A0A5K4F5B1_SCHMA Loading...

Immediate early response 3-interacting protein 1

Regulator of endoplasmic reticulum secretion that acts as a key determinant of brain size. Required for secretion of extracellular matrix proteins. Required for correct brain development by depositing sufficient extracellular matrix proteins for tissue integrity and the proliferation of neural progenitors. Acts as a regulator of the unfolded protein response (UPR).

AlphaFold DB , UniProt , Accession A0A5K4F5B1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 aa.

						>A0A5K4F5B1_SCHMA|A0A5K4F5B1
MALGLFSLLESLVLMLNAICILHEKRFLSRIGCGRTDNEYSPPTTVKYQFLTFIHSIRTVMRVPLIGVNIAMIVFKLVFG
					

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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	51.1	Low	74.4	Confident	234 Å²	234	97.1 Å²	97.1	100%	1.153	56%	0.556	S	S	*	*				0	12.1	0	-68	-172.8	168.9	0	0	114
2	A	59.4	Low	75	Confident	81 Å²	81	97.3 Å²	97.3	67%	0.669	55%	0.553	S	S	*	*			trans	-76.4	-29.1	178.6	0	0	0	0	0	113.8	G4	A2-G4 VanDerWaalsContact C-N 3.28Å; A2-G4 PolarHBondContact O-N 3.31Å
3	L	71.8	Confident	75.1	Confident	146 Å²	146	91.8 Å²	91.8	76%	0.764	52%	0.522	S	S	*	.	H	α-helix	trans	-66.4	-27.1	-177.7	-56.2	178.4	0	0	0	113.2	F6 S7	L3-F6 PolarHBondContact O-N 3.09Å; L3-S7 PolarHBondContact O-N 2.79Å; L3-S7 PolarHBondContact O-OG 2.61Å; L3-S7 VanDerWaalsContact O-OG 3.06Å
4	G	76.9	Confident	75.3	Confident	41 Å²	41	92.3 Å²	92.3	42%	0.423	52%	0.522	S	S	.	.	H	α-helix	trans	-66.7	-40.9	-177.6	0	0	0	0	0	113.5	A2 S7 L8	A2-G4 VanDerWaalsContact C-N 3.28Å; A2-G4 PolarHBondContact O-N 3.31Å; G4-S7 PolarHBondContact O-N 2.74Å; G4-L8 WeakPolarHBondContact O-CB 3.09Å; G4-L8 VanDerWaalsContact O-CG 3.27Å; G4-L8 WeakPolarHBondContact O-CG 3.25Å; G4-L8 PolarHBondContact O-N 3.23Å
5	L	79.5	Confident	75.6	Confident	124 Å²	124	94.1 Å²	94.1	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-66.7	-39.2	178.6	-64.6	177	0	0	0	111.5	L8 L9	L5-L8 PolarHBondContact O-N 3.21Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.37Å
6	F	79	Confident	75.5	Confident	54 Å²	54	93.8 Å²	93.8	24%	0.237	52%	0.523	C	S	.	.	H	α-helix	trans	-65.6	-46.5	175.5	-172.8	-90.6	0	0	0	111.3	L3 L8 L9 E10 F75 K76 F79	L3-F6 PolarHBondContact O-N 3.09Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.48Å; F6-L9 PolarHBondContact O-N 2.74Å; F6-E10 WeakPolarHBondContact O-CB 2.95Å; F6-E10 PolarHBondContact O-N 3.33Å; F6-F75 HydrophobicContact CD2-CD1 4.4Å; F6-F75 HydrophobicContact CE2-CD1 4.2Å; F6-K76 HydrophobicContact CZ-CB 4.35Å; F6-K76 HydrophobicContact CZ-CG 4.44Å; F6-F79 HydrophobicContact CD2-CB 4.26Å; F6-F79 HydrophobicContact CE2-CB 4.15Å
7	S	80.6	Confident	75.4	Confident	70 Å²	70	91.3 Å²	91.3	49%	0.49	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-35.1	175.2	-59.7	0	0	0	0	112.8	L3 G4 S11	L3-S7 PolarHBondContact O-N 2.79Å; L3-S7 PolarHBondContact O-OG 2.61Å; L3-S7 VanDerWaalsContact O-OG 3.06Å; G4-S7 PolarHBondContact O-N 2.74Å; S7-S11 WeakPolarHBondContact O-CB 3.07Å; S7-S11 PolarHBondContact O-N 3.21Å; S7-S11 PolarHBondContact O-OG 3.3Å
8	L	80.7	Confident	75.3	Confident	103 Å²	103	89.1 Å²	89.1	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-47.3	172.9	-76.1	171.1	0	0	0	111.3	G4 L5 F6 E10 S11 L12	G4-L8 WeakPolarHBondContact O-CB 3.09Å; G4-L8 VanDerWaalsContact O-CG 3.27Å; G4-L8 WeakPolarHBondContact O-CG 3.25Å; G4-L8 PolarHBondContact O-N 3.23Å; L5-L8 PolarHBondContact O-N 3.21Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.48Å; L8-E10 PolarHBondContact O-N 2.99Å; L8-S11 WeakPolarHBondContact CA-OG 3.37Å; L8-S11 PolarHBondContact O-N 3.02Å; L8-S11 PolarHBondContact O-OG 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.33Å
9	L	78.1	Confident	75	Confident	86 Å²	86	89.1 Å²	89.1	45%	0.45	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.5	-77.4	167.8	0	0	0	111.7	L5 F6 S11 L12 V13 F75	L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.37Å; F6-L9 PolarHBondContact O-N 2.74Å; L9-S11 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 2.66Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.11Å; L9-F75 HydrophobicContact CD1-CE1 4.03Å; L9-F75 HydrophobicContact CD1-CZ 4.33Å
10	E	80	Confident	74.7	Confident	70 Å²	70	86.5 Å²	86.5	33%	0.327	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-46.6	174.5	175.9	169.4	140.8	0	0	111.3	F6 L8 L12 V13 L14 M72	F6-E10 WeakPolarHBondContact O-CB 2.95Å; F6-E10 PolarHBondContact O-N 3.33Å; L8-E10 PolarHBondContact O-N 2.99Å; E10-L12 VanDerWaalsContact C-N 3.35Å; E10-L12 PolarHBondContact O-N 2.91Å; E10-V13 PolarHBondContact O-N 3.28Å; E10-L14 HydrophobicContact CG-CD1 4.15Å; E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.23Å; E10-M72 HydrophobicContact CB-CE 3.91Å; E10-M72 HydrophobicContact CG-CE 3.57Å
11	S	81.8	Confident	74.3	Confident	59 Å²	59	87.1 Å²	87.1	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-37.6	177.9	74.7	0	0	0	0	112.7	S7 L8 L9 L14 M15	S7-S11 WeakPolarHBondContact O-CB 3.07Å; S7-S11 PolarHBondContact O-N 3.21Å; S7-S11 PolarHBondContact O-OG 3.3Å; L8-S11 WeakPolarHBondContact CA-OG 3.37Å; L8-S11 PolarHBondContact O-N 3.02Å; L8-S11 PolarHBondContact O-OG 3.29Å; L9-S11 PolarHBondContact O-N 2.94Å; S11-L14 PolarHBondContact O-N 2.93Å; S11-M15 VanDerWaalsContact O-CB 3.26Å; S11-M15 WeakPolarHBondContact O-CB 3.34Å; S11-M15 PolarHBondContact O-N 3.07Å
12	L	81.2	Confident	75	Confident	99 Å²	99	82 Å²	82	52%	0.518	47%	0.466	S	S	.	.	H	α-helix	trans	-64.1	-41.9	174.8	-79.4	166.9	0	0	0	110.8	L8 L9 E10 M15 L16	L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 2.66Å; E10-L12 VanDerWaalsContact C-N 3.35Å; E10-L12 PolarHBondContact O-N 2.91Å; L12-M15 PolarHBondContact O-N 2.94Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.71Å
13	V	75.7	Confident	74.9	Confident	26 Å²	26	82.3 Å²	82.3	16%	0.158	45%	0.454	C	S	.	.	H	α-helix	trans	-65.1	-46.1	175.3	170	0	0	0	0	111.2	L9 E10 M15 L16 N17 V68 M72	L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.11Å; E10-V13 PolarHBondContact O-N 3.28Å; V13-M15 VanDerWaalsContact C-N 3.26Å; V13-M15 PolarHBondContact O-N 3.14Å; V13-L16 PolarHBondContact O-N 2.6Å; V13-N17 WeakPolarHBondContact O-CB 3.13Å; V13-N17 PolarHBondContact O-N 2.94Å; V13-V68 HydrophobicContact CB-CG1 4.34Å; V13-V68 HydrophobicContact CG1-CG1 3.78Å; V13-V68 HydrophobicContact CG2-CG1 3.99Å; V13-M72 HydrophobicContact CB-CG 4.29Å; V13-M72 HydrophobicContact CG1-CB 4.12Å; V13-M72 HydrophobicContact CG1-CG 3.89Å; V13-M72 HydrophobicContact CG2-CG 4.24Å
14	L	78.9	Confident	74.1	Confident	99 Å²	99	76.8 Å²	76.8	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-37	175.2	-71	174.3	0	0	0	111.5	E10 S11 N17 A18	E10-L14 HydrophobicContact CG-CD1 4.15Å; E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 2.93Å; L14-N17 PolarHBondContact O-N 3.26Å; L14-A18 WeakPolarHBondContact O-CB 3.06Å; L14-A18 PolarHBondContact O-N 3.41Å
15	M	78.7	Confident	73	Confident	120 Å²	120	82 Å²	82	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-66.4	-43.3	174.9	-168.3	176.7	-175.8	0	0	111.4	S11 L12 V13 N17 A18 I19	S11-M15 VanDerWaalsContact O-CB 3.26Å; S11-M15 WeakPolarHBondContact O-CB 3.34Å; S11-M15 PolarHBondContact O-N 3.07Å; L12-M15 PolarHBondContact O-N 2.94Å; V13-M15 VanDerWaalsContact C-N 3.26Å; V13-M15 PolarHBondContact O-N 3.14Å; M15-N17 VanDerWaalsContact C-N 3.31Å; M15-N17 PolarHBondContact O-N 3.14Å; M15-A18 PolarHBondContact O-N 3.42Å; M15-I19 HydrophobicContact CG-CD1 4.04Å; M15-I19 WeakPolarHBondContact O-CB 3.49Å; M15-I19 WeakPolarHBondContact O-CD1 3.49Å; M15-I19 WeakPolarHBondContact O-CG1 3.2Å; M15-I19 PolarHBondContact O-N 3.02Å
16	L	74.2	Confident	72.1	Confident	88 Å²	88	86.4 Å²	86.4	46%	0.461	44%	0.443	S	S	.	.	H	α-helix	trans	-62	-39.1	173.4	-71.2	172.6	0	0	0	111.7	L12 V13 I19 C20 V68	L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.71Å; V13-L16 PolarHBondContact O-N 2.6Å; L16-I19 PolarHBondContact O-N 3.41Å; L16-C20 WeakPolarHBondContact O-CB 3.4Å; L16-C20 PolarHBondContact O-N 3.26Å; L16-V68 HydrophobicContact CD1-CG1 4.37Å
17	N	74.5	Confident	71	Confident	52 Å²	52	90.5 Å²	90.5	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-45.1	174.6	-169.5	5.5	0	0	0	111.4	V13 L14 M15 I19 C20 I21 L65	V13-N17 WeakPolarHBondContact O-CB 3.13Å; V13-N17 PolarHBondContact O-N 2.94Å; L14-N17 PolarHBondContact O-N 3.26Å; M15-N17 VanDerWaalsContact C-N 3.31Å; M15-N17 PolarHBondContact O-N 3.14Å; N17-I19 VanDerWaalsContact C-N 3.33Å; N17-I19 PolarHBondContact O-N 3.25Å; N17-C20 PolarHBondContact O-N 3Å; N17-I21 WeakPolarHBondContact O-CB 3.5Å; N17-I21 PolarHBondContact O-N 3.3Å; N17-L65 HydrophobicContact CB-CD1 4.32Å
18	A	72.5	Confident	69.7	Low	51 Å²	51	89.5 Å²	89.5	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-40.1	174.8	0	0	0	0	0	112.1	L14 M15 I21 L22	L14-A18 WeakPolarHBondContact O-CB 3.06Å; L14-A18 PolarHBondContact O-N 3.41Å; M15-A18 PolarHBondContact O-N 3.42Å; A18-I21 WeakPolarHBondContact O-CG2 3.01Å; A18-I21 PolarHBondContact O-N 3.28Å; A18-L22 WeakPolarHBondContact O-CA 2.96Å; A18-L22 VanDerWaalsContact O-CB 3.29Å; A18-L22 WeakPolarHBondContact O-CB 3.14Å; A18-L22 PolarHBondContact O-N 2.9Å
19	I	69.5	Low	68.5	Low	89 Å²	89	89.1 Å²	89.1	46%	0.456	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-42.3	175.2	-69.6	161.6	0	0	0	110.4	M15 L16 N17 L22	M15-I19 HydrophobicContact CG-CD1 4.04Å; M15-I19 WeakPolarHBondContact O-CB 3.49Å; M15-I19 WeakPolarHBondContact O-CD1 3.49Å; M15-I19 WeakPolarHBondContact O-CG1 3.2Å; M15-I19 PolarHBondContact O-N 3.02Å; L16-I19 PolarHBondContact O-N 3.41Å; N17-I19 VanDerWaalsContact C-N 3.33Å; N17-I19 PolarHBondContact O-N 3.25Å; I19-L22 PolarHBondContact O-N 3.44Å
20	C	69.2	Low	67.8	Low	37 Å²	37	95.9 Å²	95.9	25%	0.25	48%	0.475	C	S	.	.	H	α-helix	trans	-66.4	-38	177.7	-170.9	0	0	0	0	112.6	L16 N17 L65	L16-C20 WeakPolarHBondContact O-CB 3.4Å; L16-C20 PolarHBondContact O-N 3.26Å; N17-C20 PolarHBondContact O-N 3Å; C20-L65 HydrophobicContact CB-CD1 3.54Å; C20-L65 HydrophobicContact CB-CD2 4.33Å; C20-L65 HydrophobicContact CB-CG 4.43Å
21	I	66.4	Low	66.8	Low	100 Å²	100	97.4 Å²	97.4	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-83.5	-15.1	178.2	-149.8	78.9	0	0	0	112.3	N17 A18 H23	N17-I21 WeakPolarHBondContact O-CB 3.5Å; N17-I21 PolarHBondContact O-N 3.3Å; A18-I21 WeakPolarHBondContact O-CG2 3.01Å; A18-I21 PolarHBondContact O-N 3.28Å; I21-H23 VanDerWaalsContact C-N 3.28Å; I21-H23 WeakPolarHBondContact O-CA 3.48Å; I21-H23 PolarHBondContact O-N 3.35Å; I21-H23 PolarHBondContact O-ND1 2.84Å
22	L	67.2	Low	65.4	Low	127 Å²	127	97.8 Å²	97.8	67%	0.665	50%	0.497	S	S	*	.	S	Bend	trans	-60.7	96	-179.7	-172.8	63.2	0	0	0	108.4	A18 I19 E24	A18-L22 WeakPolarHBondContact O-CA 2.96Å; A18-L22 VanDerWaalsContact O-CB 3.29Å; A18-L22 WeakPolarHBondContact O-CB 3.14Å; A18-L22 PolarHBondContact O-N 2.9Å; I19-L22 PolarHBondContact O-N 3.44Å; L22-E24 PolarHBondContact O-N 2.9Å; L22-E24 VanDerWaalsContact O-N 3.14Å
23	H	56.4	Low	63.9	Low	88 Å²	88	97.5 Å²	97.5	41%	0.407	50%	0.503	S	S	.	.			trans	-73.3	113.6	-165.6	-97.6	72.1	0	0	0	109.2	I21 K25 R26 F27	I21-H23 VanDerWaalsContact C-N 3.28Å; I21-H23 WeakPolarHBondContact O-CA 3.48Å; I21-H23 PolarHBondContact O-N 3.35Å; I21-H23 PolarHBondContact O-ND1 2.84Å; H23-K25 PolarHBondContact O-N 3.29Å; H23-K25 VanDerWaalsContact O-N 3.14Å; H23-R26 WeakPolarHBondContact O-CB 3.36Å; H23-R26 PolarHBondContact O-N 2.8Å; H23-F27 PolarHBondContact O-N 2.82Å
24	E	55.3	Low	62.7	Low	29 Å²	29	98.7 Å²	98.7	14%	0.136	52%	0.52	C	S	.	.	H	α-helix	trans	-55.4	-24.9	162	-127.7	-154.1	157	0	0	111.4	L22 R26 F27 L28 I54 R58	L22-E24 PolarHBondContact O-N 2.9Å; L22-E24 VanDerWaalsContact O-N 3.14Å; E24-R26 PolarHBondContact O-N 3.28Å; E24-R26 VanDerWaalsContact O-N 3.07Å; E24-F27 HydrophobicContact CG-CB 4.47Å; E24-F27 CarbonylContact O-C 3.47Å; E24-F27 PolarHBondContact O-N 3.37Å; E24-L28 HydrophobicContact CB-CD1 3.91Å; E24-L28 HydrophobicContact CB-CG 3.93Å; E24-L28 HydrophobicContact CG-CD1 3.9Å; E24-L28 HydrophobicContact CG-CD2 4.24Å; E24-L28 HydrophobicContact CG-CG 3.54Å; E24-L28 WeakPolarHBondContact O-CA 3.29Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.72Å; E24-L28 WeakPolarHBondContact OE1-CD1 3.37Å; E24-L28 WeakPolarHBondContact OE1-CD2 3.32Å; E24-L28 WeakPolarHBondContact OE1-CG 3.41Å; E24-L28 WeakPolarHBondContact OE2-CD1 3.4Å; E24-I54 HydrophobicContact CG-CG2 4.21Å; E24-I54 WeakPolarHBondContact OE1-CD1 3.46Å; E24-I54 WeakPolarHBondContact OE1-CG2 3.44Å; E24-I54 WeakPolarHBondContact OE2-CG2 3.22Å; E24-R58 IonicContact OE2-NH2 3.81Å
25	K	53.9	Low	61.2	Low	151 Å²	151	104.5 Å²	104.5	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-54.6	-33.7	172.6	-71.7	-170.1	178.3	-177.9	0	112	H23 S29	H23-K25 PolarHBondContact O-N 3.29Å; H23-K25 VanDerWaalsContact O-N 3.14Å; K25-S29 WeakPolarHBondContact O-CB 3.24Å; K25-S29 PolarHBondContact O-N 2.95Å
26	R	59.8	Low	59.9	Low	217 Å²	217	103.6 Å²	103.6	82%	0.819	54%	0.536	S	S	*	.	H	α-helix	trans	-80.3	-37.2	172.3	-167.2	179.6	-173.1	-156.9	2.3	112.2	H23 E24 R30	H23-R26 WeakPolarHBondContact O-CB 3.36Å; H23-R26 PolarHBondContact O-N 2.8Å; E24-R26 PolarHBondContact O-N 3.28Å; E24-R26 VanDerWaalsContact O-N 3.07Å; R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 2.97Å
27	F	56.1	Low	58.8	Low	139 Å²	139	105.1 Å²	105.1	61%	0.61	55%	0.545	S	S	*	.	H	α-helix	trans	-77.3	-49.5	-178.5	-131.2	-88.5	0	0	0	113.4	H23 E24 R30 I31	H23-F27 PolarHBondContact O-N 2.82Å; E24-F27 HydrophobicContact CG-CB 4.47Å; E24-F27 CarbonylContact O-C 3.47Å; E24-F27 PolarHBondContact O-N 3.37Å; F27-R30 WeakPolarHBondContact O-CB 3.42Å; F27-R30 PolarHBondContact O-N 2.85Å; F27-I31 HydrophobicContact CD1-CD1 4.33Å; F27-I31 PolarHBondContact O-N 3.09Å
28	L	54.2	Low	57.6	Low	49 Å²	49	108 Å²	108	26%	0.257	56%	0.56	S	S	.	*	H	α-helix	trans	-57.8	-45.3	168.4	-71.5	173.8	0	0	0	113.5	E24 R30 I31 G32 L51	E24-L28 HydrophobicContact CB-CD1 3.91Å; E24-L28 HydrophobicContact CB-CG 3.93Å; E24-L28 HydrophobicContact CG-CD1 3.9Å; E24-L28 HydrophobicContact CG-CD2 4.24Å; E24-L28 HydrophobicContact CG-CG 3.54Å; E24-L28 WeakPolarHBondContact O-CA 3.29Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.72Å; E24-L28 WeakPolarHBondContact OE1-CD1 3.37Å; E24-L28 WeakPolarHBondContact OE1-CD2 3.32Å; E24-L28 WeakPolarHBondContact OE1-CG 3.41Å; E24-L28 WeakPolarHBondContact OE2-CD1 3.4Å; L28-R30 PolarHBondContact O-N 3.36Å; L28-I31 CarbonylContact O-C 3.53Å; L28-I31 WeakPolarHBondContact O-CA 3.24Å; L28-I31 PolarHBondContact O-N 2.92Å; L28-G32 PolarHBondContact O-N 3.46Å; L28-L51 HydrophobicContact CD1-CD2 4.32Å; L28-L51 HydrophobicContact CD2-CD2 3.19Å; L28-L51 HydrophobicContact CG-CD2 4.33Å
29	S	55.8	Low	56.8	Low	95 Å²	95	114.8 Å²	114.8	66%	0.664	58%	0.584	S	S	*	*	H	α-helix	trans	-63.8	-28.9	177.9	-176.8	0	0	0	0	111.1	K25	K25-S29 WeakPolarHBondContact O-CB 3.24Å; K25-S29 PolarHBondContact O-N 2.95Å
30	R	61.5	Low	56.2	Low	229 Å²	229	121.5 Å²	121.5	86%	0.864	61%	0.605	S	S	*	*	H	α-helix	trans	-76.8	-31.8	171.2	-166.7	174.6	-175.4	-179.1	1.6	112.2	R26 F27 L28 G32	R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 2.97Å; F27-R30 WeakPolarHBondContact O-CB 3.42Å; F27-R30 PolarHBondContact O-N 2.85Å; L28-R30 PolarHBondContact O-N 3.36Å; R30-G32 PolarHBondContact O-N 3.48Å
31	I	59.2	Low	55.4	Low	102 Å²	102	124.1 Å²	124.1	52%	0.523	62%	0.624	S	S	.	*	H	α-helix	trans	-67.8	-18.7	173.7	-78	169.3	0	0	0	112.3	F27 L28 C33	F27-I31 HydrophobicContact CD1-CD1 4.33Å; F27-I31 PolarHBondContact O-N 3.09Å; L28-I31 CarbonylContact O-C 3.53Å; L28-I31 WeakPolarHBondContact O-CA 3.24Å; L28-I31 PolarHBondContact O-N 2.92Å; I31-C33 WeakPolarHBondContact O-CA 3.19Å; I31-C33 VanDerWaalsContact O-CB 3.25Å; I31-C33 WeakPolarHBondContact O-CB 3.44Å; I31-C33 PolarHBondContact O-N 3.19Å
32	G	52.7	Low	54.8	Low	66 Å²	66	124.8 Å²	124.8	68%	0.68	63%	0.634	S	S	*	*			trans	48.3	8.6	143.1	0	0	0	0	0	120.3	L28 R30	L28-G32 PolarHBondContact O-N 3.46Å; R30-G32 PolarHBondContact O-N 3.48Å
33	C	50	Low	54.2	Low	94 Å²	94	123.7 Å²	123.7	64%	0.635	64%	0.635	S	S	*	*			trans	-148.9	98.9	-163.1	-168.2	0	0	0	0	109.1	I31	I31-C33 WeakPolarHBondContact O-CA 3.19Å; I31-C33 VanDerWaalsContact O-CB 3.25Å; I31-C33 WeakPolarHBondContact O-CB 3.44Å; I31-C33 PolarHBondContact O-N 3.19Å
34	G	50.7	Low	54.4	Low	50 Å²	50	123.6 Å²	123.6	52%	0.515	64%	0.641	S	S	.	*			cis	-157.5	134.4	4.6	0	0	0	0	0	107.9	T36	G34-T36 PolarHBondContact O-N 2.87Å; G34-T36 VanDerWaalsContact O-N 3.09Å
35	R	48.3	Very low	55	Low	222 Å²	222	126.3 Å²	126.3	84%	0.838	66%	0.659	S	S	*	*			trans	-76.9	62.3	146.5	-176.1	143.1	62.1	133.7	0.9	107	D37	R35-D37 WeakPolarHBondContact CG-OD2 3.47Å; R35-D37 PolarHBondContact O-N 3.36Å
36	T	49.5	Very low	55.8	Low	100 Å²	100	123.4 Å²	123.4	61%	0.613	65%	0.654	S	S	*	*			trans	-85.2	87.9	164.5	-145.2	0	0	0	0	103.3	G34 N38	G34-T36 PolarHBondContact O-N 2.87Å; G34-T36 VanDerWaalsContact O-N 3.09Å; T36-N38 HydrophobicContact CG2-CB 4.43Å; T36-N38 PolarHBondContact O-N 3.08Å; T36-N38 PolarHBondContact OG1-ND2 3.39Å
37	D	51	Low	56.3	Low	121 Å²	121	118.2 Å²	118.2	65%	0.647	64%	0.637	S	S	*	*			trans	-67.8	52.6	167.7	-63.5	-41.4	0	0	0	108.4	R35 E39	R35-D37 WeakPolarHBondContact CG-OD2 3.47Å; R35-D37 PolarHBondContact O-N 3.36Å; D37-E39 PolarHBondContact O-N 3.28Å
38	N	51	Low	57	Low	111 Å²	111	119.5 Å²	119.5	59%	0.594	64%	0.639	S	S	*	*			trans	-86.2	101.1	171.3	-74.5	-43.6	0	0	0	106.8	T36 Y40 S41	T36-N38 HydrophobicContact CG2-CB 4.43Å; T36-N38 PolarHBondContact O-N 3.08Å; T36-N38 PolarHBondContact OG1-ND2 3.39Å; N38-Y40 PolarHBondContact O-N 3.34Å; N38-S41 PolarHBondContact O-N 2.98Å
39	E	55.3	Low	58.1	Low	195 Å²	195	123.5 Å²	123.5	91%	0.911	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.9	16	177.5	-110.1	161.2	81.3	0	0	119.1	D37	D37-E39 PolarHBondContact O-N 3.28Å
40	Y	56.3	Low	59.2	Low	229 Å²	229	125 Å²	125	90%	0.898	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.7	29.2	175	-143.6	-104.5	0	0	0	116.3	N38	N38-Y40 PolarHBondContact O-N 3.34Å
41	S	53.7	Low	59.7	Low	93 Å²	93	117.9 Å²	117.9	65%	0.65	63%	0.63	S	S	*	*	S	Bend	trans	-112.2	134.4	168.6	-84.4	0	0	0	0	110.2	N38	N38-S41 PolarHBondContact O-N 2.98Å
42	P	53.2	Low	60.6	Low	114 Å²	114	115.9 Å²	115.9	74%	0.74	62%	0.623	S	S	*	*			trans	-52.6	129.1	-174.6	21.8	-30.9	0	0	0	107.8	T44	P42-T44 PolarHBondContact O-N 3.25Å
43	P	54.1	Low	61.8	Low	103 Å²	103	119 Å²	119	67%	0.669	62%	0.618	S	S	*	*			trans	-54.5	133.5	-169.2	23.1	-32.5	0	0	0	106.8	T45	P43-T45 PolarHBondContact O-N 3.42Å; P43-T45 PolarHBondContact O-OG1 3.27Å
44	T	61.5	Low	63	Low	87 Å²	87	117.4 Å²	117.4	53%	0.534	60%	0.603	S	S	.	*			trans	-68.9	72.4	173.3	51.4	0	0	0	0	108.2	P42 V46 K47 Y48	P42-T44 PolarHBondContact O-N 3.25Å; T44-V46 PolarHBondContact O-N 2.82Å; T44-K47 PolarHBondContact O-N 3.43Å; T44-K47 VanDerWaalsContact O-N 3.11Å; T44-Y48 PolarHBondContact O-N 3.2Å
45	T	67.5	Low	64.2	Low	86 Å²	86	120.6 Å²	120.6	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-59.1	-37	-170.5	-30.7	0	0	0	0	109.9	P43 K47 Y48 Q49	P43-T45 PolarHBondContact O-N 3.42Å; P43-T45 PolarHBondContact O-OG1 3.27Å; T45-K47 PolarHBondContact O-N 2.8Å; T45-Y48 PolarHBondContact O-N 2.86Å; T45-Q49 VanDerWaalsContact O-CB 3.24Å; T45-Q49 WeakPolarHBondContact O-CB 3.5Å; T45-Q49 PolarHBondContact O-N 2.91Å
46	V	70.8	Confident	65.7	Low	90 Å²	90	113 Å²	113	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-44	-179.8	-150.5	0	0	0	0	111.1	T44 Q49 F50	T44-V46 PolarHBondContact O-N 2.82Å; V46-Q49 WeakPolarHBondContact O-CB 3.39Å; V46-Q49 PolarHBondContact O-N 3.28Å; V46-F50 HydrophobicContact CG1-CD2 4.12Å; V46-F50 HydrophobicContact CG1-CE2 3.61Å; V46-F50 HydrophobicContact CG1-CZ 4.5Å; V46-F50 WeakPolarHBondContact O-CD2 3.42Å; V46-F50 PolarHBondContact O-N 3.37Å
47	K	68.7	Low	67.1	Low	108 Å²	108	111.8 Å²	111.8	47%	0.47	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-46.3	178.3	-64.7	-176.7	-178.5	179.6	0	110.9	T44 T45 Q49 F50 L51	T44-K47 PolarHBondContact O-N 3.43Å; T44-K47 VanDerWaalsContact O-N 3.11Å; T45-K47 PolarHBondContact O-N 2.8Å; K47-Q49 VanDerWaalsContact C-N 3.28Å; K47-Q49 PolarHBondContact O-N 3.45Å; K47-F50 PolarHBondContact O-N 3.33Å; K47-L51 WeakPolarHBondContact O-CG 3.23Å; K47-L51 PolarHBondContact O-N 3.36Å
48	Y	72	Confident	67.9	Low	166 Å²	166	110 Å²	110	65%	0.651	56%	0.558	S	S	*	*	H	α-helix	trans	-63.6	-34.9	176.5	-176.7	-96.1	0	0	0	112.6	T44 T45 L51 T52	T44-Y48 PolarHBondContact O-N 3.2Å; T45-Y48 PolarHBondContact O-N 2.86Å; Y48-L51 WeakPolarHBondContact O-CB 3.25Å; Y48-L51 PolarHBondContact O-N 3.42Å; Y48-T52 WeakPolarHBondContact CE1-OG1 3.23Å; Y48-T52 PolarHBondContact O-N 3.44Å; Y48-T52 PolarHBondContact O-OG1 3.42Å
49	Q	76.5	Confident	69	Low	133 Å²	133	108.9 Å²	108.9	62%	0.621	56%	0.555	S	S	*	*	H	α-helix	trans	-66.2	-42.6	175.6	-170	171	23.5	0	0	111.2	T45 V46 K47 T52 F53	T45-Q49 VanDerWaalsContact O-CB 3.24Å; T45-Q49 WeakPolarHBondContact O-CB 3.5Å; T45-Q49 PolarHBondContact O-N 2.91Å; V46-Q49 WeakPolarHBondContact O-CB 3.39Å; V46-Q49 PolarHBondContact O-N 3.28Å; K47-Q49 VanDerWaalsContact C-N 3.28Å; K47-Q49 PolarHBondContact O-N 3.45Å; Q49-T52 PolarHBondContact O-N 3.31Å; Q49-F53 VanDerWaalsContact O-CB 3.22Å; Q49-F53 WeakPolarHBondContact O-CB 3.43Å; Q49-F53 PolarHBondContact O-N 3.39Å
50	F	78.5	Confident	70	Confident	126 Å²	126	104.4 Å²	104.4	55%	0.553	54%	0.541	S	S	*	.	H	α-helix	trans	-60	-44.2	171	-76.2	-66.3	0	0	0	111.7	V46 K47 T52 F53 I54	V46-F50 HydrophobicContact CG1-CD2 4.12Å; V46-F50 HydrophobicContact CG1-CE2 3.61Å; V46-F50 HydrophobicContact CG1-CZ 4.5Å; V46-F50 WeakPolarHBondContact O-CD2 3.42Å; V46-F50 PolarHBondContact O-N 3.37Å; K47-F50 PolarHBondContact O-N 3.33Å; F50-T52 PolarHBondContact O-N 3.46Å; F50-F53 PolarHBondContact O-N 2.86Å; F50-I54 VanDerWaalsContact O-CG1 3.24Å; F50-I54 WeakPolarHBondContact O-CG1 3.37Å; F50-I54 PolarHBondContact O-N 3.04Å
51	L	73.6	Confident	70.7	Confident	79 Å²	79	97 Å²	97	41%	0.414	52%	0.515	S	S	.	.	H	α-helix	trans	-58.9	-46.4	176.4	-65.7	-178.4	0	0	0	112.1	L28 K47 Y48 H55	L28-L51 HydrophobicContact CD1-CD2 4.32Å; L28-L51 HydrophobicContact CD2-CD2 3.19Å; L28-L51 HydrophobicContact CG-CD2 4.33Å; K47-L51 WeakPolarHBondContact O-CG 3.23Å; K47-L51 PolarHBondContact O-N 3.36Å; Y48-L51 WeakPolarHBondContact O-CB 3.25Å; Y48-L51 PolarHBondContact O-N 3.42Å; L51-H55 WeakPolarHBondContact O-CB 2.79Å; L51-H55 PolarHBondContact O-N 3.32Å
52	T	76.6	Confident	71.6	Confident	61 Å²	61	101.7 Å²	101.7	37%	0.374	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-39.9	179.6	-53.5	0	0	0	0	111.1	Y48 Q49 F50 H55 S56	Y48-T52 WeakPolarHBondContact CE1-OG1 3.23Å; Y48-T52 PolarHBondContact O-N 3.44Å; Y48-T52 PolarHBondContact O-OG1 3.42Å; Q49-T52 PolarHBondContact O-N 3.31Å; F50-T52 PolarHBondContact O-N 3.46Å; T52-H55 WeakPolarHBondContact O-CB 3.26Å; T52-H55 PolarHBondContact O-N 3.38Å; T52-S56 PolarHBondContact O-N 2.81Å; T52-S56 PolarHBondContact O-OG 3.3Å
53	F	79.3	Confident	72.7	Confident	131 Å²	131	101.3 Å²	101.3	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-62.3	-46.3	177.4	-178.8	-112.6	0	0	0	112	Q49 F50 H55 S56 I57	Q49-F53 VanDerWaalsContact O-CB 3.22Å; Q49-F53 WeakPolarHBondContact O-CB 3.43Å; Q49-F53 PolarHBondContact O-N 3.39Å; F50-F53 PolarHBondContact O-N 2.86Å; F53-H55 VanDerWaalsContact C-N 3.27Å; F53-H55 PolarHBondContact O-N 2.96Å; F53-S56 PolarHBondContact O-N 2.8Å; F53-I57 HydrophobicContact CD1-CD1 3.59Å; F53-I57 HydrophobicContact CE1-CD1 3.27Å; F53-I57 HydrophobicContact CE1-CG1 4.31Å; F53-I57 HydrophobicContact CE2-CD1 4.3Å; F53-I57 HydrophobicContact CG-CD1 4.24Å; F53-I57 HydrophobicContact CZ-CD1 3.66Å; F53-I57 HydrophobicContact CZ-CG1 4.3Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.44Å
54	I	75.3	Confident	73.6	Confident	61 Å²	61	99.1 Å²	99.1	31%	0.313	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-34.9	177.2	-58.5	162.5	0	0	0	110.7	E24 F50 S56 I57 R58	E24-I54 HydrophobicContact CG-CG2 4.21Å; E24-I54 WeakPolarHBondContact OE1-CD1 3.46Å; E24-I54 WeakPolarHBondContact OE1-CG2 3.44Å; E24-I54 WeakPolarHBondContact OE2-CG2 3.22Å; F50-I54 VanDerWaalsContact O-CG1 3.24Å; F50-I54 WeakPolarHBondContact O-CG1 3.37Å; F50-I54 PolarHBondContact O-N 3.04Å; I54-S56 PolarHBondContact O-N 3.23Å; I54-I57 PolarHBondContact O-N 2.87Å; I54-R58 PolarHBondContact O-N 3.21Å; I54-R58 VanDerWaalsContact O-N 3.09Å
55	H	75.5	Confident	74.1	Confident	117 Å²	117	97 Å²	97	54%	0.542	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-43.8	173.1	-160.9	68.3	0	0	0	112.3	L51 T52 F53 R58 T59	L51-H55 WeakPolarHBondContact O-CB 2.79Å; L51-H55 PolarHBondContact O-N 3.32Å; T52-H55 WeakPolarHBondContact O-CB 3.26Å; T52-H55 PolarHBondContact O-N 3.38Å; F53-H55 VanDerWaalsContact C-N 3.27Å; F53-H55 PolarHBondContact O-N 2.96Å; H55-R58 WeakPolarHBondContact O-CB 3.39Å; H55-R58 PolarHBondContact O-N 3Å; H55-T59 PolarHBondContact O-N 2.89Å
56	S	80.6	Confident	74.4	Confident	63 Å²	63	98.1 Å²	98.1	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-67.8	-39.5	175.7	-63.9	0	0	0	0	113	T52 F53 I54 R58 T59 V60	T52-S56 PolarHBondContact O-N 2.81Å; T52-S56 PolarHBondContact O-OG 3.3Å; F53-S56 PolarHBondContact O-N 2.8Å; I54-S56 PolarHBondContact O-N 3.23Å; S56-R58 PolarHBondContact O-N 2.93Å; S56-T59 PolarHBondContact O-N 3.41Å; S56-T59 PolarHBondContact O-OG1 3.1Å; S56-V60 WeakPolarHBondContact O-CG2 3.3Å; S56-V60 PolarHBondContact O-N 3.24Å
57	I	77.4	Confident	74.6	Confident	73 Å²	73	95.7 Å²	95.7	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-58.4	-36.1	173.9	-69.5	162.8	0	0	0	110.3	F53 I54 V60 M61	F53-I57 HydrophobicContact CD1-CD1 3.59Å; F53-I57 HydrophobicContact CE1-CD1 3.27Å; F53-I57 HydrophobicContact CE1-CG1 4.31Å; F53-I57 HydrophobicContact CE2-CD1 4.3Å; F53-I57 HydrophobicContact CG-CD1 4.24Å; F53-I57 HydrophobicContact CZ-CD1 3.66Å; F53-I57 HydrophobicContact CZ-CG1 4.3Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.44Å; I54-I57 PolarHBondContact O-N 2.87Å; I57-V60 CarbonylContact O-C 3.55Å; I57-V60 WeakPolarHBondContact O-CB 3.47Å; I57-V60 PolarHBondContact O-N 2.97Å; I57-M61 HydrophobicContact CG2-CG 3.94Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 VanDerWaalsContact O-CG 3.23Å; I57-M61 WeakPolarHBondContact O-CG 3.37Å; I57-M61 PolarHBondContact O-N 2.74Å
58	R	68.5	Low	75	Confident	84 Å²	84	92.6 Å²	92.6	32%	0.317	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-44.9	-179.9	-174.6	-166.3	-61.3	-147.7	0.9	113.6	E24 I54 H55 S56 V60 M61 R62	E24-R58 IonicContact OE2-NH2 3.81Å; I54-R58 PolarHBondContact O-N 3.21Å; I54-R58 VanDerWaalsContact O-N 3.09Å; H55-R58 WeakPolarHBondContact O-CB 3.39Å; H55-R58 PolarHBondContact O-N 3Å; S56-R58 PolarHBondContact O-N 2.93Å; R58-V60 PolarHBondContact O-N 3.37Å; R58-M61 PolarHBondContact O-N 3.44Å; R58-M61 VanDerWaalsContact O-N 3.08Å; R58-R62 PolarHBondContact O-N 2.77Å
59	T	73.3	Confident	75.2	Confident	88 Å²	88	88.4 Å²	88.4	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-36.9	177	42.3	0	0	0	0	110.1	H55 S56	H55-T59 PolarHBondContact O-N 2.89Å; S56-T59 PolarHBondContact O-N 3.41Å; S56-T59 PolarHBondContact O-OG1 3.1Å
60	V	77.1	Confident	75.4	Confident	101 Å²	101	86.7 Å²	86.7	61%	0.612	45%	0.453	S	S	*	.	H	α-helix	trans	-64.9	-42.7	171.6	179.2	0	0	0	0	111.8	S56 I57 R58 R62 P64	S56-V60 WeakPolarHBondContact O-CG2 3.3Å; S56-V60 PolarHBondContact O-N 3.24Å; I57-V60 CarbonylContact O-C 3.55Å; I57-V60 WeakPolarHBondContact O-CB 3.47Å; I57-V60 PolarHBondContact O-N 2.97Å; R58-V60 PolarHBondContact O-N 3.37Å; V60-R62 PolarHBondContact O-N 3.35Å; V60-P64 WeakPolarHBondContact O-CD 3.2Å
61	M	71.8	Confident	75.3	Confident	73 Å²	73	83.3 Å²	83.3	36%	0.36	45%	0.448	S	S	.	.	H	α-helix	trans	-72.2	-20.3	-179.1	-70.9	-68.8	-72.5	0	0	114.7	I57 R58 P64 L65	I57-M61 HydrophobicContact CG2-CG 3.94Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 VanDerWaalsContact O-CG 3.23Å; I57-M61 WeakPolarHBondContact O-CG 3.37Å; I57-M61 PolarHBondContact O-N 2.74Å; R58-M61 PolarHBondContact O-N 3.44Å; R58-M61 VanDerWaalsContact O-N 3.08Å; M61-P64 VanDerWaalsContact C-CD 3.42Å; M61-P64 VanDerWaalsContact O-CD 3.25Å; M61-P64 WeakPolarHBondContact O-CD 3.48Å; M61-P64 VanDerWaalsContact O-CG 3.23Å; M61-P64 WeakPolarHBondContact O-CG 3.47Å; M61-L65 PolarHBondContact O-N 2.86Å
62	R	72.8	Confident	75.2	Confident	191 Å²	191	81.5 Å²	81.5	72%	0.721	44%	0.438	S	S	*	.	H	α-helix	trans	-68.6	-36.5	176.1	-161.3	-176.4	-136.9	-157.7	3.5	112.5	R58 V60 L65	R58-R62 PolarHBondContact O-N 2.77Å; V60-R62 PolarHBondContact O-N 3.35Å; R62-L65 WeakPolarHBondContact O-CB 3.47Å; R62-L65 PolarHBondContact O-N 3.49Å
63	V	76.3	Confident	75.3	Confident	106 Å²	106	83.9 Å²	83.9	64%	0.642	45%	0.447	S	S	*	.	H	α-helix	trans	-64	-50.1	178.8	-178.2	0	0	0	0	112.8	L65 I66 G67	V63-L65 PolarHBondContact O-N 3.25Å; V63-I66 PolarHBondContact O-N 3.49Å; V63-G67 PolarHBondContact O-N 3.06Å
64	P	72.2	Confident	75.4	Confident	57 Å²	57	81.5 Å²	81.5	37%	0.37	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-25.8	177	25.9	-33.6	0	0	0	111.9	V60 M61 I66 G67 V68	V60-P64 WeakPolarHBondContact O-CD 3.2Å; M61-P64 VanDerWaalsContact C-CD 3.42Å; M61-P64 VanDerWaalsContact O-CD 3.25Å; M61-P64 WeakPolarHBondContact O-CD 3.48Å; M61-P64 VanDerWaalsContact O-CG 3.23Å; M61-P64 WeakPolarHBondContact O-CG 3.47Å; P64-I66 VanDerWaalsContact C-N 3.3Å; P64-I66 PolarHBondContact O-N 2.84Å; P64-G67 CarbonylContact O-C 3.58Å; P64-G67 PolarHBondContact O-N 3.3Å; P64-G67 VanDerWaalsContact O-N 3.1Å; P64-V68 WeakPolarHBondContact O-CB 3.32Å; P64-V68 VanDerWaalsContact O-CG2 3.29Å; P64-V68 WeakPolarHBondContact O-CG2 3.39Å; P64-V68 PolarHBondContact O-N 3.23Å
65	L	71.1	Confident	75.3	Confident	44 Å²	44	83.1 Å²	83.1	23%	0.23	45%	0.448	C	S	.	.	H	α-helix	trans	-59.7	-42.2	177.1	-162.8	70	0	0	0	112.3	N17 C20 M61 R62 V63 N69	N17-L65 HydrophobicContact CB-CD1 4.32Å; C20-L65 HydrophobicContact CB-CD1 3.54Å; C20-L65 HydrophobicContact CB-CD2 4.33Å; C20-L65 HydrophobicContact CB-CG 4.43Å; M61-L65 PolarHBondContact O-N 2.86Å; R62-L65 WeakPolarHBondContact O-CB 3.47Å; R62-L65 PolarHBondContact O-N 3.49Å; V63-L65 PolarHBondContact O-N 3.25Å; L65-N69 WeakPolarHBondContact O-CB 3.47Å; L65-N69 PolarHBondContact O-N 2.87Å
66	I	73.9	Confident	75.3	Confident	108 Å²	108	83.5 Å²	83.5	55%	0.554	45%	0.449	S	S	*	.	H	α-helix	trans	-63.6	-45.5	174.5	-68.4	156.9	0	0	0	109.6	V63 P64 N69 I70	V63-I66 PolarHBondContact O-N 3.49Å; P64-I66 VanDerWaalsContact C-N 3.3Å; P64-I66 PolarHBondContact O-N 2.84Å; I66-N69 PolarHBondContact O-N 3.46Å; I66-I70 HydrophobicContact CG2-CD1 3.65Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CB 3.46Å; I66-I70 WeakPolarHBondContact O-CD1 3.32Å; I66-I70 WeakPolarHBondContact O-CG1 3.29Å; I66-I70 PolarHBondContact O-N 3.19Å
67	G	76.8	Confident	75	Confident	39 Å²	39	87.1 Å²	87.1	40%	0.402	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-45.5	178.9	0	0	0	0	0	113.5	V63 P64 I70 A71	V63-G67 PolarHBondContact O-N 3.06Å; P64-G67 CarbonylContact O-C 3.58Å; P64-G67 PolarHBondContact O-N 3.3Å; P64-G67 VanDerWaalsContact O-N 3.1Å; G67-I70 PolarHBondContact O-N 2.91Å; G67-A71 WeakPolarHBondContact O-CB 3.46Å; G67-A71 PolarHBondContact O-N 3.47Å
68	V	75.5	Confident	74.8	Confident	43 Å²	43	88.5 Å²	88.5	26%	0.261	47%	0.474	S	S	.	.	H	α-helix	trans	-67.5	-41.1	179.6	174.8	0	0	0	0	111	V13 L16 P64 A71 M72	V13-V68 HydrophobicContact CB-CG1 4.34Å; V13-V68 HydrophobicContact CG1-CG1 3.78Å; V13-V68 HydrophobicContact CG2-CG1 3.99Å; L16-V68 HydrophobicContact CD1-CG1 4.37Å; P64-V68 WeakPolarHBondContact O-CB 3.32Å; P64-V68 VanDerWaalsContact O-CG2 3.29Å; P64-V68 WeakPolarHBondContact O-CG2 3.39Å; P64-V68 PolarHBondContact O-N 3.23Å; V68-A71 PolarHBondContact O-N 3.37Å; V68-M72 WeakPolarHBondContact O-CB 3.36Å; V68-M72 PolarHBondContact O-N 2.84Å
69	N	77.1	Confident	74.9	Confident	78 Å²	78	91.4 Å²	91.4	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-43.3	175	-105.9	12.8	0	0	0	112.1	L65 I66 A71 M72 I73	L65-N69 WeakPolarHBondContact O-CB 3.47Å; L65-N69 PolarHBondContact O-N 2.87Å; I66-N69 PolarHBondContact O-N 3.46Å; N69-A71 VanDerWaalsContact C-N 3.34Å; N69-M72 PolarHBondContact O-N 3.33Å; N69-I73 WeakPolarHBondContact O-CG1 3.45Å; N69-I73 PolarHBondContact O-N 2.85Å
70	I	79.7	Confident	74.1	Confident	97 Å²	97	92.4 Å²	92.4	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-46.3	175.7	-68.5	166.2	0	0	0	109.9	I66 G67 M72 I73 V74	I66-I70 HydrophobicContact CG2-CD1 3.65Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CB 3.46Å; I66-I70 WeakPolarHBondContact O-CD1 3.32Å; I66-I70 WeakPolarHBondContact O-CG1 3.29Å; I66-I70 PolarHBondContact O-N 3.19Å; G67-I70 PolarHBondContact O-N 2.91Å; I70-M72 PolarHBondContact O-N 3.39Å; I70-I73 PolarHBondContact O-N 2.96Å; I70-V74 HydrophobicContact CG2-CG2 4.45Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 3.43Å
71	A	78.2	Confident	74	Confident	55 Å²	55	92 Å²	92	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-57.7	-39.6	176.6	0	0	0	0	0	111.7	G67 V68 N69 V74 F75	G67-A71 WeakPolarHBondContact O-CB 3.46Å; G67-A71 PolarHBondContact O-N 3.47Å; V68-A71 PolarHBondContact O-N 3.37Å; N69-A71 VanDerWaalsContact C-N 3.34Å; A71-V74 PolarHBondContact O-N 3.31Å; A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.9Å
72	M	71.3	Confident	74.1	Confident	41 Å²	41	92.9 Å²	92.9	20%	0.202	52%	0.52	C	S	.	.	H	α-helix	trans	-66.8	-41.6	177.6	-157.2	-82.8	179.5	0	0	112.3	E10 V13 V68 N69 I70 F75 K76	E10-M72 HydrophobicContact CB-CE 3.91Å; E10-M72 HydrophobicContact CG-CE 3.57Å; V13-M72 HydrophobicContact CB-CG 4.29Å; V13-M72 HydrophobicContact CG1-CB 4.12Å; V13-M72 HydrophobicContact CG1-CG 3.89Å; V13-M72 HydrophobicContact CG2-CG 4.24Å; V68-M72 WeakPolarHBondContact O-CB 3.36Å; V68-M72 PolarHBondContact O-N 2.84Å; N69-M72 PolarHBondContact O-N 3.33Å; I70-M72 PolarHBondContact O-N 3.39Å; M72-F75 PolarHBondContact O-N 3.31Å; M72-K76 VanDerWaalsContact O-CB 3.29Å; M72-K76 WeakPolarHBondContact O-CB 3.48Å; M72-K76 PolarHBondContact O-N 2.99Å
73	I	78.1	Confident	74.2	Confident	111 Å²	111	87.5 Å²	87.5	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-46.6	173.9	-67.1	165.5	0	0	0	110.4	N69 I70 K76 L77	N69-I73 WeakPolarHBondContact O-CG1 3.45Å; N69-I73 PolarHBondContact O-N 2.85Å; I70-I73 PolarHBondContact O-N 2.96Å; I73-K76 PolarHBondContact O-N 3.19Å; I73-L77 VanDerWaalsContact O-CB 3.32Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 PolarHBondContact O-N 3.45Å
74	V	80.2	Confident	74.1	Confident	81 Å²	81	86.4 Å²	86.4	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-45.4	177.5	174.6	0	0	0	0	110.6	I70 A71 K76 L77 V78	I70-V74 HydrophobicContact CG2-CG2 4.45Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 3.43Å; A71-V74 PolarHBondContact O-N 3.31Å; V74-K76 PolarHBondContact O-N 3.36Å; V74-L77 PolarHBondContact O-N 2.97Å; V74-V78 HydrophobicContact CG1-CG2 4.31Å; V74-V78 WeakPolarHBondContact O-CB 3.22Å; V74-V78 VanDerWaalsContact O-CG2 3.28Å; V74-V78 WeakPolarHBondContact O-CG2 3.4Å; V74-V78 PolarHBondContact O-N 2.94Å
75	F	75.1	Confident	74.2	Confident	95 Å²	95	88.3 Å²	88.3	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-43.7	178.5	-130	-89.4	0	0	0	111.8	F6 L9 A71 M72 L77 V78 F79	F6-F75 HydrophobicContact CD2-CD1 4.4Å; F6-F75 HydrophobicContact CE2-CD1 4.2Å; L9-F75 HydrophobicContact CD1-CE1 4.03Å; L9-F75 HydrophobicContact CD1-CZ 4.33Å; A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.9Å; M72-F75 PolarHBondContact O-N 3.31Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 3.38Å; F75-V78 PolarHBondContact O-N 2.89Å; F75-F79 AromaticContact CD1-CD2 3.64Å; F75-F79 HydrophobicContact CD1-CD2 3.64Å; F75-F79 HydrophobicContact CD1-CE2 4.17Å; F75-F79 HydrophobicContact CD1-CG 4.4Å; F75-F79 AromaticContact CE1-CD2 3.47Å; F75-F79 HydrophobicContact CE1-CD2 3.47Å; F75-F79 VanDerWaalsContact CE1-CD2 3.47Å; F75-F79 AromaticContact CE1-CE2 3.53Å; F75-F79 HydrophobicContact CE1-CE2 3.53Å; F75-F79 HydrophobicContact CE1-CG 4.33Å; F75-F79 HydrophobicContact CE1-CZ 4.44Å; F75-F79 HydrophobicContact CG-CD2 4.48Å; F75-F79 HydrophobicContact CZ-CD2 4.2Å; F75-F79 AromaticContact CZ-CE2 3.87Å; F75-F79 HydrophobicContact CZ-CE2 3.87Å; F75-F79 WeakPolarHBondContact O-CB 3.28Å; F75-F79 PolarHBondContact O-N 3.35Å
76	K	73.7	Confident	74.4	Confident	126 Å²	126	91.2 Å²	91.2	55%	0.548	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-32.2	177.1	-172.2	174.5	-178.6	162.6	0	112.5	F6 M72 I73 V74 G80	F6-K76 HydrophobicContact CZ-CB 4.35Å; F6-K76 HydrophobicContact CZ-CG 4.44Å; M72-K76 VanDerWaalsContact O-CB 3.29Å; M72-K76 WeakPolarHBondContact O-CB 3.48Å; M72-K76 PolarHBondContact O-N 2.99Å; I73-K76 PolarHBondContact O-N 3.19Å; V74-K76 PolarHBondContact O-N 3.36Å; K76-G80 VanDerWaalsContact O-CA 3.22Å; K76-G80 WeakPolarHBondContact O-CA 3.49Å; K76-G80 PolarHBondContact O-N 2.95Å
77	L	75.3	Confident	74.4	Confident	138 Å²	138	90 Å²	90	72%	0.723	53%	0.525	S	S	*	.	H	α-helix	trans	-77.1	-29.4	177	-165.5	114.4	0	0	0	112.7	I73 V74 F75	I73-L77 VanDerWaalsContact O-CB 3.32Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 PolarHBondContact O-N 3.45Å; V74-L77 PolarHBondContact O-N 2.97Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 3.38Å
78	V	73.9	Confident	74.2	Confident	103 Å²	103	93.9 Å²	93.9	62%	0.624	54%	0.535	S	S	*	.	H	α-helix	trans	-85.6	-39	179.5	172.8	0	0	0	0	112	V74 F75	V74-V78 HydrophobicContact CG1-CG2 4.31Å; V74-V78 WeakPolarHBondContact O-CB 3.22Å; V74-V78 VanDerWaalsContact O-CG2 3.28Å; V74-V78 WeakPolarHBondContact O-CG2 3.4Å; V74-V78 PolarHBondContact O-N 2.94Å; F75-V78 PolarHBondContact O-N 2.89Å
79	F	70.6	Confident	74.1	Confident	145 Å²	145	98.2 Å²	98.2	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-100.8	-14.4	-177.4	-85.9	-85.7	0	0	0	114.9	F6 F75	F6-F79 HydrophobicContact CD2-CB 4.26Å; F6-F79 HydrophobicContact CE2-CB 4.15Å; F75-F79 AromaticContact CD1-CD2 3.64Å; F75-F79 HydrophobicContact CD1-CD2 3.64Å; F75-F79 HydrophobicContact CD1-CE2 4.17Å; F75-F79 HydrophobicContact CD1-CG 4.4Å; F75-F79 AromaticContact CE1-CD2 3.47Å; F75-F79 HydrophobicContact CE1-CD2 3.47Å; F75-F79 VanDerWaalsContact CE1-CD2 3.47Å; F75-F79 AromaticContact CE1-CE2 3.53Å; F75-F79 HydrophobicContact CE1-CE2 3.53Å; F75-F79 HydrophobicContact CE1-CG 4.33Å; F75-F79 HydrophobicContact CE1-CZ 4.44Å; F75-F79 HydrophobicContact CG-CD2 4.48Å; F75-F79 HydrophobicContact CZ-CD2 4.2Å; F75-F79 AromaticContact CZ-CE2 3.87Å; F75-F79 HydrophobicContact CZ-CE2 3.87Å; F75-F79 WeakPolarHBondContact O-CB 3.28Å; F75-F79 PolarHBondContact O-N 3.35Å
80	G	56.4	Low	73.9	Confident	108 Å²	108	100 Å²	100	100%	1.113	57%	0.57	S	S	*	*			trans	-87.8	0	171.1	0	0	0	0	0	110.7	K76	K76-G80 VanDerWaalsContact O-CA 3.22Å; K76-G80 WeakPolarHBondContact O-CA 3.49Å; K76-G80 PolarHBondContact O-N 2.95Å

Retrieved 80 of 80 residues in 119.8 ms (Link to these results)

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