	Q	56.4	Low	62.7	Low	120 Å²	120	100.8 Å²	100.8	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-70	-39.5	177.8	-72.4	179.6	-3.6	0	0	112.6	L56 S57 D58	Q54-L56 PolarHBondContact O-N 2.89Å; Q54-S57 PolarHBondContact O-N 3.45Å; Q54-S57 PolarHBondContact O-OG 3.38Å; Q54-D58 PolarHBondContact O-N 2.98Å
55	S	57.9	Low	64.3	Low	67 Å²	67	101.4 Å²	101.4	47%	0.469	52%	0.524	S	S	.	.	H	α-helix	trans	-65.3	-38.3	-179.4	70.3	0	0	0	0	113.3	S51 T52 S59	S51-S55 PolarHBondContact O-N 3.26Å; T52-S55 PolarHBondContact O-OG 3.47Å; S55-S59 PolarHBondContact O-N 2.9Å; S55-S59 PolarHBondContact O-OG 3.3Å
56	L	58.8	Low	66.7	Low	81 Å²	81	99.8 Å²	99.8	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-46.5	179.3	-158.7	109.2	0	0	0	109.9	F28 Q54 D58 S59 F60	F28-L56 HydrophobicContact CD1-CD2 4.4Å; F28-L56 HydrophobicContact CE1-CD2 4.07Å; Q54-L56 PolarHBondContact O-N 2.89Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.44Å; L56-S59 PolarHBondContact O-N 2.94Å; L56-F60 HydrophobicContact CD1-CE2 4.32Å; L56-F60 HydrophobicContact CD2-CD2 3.77Å; L56-F60 HydrophobicContact CD2-CE2 3.5Å; L56-F60 VanDerWaalsContact CD2-CE2 3.5Å; L56-F60 HydrophobicContact CG-CD2 3.81Å; L56-F60 HydrophobicContact CG-CE2 3.62Å; L56-F60 WeakPolarHBondContact O-CD2 3.38Å; L56-F60 PolarHBondContact O-N 2.84Å
57	S	71.3	Confident	68.3	Low	64 Å²	64	100 Å²	100	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-38.4	179.7	70.4	0	0	0	0	112.2	H53 Q54 F60 R61	H53-S57 PolarHBondContact O-N 2.9Å; H53-S57 PolarHBondContact O-OG 3.47Å; Q54-S57 PolarHBondContact O-N 3.45Å; Q54-S57 PolarHBondContact O-OG 3.38Å; S57-F60 PolarHBondContact O-N 3.25Å; S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 2.83Å
58	D	77	Confident	70.4	Confident	65 Å²	65	99.8 Å²	99.8	35%	0.348	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-41.1	176.4	-89.3	-21.4	0	0	0	112.9	Q54 L56 R61 R62	Q54-D58 PolarHBondContact O-N 2.98Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.44Å; D58-R61 PolarHBondContact O-N 3.48Å; D58-R61 IonicContact OD1-NH1 2.83Å; D58-R61 PolarHBondContact OD1-NH1 3.22Å; D58-R62 WeakPolarHBondContact O-CB 3.32Å; D58-R62 VanDerWaalsContact O-CG 3.29Å; D58-R62 WeakPolarHBondContact O-CG 3.39Å; D58-R62 PolarHBondContact O-N 3.49Å
59	S	77.8	Confident	72.2	Confident	78 Å²	78	99.4 Å²	99.4	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-44.9	177.4	-60	0	0	0	0	111.3	S55 L56 R62 F63	S55-S59 PolarHBondContact O-N 2.9Å; S55-S59 PolarHBondContact O-OG 3.3Å; L56-S59 PolarHBondContact O-N 2.94Å; S59-R62 PolarHBondContact O-N 2.92Å; S59-F63 WeakPolarHBondContact O-CB 3.39Å; S59-F63 PolarHBondContact O-N 3.38Å
60	F	79	Confident	74.2	Confident	77 Å²	77	98.6 Å²	98.6	34%	0.338	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-42.6	175.4	-84.6	-70.3	0	0	0	112.2	L56 S57 R62 F63 M64	L56-F60 HydrophobicContact CD1-CE2 4.32Å; L56-F60 HydrophobicContact CD2-CD2 3.77Å; L56-F60 HydrophobicContact CD2-CE2 3.5Å; L56-F60 VanDerWaalsContact CD2-CE2 3.5Å; L56-F60 HydrophobicContact CG-CD2 3.81Å; L56-F60 HydrophobicContact CG-CE2 3.62Å; L56-F60 WeakPolarHBondContact O-CD2 3.38Å; L56-F60 PolarHBondContact O-N 2.84Å; S57-F60 PolarHBondContact O-N 3.25Å; F60-R62 PolarHBondContact O-N 3.4Å; F60-F63 PolarHBondContact O-N 3.42Å; F60-M64 WeakPolarHBondContact O-CB 3.26Å; F60-M64 VanDerWaalsContact O-CG 3.28Å; F60-M64 WeakPolarHBondContact O-CG 3.27Å; F60-M64 PolarHBondContact O-N 2.85Å
61	R	81	Confident	76.1	Confident	152 Å²	152	96 Å²	96	57%	0.574	49%	0.49	S	S	*	.	H	α-helix	trans	-59.7	-45.7	175.9	179	174.8	137.5	-124.9	1.9	111.1	S57 D58 F63 M64 I65	S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 2.83Å; D58-R61 PolarHBondContact O-N 3.48Å; D58-R61 IonicContact OD1-NH1 2.83Å; D58-R61 PolarHBondContact OD1-NH1 3.22Å; R61-F63 PolarHBondContact O-N 2.86Å; R61-M64 PolarHBondContact O-N 3.13Å; R61-I65 HydrophobicContact CG-CD1 3.94Å; R61-I65 WeakPolarHBondContact O-CB 3.34Å; R61-I65 WeakPolarHBondContact O-CD1 3.46Å; R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 2.89Å
62	R	83.4	Confident	78	Confident	182 Å²	182	97.3 Å²	97.3	69%	0.687	49%	0.492	S	S	*	.	H	α-helix	trans	-61.2	-43.4	174.6	-72.6	175.4	-173.5	-163.5	3.2	111.9	D58 S59 F60 I65 F66	D58-R62 WeakPolarHBondContact O-CB 3.32Å; D58-R62 VanDerWaalsContact O-CG 3.29Å; D58-R62 WeakPolarHBondContact O-CG 3.39Å; D58-R62 PolarHBondContact O-N 3.49Å; S59-R62 PolarHBondContact O-N 2.92Å; F60-R62 PolarHBondContact O-N 3.4Å; R62-I65 PolarHBondContact O-N 3.46Å; R62-F66 WeakPolarHBondContact O-CB 3.24Å; R62-F66 PolarHBondContact O-N 3.47Å
63	F	86.2	Confident	80.1	Confident	113 Å²	113	98.5 Å²	98.5	50%	0.496	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-43	176.7	-177	-98.7	0	0	0	112.3	S59 F60 R61 F66 K67	S59-F63 WeakPolarHBondContact O-CB 3.39Å; S59-F63 PolarHBondContact O-N 3.38Å; F60-F63 PolarHBondContact O-N 3.42Å; R61-F63 PolarHBondContact O-N 2.86Å; F63-F66 PolarHBondContact O-N 2.98Å; F63-K67 HydrophobicContact CD1-CG 4.13Å; F63-K67 HydrophobicContact CE1-CD 4.48Å; F63-K67 HydrophobicContact CE1-CG 3.82Å; F63-K67 HydrophobicContact CE2-CG 4.48Å; F63-K67 HydrophobicContact CZ-CD 4.27Å; F63-K67 HydrophobicContact CZ-CG 4.03Å; F63-K67 WeakPolarHBondContact O-CB 3.44Å; F63-K67 WeakPolarHBondContact O-CG 3.34Å; F63-K67 PolarHBondContact O-N 3.42Å
64	M	84.8	Confident	82.2	Confident	125 Å²	125	95.4 Å²	95.4	62%	0.616	49%	0.489	S	S	*	.	H	α-helix	trans	-65.5	-41.9	177.1	-72	-62.6	-72.6	0	0	112	F60 R61 K67 C68	F60-M64 WeakPolarHBondContact O-CB 3.26Å; F60-M64 VanDerWaalsContact O-CG 3.28Å; F60-M64 WeakPolarHBondContact O-CG 3.27Å; F60-M64 PolarHBondContact O-N 2.85Å; R61-M64 PolarHBondContact O-N 3.13Å; M64-K67 PolarHBondContact O-N 3.1Å; M64-C68 VanDerWaalsContact O-CB 3.26Å; M64-C68 WeakPolarHBondContact O-CB 3.33Å; M64-C68 PolarHBondContact O-N 3.34Å
65	I	88	Confident	84	Confident	93 Å²	93	94.5 Å²	94.5	48%	0.477	49%	0.488	S	S	.	.	H	α-helix	trans	-60.4	-48.1	173.7	-68.5	163.9	0	0	0	109.8	R61 R62 K67 C68 S69	R61-I65 HydrophobicContact CG-CD1 3.94Å; R61-I65 WeakPolarHBondContact O-CB 3.34Å; R61-I65 WeakPolarHBondContact O-CD1 3.46Å; R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 2.89Å; R62-I65 PolarHBondContact O-N 3.46Å; I65-K67 PolarHBondContact O-N 2.88Å; I65-C68 WeakPolarHBondContact O-CB 3.39Å; I65-C68 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-N 3.33Å; I65-S69 PolarHBondContact O-OG 3.19Å; I65-S69 VanDerWaalsContact O-OG 3.1Å
66	F	89.4	Confident	85.8	Confident	122 Å²	122	94.9 Å²	94.9	54%	0.535	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-45.8	178.9	-178.7	-105.3	0	0	0	112.5	R62 F63 C68 S69 L70	R62-F66 WeakPolarHBondContact O-CB 3.24Å; R62-F66 PolarHBondContact O-N 3.47Å; F63-F66 PolarHBondContact O-N 2.98Å; F66-C68 VanDerWaalsContact C-N 3.34Å; F66-C68 PolarHBondContact O-N 2.96Å; F66-S69 PolarHBondContact O-N 3.22Å; F66-L70 HydrophobicContact CD1-CD1 3.95Å; F66-L70 HydrophobicContact CE1-CD1 3.45Å; F66-L70 VanDerWaalsContact CE1-CD1 3.45Å; F66-L70 HydrophobicContact CE1-CG 4.18Å; F66-L70 HydrophobicContact CZ-CD1 3.87Å; F66-L70 HydrophobicContact CZ-CD2 4.43Å; F66-L70 HydrophobicContact CZ-CG 4.23Å; F66-L70 WeakPolarHBondContact O-CG 3.33Å; F66-L70 PolarHBondContact O-N 3.31Å
67	K	85.6	Confident	87.5	Confident	96 Å²	96	93.8 Å²	93.8	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-41.4	174.9	-72.8	-67.7	-173.5	179.9	0	111.9	F63 M64 I65 L70 I71	F63-K67 HydrophobicContact CD1-CG 4.13Å; F63-K67 HydrophobicContact CE1-CD 4.48Å; F63-K67 HydrophobicContact CE1-CG 3.82Å; F63-K67 HydrophobicContact CE2-CG 4.48Å; F63-K67 HydrophobicContact CZ-CD 4.27Å; F63-K67 HydrophobicContact CZ-CG 4.03Å; F63-K67 WeakPolarHBondContact O-CB 3.44Å; F63-K67 WeakPolarHBondContact O-CG 3.34Å; F63-K67 PolarHBondContact O-N 3.42Å; M64-K67 PolarHBondContact O-N 3.1Å; I65-K67 PolarHBondContact O-N 2.88Å; K67-L70 PolarHBondContact O-N 2.9Å; K67-I71 VanDerWaalsContact O-CG1 3.29Å; K67-I71 WeakPolarHBondContact O-CG1 3.5Å; K67-I71 PolarHBondContact O-N 2.88Å
68	C	91.2	Very high	88.6	Confident	69 Å²	69	94.5 Å²	94.5	47%	0.466	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.9	-168.9	0	0	0	0	111.3	M64 I65 F66 L70 I71 L72	M64-C68 VanDerWaalsContact O-CB 3.26Å; M64-C68 WeakPolarHBondContact O-CB 3.33Å; M64-C68 PolarHBondContact O-N 3.34Å; I65-C68 WeakPolarHBondContact O-CB 3.39Å; I65-C68 PolarHBondContact O-N 3.31Å; F66-C68 VanDerWaalsContact C-N 3.34Å; F66-C68 PolarHBondContact O-N 2.96Å; C68-L70 VanDerWaalsContact C-N 3.35Å; C68-L70 PolarHBondContact O-N 3.44Å; C68-I71 PolarHBondContact O-N 3.46Å; C68-L72 WeakPolarHBondContact O-CG 3.3Å; C68-L72 PolarHBondContact O-N 3.5Å
69	S	92.6	Very high	89.4	Confident	56 Å²	56	94.1 Å²	94.1	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-42.8	175	-58.8	0	0	0	0	112.3	I65 F66 L72 L73	I65-S69 PolarHBondContact O-N 3.33Å; I65-S69 PolarHBondContact O-OG 3.19Å; I65-S69 VanDerWaalsContact O-OG 3.1Å; F66-S69 PolarHBondContact O-N 3.22Å; S69-L72 PolarHBondContact O-N 2.91Å; S69-L73 WeakPolarHBondContact O-CB 3.46Å; S69-L73 VanDerWaalsContact O-CG 3.3Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.21Å
70	L	91.4	Very high	90.2	Very high	79 Å²	79	95 Å²	95	41%	0.414	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-41.6	175.6	-73.1	177.7	0	0	0	112.5	F66 K67 C68 L73 A74	F66-L70 HydrophobicContact CD1-CD1 3.95Å; F66-L70 HydrophobicContact CE1-CD1 3.45Å; F66-L70 VanDerWaalsContact CE1-CD1 3.45Å; F66-L70 HydrophobicContact CE1-CG 4.18Å; F66-L70 HydrophobicContact CZ-CD1 3.87Å; F66-L70 HydrophobicContact CZ-CD2 4.43Å; F66-L70 HydrophobicContact CZ-CG 4.23Å; F66-L70 WeakPolarHBondContact O-CG 3.33Å; F66-L70 PolarHBondContact O-N 3.31Å; K67-L70 PolarHBondContact O-N 2.9Å; C68-L70 VanDerWaalsContact C-N 3.35Å; C68-L70 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 3.46Å
71	I	93.7	Very high	90.9	Very high	91 Å²	91	96.5 Å²	96.5	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-44.9	176.9	-68.2	164.4	0	0	0	110.3	K67 C68 L73 A74 L75	K67-I71 VanDerWaalsContact O-CG1 3.29Å; K67-I71 WeakPolarHBondContact O-CG1 3.5Å; K67-I71 PolarHBondContact O-N 2.88Å; C68-I71 PolarHBondContact O-N 3.46Å; I71-L73 VanDerWaalsContact C-N 3.34Å; I71-L73 PolarHBondContact O-N 3.4Å; I71-A74 PolarHBondContact O-N 3.38Å; I71-L75 HydrophobicContact CG2-CD1 3.97Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.38Å; I71-L75 PolarHBondContact O-N 2.92Å
72	L	92.8	Very high	91.5	Very high	100 Å²	100	97.5 Å²	97.5	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-60.8	-43.4	176.5	-71.9	173.1	0	0	0	111.5	C68 S69 A74 L75 C76	C68-L72 WeakPolarHBondContact O-CG 3.3Å; C68-L72 PolarHBondContact O-N 3.5Å; S69-L72 PolarHBondContact O-N 2.91Å; L72-A74 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 3.34Å; L72-C76 WeakPolarHBondContact O-CB 3.37Å; L72-C76 PolarHBondContact O-N 2.87Å; L72-C76 PolarHBondContact O-SG 2.9Å
73	L	94.4	Very high	91.9	Very high	117 Å²	117	95.1 Å²	95.1	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-42.5	174.5	-73.6	169.2	0	0	0	112.1	S69 L70 I71 C76 S77	S69-L73 WeakPolarHBondContact O-CB 3.46Å; S69-L73 VanDerWaalsContact O-CG 3.3Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.21Å; L70-L73 PolarHBondContact O-N 2.94Å; I71-L73 VanDerWaalsContact C-N 3.34Å; I71-L73 PolarHBondContact O-N 3.4Å; L73-C76 PolarHBondContact O-N 2.82Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 3.07Å; L73-S77 PolarHBondContact O-OG 2.83Å; L73-S77 VanDerWaalsContact O-OG 3.13Å
74	A	94.2	Very high	92.2	Very high	57 Å²	57	98.1 Å²	98.1	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-43.9	175.9	0	0	0	0	0	111.8	L70 I71 L72 S77 L78	L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 3.46Å; I71-A74 PolarHBondContact O-N 3.38Å; L72-A74 PolarHBondContact O-N 2.95Å; A74-S77 WeakPolarHBondContact CA-OG 3.32Å; A74-S77 PolarHBondContact O-N 3.02Å; A74-S77 PolarHBondContact O-OG 2.98Å; A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 3.49Å
75	L	94.1	Very high	92.6	Very high	101 Å²	101	97.5 Å²	97.5	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.5	-69.6	174.5	0	0	0	112.1	I71 L72 L78 A79	I71-L75 HydrophobicContact CG2-CD1 3.97Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.38Å; I71-L75 PolarHBondContact O-N 2.92Å; L72-L75 PolarHBondContact O-N 3.34Å; L75-L78 PolarHBondContact O-N 3.3Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3Å
76	C	94	Very high	92.9	Very high	75 Å²	75	99.8 Å²	99.8	51%	0.507	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.8	-75.3	0	0	0	0	111.6	L72 L73 L78 A79 I80	L72-C76 WeakPolarHBondContact O-CB 3.37Å; L72-C76 PolarHBondContact O-N 2.87Å; L72-C76 PolarHBondContact O-SG 2.9Å; L73-C76 PolarHBondContact O-N 2.82Å; C76-L78 PolarHBondContact O-N 3.06Å; C76-A79 PolarHBondContact O-N 2.83Å; C76-I80 VanDerWaalsContact O-CG1 3.26Å; C76-I80 WeakPolarHBondContact O-CG1 3.34Å; C76-I80 PolarHBondContact O-N 3.22Å
77	S	94.8	Very high	93	Very high	57 Å²	57	101.5 Å²	101.5	40%	0.399	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-43.3	177.2	62.5	0	0	0	0	111.8	L73 A74 A79 I80 I81	L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 3.07Å; L73-S77 PolarHBondContact O-OG 2.83Å; L73-S77 VanDerWaalsContact O-OG 3.13Å; A74-S77 WeakPolarHBondContact CA-OG 3.32Å; A74-S77 PolarHBondContact O-N 3.02Å; A74-S77 PolarHBondContact O-OG 2.98Å; S77-A79 PolarHBondContact O-N 3.21Å; S77-I80 PolarHBondContact O-N 3.25Å; S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.29Å; S77-I81 PolarHBondContact O-N 3.45Å
78	L	94.9	Very high	93.3	Very high	80 Å²	80	102.4 Å²	102.4	42%	0.419	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-38.5	176.6	-171.7	134	0	0	0	112.4	A74 L75 C76 I81 R82	A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 3.49Å; L75-L78 PolarHBondContact O-N 3.3Å; C76-L78 PolarHBondContact O-N 3.06Å; L78-I81 PolarHBondContact O-N 3.01Å; L78-R82 HydrophobicContact CD2-CG 4.45Å; L78-R82 VanDerWaalsContact CD2-CZ 3.5Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 WeakPolarHBondContact O-CG 3.5Å; L78-R82 PolarHBondContact O-N 2.92Å
79	A	94.3	Very high	93.4	Very high	56 Å²	56	102.5 Å²	102.5	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173.6	0	0	0	0	0	111.8	L75 C76 S77 R82 H83	L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3Å; C76-A79 PolarHBondContact O-N 2.83Å; S77-A79 PolarHBondContact O-N 3.21Å; A79-R82 PolarHBondContact O-N 3.42Å; A79-H83 WeakPolarHBondContact O-CB 3.49Å; A79-H83 PolarHBondContact O-N 3.43Å
80	I	94.2	Very high	93.4	Very high	97 Å²	97	106.4 Å²	106.4	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-45.5	176.2	-67.5	164	0	0	0	110.7	C76 S77 H83 R84	C76-I80 VanDerWaalsContact O-CG1 3.26Å; C76-I80 WeakPolarHBondContact O-CG1 3.34Å; C76-I80 PolarHBondContact O-N 3.22Å; S77-I80 PolarHBondContact O-N 3.25Å; I80-H83 PolarHBondContact O-N 3.19Å; I80-R84 WeakPolarHBondContact O-CG 3.47Å; I80-R84 PolarHBondContact O-N 3.28Å
81	I	93.9	Very high	93.4	Very high	108 Å²	108	107.9 Å²	107.9	55%	0.554	53%	0.531	S	S	*	.	H	α-helix	trans	-60.3	-50.1	177.5	-68.2	163.3	0	0	0	110	S77 L78 H83 R84 H85	S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.29Å; S77-I81 PolarHBondContact O-N 3.45Å; L78-I81 PolarHBondContact O-N 3.01Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.43Å; I81-R84 PolarHBondContact O-N 3.39Å; I81-R84 VanDerWaalsContact O-N 3.16Å; I81-H85 WeakPolarHBondContact O-CB 3.47Å; I81-H85 PolarHBondContact O-N 3.35Å
82	R	93.4	Very high	93.3	Very high	174 Å²	174	108.4 Å²	108.4	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-58.6	-42	177.1	-77.6	-177.4	175.7	175	0.9	112.3	L78 A79 H85 K86	L78-R82 HydrophobicContact CD2-CG 4.45Å; L78-R82 VanDerWaalsContact CD2-CZ 3.5Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 WeakPolarHBondContact O-CG 3.5Å; L78-R82 PolarHBondContact O-N 2.92Å; A79-R82 PolarHBondContact O-N 3.42Å; R82-H85 PolarHBondContact O-N 3.22Å; R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 PolarHBondContact O-N 2.84Å
83	H	92.6	Very high	93.2	Very high	132 Å²	132	109.2 Å²	109.2	61%	0.611	54%	0.537	S	S	*	.	H	α-helix	trans	-62.8	-45.3	176.3	-175.8	-52.1	0	0	0	111.2	A79 I80 I81 R87	A79-H83 WeakPolarHBondContact O-CB 3.49Å; A79-H83 PolarHBondContact O-N 3.43Å; I80-H83 PolarHBondContact O-N 3.19Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.43Å; H83-R87 PolarHBondContact O-N 3.42Å; H83-R87 VanDerWaalsContact O-N 3.07Å
84	R	92.5	Very high	93.2	Very high	176 Å²	176	110.4 Å²	110.4	66%	0.664	54%	0.54	S	S	*	.	H	α-helix	trans	-63.2	-44.5	177.6	-74.4	-175.5	178.8	-137.5	2	111.2	I80 I81 R87 L88	I80-R84 WeakPolarHBondContact O-CG 3.47Å; I80-R84 PolarHBondContact O-N 3.28Å; I81-R84 PolarHBondContact O-N 3.39Å; I81-R84 VanDerWaalsContact O-N 3.16Å; R84-R87 PolarHBondContact O-N 3.42Å; R84-L88 WeakPolarHBondContact O-CG 3.21Å; R84-L88 PolarHBondContact O-N 3.1Å
85	H	93.3	Very high	93	Very high	112 Å²	112	114.6 Å²	114.6	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-58.1	-51.8	177.3	-151	115.4	0	0	0	110.8	I81 R82 R87 L88 D89	I81-H85 WeakPolarHBondContact O-CB 3.47Å; I81-H85 PolarHBondContact O-N 3.35Å; R82-H85 PolarHBondContact O-N 3.22Å; H85-R87 PolarHBondContact O-N 3.03Å; H85-L88 PolarHBondContact O-N 3.11Å; H85-D89 IonicContact CD2-OD1 3.53Å; H85-D89 IonicContact CD2-OD2 3.31Å; H85-D89 PolarHBondContact CD2-OD2 2.9Å; H85-D89 VanDerWaalsContact CD2-OD2 3.31Å; H85-D89 IonicContact NE2-OD1 3.84Å; H85-D89 PolarHBondContact O-N 3.41Å
86	K	92.8	Very high	92.9	Very high	140 Å²	140	112.3 Å²	112.3	61%	0.609	54%	0.537	S	S	*	.	H	α-helix	trans	-58	-35	176.6	-171.5	174.7	-175.6	175.2	0	113.1	R82 K90	R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 PolarHBondContact O-N 2.84Å; K86-K90 WeakPolarHBondContact O-CG 3.28Å; K86-K90 PolarHBondContact O-N 3.07Å
87	R	92.5	Very high	92.9	Very high	158 Å²	158	113.4 Å²	113.4	60%	0.596	54%	0.538	S	S	*	.	H	α-helix	trans	-71	-39.7	176.4	-170.5	-176.4	-176.6	-163.1	3.1	111.6	H83 R84 H85 K91	H83-R87 PolarHBondContact O-N 3.42Å; H83-R87 VanDerWaalsContact O-N 3.07Å; R84-R87 PolarHBondContact O-N 3.42Å; H85-R87 PolarHBondContact O-N 3.03Å; R87-K91 PolarHBondContact O-N 3.46Å
88	L	90.8	Very high	92.8	Very high	115 Å²	115	118 Å²	118	60%	0.602	55%	0.551	S	S	*	*	H	α-helix	trans	-67.3	-44.5	176.7	-69.9	173	0	0	0	110.9	R84 H85 K90 K91 L92	R84-L88 WeakPolarHBondContact O-CG 3.21Å; R84-L88 PolarHBondContact O-N 3.1Å; H85-L88 PolarHBondContact O-N 3.11Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 2.89Å; L88-K91 WeakPolarHBondContact O-CB 3.15Å; L88-K91 PolarHBondContact O-N 3.02Å; L88-K91 VanDerWaalsContact O-N 3.1Å; L88-L92 PolarHBondContact O-N 2.96Å
89	D	93.4	Very high	92.7	Very high	71 Å²	71	119.5 Å²	119.5	38%	0.38	56%	0.556	S	S	.	*	H	α-helix	trans	-58.5	-45.6	176.6	-67.6	-18.4	0	0	0	111.9	H85 K91 L92 M93	H85-D89 IonicContact CD2-OD1 3.53Å; H85-D89 IonicContact CD2-OD2 3.31Å; H85-D89 PolarHBondContact CD2-OD2 2.9Å; H85-D89 VanDerWaalsContact CD2-OD2 3.31Å; H85-D89 IonicContact NE2-OD1 3.84Å; H85-D89 PolarHBondContact O-N 3.41Å; D89-K91 VanDerWaalsContact C-N 3.29Å; D89-K91 PolarHBondContact O-N 3.05Å; D89-L92 PolarHBondContact O-N 3.07Å; D89-L92 VanDerWaalsContact O-N 3.15Å; D89-M93 WeakPolarHBondContact O-CB 3.44Å; D89-M93 VanDerWaalsContact O-CG 3.28Å; D89-M93 WeakPolarHBondContact O-CG 3.47Å; D89-M93 PolarHBondContact O-N 3.33Å
90	K	93.5	Very high	92.5	Very high	139 Å²	139	122.2 Å²	122.2	60%	0.604	56%	0.562	S	S	*	*	H	α-helix	trans	-57.4	-42.8	176.1	-78	-178.9	176.4	-166.2	0	112.1	K86 L88 Q94	K86-K90 WeakPolarHBondContact O-CG 3.28Å; K86-K90 PolarHBondContact O-N 3.07Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 2.89Å; K90-Q94 WeakPolarHBondContact O-CB 3.42Å; K90-Q94 PolarHBondContact O-N 3.48Å
91	K	92	Very high	92.3	Very high	109 Å²	109	121.8 Å²	121.8	47%	0.474	57%	0.572	S	S	.	*	H	α-helix	trans	-67.7	-38.9	177.3	-73.8	-175.5	175.2	-169.7	0	111.8	R87 L88 D89 K95	R87-K91 PolarHBondContact O-N 3.46Å; L88-K91 WeakPolarHBondContact O-CB 3.15Å; L88-K91 PolarHBondContact O-N 3.02Å; L88-K91 VanDerWaalsContact O-N 3.1Å; D89-K91 VanDerWaalsContact C-N 3.29Å; D89-K91 PolarHBondContact O-N 3.05Å; K91-K95 WeakPolarHBondContact O-CG 3.18Å; K91-K95 PolarHBondContact O-N 3.26Å; K91-K95 VanDerWaalsContact O-N 3.1Å
92	L	91.9	Very high	92.2	Very high	103 Å²	103	119.6 Å²	119.6	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-64.9	-49.9	177.5	-174.6	67.2	0	0	0	110.6	L88 D89 Q94 K95 V96	L88-L92 PolarHBondContact O-N 2.96Å; D89-L92 PolarHBondContact O-N 3.07Å; D89-L92 VanDerWaalsContact O-N 3.15Å; L92-Q94 VanDerWaalsContact C-N 3.3Å; L92-Q94 PolarHBondContact O-N 3.05Å; L92-K95 WeakPolarHBondContact O-CB 3.46Å; L92-K95 PolarHBondContact O-N 3.16Å; L92-V96 HydrophobicContact CG-CG2 4.49Å; L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.43Å
93	M	90.8	Very high	91.9	Very high	116 Å²	116	114.6 Å²	114.6	57%	0.571	57%	0.573	S	S	*	*	H	α-helix	trans	-61	-38.3	177.8	-66.2	-62.4	-95	0	0	111.9	D89 K95 V96 N97	D89-M93 WeakPolarHBondContact O-CB 3.44Å; D89-M93 VanDerWaalsContact O-CG 3.28Å; D89-M93 WeakPolarHBondContact O-CG 3.47Å; D89-M93 PolarHBondContact O-N 3.33Å; M93-K95 VanDerWaalsContact C-N 3.34Å; M93-K95 PolarHBondContact O-N 3.38Å; M93-V96 PolarHBondContact O-N 3.13Å; M93-N97 VanDerWaalsContact O-CB 3.27Å; M93-N97 WeakPolarHBondContact O-CB 3.44Å; M93-N97 PolarHBondContact O-N 3.14Å; M93-N97 PolarHBondContact O-OD1 3.21Å
94	Q	92.6	Very high	90.9	Very high	143 Å²	143	116 Å²	116	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-63.5	-40	174.3	-172.5	178.3	-2.2	0	0	112.1	K90 L92 F98	K90-Q94 WeakPolarHBondContact O-CB 3.42Å; K90-Q94 PolarHBondContact O-N 3.48Å; L92-Q94 VanDerWaalsContact C-N 3.3Å; L92-Q94 PolarHBondContact O-N 3.05Å; Q94-F98 WeakPolarHBondContact O-CB 3.34Å; Q94-F98 PolarHBondContact O-N 3.37Å
95	K	91.7	Very high	90.8	Very high	145 Å²	145	113.1 Å²	113.1	63%	0.63	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-43.5	175.7	-74.8	-177.5	175.1	-169.4	0	112.2	K91 L92 M93 F98 Q99	K91-K95 WeakPolarHBondContact O-CG 3.18Å; K91-K95 PolarHBondContact O-N 3.26Å; K91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 WeakPolarHBondContact O-CB 3.46Å; L92-K95 PolarHBondContact O-N 3.16Å; M93-K95 VanDerWaalsContact C-N 3.34Å; M93-K95 PolarHBondContact O-N 3.38Å; K95-F98 PolarHBondContact O-N 3.07Å; K95-Q99 WeakPolarHBondContact O-CG 3.31Å; K95-Q99 PolarHBondContact O-N 3.15Å
96	V	92.2	Very high	90.6	Very high	53 Å²	53	113.1 Å²	113.1	32%	0.321	59%	0.591	S	S	.	*	H	α-helix	trans	-63.2	-47.2	177.3	171.8	0	0	0	0	110.3	L92 M93 F98 Q99 I100	L92-V96 HydrophobicContact CG-CG2 4.49Å; L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.43Å; M93-V96 PolarHBondContact O-N 3.13Å; V96-F98 VanDerWaalsContact C-N 3.27Å; V96-F98 PolarHBondContact O-N 3.48Å; V96-Q99 PolarHBondContact O-N 3.39Å; V96-Q99 VanDerWaalsContact O-N 3.14Å; V96-I100 HydrophobicContact CG1-CD1 3.75Å; V96-I100 HydrophobicContact CG1-CG1 4.4Å; V96-I100 VanDerWaalsContact O-CG1 3.32Å; V96-I100 WeakPolarHBondContact O-CG1 3.26Å; V96-I100 PolarHBondContact O-N 2.76Å
97	N	92.5	Very high	90.5	Very high	98 Å²	98	111.6 Å²	111.6	52%	0.524	59%	0.59	S	S	.	*	H	α-helix	trans	-61	-36.7	176.1	-71.7	-4.9	0	0	0	112.2	M93 A101	M93-N97 VanDerWaalsContact O-CB 3.27Å; M93-N97 WeakPolarHBondContact O-CB 3.44Å; M93-N97 PolarHBondContact O-N 3.14Å; M93-N97 PolarHBondContact O-OD1 3.21Å; N97-A101 VanDerWaalsContact O-CB 3.22Å; N97-A101 WeakPolarHBondContact O-CB 3.17Å; N97-A101 PolarHBondContact O-N 3.37Å
98	F	93.6	Very high	90.4	Very high	152 Å²	152	108.9 Å²	108.9	67%	0.667	59%	0.59	S	S	*	*	H	α-helix	trans	-66.9	-41	175	-177.8	-95.4	0	0	0	112.1	Q94 K95 V96 A101 A102	Q94-F98 WeakPolarHBondContact O-CB 3.34Å; Q94-F98 PolarHBondContact O-N 3.37Å; K95-F98 PolarHBondContact O-N 3.07Å; V96-F98 VanDerWaalsContact C-N 3.27Å; V96-F98 PolarHBondContact O-N 3.48Å; F98-A101 PolarHBondContact O-N 3.33Å; F98-A102 VanDerWaalsContact O-CB 3.28Å; F98-A102 WeakPolarHBondContact O-CB 3.16Å; F98-A102 PolarHBondContact O-N 3.4Å
99	Q	92.2	Very high	90.4	Very high	113 Å²	113	108.5 Å²	108.5	53%	0.528	59%	0.589	S	S	.	*	H	α-helix	trans	-64.2	-45.3	175.6	-74.9	177.9	-22.8	0	0	111.9	K95 V96 A101 A102 G103 V104	K95-Q99 WeakPolarHBondContact O-CG 3.31Å; K95-Q99 PolarHBondContact O-N 3.15Å; V96-Q99 PolarHBondContact O-N 3.39Å; V96-Q99 VanDerWaalsContact O-N 3.14Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 2.06Å; Q99-A102 CarbonylContact O-C 3.56Å; Q99-A102 PolarHBondContact O-N 3.28Å; Q99-A102 VanDerWaalsContact O-N 3.16Å; Q99-G103 PolarHBondContact O-N 3.23Å; Q99-G103 VanDerWaalsContact O-N 3.14Å; Q99-V104 PolarHBondContact O-N 3.03Å
100	I	90.9	Very high	90.2	Very high	113 Å²	113	111 Å²	111	58%	0.579	60%	0.603	S	S	*	*	H	α-helix	trans	-60.3	-44.2	175.3	-65.1	167.5	0	0	0	110.5	V96 A102 G103	V96-I100 HydrophobicContact CG1-CD1 3.75Å; V96-I100 HydrophobicContact CG1-CG1 4.4Å; V96-I100 VanDerWaalsContact O-CG1 3.32Å; V96-I100 WeakPolarHBondContact O-CG1 3.26Å; V96-I100 PolarHBondContact O-N 2.76Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 PolarHBondContact O-N 3.14Å; I100-G103 PolarHBondContact O-N 3.46Å; I100-G103 VanDerWaalsContact O-N 3.13Å
101	A	89.3	Confident	90	Very high	87 Å²	87	109 Å²	109	72%	0.719	60%	0.603	S	S	*	*	H	α-helix	trans	-67.8	-30.1	177.4	0	0	0	0	0	113.1	N97 F98 Q99 G103	N97-A101 VanDerWaalsContact O-CB 3.22Å; N97-A101 WeakPolarHBondContact O-CB 3.17Å; N97-A101 PolarHBondContact O-N 3.37Å; F98-A101 PolarHBondContact O-N 3.33Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 2.06Å; A101-G103 PolarHBondContact O-N 3.29Å
102	A	90.9	Very high	89.8	Confident	63 Å²	63	109 Å²	109	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-76.4	-7.7	173.8	0	0	0	0	0	113.1	F98 Q99 I100 V104	F98-A102 VanDerWaalsContact O-CB 3.28Å; F98-A102 WeakPolarHBondContact O-CB 3.16Å; F98-A102 PolarHBondContact O-N 3.4Å; Q99-A102 CarbonylContact O-C 3.56Å; Q99-A102 PolarHBondContact O-N 3.28Å; Q99-A102 VanDerWaalsContact O-N 3.16Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 PolarHBondContact O-N 3.14Å; A102-V104 HydrophobicContact CB-CG2 4.37Å
103	G	87.8	Confident	89.6	Confident	69 Å²	69	109.5 Å²	109.5	71%	0.711	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.1	25.7	178	0	0	0	0	0	114.3	Q99 I100 A101	Q99-G103 PolarHBondContact O-N 3.23Å; Q99-G103 VanDerWaalsContact O-N 3.14Å; I100-G103 PolarHBondContact O-N 3.46Å; I100-G103 VanDerWaalsContact O-N 3.13Å; A101-G103 PolarHBondContact O-N 3.29Å
104	V	71	Confident	89.5	Confident	162 Å²	162	108.9 Å²	108.9	98%	0.982	62%	0.623	S	S	*	*			trans	-87.2	0	169.5	-170	0	0	0	0	109.1	Q99 A102	Q99-V104 PolarHBondContact O-N 3.03Å; A102-V104 HydrophobicContact CB-CG2 4.37Å

Retrieved 104 of 104 residues in 48.1 ms (Link to these results)

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