A0A5K4FC24_SCHMA Loading...

CHCH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 aa.

						>A0A5K4FC24_SCHMA|A0A5K4FC24
MKLTDTCSKLYKRSTTHFPDLQYYKYDFRRATVLKNSVVGKGDRTKRAVCVEEMLAMLACLKESDFDQHPCTQVIDTFNRCVHVMEDKRRATRDGQKPEIVSPTDSSRRPFNRLSSKQVTELLRRFPEP
					

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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	48	Very low	55	Low	203 Å²	203	116.5 Å²	116.5	100%	1	60%	0.595	S	S	*	*				0	115.5	0	-140.5	174.3	-172.9	0	0	107.3
2	K	54.1	Low	54.7	Low	157 Å²	157	121.2 Å²	121.2	68%	0.683	61%	0.608	S	S	*	*			trans	-76.3	137.1	-176.2	-68.5	-178.9	178.5	176.8	0	109.4	T4 D5	K2-T4 WeakPolarHBondContact CB-OG1 3.37Å; K2-T4 PolarHBondContact O-N 3.5Å; K2-D5 WeakPolarHBondContact O-CB 3.31Å; K2-D5 PolarHBondContact O-N 3.32Å
3	L	57.5	Low	54.2	Low	147 Å²	147	129.2 Å²	129.2	77%	0.77	63%	0.627	S	S	*	*	H	α-helix	trans	-54.2	-21.7	174.8	-103.2	139.7	0	0	0	113.2	D5 T6 C7	L3-D5 VanDerWaalsContact C-N 3.33Å; L3-T6 PolarHBondContact O-OG1 3.36Å; L3-C7 PolarHBondContact O-N 3.3Å
4	T	60.2	Low	53.6	Low	93 Å²	93	127.7 Å²	127.7	57%	0.571	64%	0.636	S	S	*	*	H	α-helix	trans	-68.1	-29.8	174.6	53.1	0	0	0	0	113.1	K2 S8	K2-T4 WeakPolarHBondContact CB-OG1 3.37Å; K2-T4 PolarHBondContact O-N 3.5Å; T4-S8 PolarHBondContact O-N 2.93Å; T4-S8 PolarHBondContact O-OG 3.09Å
5	D	58	Low	53.5	Low	76 Å²	76	125.2 Å²	125.2	41%	0.406	63%	0.631	S	S	.	*	H	α-helix	trans	-81.2	-26.3	-176.7	-65.1	-27.9	0	0	0	112.9	K2 L3 S8 K9	K2-D5 WeakPolarHBondContact O-CB 3.31Å; K2-D5 PolarHBondContact O-N 3.32Å; L3-D5 VanDerWaalsContact C-N 3.33Å; D5-S8 WeakPolarHBondContact CA-OG 3.41Å; D5-S8 PolarHBondContact O-OG 3.14Å; D5-S8 VanDerWaalsContact O-OG 3.12Å; D5-K9 VanDerWaalsContact O-CG 3.29Å; D5-K9 WeakPolarHBondContact O-CG 3.33Å; D5-K9 PolarHBondContact O-N 3.04Å
6	T	57.4	Low	53.4	Low	66 Å²	66	124.3 Å²	124.3	41%	0.405	63%	0.634	S	S	.	*	H	α-helix	trans	-78	-39.4	174.9	48.6	0	0	0	0	110.9	L3 K9 L10	L3-T6 PolarHBondContact O-OG1 3.36Å; T6-K9 PolarHBondContact O-N 3.37Å; T6-L10 PolarHBondContact O-N 3.36Å
7	C	56.4	Low	53.3	Low	68 Å²	68	127.1 Å²	127.1	46%	0.459	64%	0.643	S	S	.	*	H	α-helix	trans	-63.8	-42.2	174.3	-73.6	0	0	0	0	112.3	L3 K9 L10 Y11	L3-C7 PolarHBondContact O-N 3.3Å; C7-K9 VanDerWaalsContact C-N 3.35Å; C7-K9 PolarHBondContact O-N 3.47Å; C7-L10 PolarHBondContact O-N 3.29Å; C7-Y11 WeakPolarHBondContact O-CD2 3.44Å; C7-Y11 PolarHBondContact O-N 2.91Å
8	S	55	Low	53.3	Low	56 Å²	56	124.3 Å²	124.3	39%	0.392	63%	0.626	S	S	.	*	H	α-helix	trans	-67.6	-32.4	178.7	51.8	0	0	0	0	113.1	T4 D5 Y11 K12	T4-S8 PolarHBondContact O-N 2.93Å; T4-S8 PolarHBondContact O-OG 3.09Å; D5-S8 WeakPolarHBondContact CA-OG 3.41Å; D5-S8 PolarHBondContact O-OG 3.14Å; D5-S8 VanDerWaalsContact O-OG 3.12Å; S8-Y11 PolarHBondContact O-N 3.34Å; S8-K12 PolarHBondContact O-N 3.46Å
9	K	53.7	Low	53.3	Low	137 Å²	137	122.4 Å²	122.4	60%	0.596	62%	0.623	S	S	*	*	H	α-helix	trans	-68.1	-34.3	174	-74.5	177.1	-175.6	-175.4	0	113.6	D5 T6 C7 Y11 K12	D5-K9 VanDerWaalsContact O-CG 3.29Å; D5-K9 WeakPolarHBondContact O-CG 3.33Å; D5-K9 PolarHBondContact O-N 3.04Å; T6-K9 PolarHBondContact O-N 3.37Å; C7-K9 VanDerWaalsContact C-N 3.35Å; C7-K9 PolarHBondContact O-N 3.47Å; K9-Y11 VanDerWaalsContact C-N 3.32Å; K9-K12 PolarHBondContact O-N 2.77Å
10	L	51.9	Low	53.5	Low	133 Å²	133	121.4 Å²	121.4	70%	0.696	62%	0.62	S	S	*	*	H	α-helix	trans	-70.3	-28.7	176.5	-70.1	172	0	0	0	112.6	T6 C7	T6-L10 PolarHBondContact O-N 3.36Å; C7-L10 PolarHBondContact O-N 3.29Å
11	Y	52.9	Low	53.8	Low	145 Å²	145	119.7 Å²	119.7	57%	0.569	61%	0.612	S	S	*	*	H	α-helix	trans	-82.1	-16.1	178.3	-88.2	-90.3	0	0	0	114.3	C7 S8 K9 R13	C7-Y11 WeakPolarHBondContact O-CD2 3.44Å; C7-Y11 PolarHBondContact O-N 2.91Å; S8-Y11 PolarHBondContact O-N 3.34Å; K9-Y11 VanDerWaalsContact C-N 3.32Å; Y11-R13 PolarHBondContact O-N 3.3Å; Y11-R13 VanDerWaalsContact O-N 3.16Å
12	K	51.7	Low	54.4	Low	173 Å²	173	118.6 Å²	118.6	75%	0.752	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	2.8	180	-80.5	-171	178.8	-168.5	0	115.1	S8 K9 S14	S8-K12 PolarHBondContact O-N 3.46Å; K9-K12 PolarHBondContact O-N 2.77Å; K12-S14 PolarHBondContact O-N 2.94Å
13	R	48.4	Very low	54.9	Low	226 Å²	226	120.5 Å²	120.5	85%	0.853	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-5.2	-165.7	-107.9	-177.5	178.6	-175.8	-0.9	117.4	Y11	Y11-R13 PolarHBondContact O-N 3.3Å; Y11-R13 VanDerWaalsContact O-N 3.16Å
14	S	45.7	Very low	55.2	Low	108 Å²	108	120 Å²	120	76%	0.755	60%	0.597	S	S	*	*			trans	-175.1	86.2	172.5	169.3	0	0	0	0	110.8	K12	K12-S14 PolarHBondContact O-N 2.94Å
15	T	51.8	Low	55.7	Low	90 Å²	90	124.3 Å²	124.3	55%	0.552	61%	0.608	S	S	*	*			trans	-128.2	108.3	158.8	62.3	0	0	0	0	106.6	H17	T15-H17 PolarHBondContact O-N 3.36Å
16	T	52.3	Low	56.3	Low	111 Å²	111	128.4 Å²	128.4	68%	0.681	62%	0.619	S	S	*	*			trans	-47	137	165.1	40.1	0	0	0	0	109.3	F18	T16-F18 WeakPolarHBondContact O-CD2 3.38Å; T16-F18 WeakPolarHBondContact O-CE2 3.06Å; T16-F18 PolarHBondContact O-N 2.93Å
17	H	50.6	Low	56.8	Low	171 Å²	171	133.1 Å²	133.1	79%	0.792	64%	0.642	S	S	*	*			trans	-56.9	108.4	-170.5	-168.5	-68.2	0	0	0	112	T15	T15-H17 PolarHBondContact O-N 3.36Å
18	F	53.4	Low	57.4	Low	77 Å²	77	134.8 Å²	134.8	34%	0.338	64%	0.641	S	S	.	*			trans	-97.1	117.8	167.4	-64.6	-76.6	0	0	0	108.7	T16 D20 L21 A31 V33	T16-F18 WeakPolarHBondContact O-CD2 3.38Å; T16-F18 WeakPolarHBondContact O-CE2 3.06Å; T16-F18 PolarHBondContact O-N 2.93Å; F18-D20 VanDerWaalsContact C-N 3.28Å; F18-D20 PolarHBondContact O-N 2.95Å; F18-L21 HydrophobicContact CB-CD1 4.14Å; F18-A31 HydrophobicContact CD2-CB 4.4Å; F18-A31 HydrophobicContact CE2-CB 3.64Å; F18-A31 HydrophobicContact CZ-CB 4.34Å; F18-V33 HydrophobicContact CE1-CG2 3.5Å; F18-V33 VanDerWaalsContact CE1-CG2 3.5Å; F18-V33 HydrophobicContact CE2-CG2 4.08Å; F18-V33 HydrophobicContact CZ-CG2 3.18Å
19	P	53.3	Low	58.3	Low	89 Å²	89	142.2 Å²	142.2	58%	0.578	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-18.1	-170.9	-21	32.9	0	0	0	115.9
20	D	58.6	Low	59.3	Low	102 Å²	102	144.2 Å²	144.2	55%	0.545	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.6	34.8	-162.4	-63.7	-41.7	0	0	0	115.5	F18 Q22 Y23	F18-D20 VanDerWaalsContact C-N 3.28Å; F18-D20 PolarHBondContact O-N 2.95Å; D20-Q22 PolarHBondContact O-N 3.18Å; D20-Y23 HydrophobicContact CB-CD2 4.14Å; D20-Y23 HydrophobicContact CB-CE2 4.3Å
21	L	60.1	Low	60.3	Low	86 Å²	86	140 Å²	140	45%	0.45	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-67.8	-10.1	173.1	-85.6	139.7	0	0	0	113.8	F18 Y23 Y24 F28	F18-L21 HydrophobicContact CB-CD1 4.14Å; L21-Y23 VanDerWaalsContact C-N 3.27Å; L21-Y23 PolarHBondContact O-N 3.49Å; L21-Y24 PolarHBondContact O-N 2.04Å; L21-F28 HydrophobicContact CD2-CD2 4.37Å
22	Q	60.4	Low	61.5	Low	180 Å²	180	137 Å²	137	84%	0.841	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-71.2	-15.9	-176.1	-58.7	-174.4	20.1	0	0	114.2	D20	D20-Q22 PolarHBondContact O-N 3.18Å
23	Y	64	Low	63	Low	196 Å²	196	131.8 Å²	131.8	77%	0.769	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-88.8	-4.8	-179.6	-62.7	-76	0	0	0	114.2	D20 L21	D20-Y23 HydrophobicContact CB-CD2 4.14Å; D20-Y23 HydrophobicContact CB-CE2 4.3Å; L21-Y23 VanDerWaalsContact C-N 3.27Å; L21-Y23 PolarHBondContact O-N 3.49Å
24	Y	63.1	Low	64.8	Low	137 Å²	137	127.2 Å²	127.2	54%	0.537	62%	0.62	S	S	.	*			trans	-100.5	126.7	-178.7	-66.3	-84.4	0	0	0	110.8	L21 Y26 F28	L21-Y24 PolarHBondContact O-N 2.04Å; Y24-Y26 PolarHBondContact O-N 3.36Å; Y24-F28 AromaticContact CD1-CE2 3.78Å; Y24-F28 HydrophobicContact CD1-CE2 3.78Å; Y24-F28 HydrophobicContact CD1-CZ 4.26Å; Y24-F28 HydrophobicContact CD2-CE2 4.45Å; Y24-F28 HydrophobicContact CE1-CE2 4.41Å; Y24-F28 AromaticContact CG-CE2 3.79Å; Y24-F28 HydrophobicContact CG-CE2 3.79Å
25	K	70.9	Confident	66.8	Low	183 Å²	183	128.7 Å²	128.7	80%	0.796	61%	0.613	S	S	*	*	S	Bend	trans	-60.5	-15.4	177.3	-175.6	174.9	178.8	-179.6	0	113.8
26	Y	71.5	Confident	68.6	Low	163 Å²	163	127.2 Å²	127.2	64%	0.639	60%	0.602	S	S	*	*	S	Bend	trans	-128.9	138.4	-172.7	-58	-74.4	0	0	0	112	Y24 F28	Y24-Y26 PolarHBondContact O-N 3.36Å; Y26-F28 PolarHBondContact O-N 3.36Å
27	D	67.8	Low	70.4	Confident	165 Å²	165	124.5 Å²	124.5	88%	0.882	59%	0.587	S	S	*	*			trans	-71.6	112.3	172.3	-69.5	-25.2	0	0	0	110.9	R29	D27-R29 PolarHBondContact O-N 2.72Å
28	F	68.9	Low	72.3	Confident	103 Å²	103	119.2 Å²	119.2	45%	0.452	57%	0.567	S	S	.	*			trans	-75.1	124	170	-67.2	-82.7	0	0	0	110.3	L21 Y24 Y26 R30 T32	L21-F28 HydrophobicContact CD2-CD2 4.37Å; Y24-F28 AromaticContact CD1-CE2 3.78Å; Y24-F28 HydrophobicContact CD1-CE2 3.78Å; Y24-F28 HydrophobicContact CD1-CZ 4.26Å; Y24-F28 HydrophobicContact CD2-CE2 4.45Å; Y24-F28 HydrophobicContact CE1-CE2 4.41Å; Y24-F28 AromaticContact CG-CE2 3.79Å; Y24-F28 HydrophobicContact CG-CE2 3.79Å; Y26-F28 PolarHBondContact O-N 3.36Å; F28-R30 WeakPolarHBondContact CB-O 3.03Å; F28-R30 PolarHBondContact O-N 3.43Å; F28-T32 HydrophobicContact CB-CG2 4.39Å; F28-T32 HydrophobicContact CD1-CG2 4.17Å; F28-T32 HydrophobicContact CD2-CG2 3.95Å; F28-T32 HydrophobicContact CE1-CG2 4.44Å; F28-T32 HydrophobicContact CE2-CG2 4.23Å; F28-T32 HydrophobicContact CG-CG2 3.91Å; F28-T32 HydrophobicContact CZ-CG2 4.47Å
29	R	74.1	Confident	73.9	Confident	211 Å²	211	122.4 Å²	122.4	80%	0.796	59%	0.592	S	S	*	*	S	Bend	trans	-70.4	-12.2	175.3	-65.6	-170.1	179.9	-154.6	1.5	113.9	D27	D27-R29 PolarHBondContact O-N 2.72Å
30	R	72.9	Confident	75.1	Confident	179 Å²	179	119.6 Å²	119.6	68%	0.675	58%	0.58	S	S	*	*	S	Bend	trans	-134.3	149	-178.8	-67.2	-178.2	177.9	172.7	0.6	108.6	F28	F28-R30 WeakPolarHBondContact CB-O 3.03Å; F28-R30 PolarHBondContact O-N 3.43Å
31	A	75	Confident	75.8	Confident	45 Å²	45	122.1 Å²	122.1	37%	0.372	59%	0.586	S	S	.	*			trans	-55.2	138.2	171.5	0	0	0	0	0	110.9	F18 V33	F18-A31 HydrophobicContact CD2-CB 4.4Å; F18-A31 HydrophobicContact CE2-CB 3.64Å; F18-A31 HydrophobicContact CZ-CB 4.34Å; A31-V33 PolarHBondContact O-N 3.13Å
32	T	77.4	Confident	76.1	Confident	82 Å²	82	120.7 Å²	120.7	50%	0.503	59%	0.592	S	S	.	*	S	Bend	trans	-83	54.6	179.3	53.2	0	0	0	0	111	F28	F28-T32 HydrophobicContact CB-CG2 4.39Å; F28-T32 HydrophobicContact CD1-CG2 4.17Å; F28-T32 HydrophobicContact CD2-CG2 3.95Å; F28-T32 HydrophobicContact CE1-CG2 4.44Å; F28-T32 HydrophobicContact CE2-CG2 4.23Å; F28-T32 HydrophobicContact CG-CG2 3.91Å; F28-T32 HydrophobicContact CZ-CG2 4.47Å
33	V	82.3	Confident	76.3	Confident	63 Å²	63	116.6 Å²	116.6	38%	0.382	58%	0.576	S	S	.	*			trans	-121.7	138	177.4	-179	0	0	0	0	107.5	F18 A31 E128	F18-V33 HydrophobicContact CE1-CG2 3.5Å; F18-V33 VanDerWaalsContact CE1-CG2 3.5Å; F18-V33 HydrophobicContact CE2-CG2 4.08Å; F18-V33 HydrophobicContact CZ-CG2 3.18Å; A31-V33 PolarHBondContact O-N 3.13Å; V33-E128 WeakPolarHBondContact CG1-OE2 3.4Å
34	L	87.3	Confident	76.4	Confident	131 Å²	131	116.7 Å²	116.7	69%	0.686	58%	0.575	S	S	*	*			trans	-69	150.2	176.3	-49.5	178.3	0	0	0	108.9	E128	L34-E128 VanDerWaalsContact CA-OE2 3.31Å; L34-E128 WeakPolarHBondContact CA-OE2 3.35Å; L34-E128 HydrophobicContact CB-CG 4.31Å; L34-E128 WeakPolarHBondContact CB-OE1 3.49Å; L34-E128 WeakPolarHBondContact CB-OE2 3.21Å; L34-E128 WeakPolarHBondContact CD1-OE1 3.5Å; L34-E128 WeakPolarHBondContact CG-OE1 3.46Å; L34-E128 PolarHBondContact N-OE2 3.31Å
35	K	88.1	Confident	76.5	Confident	138 Å²	138	114.6 Å²	114.6	60%	0.6	58%	0.576	S	S	*	*			trans	-90.1	146.3	174.2	-66.1	-174.5	176.5	-170	0	109.1	S37	K35-S37 PolarHBondContact O-N 3.13Å
36	N	89.6	Confident	76.4	Confident	60 Å²	60	114.5 Å²	114.5	32%	0.321	58%	0.576	S	S	.	*	S	Bend	trans	-72.4	22.2	172	-57	-28.3	0	0	0	113.3	P127 E128	N36-P127 WeakPolarHBondContact ND2-CB 3.47Å; N36-P127 WeakPolarHBondContact OD1-CA 3.36Å; N36-E128 PolarHBondContact OD1-N 3.37Å
37	S	90.3	Very high	76.4	Confident	54 Å²	54	119.1 Å²	119.1	38%	0.378	59%	0.592	S	S	.	*			trans	-156.9	144.6	-179.4	66.6	0	0	0	0	110.8	K35	K35-S37 PolarHBondContact O-N 3.13Å
38	V	90	Very high	77.2	Confident	60 Å²	60	114.3 Å²	114.3	36%	0.364	58%	0.575	S	S	.	*			trans	-112.7	140.3	173.6	-64.6	0	0	0	0	110.1	S116 V119 T120 L123	V38-S116 WeakPolarHBondContact CG2-O 3.48Å; V38-V119 HydrophobicContact CG1-CG1 4.02Å; V38-V119 HydrophobicContact CG2-CB 3.77Å; V38-V119 HydrophobicContact CG2-CG1 3.68Å; V38-T120 WeakPolarHBondContact CG2-OG1 3.38Å; V38-T120 PolarHBondContact N-OG1 3.41Å; V38-T120 VanDerWaalsContact N-OG1 3.12Å; V38-T120 PolarHBondContact O-OG1 3.21Å; V38-L123 HydrophobicContact CG1-CD1 3.9Å
39	V	86.2	Confident	78.2	Confident	143 Å²	143	112.6 Å²	112.6	87%	0.867	57%	0.573	S	S	*	*			trans	-80.7	125.2	173.9	-179.7	0	0	0	0	108.2
40	G	79.2	Confident	79.1	Confident	31 Å²	31	103 Å²	103	32%	0.32	54%	0.538	S	S	.	.			trans	-61.6	137.2	173	0	0	0	0	0	111.7	G42 S116	G40-G42 VanDerWaalsContact C-N 3.29Å; G40-G42 PolarHBondContact O-N 3.34Å; G40-S116 WeakPolarHBondContact CA-OG 3.39Å
41	K	71.8	Confident	80.1	Confident	155 Å²	155	97.5 Å²	97.5	67%	0.674	52%	0.524	S	S	*	.			trans	-68.3	96.7	162.9	-171.5	-179.7	-175.5	-175.8	0	105.8
42	G	67.2	Low	81	Confident	56 Å²	56	102.9 Å²	102.9	58%	0.577	54%	0.542	S	S	*	.			trans	-48.8	146.9	176.9	0	0	0	0	0	110.5	G40 R44	G40-G42 VanDerWaalsContact C-N 3.29Å; G40-G42 PolarHBondContact O-N 3.34Å; G42-R44 WeakPolarHBondContact O-CG 3.4Å; G42-R44 PolarHBondContact O-N 3.48Å
43	D	65.2	Low	81.8	Confident	93 Å²	93	101.8 Å²	101.8	50%	0.497	53%	0.531	S	S	.	.			trans	-53.1	108.7	-176.6	-72.8	-34.9	0	0	0	109.9	T45 Q96	D43-T45 PolarHBondContact O-N 3.2Å; D43-T45 VanDerWaalsContact O-N 3.16Å; D43-Q96 PolarHBondContact OD1-NE2 3.11Å; D43-Q96 PolarHBondContact OD2-NE2 3.23Å
44	R	65	Low	82.4	Confident	198 Å²	198	102.2 Å²	102.2	75%	0.747	53%	0.53	S	S	*	.			trans	-81	19.6	178.5	-65	-166.5	-179	175	-2.2	111.8	G42 K46	G42-R44 WeakPolarHBondContact O-CG 3.4Å; G42-R44 PolarHBondContact O-N 3.48Å; R44-K46 PolarHBondContact O-N 2.99Å
45	T	65.9	Low	82.8	Confident	94 Å²	94	101 Å²	101	58%	0.577	52%	0.523	S	S	*	.			trans	-57.6	127.2	173.6	52.9	0	0	0	0	107.7	D43 R47	D43-T45 PolarHBondContact O-N 3.2Å; D43-T45 VanDerWaalsContact O-N 3.16Å; T45-R47 PolarHBondContact O-N 3.15Å
46	K	69	Low	83.1	Confident	180 Å²	180	96.8 Å²	96.8	78%	0.783	51%	0.514	S	S	*	.			trans	-51	129.1	178.8	-67.2	-179.8	179.3	179.7	0	108.1	R44 A48 V49	R44-K46 PolarHBondContact O-N 2.99Å; K46-A48 PolarHBondContact O-N 2.85Å; K46-V49 WeakPolarHBondContact O-CG2 3.36Å
47	R	72.2	Confident	83.4	Confident	261 Å²	261	95.3 Å²	95.3	99%	0.985	51%	0.506	S	S	*	.	S	Bend	trans	-61.4	-36.1	-177.9	-72.3	-176.6	179.8	177.7	-0.8	111.7	T45	T45-R47 PolarHBondContact O-N 3.15Å
48	A	84.3	Confident	83.6	Confident	64 Å²	64	96.7 Å²	96.7	53%	0.529	51%	0.508	S	S	.	.	S	Bend	trans	-97	127.2	173.2	0	0	0	0	0	109.5	K46 V51	K46-A48 PolarHBondContact O-N 2.85Å; A48-V51 HydrophobicContact CB-CG2 3.87Å
49	V	88.4	Confident	83.9	Confident	66 Å²	66	96 Å²	96	40%	0.4	51%	0.509	S	S	.	.			trans	-128.4	153.2	179.5	-172.2	0	0	0	0	107.3	K46 V51 M85	K46-V49 WeakPolarHBondContact O-CG2 3.36Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 2.99Å; V49-M85 HydrophobicContact CB-CE 4.47Å; V49-M85 HydrophobicContact CG1-CB 3.69Å; V49-M85 HydrophobicContact CG1-CE 3.35Å; V49-M85 HydrophobicContact CG1-CG 3.37Å; V49-M85 HydrophobicContact CG1-SD 4Å; V49-M85 HydrophobicContact CG2-CE 4.25Å
50	C	93.2	Very high	84.4	Confident	10 Å²	10	90.5 Å²	90.5	7%	0.068	48%	0.477	C	S	.	.			trans	62.9	35.5	-179	-49.9	0	0	0	0	113.8	E52 E53 M54 F78 C81 V82	C50-E52 VanDerWaalsContact C-N 3.33Å; C50-E53 WeakPolarHBondContact CA-OE2 3.38Å; C50-M54 VanDerWaalsContact O-CB 3.26Å; C50-M54 WeakPolarHBondContact O-CB 3.49Å; C50-M54 PolarHBondContact O-N 2.97Å; C50-F78 HydrophobicContact CB-CD2 4.38Å; C50-F78 HydrophobicContact CB-CE2 4.3Å; C50-C81 VanDerWaalsContact CA-SG 3.58Å; C50-C81 HydrophobicContact CB-CB 3.82Å; C50-C81 WeakPolarHBondContact CB-SG 3.3Å; C50-C81 WeakPolarHBondContact SG-CB 3.33Å; C50-C81 PolarHBondContact SG-O 3.2Å; C50-C81 CovalentContact SG-SG 2.04Å; C50-C81 PolarHBondContact SG-SG 3.5Å; C50-V82 HydrophobicContact CB-CG2 4.47Å; C50-V82 PolarHBondContact SG-N 2.92Å
51	V	94	Very high	85.2	Confident	63 Å²	63	90 Å²	90	38%	0.382	47%	0.467	S	S	.	.	H	α-helix	trans	-68.7	-35.4	-175.9	178.3	0	0	0	0	111.2	A48 V49 M54 L55	A48-V51 HydrophobicContact CB-CG2 3.87Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 2.99Å; V51-M54 HydrophobicContact CG1-CE 4.35Å; V51-M54 PolarHBondContact O-N 2.96Å; V51-L55 HydrophobicContact CG1-CD1 4.13Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.3Å; V51-L55 PolarHBondContact O-N 3.36Å
52	E	93.9	Very high	86.3	Confident	158 Å²	158	90.4 Å²	90.4	74%	0.738	47%	0.468	S	S	*	.	H	α-helix	trans	-68.1	-45.9	-178.4	-66.4	175.3	-172.4	0	0	110.8	C50 M54 L55 A56	C50-E52 VanDerWaalsContact C-N 3.33Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-L55 PolarHBondContact O-N 3.47Å; E52-A56 PolarHBondContact O-N 3.11Å
53	E	94.3	Very high	87.6	Confident	59 Å²	59	95.9 Å²	95.9	28%	0.276	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-39.4	177.2	-57.9	84.5	164.5	0	0	111.1	C50 A56 M57 F78 C81	C50-E53 WeakPolarHBondContact CA-OE2 3.38Å; E53-A56 PolarHBondContact O-N 3.4Å; E53-M57 WeakPolarHBondContact O-CB 3.48Å; E53-M57 PolarHBondContact O-N 3.24Å; E53-F78 HydrophobicContact CB-CB 4.15Å; E53-F78 HydrophobicContact CB-CD2 4.14Å; E53-C81 HydrophobicContact CG-CB 4.22Å
54	M	95	Very high	88.9	Confident	73 Å²	73	92.5 Å²	92.5	36%	0.36	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-44.1	174	-175.5	-177.1	67.7	0	0	111.4	C50 V51 E52 M57 L58 F78	C50-M54 VanDerWaalsContact O-CB 3.26Å; C50-M54 WeakPolarHBondContact O-CB 3.49Å; C50-M54 PolarHBondContact O-N 2.97Å; V51-M54 HydrophobicContact CG1-CE 4.35Å; V51-M54 PolarHBondContact O-N 2.96Å; E52-M54 VanDerWaalsContact C-N 3.35Å; M54-M57 PolarHBondContact O-N 3.03Å; M54-L58 HydrophobicContact CG-CD1 4.09Å; M54-L58 WeakPolarHBondContact O-CB 3.05Å; M54-L58 VanDerWaalsContact O-CG 3.23Å; M54-L58 WeakPolarHBondContact O-CG 3.34Å; M54-L58 PolarHBondContact O-N 3.39Å; M54-F78 HydrophobicContact CB-CD2 4.1Å; M54-F78 HydrophobicContact CB-CE2 3.86Å; M54-F78 HydrophobicContact CG-CE2 4.34Å
55	L	95.8	Very high	90.2	Very high	105 Å²	105	89.9 Å²	89.9	55%	0.55	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-41.6	178.3	-72.6	171.7	0	0	0	111.8	V51 E52 L58 A59	V51-L55 HydrophobicContact CG1-CD1 4.13Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.3Å; V51-L55 PolarHBondContact O-N 3.36Å; E52-L55 PolarHBondContact O-N 3.47Å; L55-L58 PolarHBondContact O-N 3.07Å; L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.28Å
56	A	95.1	Very high	91.4	Very high	49 Å²	49	92.2 Å²	92.2	41%	0.405	47%	0.466	S	S	.	.	H	α-helix	trans	-63	-43.1	175.7	0	0	0	0	0	111.9	E52 E53 A59 C60 V74	E52-A56 PolarHBondContact O-N 3.11Å; E53-A56 PolarHBondContact O-N 3.4Å; A56-A59 PolarHBondContact O-N 3.26Å; A56-C60 PolarHBondContact O-N 3.4Å; A56-V74 HydrophobicContact CB-CG1 3.89Å
57	M	94.9	Very high	92.5	Very high	29 Å²	29	88.8 Å²	88.8	14%	0.143	46%	0.456	C	S	.	.	H	α-helix	trans	-61.6	-46.1	176.7	-176.7	-171.8	68.3	0	0	111.1	E53 M54 A59 C60 L61 V74 I75 F78	E53-M57 WeakPolarHBondContact O-CB 3.48Å; E53-M57 PolarHBondContact O-N 3.24Å; M54-M57 PolarHBondContact O-N 3.03Å; M57-A59 VanDerWaalsContact C-N 3.33Å; M57-A59 PolarHBondContact O-N 2.78Å; M57-C60 PolarHBondContact O-N 3.44Å; M57-L61 HydrophobicContact CG-CD1 4.05Å; M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 VanDerWaalsContact O-CG 3.3Å; M57-L61 WeakPolarHBondContact O-CG 3.3Å; M57-L61 PolarHBondContact O-N 3.49Å; M57-V74 VanDerWaalsContact CA-CG1 3.44Å; M57-V74 HydrophobicContact CB-CG1 3.95Å; M57-V74 VanDerWaalsContact N-CG1 3.33Å; M57-I75 HydrophobicContact CG-CG1 3.98Å; M57-I75 HydrophobicContact SD-CG1 4.1Å; M57-F78 HydrophobicContact CE-CD1 4.31Å; M57-F78 HydrophobicContact CE-CE1 4.43Å; M57-F78 HydrophobicContact SD-CB 4.27Å; M57-F78 HydrophobicContact SD-CD1 3.89Å; M57-F78 HydrophobicContact SD-CG 4.12Å
58	L	95.7	Very high	93.4	Very high	83 Å²	83	82.6 Å²	82.6	44%	0.435	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-34.9	178.1	-70	172.9	0	0	0	112.5	M54 L55 K62	M54-L58 HydrophobicContact CG-CD1 4.09Å; M54-L58 WeakPolarHBondContact O-CB 3.05Å; M54-L58 VanDerWaalsContact O-CG 3.23Å; M54-L58 WeakPolarHBondContact O-CG 3.34Å; M54-L58 PolarHBondContact O-N 3.39Å; L55-L58 PolarHBondContact O-N 3.07Å; L58-K62 VanDerWaalsContact O-CB 3.3Å; L58-K62 WeakPolarHBondContact O-CB 3.49Å; L58-K62 PolarHBondContact O-N 2.92Å
59	A	95.7	Very high	93.7	Very high	47 Å²	47	87.5 Å²	87.5	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-47.7	174.5	0	0	0	0	0	111.4	L55 A56 M57 L61 K62 E63	L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.28Å; A56-A59 PolarHBondContact O-N 3.26Å; M57-A59 VanDerWaalsContact C-N 3.33Å; M57-A59 PolarHBondContact O-N 2.78Å; A59-L61 PolarHBondContact O-N 3.34Å; A59-K62 WeakPolarHBondContact O-CB 3.44Å; A59-K62 PolarHBondContact O-N 3.46Å; A59-E63 WeakPolarHBondContact O-CG 3.42Å; A59-E63 PolarHBondContact O-N 2.98Å; A59-E63 VanDerWaalsContact O-N 3.11Å
60	C	96.1	Very high	93.9	Very high	26 Å²	26	88.4 Å²	88.4	18%	0.176	46%	0.457	C	S	.	.	H	α-helix	trans	-61.9	-45.9	177.2	-176.9	0	0	0	0	112.1	A56 M57 K62 E63 S64 C71 V74	A56-C60 PolarHBondContact O-N 3.4Å; M57-C60 PolarHBondContact O-N 3.44Å; C60-K62 PolarHBondContact O-N 2.95Å; C60-E63 PolarHBondContact O-N 3.46Å; C60-E63 VanDerWaalsContact O-N 3.13Å; C60-S64 PolarHBondContact O-N 3.14Å; C60-S64 VanDerWaalsContact O-N 3.13Å; C60-S64 PolarHBondContact O-OG 3.37Å; C60-C71 HydrophobicContact CB-CB 3.94Å; C60-C71 WeakPolarHBondContact CB-SG 3.42Å; C60-C71 PolarHBondContact O-SG 2.82Å; C60-C71 VanDerWaalsContact O-SG 3.36Å; C60-C71 WeakPolarHBondContact SG-CA 3.28Å; C60-C71 WeakPolarHBondContact SG-CB 3.5Å; C60-C71 CovalentContact SG-SG 2.04Å; C60-C71 PolarHBondContact SG-SG 3.11Å; C60-V74 HydrophobicContact CB-CG2 4.38Å
61	L	96	Very high	93.9	Very high	21 Å²	21	87.9 Å²	87.9	11%	0.11	45%	0.454	C	S	.	.	H	α-helix	trans	-61.6	-36.6	178.1	-71.5	171.4	0	0	0	111.4	M57 A59 E63 S64 D65 F66 Q68 C71	M57-L61 HydrophobicContact CG-CD1 4.05Å; M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 VanDerWaalsContact O-CG 3.3Å; M57-L61 WeakPolarHBondContact O-CG 3.3Å; M57-L61 PolarHBondContact O-N 3.49Å; A59-L61 PolarHBondContact O-N 3.34Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-S64 WeakPolarHBondContact CA-OG 3.23Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 3.43Å; L61-D65 PolarHBondContact O-N 2.93Å; L61-F66 HydrophobicContact CB-CD1 3.97Å; L61-F66 HydrophobicContact CB-CE1 4.44Å; L61-F66 WeakPolarHBondContact O-CA 3.45Å; L61-F66 PolarHBondContact O-N 3.4Å; L61-Q68 HydrophobicContact CD2-CG 4.39Å; L61-C71 HydrophobicContact CD2-CB 4.25Å; L61-C71 PolarHBondContact N-SG 2.83Å
62	K	96.1	Very high	93.9	Very high	163 Å²	163	88.6 Å²	88.6	71%	0.709	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-36.5	176	-175.1	-176.1	175.9	-171.2	0	112.6	L58 A59 C60 S64	L58-K62 VanDerWaalsContact O-CB 3.3Å; L58-K62 WeakPolarHBondContact O-CB 3.49Å; L58-K62 PolarHBondContact O-N 2.92Å; A59-K62 WeakPolarHBondContact O-CB 3.44Å; A59-K62 PolarHBondContact O-N 3.46Å; C60-K62 PolarHBondContact O-N 2.95Å; K62-S64 VanDerWaalsContact C-N 3.3Å
63	E	94.8	Very high	94	Very high	171 Å²	171	88.4 Å²	88.4	80%	0.799	46%	0.458	S	S	*	.	H	α-helix	trans	-75.2	-20.6	179.1	-71.5	173.8	-174.5	0	0	113.2	A59 C60 L61	A59-E63 WeakPolarHBondContact O-CG 3.42Å; A59-E63 PolarHBondContact O-N 2.98Å; A59-E63 VanDerWaalsContact O-N 3.11Å; C60-E63 PolarHBondContact O-N 3.46Å; C60-E63 VanDerWaalsContact O-N 3.13Å; L61-E63 VanDerWaalsContact C-N 3.34Å
64	S	90.8	Very high	93.9	Very high	22 Å²	22	87.3 Å²	87.3	15%	0.154	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	21.3	-175.6	52.2	0	0	0	0	113.6	C60 L61 K62 F66 D67 P70 C71	C60-S64 PolarHBondContact O-N 3.14Å; C60-S64 VanDerWaalsContact O-N 3.13Å; C60-S64 PolarHBondContact O-OG 3.37Å; L61-S64 WeakPolarHBondContact CA-OG 3.23Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 3.43Å; K62-S64 VanDerWaalsContact C-N 3.3Å; S64-F66 PolarHBondContact O-N 3.39Å; S64-F66 VanDerWaalsContact O-N 3.09Å; S64-D67 WeakPolarHBondContact O-CB 3.42Å; S64-D67 PolarHBondContact O-N 3.04Å; S64-D67 PolarHBondContact OG-O 2.91Å; S64-P70 VanDerWaalsContact CB-CG 3.42Å; S64-C71 PolarHBondContact OG-SG 2.94Å; S64-C71 VanDerWaalsContact OG-SG 3.36Å
65	D	93.4	Very high	93.9	Very high	143 Å²	143	85.3 Å²	85.3	77%	0.765	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.2	-177.4	-68.9	-40.1	0	0	0	113.8	L61 D67	L61-D65 PolarHBondContact O-N 2.93Å; D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 3.32Å
66	F	91.2	Very high	93.9	Very high	143 Å²	143	84.1 Å²	84.1	63%	0.627	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	17.1	-177	-57	-91.6	0	0	0	115.5	L61 S64 Q68	L61-F66 HydrophobicContact CB-CD1 3.97Å; L61-F66 HydrophobicContact CB-CE1 4.44Å; L61-F66 WeakPolarHBondContact O-CA 3.45Å; L61-F66 PolarHBondContact O-N 3.4Å; S64-F66 PolarHBondContact O-N 3.39Å; S64-F66 VanDerWaalsContact O-N 3.09Å; F66-Q68 PolarHBondContact O-N 2.86Å
67	D	92	Very high	93.9	Very high	109 Å²	109	84.9 Å²	84.9	58%	0.583	44%	0.439	S	S	*	.			trans	-69.3	122.6	168.2	-78	-23.6	0	0	0	110.7	S64 D65 H69 P70	S64-D67 WeakPolarHBondContact O-CB 3.42Å; S64-D67 PolarHBondContact O-N 3.04Å; S64-D67 PolarHBondContact OG-O 2.91Å; D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 3.32Å; D67-H69 VanDerWaalsContact C-N 3.35Å; D67-H69 PolarHBondContact O-N 3.46Å; D67-P70 HydrophobicContact CB-CG 4.34Å; D67-P70 VanDerWaalsContact O-CD 3.31Å; D67-P70 WeakPolarHBondContact O-CD 3.35Å; D67-P70 WeakPolarHBondContact O-CG 3.46Å
68	Q	89.9	Confident	94	Very high	130 Å²	130	85.5 Å²	85.5	61%	0.607	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.7	-177.3	-65	-176.9	0.9	0	0	113	L61 F66 C71 T72 I75	L61-Q68 HydrophobicContact CD2-CG 4.39Å; F66-Q68 PolarHBondContact O-N 2.86Å; Q68-C71 CarbonylContact O-C 3.53Å; Q68-C71 PolarHBondContact O-N 3.36Å; Q68-T72 PolarHBondContact O-N 3.17Å; Q68-T72 VanDerWaalsContact O-N 3.14Å; Q68-I75 HydrophobicContact CB-CD1 4Å; Q68-I75 HydrophobicContact CG-CD1 4.21Å
69	H	92.3	Very high	94	Very high	167 Å²	167	85.5 Å²	85.5	77%	0.773	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-49.5	-175.3	-70.8	12.5	0	0	0	113.7	D67 C71 T72	D67-H69 VanDerWaalsContact C-N 3.35Å; D67-H69 PolarHBondContact O-N 3.46Å; H69-C71 VanDerWaalsContact C-N 3.25Å; H69-C71 PolarHBondContact O-N 3.05Å; H69-T72 WeakPolarHBondContact O-CG2 3.24Å; H69-T72 PolarHBondContact O-OG1 2.04Å
70	P	91.9	Very high	94	Very high	85 Å²	85	91.4 Å²	91.4	55%	0.552	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.8	175.8	25.8	-35	0	0	0	113.5	S64 D67	S64-P70 VanDerWaalsContact CB-CG 3.42Å; D67-P70 HydrophobicContact CB-CG 4.34Å; D67-P70 VanDerWaalsContact O-CD 3.31Å; D67-P70 WeakPolarHBondContact O-CD 3.35Å; D67-P70 WeakPolarHBondContact O-CG 3.46Å
71	C	93.6	Very high	94	Very high	0 Å²	0	91.3 Å²	91.3	0%	0	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	6.8	-173.5	-59.2	0	0	0	0	114.7	C60 L61 S64 Q68 H69 Q73 V74 I75	C60-C71 HydrophobicContact CB-CB 3.94Å; C60-C71 WeakPolarHBondContact CB-SG 3.42Å; C60-C71 PolarHBondContact O-SG 2.82Å; C60-C71 VanDerWaalsContact O-SG 3.36Å; C60-C71 WeakPolarHBondContact SG-CA 3.28Å; C60-C71 WeakPolarHBondContact SG-CB 3.5Å; C60-C71 CovalentContact SG-SG 2.04Å; C60-C71 PolarHBondContact SG-SG 3.11Å; L61-C71 HydrophobicContact CD2-CB 4.25Å; L61-C71 PolarHBondContact N-SG 2.83Å; S64-C71 PolarHBondContact OG-SG 2.94Å; S64-C71 VanDerWaalsContact OG-SG 3.36Å; Q68-C71 CarbonylContact O-C 3.53Å; Q68-C71 PolarHBondContact O-N 3.36Å; H69-C71 VanDerWaalsContact C-N 3.25Å; H69-C71 PolarHBondContact O-N 3.05Å; C71-Q73 VanDerWaalsContact C-N 3.28Å; C71-Q73 PolarHBondContact O-N 3.25Å; C71-V74 PolarHBondContact O-N 3.42Å; C71-I75 HydrophobicContact CB-CD1 4.24Å; C71-I75 HydrophobicContact CB-CG1 4.45Å; C71-I75 WeakPolarHBondContact O-CG1 3.01Å; C71-I75 PolarHBondContact O-N 3.03Å
72	T	94.5	Very high	93.9	Very high	78 Å²	78	92.4 Å²	92.4	48%	0.479	46%	0.46	S	S	.	.	H	α-helix	trans	-49.3	-45.2	-176.8	46	0	0	0	0	113.2	Q68 H69 V74 I75 D76	Q68-T72 PolarHBondContact O-N 3.17Å; Q68-T72 VanDerWaalsContact O-N 3.14Å; H69-T72 WeakPolarHBondContact O-CG2 3.24Å; H69-T72 PolarHBondContact O-OG1 2.04Å; T72-V74 VanDerWaalsContact C-N 3.32Å; T72-V74 PolarHBondContact O-N 3.03Å; T72-I75 PolarHBondContact O-N 2.99Å; T72-D76 PolarHBondContact O-N 3.46Å
73	Q	94.1	Very high	93.9	Very high	154 Å²	154	90.2 Å²	90.2	72%	0.72	45%	0.453	S	S	*	.	H	α-helix	trans	-61.7	-38.8	178.8	-171.1	178.3	13	0	0	112.8	C71 T77	C71-Q73 VanDerWaalsContact C-N 3.28Å; C71-Q73 PolarHBondContact O-N 3.25Å; Q73-T77 WeakPolarHBondContact O-CG2 3.26Å; Q73-T77 PolarHBondContact O-N 2.97Å
74	V	93.6	Very high	93.8	Very high	36 Å²	36	85.4 Å²	85.4	22%	0.218	44%	0.435	C	S	.	.	H	α-helix	trans	-77.4	-32.8	-179	-167	0	0	0	0	111.2	A56 M57 C60 C71 T72 T77 F78	A56-V74 HydrophobicContact CB-CG1 3.89Å; M57-V74 VanDerWaalsContact CA-CG1 3.44Å; M57-V74 HydrophobicContact CB-CG1 3.95Å; M57-V74 VanDerWaalsContact N-CG1 3.33Å; C60-V74 HydrophobicContact CB-CG2 4.38Å; C71-V74 PolarHBondContact O-N 3.42Å; T72-V74 VanDerWaalsContact C-N 3.32Å; T72-V74 PolarHBondContact O-N 3.03Å; V74-T77 WeakPolarHBondContact CA-OG1 3.11Å; V74-T77 PolarHBondContact O-OG1 3.46Å; V74-F78 PolarHBondContact O-N 3.46Å; V74-F78 VanDerWaalsContact O-N 3.15Å
75	I	94.9	Very high	93.8	Very high	30 Å²	30	87.6 Å²	87.6	15%	0.154	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-42.9	172.9	-65.4	168.2	0	0	0	109.9	M57 Q68 C71 T72 T77 F78 N79	M57-I75 HydrophobicContact CG-CG1 3.98Å; M57-I75 HydrophobicContact SD-CG1 4.1Å; Q68-I75 HydrophobicContact CB-CD1 4Å; Q68-I75 HydrophobicContact CG-CD1 4.21Å; C71-I75 HydrophobicContact CB-CD1 4.24Å; C71-I75 HydrophobicContact CB-CG1 4.45Å; C71-I75 WeakPolarHBondContact O-CG1 3.01Å; C71-I75 PolarHBondContact O-N 3.03Å; T72-I75 PolarHBondContact O-N 2.99Å; I75-T77 PolarHBondContact O-N 3.26Å; I75-F78 PolarHBondContact O-N 3.49Å; I75-N79 WeakPolarHBondContact O-CB 3.24Å; I75-N79 VanDerWaalsContact O-CG 3.3Å; I75-N79 PolarHBondContact O-N 3.01Å; I75-N79 PolarHBondContact O-ND2 2.85Å
76	D	95.7	Very high	93.7	Very high	81 Å²	81	85.3 Å²	85.3	43%	0.433	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-39.4	178	-79.8	-11.2	0	0	0	112.7	T72 N79 R80	T72-D76 PolarHBondContact O-N 3.46Å; D76-N79 PolarHBondContact O-N 3.12Å; D76-R80 WeakPolarHBondContact O-CB 3.39Å; D76-R80 WeakPolarHBondContact O-CG 3.48Å; D76-R80 PolarHBondContact O-N 3.2Å
77	T	95.4	Very high	93.7	Very high	64 Å²	64	82 Å²	82	39%	0.393	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-42.6	176.7	55.6	0	0	0	0	111.6	Q73 V74 I75 R80 C81	Q73-T77 WeakPolarHBondContact O-CG2 3.26Å; Q73-T77 PolarHBondContact O-N 2.97Å; V74-T77 WeakPolarHBondContact CA-OG1 3.11Å; V74-T77 PolarHBondContact O-OG1 3.46Å; I75-T77 PolarHBondContact O-N 3.26Å; T77-R80 PolarHBondContact O-N 3.08Å; T77-C81 PolarHBondContact O-N 3.08Å; T77-C81 VanDerWaalsContact O-N 3.08Å
78	F	96.1	Very high	93.5	Very high	43 Å²	43	82.4 Å²	82.4	19%	0.189	41%	0.413	C	S	.	.	H	α-helix	trans	-58.8	-50	173.3	172.6	-104.2	0	0	0	111.6	C50 E53 M54 M57 V74 I75 R80 C81 V82	C50-F78 HydrophobicContact CB-CD2 4.38Å; C50-F78 HydrophobicContact CB-CE2 4.3Å; E53-F78 HydrophobicContact CB-CB 4.15Å; E53-F78 HydrophobicContact CB-CD2 4.14Å; M54-F78 HydrophobicContact CB-CD2 4.1Å; M54-F78 HydrophobicContact CB-CE2 3.86Å; M54-F78 HydrophobicContact CG-CE2 4.34Å; M57-F78 HydrophobicContact CE-CD1 4.31Å; M57-F78 HydrophobicContact CE-CE1 4.43Å; M57-F78 HydrophobicContact SD-CB 4.27Å; M57-F78 HydrophobicContact SD-CD1 3.89Å; M57-F78 HydrophobicContact SD-CG 4.12Å; V74-F78 PolarHBondContact O-N 3.46Å; V74-F78 VanDerWaalsContact O-N 3.15Å; I75-F78 PolarHBondContact O-N 3.49Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 3.34Å; F78-C81 WeakPolarHBondContact O-CB 3.45Å; F78-C81 PolarHBondContact O-N 2.98Å; F78-C81 VanDerWaalsContact O-N 3.14Å; F78-V82 HydrophobicContact CD1-CG2 4.41Å; F78-V82 HydrophobicContact CD2-CG2 4.3Å; F78-V82 HydrophobicContact CE1-CG2 3.96Å; F78-V82 HydrophobicContact CE2-CG2 3.83Å; F78-V82 HydrophobicContact CZ-CG2 3.65Å; F78-V82 WeakPolarHBondContact O-CG2 3.43Å; F78-V82 PolarHBondContact O-N 2.89Å
79	N	95.5	Very high	93.3	Very high	83 Å²	83	85 Å²	85	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-41.2	-179.9	-74.6	-26.7	0	0	0	112.5	I75 D76 V82 H83	I75-N79 WeakPolarHBondContact O-CB 3.24Å; I75-N79 VanDerWaalsContact O-CG 3.3Å; I75-N79 PolarHBondContact O-N 3.01Å; I75-N79 PolarHBondContact O-ND2 2.85Å; D76-N79 PolarHBondContact O-N 3.12Å; N79-V82 PolarHBondContact O-N 3.25Å; N79-H83 PolarHBondContact O-N 3.14Å
80	R	96.2	Very high	93	Very high	171 Å²	171	82.9 Å²	82.9	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-61.6	-44.3	175.1	-73.3	171.3	-167.3	-172	6	111.8	D76 T77 F78 V82 H83 V84	D76-R80 WeakPolarHBondContact O-CB 3.39Å; D76-R80 WeakPolarHBondContact O-CG 3.48Å; D76-R80 PolarHBondContact O-N 3.2Å; T77-R80 PolarHBondContact O-N 3.08Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 3.34Å; R80-V82 VanDerWaalsContact C-N 3.34Å; R80-V82 PolarHBondContact O-N 2.92Å; R80-H83 PolarHBondContact O-N 2.69Å; R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 2.75Å
81	C	95.8	Very high	92.6	Very high	24 Å²	24	81.9 Å²	81.9	16%	0.162	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-46.6	176.8	179.9	0	0	0	0	111.1	C50 E53 T77 F78 H83 V84 M85	C50-C81 VanDerWaalsContact CA-SG 3.58Å; C50-C81 HydrophobicContact CB-CB 3.82Å; C50-C81 WeakPolarHBondContact CB-SG 3.3Å; C50-C81 WeakPolarHBondContact SG-CB 3.33Å; C50-C81 PolarHBondContact SG-O 3.2Å; C50-C81 CovalentContact SG-SG 2.04Å; C50-C81 PolarHBondContact SG-SG 3.5Å; E53-C81 HydrophobicContact CG-CB 4.22Å; T77-C81 PolarHBondContact O-N 3.08Å; T77-C81 VanDerWaalsContact O-N 3.08Å; F78-C81 WeakPolarHBondContact O-CB 3.45Å; F78-C81 PolarHBondContact O-N 2.98Å; F78-C81 VanDerWaalsContact O-N 3.14Å; C81-H83 PolarHBondContact O-N 3.34Å; C81-V84 PolarHBondContact O-N 2.97Å; C81-M85 WeakPolarHBondContact O-CB 3.25Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.39Å; C81-M85 PolarHBondContact O-N 3.36Å
82	V	94.9	Very high	91.9	Very high	43 Å²	43	85 Å²	85	26%	0.261	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-48.4	178.8	173.1	0	0	0	0	110.6	C50 F78 N79 R80 V84 M85 E86	C50-V82 HydrophobicContact CB-CG2 4.47Å; C50-V82 PolarHBondContact SG-N 2.92Å; F78-V82 HydrophobicContact CD1-CG2 4.41Å; F78-V82 HydrophobicContact CD2-CG2 4.3Å; F78-V82 HydrophobicContact CE1-CG2 3.96Å; F78-V82 HydrophobicContact CE2-CG2 3.83Å; F78-V82 HydrophobicContact CZ-CG2 3.65Å; F78-V82 WeakPolarHBondContact O-CG2 3.43Å; F78-V82 PolarHBondContact O-N 2.89Å; N79-V82 PolarHBondContact O-N 3.25Å; R80-V82 VanDerWaalsContact C-N 3.34Å; R80-V82 PolarHBondContact O-N 2.92Å; V82-V84 PolarHBondContact O-N 3.23Å; V82-M85 PolarHBondContact O-N 3.07Å; V82-M85 VanDerWaalsContact O-N 3.17Å; V82-E86 HydrophobicContact CG1-CG 4.27Å; V82-E86 WeakPolarHBondContact O-CG 3.49Å; V82-E86 PolarHBondContact O-N 3.2Å
83	H	94.6	Very high	91.1	Very high	118 Å²	118	87.7 Å²	87.7	55%	0.546	42%	0.422	S	S	.	.	H	α-helix	trans	-58.1	-49.7	179.5	-167.2	-68.4	0	0	0	112.1	N79 R80 C81 M85 E86 D87	N79-H83 PolarHBondContact O-N 3.14Å; R80-H83 PolarHBondContact O-N 2.69Å; C81-H83 PolarHBondContact O-N 3.34Å; H83-M85 PolarHBondContact O-N 3.22Å; H83-E86 PolarHBondContact O-N 3.28Å; H83-D87 IonicContact CE1-OD1 3.98Å; H83-D87 IonicContact CE1-OD2 3.89Å; H83-D87 PolarHBondContact CE1-OD2 2.88Å; H83-D87 IonicContact ND1-OD1 2.72Å; H83-D87 IonicContact ND1-OD2 3.61Å; H83-D87 PolarHBondContact ND1-OD2 3.26Å; H83-D87 VanDerWaalsContact O-CG 3.25Å; H83-D87 PolarHBondContact O-N 3.39Å
84	V	93.8	Very high	90.3	Very high	70 Å²	70	83.9 Å²	83.9	42%	0.424	41%	0.407	S	S	.	.	H	α-helix	trans	-59.4	-37.8	178.9	169.5	0	0	0	0	111.6	R80 C81 V82 K88	R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 2.75Å; C81-V84 PolarHBondContact O-N 2.97Å; V82-V84 PolarHBondContact O-N 3.23Å; V84-K88 HydrophobicContact CG1-CD 4.22Å; V84-K88 WeakPolarHBondContact O-CB 3.32Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.42Å; V84-K88 PolarHBondContact O-N 3.25Å
85	M	90.9	Very high	89	Confident	67 Å²	67	85.3 Å²	85.3	33%	0.33	43%	0.429	S	S	.	.	H	α-helix	trans	-80.3	-32.1	-177.4	-67.2	-62.1	-61.5	0	0	112.5	V49 C81 V82 H83 K88 R89	V49-M85 HydrophobicContact CB-CE 4.47Å; V49-M85 HydrophobicContact CG1-CB 3.69Å; V49-M85 HydrophobicContact CG1-CE 3.35Å; V49-M85 HydrophobicContact CG1-CG 3.37Å; V49-M85 HydrophobicContact CG1-SD 4Å; V49-M85 HydrophobicContact CG2-CE 4.25Å; C81-M85 WeakPolarHBondContact O-CB 3.25Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.39Å; C81-M85 PolarHBondContact O-N 3.36Å; V82-M85 PolarHBondContact O-N 3.07Å; V82-M85 VanDerWaalsContact O-N 3.17Å; H83-M85 PolarHBondContact O-N 3.22Å; M85-K88 HydrophobicContact SD-CD 3.7Å; M85-R89 WeakPolarHBondContact O-CB 3.47Å; M85-R89 PolarHBondContact O-N 2.76Å
86	E	90.4	Very high	87.5	Confident	96 Å²	96	87.6 Å²	87.6	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-63.5	-45.2	167.8	-75.9	-164	-175.8	0	0	111.8	V82 H83 K88 R89 R90	V82-E86 HydrophobicContact CG1-CG 4.27Å; V82-E86 WeakPolarHBondContact O-CG 3.49Å; V82-E86 PolarHBondContact O-N 3.2Å; H83-E86 PolarHBondContact O-N 3.28Å; E86-K88 VanDerWaalsContact C-N 3.34Å; E86-K88 PolarHBondContact O-N 2.97Å; E86-R89 CarbonylContact O-C 3.6Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.15Å; E86-R90 PolarHBondContact O-N 3.05Å; E86-R90 IonicContact OE2-NH2 3.03Å
87	D	91.3	Very high	85.8	Confident	74 Å²	74	90.3 Å²	90.3	40%	0.396	45%	0.447	S	S	.	.	H	α-helix	trans	-60.5	-44.9	176.8	-69.8	-25.4	0	0	0	111.2	H83 R89 R90 A91	H83-D87 IonicContact CE1-OD1 3.98Å; H83-D87 IonicContact CE1-OD2 3.89Å; H83-D87 PolarHBondContact CE1-OD2 2.88Å; H83-D87 IonicContact ND1-OD1 2.72Å; H83-D87 IonicContact ND1-OD2 3.61Å; H83-D87 PolarHBondContact ND1-OD2 3.26Å; H83-D87 VanDerWaalsContact O-CG 3.25Å; H83-D87 PolarHBondContact O-N 3.39Å; D87-R89 VanDerWaalsContact C-N 3.32Å; D87-R89 PolarHBondContact O-N 3.16Å; D87-R90 PolarHBondContact O-N 2.94Å; D87-A91 WeakPolarHBondContact O-CB 3.25Å; D87-A91 PolarHBondContact O-N 3.5Å
88	K	87.8	Confident	83.8	Confident	117 Å²	117	91.4 Å²	91.4	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-58.9	-43.5	173.2	-76.4	170	-176.7	171.8	0	111.6	V84 M85 E86 R90 A91 T92	V84-K88 HydrophobicContact CG1-CD 4.22Å; V84-K88 WeakPolarHBondContact O-CB 3.32Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.42Å; V84-K88 PolarHBondContact O-N 3.25Å; M85-K88 HydrophobicContact SD-CD 3.7Å; E86-K88 VanDerWaalsContact C-N 3.34Å; E86-K88 PolarHBondContact O-N 2.97Å; K88-R90 VanDerWaalsContact C-N 3.35Å; K88-A91 PolarHBondContact O-N 2.84Å; K88-T92 WeakPolarHBondContact O-CG2 3.37Å; K88-T92 PolarHBondContact O-N 2.97Å; K88-T92 PolarHBondContact O-OG1 3.3Å
89	R	85.3	Confident	81.7	Confident	185 Å²	185	97 Å²	97	70%	0.698	48%	0.482	S	S	*	.	H	α-helix	trans	-65.7	-37.3	178.7	-173.7	177.9	-178.7	-176.7	-0.9	112.1	M85 E86 D87 T92 R93	M85-R89 WeakPolarHBondContact O-CB 3.47Å; M85-R89 PolarHBondContact O-N 2.76Å; E86-R89 CarbonylContact O-C 3.6Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 VanDerWaalsContact O-N 3.11Å; D87-R89 VanDerWaalsContact C-N 3.32Å; D87-R89 PolarHBondContact O-N 3.16Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3.3Å; R89-R93 WeakPolarHBondContact O-CB 3.24Å; R89-R93 PolarHBondContact O-N 3.46Å; R89-R93 VanDerWaalsContact O-N 3.08Å
90	R	86.5	Confident	79.5	Confident	122 Å²	122	100.1 Å²	100.1	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-50.4	173.5	-69.8	171	-168.8	-89.9	-1.3	109.9	E86 D87 K88 T92 R93 D94	E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.15Å; E86-R90 PolarHBondContact O-N 3.05Å; E86-R90 IonicContact OE2-NH2 3.03Å; D87-R90 PolarHBondContact O-N 2.94Å; K88-R90 VanDerWaalsContact C-N 3.35Å; R90-T92 PolarHBondContact O-N 2.72Å; R90-R93 WeakPolarHBondContact O-CB 3.36Å; R90-R93 PolarHBondContact O-N 3.23Å; R90-R93 VanDerWaalsContact O-N 3.08Å; R90-D94 WeakPolarHBondContact O-CB 3.46Å; R90-D94 VanDerWaalsContact O-CG 3.27Å; R90-D94 PolarHBondContact O-N 3.48Å
91	A	84.4	Confident	77.3	Confident	64 Å²	64	96.3 Å²	96.3	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-57.6	-42.9	177.7	0	0	0	0	0	113	D87 K88 D94 G95	D87-A91 WeakPolarHBondContact O-CB 3.25Å; D87-A91 PolarHBondContact O-N 3.5Å; K88-A91 PolarHBondContact O-N 2.84Å; A91-D94 PolarHBondContact O-N 2.91Å; A91-G95 PolarHBondContact O-N 3.06Å
92	T	78.2	Confident	74.7	Confident	66 Å²	66	98.9 Å²	98.9	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-35.6	176.6	54.4	0	0	0	0	112.8	K88 R89 R90 Q96	K88-T92 WeakPolarHBondContact O-CG2 3.37Å; K88-T92 PolarHBondContact O-N 2.97Å; K88-T92 PolarHBondContact O-OG1 3.3Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3.3Å; R90-T92 PolarHBondContact O-N 2.72Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.75Å
93	R	78.4	Confident	72.4	Confident	133 Å²	133	102.5 Å²	102.5	50%	0.502	54%	0.535	S	S	.	.	H	α-helix	trans	-69.2	-40.8	176.7	-178.5	-174.3	65	-152.7	-3.8	111.2	R89 R90 Q96	R89-R93 WeakPolarHBondContact O-CB 3.24Å; R89-R93 PolarHBondContact O-N 3.46Å; R89-R93 VanDerWaalsContact O-N 3.08Å; R90-R93 WeakPolarHBondContact O-CB 3.36Å; R90-R93 PolarHBondContact O-N 3.23Å; R90-R93 VanDerWaalsContact O-N 3.08Å; R93-Q96 PolarHBondContact O-N 2.94Å
94	D	77.1	Confident	70	Confident	75 Å²	75	101.7 Å²	101.7	40%	0.401	54%	0.539	S	S	.	.	H	α-helix	trans	-72.2	-37.6	-178.2	-64.9	-30	0	0	0	110.9	R90 A91 Q96 K97	R90-D94 WeakPolarHBondContact O-CB 3.46Å; R90-D94 VanDerWaalsContact O-CG 3.27Å; R90-D94 PolarHBondContact O-N 3.48Å; A91-D94 PolarHBondContact O-N 2.91Å; D94-Q96 PolarHBondContact O-N 2.97Å; D94-K97 WeakPolarHBondContact O-CB 3.49Å; D94-K97 PolarHBondContact O-N 2.98Å; D94-K97 VanDerWaalsContact O-N 3.12Å; D94-K97 IonicContact OD1-NZ 2.78Å
95	G	66.8	Low	67.5	Low	66 Å²	66	105.6 Å²	105.6	68%	0.68	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-6.9	171.5	0	0	0	0	0	115.6	A91	A91-G95 PolarHBondContact O-N 3.06Å
96	Q	61.4	Low	65	Low	78 Å²	78	108.1 Å²	108.1	36%	0.364	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	-4.4	171.9	-77.7	179.2	19.6	0	0	113.8	D43 T92 R93 D94 K117	D43-Q96 PolarHBondContact OD1-NE2 3.11Å; D43-Q96 PolarHBondContact OD2-NE2 3.23Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.75Å; R93-Q96 PolarHBondContact O-N 2.94Å; D94-Q96 PolarHBondContact O-N 2.97Å; Q96-K117 PolarHBondContact O-NZ 3.24Å
97	K	61.4	Low	62.5	Low	137 Å²	137	107.7 Å²	107.7	60%	0.596	59%	0.589	S	S	*	*	S	Bend	trans	-66.3	138.4	161.6	-66.4	179.9	-177.5	170.1	0	106.5	D94 E99	D94-K97 WeakPolarHBondContact O-CB 3.49Å; D94-K97 PolarHBondContact O-N 2.98Å; D94-K97 VanDerWaalsContact O-N 3.12Å; D94-K97 IonicContact OD1-NZ 2.78Å; K97-E99 PolarHBondContact O-N 3.3Å
98	P	53.2	Low	60	Low	87 Å²	87	116.5 Å²	116.5	57%	0.565	62%	0.617	S	S	*	*			trans	-70.5	75.8	-179.1	31.2	-33.9	0	0	0	108.2	I100	P98-I100 PolarHBondContact O-N 3.34Å
99	E	51	Low	57.9	Low	162 Å²	162	120.5 Å²	120.5	76%	0.757	63%	0.628	S	S	*	*			trans	-68.3	123.4	160.5	-162	167.4	-169.2	0	0	105.6	K97 V101	K97-E99 PolarHBondContact O-N 3.3Å; E99-V101 PolarHBondContact O-N 3.49Å; E99-V101 VanDerWaalsContact O-N 3.07Å
100	I	49.4	Very low	55.9	Low	148 Å²	148	117.2 Å²	117.2	76%	0.759	63%	0.631	S	S	*	*			trans	-47.7	117.2	176.9	-66.6	157.6	0	0	0	106.4	P98 S102	P98-I100 PolarHBondContact O-N 3.34Å; I100-S102 PolarHBondContact O-N 3Å
101	V	51.5	Low	54.1	Low	91 Å²	91	121.2 Å²	121.2	55%	0.552	65%	0.652	S	S	*	*			trans	-66.7	89.9	172.3	173.8	0	0	0	0	105.7	E99 P103	E99-V101 PolarHBondContact O-N 3.49Å; E99-V101 VanDerWaalsContact O-N 3.07Å; V101-P103 WeakPolarHBondContact O-CD 3.27Å
102	S	41.6	Very low	53.1	Low	77 Å²	77	124.3 Å²	124.3	54%	0.538	66%	0.66	S	S	.	*			trans	-61.1	121.5	160	-78.9	0	0	0	0	106.4	I100 T104	I100-S102 PolarHBondContact O-N 3Å; S102-T104 PolarHBondContact O-N 2.89Å
103	P	45.2	Very low	52.8	Low	119 Å²	119	132.9 Å²	132.9	77%	0.773	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	27.1	-175.2	31.7	-35	0	0	0	112.8	V101	V101-P103 WeakPolarHBondContact O-CD 3.27Å
104	T	44.3	Very low	52.7	Low	102 Å²	102	130.7 Å²	130.7	63%	0.626	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-7.7	-160.6	55.4	0	0	0	0	115.6	S102 S106	S102-T104 PolarHBondContact O-N 2.89Å; T104-S106 PolarHBondContact O-N 3.33Å
105	D	42.6	Very low	52.9	Low	151 Å²	151	129.3 Å²	129.3	81%	0.807	68%	0.679	S	S	*	*			trans	-96.6	73.3	173.4	-79.4	-11.2	0	0	0	111.7	S107	D105-S107 PolarHBondContact O-N 3.12Å
106	S	38.1	Very low	53.7	Low	120 Å²	120	128.2 Å²	128.2	84%	0.839	66%	0.661	S	S	*	*			trans	-68.9	57.1	168	56.5	0	0	0	0	112.5	T104	T104-S106 PolarHBondContact O-N 3.33Å
107	S	37.6	Very low	54.8	Low	87 Å²	87	130 Å²	130	61%	0.608	67%	0.668	S	S	*	*	S	Bend	trans	-136.5	97.7	172.3	69.4	0	0	0	0	113.6	D105 R109	D105-S107 PolarHBondContact O-N 3.12Å; S107-R109 PolarHBondContact O-N 3.03Å; S107-R109 VanDerWaalsContact O-N 3.14Å
108	R	38.6	Very low	55.9	Low	260 Å²	260	125.3 Å²	125.3	98%	0.981	65%	0.648	S	S	*	*	S	Bend	trans	55.4	35.4	148.6	-74.1	-173.9	175.9	-161.8	0.3	119.4
109	R	44.4	Very low	57.5	Low	200 Å²	200	123.2 Å²	123.2	76%	0.755	63%	0.633	S	S	*	*			trans	-116.9	135	162.6	-67.8	-164.1	-167.7	-142.5	5.4	111.7	S107 F111	S107-R109 PolarHBondContact O-N 3.03Å; S107-R109 VanDerWaalsContact O-N 3.14Å; R109-F111 PolarHBondContact O-N 2.86Å
110	P	43.2	Very low	59.4	Low	117 Å²	117	116.3 Å²	116.3	76%	0.76	60%	0.602	S	S	*	*			trans	-64.1	112.4	-177.8	27.3	-32.2	0	0	0	108.2	N112	P110-N112 PolarHBondContact O-N 2.74Å
111	F	47.2	Very low	61.4	Low	205 Å²	205	113.7 Å²	113.7	90%	0.899	59%	0.587	S	S	*	*			trans	10.9	84	173.6	-62.4	-81.8	0	0	0	114.1	R109 R113	R109-F111 PolarHBondContact O-N 2.86Å; F111-R113 PolarHBondContact O-N 3.01Å
112	N	63.7	Low	63.2	Low	129 Å²	129	113.2 Å²	113.2	69%	0.69	58%	0.581	S	S	*	*			trans	-56.3	114.9	174.3	-81.9	-18.2	0	0	0	107.9	P110 L114	P110-N112 PolarHBondContact O-N 2.74Å; N112-L114 PolarHBondContact O-N 3.27Å
113	R	71.5	Confident	65.6	Low	246 Å²	246	112.4 Å²	112.4	93%	0.928	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.7	178.2	-70.1	-178.8	173.4	179.4	-2.3	108.9	F111	F111-R113 PolarHBondContact O-N 3.01Å
114	L	77.1	Confident	67.7	Low	87 Å²	87	115.3 Å²	115.3	46%	0.455	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-53.6	145.3	173.3	-68.2	175.3	0	0	0	110.1	N112 Q118 V119 L122	N112-L114 PolarHBondContact O-N 3.27Å; L114-Q118 HydrophobicContact CB-CB 4.35Å; L114-V119 HydrophobicContact CB-CG2 3.62Å; L114-V119 HydrophobicContact CD1-CG2 4.34Å; L114-L122 HydrophobicContact CD1-CD1 3.89Å
115	S	80.6	Confident	70	Confident	47 Å²	47	118.1 Å²	118.1	33%	0.329	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-61.4	146.8	173.8	71.9	0	0	0	0	109.9	K117 Q118 V119	S115-K117 PolarHBondContact O-N 3.16Å; S115-Q118 WeakPolarHBondContact O-CB 3.44Å; S115-Q118 PolarHBondContact O-N 3.34Å; S115-Q118 VanDerWaalsContact OG-CG 3.25Å; S115-Q118 WeakPolarHBondContact OG-CG 3.16Å; S115-Q118 PolarHBondContact OG-N 3.46Å; S115-Q118 PolarHBondContact OG-OE1 3.47Å; S115-V119 PolarHBondContact O-N 3.01Å
116	S	84.8	Confident	72.3	Confident	43 Å²	43	118.6 Å²	118.6	30%	0.301	56%	0.56	S	S	.	*	H	α-helix	trans	-54	-29.8	177.1	57	0	0	0	0	113.6	V38 G40 T120	V38-S116 WeakPolarHBondContact CG2-O 3.48Å; G40-S116 WeakPolarHBondContact CA-OG 3.39Å; S116-T120 VanDerWaalsContact O-CB 3.24Å; S116-T120 WeakPolarHBondContact O-CB 3.1Å; S116-T120 PolarHBondContact O-N 3.45Å; S116-T120 PolarHBondContact O-OG1 3.43Å
117	K	83.5	Confident	74.8	Confident	116 Å²	116	116.5 Å²	116.5	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-49.3	174.3	-64.4	-178.5	-175.2	170.6	0	111.3	Q96 S115 V119 T120 E121	Q96-K117 PolarHBondContact O-NZ 3.24Å; S115-K117 PolarHBondContact O-N 3.16Å; K117-V119 PolarHBondContact O-N 3.42Å; K117-T120 PolarHBondContact O-N 3.38Å; K117-E121 WeakPolarHBondContact O-CB 3.15Å; K117-E121 PolarHBondContact O-N 3.28Å
118	Q	84.5	Confident	76.8	Confident	38 Å²	38	115.9 Å²	115.9	18%	0.178	53%	0.531	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.2	-73.2	160.1	-27	0	0	111.6	L114 S115 T120 E121 L122	L114-Q118 HydrophobicContact CB-CB 4.35Å; S115-Q118 WeakPolarHBondContact O-CB 3.44Å; S115-Q118 PolarHBondContact O-N 3.34Å; S115-Q118 VanDerWaalsContact OG-CG 3.25Å; S115-Q118 WeakPolarHBondContact OG-CG 3.16Å; S115-Q118 PolarHBondContact OG-N 3.46Å; S115-Q118 PolarHBondContact OG-OE1 3.47Å; Q118-T120 VanDerWaalsContact C-N 3.34Å; Q118-T120 PolarHBondContact O-N 3.42Å; Q118-E121 PolarHBondContact O-N 3.46Å; Q118-L122 WeakPolarHBondContact O-CG 3.1Å; Q118-L122 PolarHBondContact O-N 3.19Å
119	V	88	Confident	78.7	Confident	43 Å²	43	112.9 Å²	112.9	26%	0.261	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.6	177.7	0	0	0	0	110.7	V38 L114 S115 K117 E121 L122 L123	V38-V119 HydrophobicContact CG1-CG1 4.02Å; V38-V119 HydrophobicContact CG2-CB 3.77Å; V38-V119 HydrophobicContact CG2-CG1 3.68Å; L114-V119 HydrophobicContact CB-CG2 3.62Å; L114-V119 HydrophobicContact CD1-CG2 4.34Å; S115-V119 PolarHBondContact O-N 3.01Å; K117-V119 PolarHBondContact O-N 3.42Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.02Å; V119-L122 PolarHBondContact O-N 3.3Å; V119-L123 HydrophobicContact CG1-CD1 3.88Å; V119-L123 HydrophobicContact CG1-CG 4.25Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 VanDerWaalsContact O-CG 3.27Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.2Å
120	T	90.9	Very high	80.4	Confident	17 Å²	17	108.5 Å²	108.5	10%	0.104	53%	0.534	C	S	.	.	H	α-helix	trans	-64.4	-38.2	177.5	-62.7	0	0	0	0	112	V38 S116 K117 Q118 L123 R124	V38-T120 WeakPolarHBondContact CG2-OG1 3.38Å; V38-T120 PolarHBondContact N-OG1 3.41Å; V38-T120 VanDerWaalsContact N-OG1 3.12Å; V38-T120 PolarHBondContact O-OG1 3.21Å; S116-T120 VanDerWaalsContact O-CB 3.24Å; S116-T120 WeakPolarHBondContact O-CB 3.1Å; S116-T120 PolarHBondContact O-N 3.45Å; S116-T120 PolarHBondContact O-OG1 3.43Å; K117-T120 PolarHBondContact O-N 3.38Å; Q118-T120 VanDerWaalsContact C-N 3.34Å; Q118-T120 PolarHBondContact O-N 3.42Å; T120-L123 PolarHBondContact O-N 3.05Å; T120-R124 WeakPolarHBondContact O-CB 3.43Å; T120-R124 VanDerWaalsContact O-CG 3.25Å; T120-R124 WeakPolarHBondContact O-CG 3.2Å; T120-R124 PolarHBondContact O-N 3.45Å
121	E	90.2	Very high	82.4	Confident	92 Å²	92	108.1 Å²	108.1	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.7	-171.8	-178.8	167	0	0	111.4	K117 Q118 V119 R124 R125	K117-E121 WeakPolarHBondContact O-CB 3.15Å; K117-E121 PolarHBondContact O-N 3.28Å; Q118-E121 PolarHBondContact O-N 3.46Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.02Å; E121-R124 PolarHBondContact O-N 3.5Å; E121-R125 WeakPolarHBondContact O-CG 3.29Å; E121-R125 PolarHBondContact O-N 3.12Å; E121-R125 IonicContact OE1-CZ 3.64Å; E121-R125 IonicContact OE1-NE 3.83Å; E121-R125 IonicContact OE1-NH2 3.72Å; E121-R125 PolarHBondContact OE1-NH2 2.9Å
122	L	90.4	Very high	84.4	Confident	82 Å²	82	102.7 Å²	102.7	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175.9	-72.7	169	0	0	0	112.2	L114 Q118 V119 R124 R125 F126	L114-L122 HydrophobicContact CD1-CD1 3.89Å; Q118-L122 WeakPolarHBondContact O-CG 3.1Å; Q118-L122 PolarHBondContact O-N 3.19Å; V119-L122 PolarHBondContact O-N 3.3Å; L122-R124 VanDerWaalsContact C-N 3.25Å; L122-R124 PolarHBondContact O-N 3.4Å; L122-R125 WeakPolarHBondContact O-CB 3.15Å; L122-R125 PolarHBondContact O-N 3.02Å; L122-R125 VanDerWaalsContact O-N 3.11Å; L122-F126 PolarHBondContact O-N 3.22Å
123	L	91.4	Very high	85.6	Confident	60 Å²	60	101.1 Å²	101.1	31%	0.314	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-27	178.3	-69.9	174.9	0	0	0	113	V38 V119 T120 F126	V38-L123 HydrophobicContact CG1-CD1 3.9Å; V119-L123 HydrophobicContact CG1-CD1 3.88Å; V119-L123 HydrophobicContact CG1-CG 4.25Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 VanDerWaalsContact O-CG 3.27Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.2Å; T120-L123 PolarHBondContact O-N 3.05Å; L123-F126 CarbonylContact O-C 3.3Å; L123-F126 VanDerWaalsContact O-C 3.3Å
124	R	90.1	Very high	86.5	Confident	179 Å²	179	92.1 Å²	92.1	68%	0.675	46%	0.463	S	S	*	.	H	α-helix	trans	-74.1	-28.7	173.4	-77.4	174.1	178	-179.7	-1.3	112.9	T120 E121 L122	T120-R124 WeakPolarHBondContact O-CB 3.43Å; T120-R124 VanDerWaalsContact O-CG 3.25Å; T120-R124 WeakPolarHBondContact O-CG 3.2Å; T120-R124 PolarHBondContact O-N 3.45Å; E121-R124 PolarHBondContact O-N 3.5Å; L122-R124 VanDerWaalsContact C-N 3.25Å; L122-R124 PolarHBondContact O-N 3.4Å
125	R	91.2	Very high	87.1	Confident	161 Å²	161	92.4 Å²	92.4	61%	0.608	46%	0.464	S	S	*	.	H	α-helix	trans	-73.8	-31.6	175.6	-66.9	177.3	-172	-162.6	3.9	111.9	E121 L122	E121-R125 WeakPolarHBondContact O-CG 3.29Å; E121-R125 PolarHBondContact O-N 3.12Å; E121-R125 IonicContact OE1-CZ 3.64Å; E121-R125 IonicContact OE1-NE 3.83Å; E121-R125 IonicContact OE1-NH2 3.72Å; E121-R125 PolarHBondContact OE1-NH2 2.9Å; L122-R125 WeakPolarHBondContact O-CB 3.15Å; L122-R125 PolarHBondContact O-N 3.02Å; L122-R125 VanDerWaalsContact O-N 3.11Å
126	F	92.1	Very high	87.5	Confident	161 Å²	161	95.6 Å²	95.6	71%	0.706	47%	0.473	S	S	*	.	S	Bend	trans	-125.3	75.8	178.8	-56.8	-78.7	0	0	0	110.2	L122 L123	L122-F126 PolarHBondContact O-N 3.22Å; L123-F126 CarbonylContact O-C 3.3Å; L123-F126 VanDerWaalsContact O-C 3.3Å
127	P	88.9	Confident	87.8	Confident	77 Å²	77	99.7 Å²	99.7	50%	0.5	49%	0.487	S	S	.	.			trans	-68.5	152.1	-178.1	29.7	-34.8	0	0	0	111.2	N36	N36-P127 WeakPolarHBondContact ND2-CB 3.47Å; N36-P127 WeakPolarHBondContact OD1-CA 3.36Å
128	E	81.2	Confident	88.1	Confident	74 Å²	74	98.3 Å²	98.3	35%	0.346	49%	0.485	S	S	.	.			trans	-62.2	141.1	166.6	-67.8	-154.5	148.8	0	0	110.7	V33 L34 N36	V33-E128 WeakPolarHBondContact CG1-OE2 3.4Å; L34-E128 VanDerWaalsContact CA-OE2 3.31Å; L34-E128 WeakPolarHBondContact CA-OE2 3.35Å; L34-E128 HydrophobicContact CB-CG 4.31Å; L34-E128 WeakPolarHBondContact CB-OE1 3.49Å; L34-E128 WeakPolarHBondContact CB-OE2 3.21Å; L34-E128 WeakPolarHBondContact CD1-OE1 3.5Å; L34-E128 WeakPolarHBondContact CG-OE1 3.46Å; L34-E128 PolarHBondContact N-OE2 3.31Å; N36-E128 PolarHBondContact OD1-N 3.37Å
129	P	78.4	Confident	88.4	Confident	196 Å²	196	103.8 Å²	103.8	100%	1.273	51%	0.513	S	S	*	.			trans	-64.5	0	-179.9	27.9	-34.9	0	0	0	113.6

Retrieved 129 of 129 residues in 107.2 ms (Link to these results)

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