A0A5K4F5S4_SCHMA Loading...

Neuropeptide

AlphaFold DB , UniProt , Accession A0A5K4F5S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0A5K4F5S4_SCHMA|A0A5K4F5S4
MIWSNKITIIGYVLLFTIILFTECLPQSKGNQIIPGYSAYEYLNEPKKRMLNGLRFQELLRLQKLKDSAKWLEDLGKRSFIYGVDSLADDEYD
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.9	Low	65.4	Low	214 Å²	214	122 Å²	122	100%	1.054	63%	0.627	S	S	*	*				0	50.6	0	-157.9	163.8	161.5	0	0	110.8
2	I	55.6	Low	66.8	Low	130 Å²	130	126 Å²	126	67%	0.667	63%	0.631	S	S	*	*			trans	-100.4	-23.7	-170	-66.7	162.6	0	0	0	112.2
3	W	52.1	Low	68	Low	216 Å²	216	122.8 Å²	122.8	82%	0.818	62%	0.621	S	S	*	*	H	α-helix	trans	-71.8	-31.3	-179.9	-89.7	40.2	0	0	0	113.9	N5 K6 I7	W3-N5 PolarHBondContact O-N 3.49Å; W3-K6 PolarHBondContact O-N 2.93Å; W3-I7 PolarHBondContact O-N 3.09Å
4	S	58.9	Low	69.1	Low	68 Å²	68	121.6 Å²	121.6	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-65.2	-39.6	179.7	-176.2	0	0	0	0	111.9	K6 I7 T8	S4-K6 VanDerWaalsContact C-N 3.35Å; S4-K6 PolarHBondContact O-N 2.89Å; S4-I7 PolarHBondContact O-N 3.2Å; S4-T8 PolarHBondContact O-N 2.94Å; S4-T8 PolarHBondContact O-OG1 2.79Å
5	N	60.7	Low	70.1	Confident	110 Å²	110	120.6 Å²	120.6	59%	0.588	61%	0.613	S	S	*	*	H	α-helix	trans	-64.9	-35.8	178.4	-82.3	-0.2	0	0	0	113	W3 T8 I9	W3-N5 PolarHBondContact O-N 3.49Å; N5-T8 PolarHBondContact O-N 3.19Å; N5-I9 WeakPolarHBondContact O-CD1 3.42Å; N5-I9 VanDerWaalsContact O-CG1 3.25Å; N5-I9 WeakPolarHBondContact O-CG1 3.33Å; N5-I9 PolarHBondContact O-N 3.38Å; N5-I9 VanDerWaalsContact O-N 3.14Å
6	K	63.9	Low	70.7	Confident	133 Å²	133	120.3 Å²	120.3	58%	0.578	61%	0.606	S	S	*	*	H	α-helix	trans	-65.6	-40.5	179.5	-71.7	-171.8	175.4	-174.6	0	112.3	W3 S4 I9 I10	W3-K6 PolarHBondContact O-N 2.93Å; S4-K6 VanDerWaalsContact C-N 3.35Å; S4-K6 PolarHBondContact O-N 2.89Å; K6-I9 PolarHBondContact O-N 3.4Å; K6-I10 WeakPolarHBondContact O-CD1 3.41Å; K6-I10 VanDerWaalsContact O-CG1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.28Å; K6-I10 PolarHBondContact O-N 2.65Å
7	I	72.3	Confident	71.3	Confident	119 Å²	119	116.8 Å²	116.8	61%	0.61	59%	0.592	S	S	*	*	H	α-helix	trans	-66.9	-41.7	179.4	-64.6	168.1	0	0	0	110.7	W3 S4 I9 I10 G11	W3-I7 PolarHBondContact O-N 3.09Å; S4-I7 PolarHBondContact O-N 3.2Å; I7-I9 VanDerWaalsContact C-N 3.35Å; I7-I9 PolarHBondContact O-N 3.31Å; I7-I10 PolarHBondContact O-N 3.38Å; I7-G11 PolarHBondContact O-N 3.4Å
8	T	71.4	Confident	71.7	Confident	91 Å²	91	115.5 Å²	115.5	56%	0.558	59%	0.586	S	S	*	*	H	α-helix	trans	-62.8	-41.1	178.3	-48.3	0	0	0	0	112.1	S4 N5 G11 Y12	S4-T8 PolarHBondContact O-N 2.94Å; S4-T8 PolarHBondContact O-OG1 2.79Å; N5-T8 PolarHBondContact O-N 3.19Å; T8-G11 PolarHBondContact O-N 3.25Å; T8-Y12 PolarHBondContact O-N 3.48Å
9	I	75.8	Confident	72	Confident	109 Å²	109	113.7 Å²	113.7	56%	0.559	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-44.9	177.5	-67.3	163.7	0	0	0	110.7	N5 K6 I7 G11 Y12 V13	N5-I9 WeakPolarHBondContact O-CD1 3.42Å; N5-I9 VanDerWaalsContact O-CG1 3.25Å; N5-I9 WeakPolarHBondContact O-CG1 3.33Å; N5-I9 PolarHBondContact O-N 3.38Å; N5-I9 VanDerWaalsContact O-N 3.14Å; K6-I9 PolarHBondContact O-N 3.4Å; I7-I9 VanDerWaalsContact C-N 3.35Å; I7-I9 PolarHBondContact O-N 3.31Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 3.07Å; I9-Y12 PolarHBondContact O-N 3.18Å; I9-V13 HydrophobicContact CG2-CG2 4.47Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 2.89Å
10	I	77.7	Confident	72.2	Confident	111 Å²	111	112.4 Å²	112.4	57%	0.569	57%	0.571	S	S	*	*	H	α-helix	trans	-61.5	-43.4	178.4	-66	163.6	0	0	0	110.7	K6 I7 Y12 V13 L14	K6-I10 WeakPolarHBondContact O-CD1 3.41Å; K6-I10 VanDerWaalsContact O-CG1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.28Å; K6-I10 PolarHBondContact O-N 2.65Å; I7-I10 PolarHBondContact O-N 3.38Å; I10-Y12 VanDerWaalsContact C-N 3.34Å; I10-Y12 PolarHBondContact O-N 3.34Å; I10-V13 PolarHBondContact O-N 3.5Å; I10-L14 WeakPolarHBondContact O-CB 2.87Å; I10-L14 PolarHBondContact O-N 3.33Å; I10-L14 VanDerWaalsContact O-N 3.07Å
11	G	80.2	Confident	72.1	Confident	41 Å²	41	114.2 Å²	114.2	42%	0.423	58%	0.576	S	S	.	*	H	α-helix	trans	-59.9	-42.8	176.1	0	0	0	0	0	112.7	I7 T8 I9 L14 L15	I7-G11 PolarHBondContact O-N 3.4Å; T8-G11 PolarHBondContact O-N 3.25Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 3.07Å; G11-L14 PolarHBondContact O-N 2.81Å; G11-L15 WeakPolarHBondContact O-CB 3.34Å; G11-L15 PolarHBondContact O-N 3.41Å
12	Y	82.2	Confident	72.9	Confident	170 Å²	170	108.2 Å²	108.2	67%	0.667	55%	0.551	S	S	*	*	H	α-helix	trans	-65.1	-43.2	178.6	-167.9	-94.1	0	0	0	112.4	T8 I9 I10 L14 L15 F16	T8-Y12 PolarHBondContact O-N 3.48Å; I9-Y12 PolarHBondContact O-N 3.18Å; I10-Y12 VanDerWaalsContact C-N 3.34Å; I10-Y12 PolarHBondContact O-N 3.34Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; Y12-L15 PolarHBondContact O-N 2.93Å; Y12-F16 WeakPolarHBondContact O-CB 3.32Å; Y12-F16 PolarHBondContact O-N 2.84Å
13	V	82.2	Confident	73.1	Confident	84 Å²	84	108.1 Å²	108.1	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-61.8	-42.4	177.5	173.4	0	0	0	0	111.1	I9 I10 F16 T17	I9-V13 HydrophobicContact CG2-CG2 4.47Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 2.89Å; I10-V13 PolarHBondContact O-N 3.5Å; V13-F16 PolarHBondContact O-N 3.48Å; V13-T17 WeakPolarHBondContact O-CG2 3.39Å; V13-T17 PolarHBondContact O-N 2.81Å; V13-T17 VanDerWaalsContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 2.9Å
14	L	83.7	Confident	73.4	Confident	106 Å²	106	102.8 Å²	102.8	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-69.8	-34	-179	-157.9	139.8	0	0	0	112.3	I10 G11 Y12 T17 I18	I10-L14 WeakPolarHBondContact O-CB 2.87Å; I10-L14 PolarHBondContact O-N 3.33Å; I10-L14 VanDerWaalsContact O-N 3.07Å; G11-L14 PolarHBondContact O-N 2.81Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; L14-T17 PolarHBondContact O-OG1 2.98Å; L14-I18 HydrophobicContact CD2-CD1 3.85Å; L14-I18 WeakPolarHBondContact O-CD1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.04Å; L14-I18 PolarHBondContact O-N 2.95Å
15	L	83.8	Confident	73.3	Confident	107 Å²	107	105.6 Å²	105.6	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-69.5	-39.8	175.5	-152.1	154.2	0	0	0	110.9	G11 Y12 I18 I19	G11-L15 WeakPolarHBondContact O-CB 3.34Å; G11-L15 PolarHBondContact O-N 3.41Å; Y12-L15 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.37Å; L15-I19 HydrophobicContact CD2-CD1 3.61Å; L15-I19 HydrophobicContact CD2-CG1 4.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.07Å
16	F	79.7	Confident	72.9	Confident	115 Å²	115	106 Å²	106	50%	0.504	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-40.6	177.1	-166.6	-101.2	0	0	0	112.7	Y12 V13 I19 L20	Y12-F16 WeakPolarHBondContact O-CB 3.32Å; Y12-F16 PolarHBondContact O-N 2.84Å; V13-F16 PolarHBondContact O-N 3.48Å; F16-I19 PolarHBondContact O-N 3.17Å; F16-L20 HydrophobicContact CD1-CD1 3.78Å; F16-L20 HydrophobicContact CD1-CG 4.34Å; F16-L20 HydrophobicContact CE1-CD1 3.55Å; F16-L20 HydrophobicContact CE1-CG 4.14Å; F16-L20 HydrophobicContact CZ-CD1 4.41Å; F16-L20 WeakPolarHBondContact O-CG 3.48Å; F16-L20 PolarHBondContact O-N 3.43Å; F16-L20 VanDerWaalsContact O-N 3.14Å
17	T	80.2	Confident	72.4	Confident	61 Å²	61	108.4 Å²	108.4	37%	0.374	57%	0.573	S	S	.	*	H	α-helix	trans	-65.9	-39.5	177.4	55.4	0	0	0	0	112.1	V13 L14 I19 L20 F21	V13-T17 WeakPolarHBondContact O-CG2 3.39Å; V13-T17 PolarHBondContact O-N 2.81Å; V13-T17 VanDerWaalsContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 2.9Å; L14-T17 PolarHBondContact O-OG1 2.98Å; T17-I19 VanDerWaalsContact C-N 3.34Å; T17-I19 PolarHBondContact O-N 2.87Å; T17-L20 PolarHBondContact O-N 2.87Å; T17-F21 VanDerWaalsContact O-CD2 3.28Å; T17-F21 WeakPolarHBondContact O-CD2 3.4Å; T17-F21 PolarHBondContact O-N 2.9Å
18	I	79.4	Confident	71.4	Confident	94 Å²	94	108.3 Å²	108.3	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-60.8	-43.8	176.5	-67.4	166.6	0	0	0	111.1	L14 L15 L20 F21 T22	L14-I18 HydrophobicContact CD2-CD1 3.85Å; L14-I18 WeakPolarHBondContact O-CD1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.04Å; L14-I18 PolarHBondContact O-N 2.95Å; L15-I18 PolarHBondContact O-N 3.37Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 3.46Å; I18-F21 PolarHBondContact O-N 2.94Å; I18-T22 HydrophobicContact CG2-CG2 4.48Å; I18-T22 WeakPolarHBondContact O-CG2 3.47Å; I18-T22 PolarHBondContact O-N 3.19Å; I18-T22 PolarHBondContact O-OG1 2.9Å
19	I	78.1	Confident	70.6	Confident	81 Å²	81	113 Å²	113	42%	0.415	60%	0.596	S	S	.	*	H	α-helix	trans	-62.5	-41.7	178.4	-66.2	168.6	0	0	0	111.1	L15 F16 T17 F21 T22 E23	L15-I19 HydrophobicContact CD2-CD1 3.61Å; L15-I19 HydrophobicContact CD2-CG1 4.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.07Å; F16-I19 PolarHBondContact O-N 3.17Å; T17-I19 VanDerWaalsContact C-N 3.34Å; T17-I19 PolarHBondContact O-N 2.87Å; I19-F21 VanDerWaalsContact C-N 3.32Å; I19-F21 PolarHBondContact O-N 3.48Å; I19-T22 WeakPolarHBondContact CA-OG1 3.4Å; I19-T22 PolarHBondContact O-N 2.97Å; I19-T22 PolarHBondContact O-OG1 2.94Å; I19-E23 PolarHBondContact O-N 3.34Å
20	L	74.6	Confident	69.3	Low	87 Å²	87	110.8 Å²	110.8	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-64.3	-36.9	176.4	-71.6	175.2	0	0	0	112.4	F16 T17 I18 C24	F16-L20 HydrophobicContact CD1-CD1 3.78Å; F16-L20 HydrophobicContact CD1-CG 4.34Å; F16-L20 HydrophobicContact CE1-CD1 3.55Å; F16-L20 HydrophobicContact CE1-CG 4.14Å; F16-L20 HydrophobicContact CZ-CD1 4.41Å; F16-L20 WeakPolarHBondContact O-CG 3.48Å; F16-L20 PolarHBondContact O-N 3.43Å; F16-L20 VanDerWaalsContact O-N 3.14Å; T17-L20 PolarHBondContact O-N 2.87Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 3.46Å; L20-C24 WeakPolarHBondContact O-CB 3.46Å; L20-C24 PolarHBondContact O-N 3.04Å; L20-C24 PolarHBondContact O-SG 3.4Å
21	F	70	Confident	67.9	Low	152 Å²	152	112.9 Å²	112.9	67%	0.667	61%	0.612	S	S	*	*	H	α-helix	trans	-68.4	-38.3	175.6	-90	-74	0	0	0	112.5	T17 I18 I19 C24 L25	T17-F21 VanDerWaalsContact O-CD2 3.28Å; T17-F21 WeakPolarHBondContact O-CD2 3.4Å; T17-F21 PolarHBondContact O-N 2.9Å; I18-F21 PolarHBondContact O-N 2.94Å; I19-F21 VanDerWaalsContact C-N 3.32Å; I19-F21 PolarHBondContact O-N 3.48Å; F21-C24 PolarHBondContact O-N 3.25Å; F21-L25 PolarHBondContact O-N 2.85Å
22	T	68.2	Low	66.8	Low	87 Å²	87	119.3 Å²	119.3	53%	0.534	63%	0.631	S	S	.	*	H	α-helix	trans	-72.9	-32.8	179.2	55.6	0	0	0	0	112.8	I18 I19 C24	I18-T22 HydrophobicContact CG2-CG2 4.48Å; I18-T22 WeakPolarHBondContact O-CG2 3.47Å; I18-T22 PolarHBondContact O-N 3.19Å; I18-T22 PolarHBondContact O-OG1 2.9Å; I19-T22 WeakPolarHBondContact CA-OG1 3.4Å; I19-T22 PolarHBondContact O-N 2.97Å; I19-T22 PolarHBondContact O-OG1 2.94Å; T22-C24 VanDerWaalsContact C-N 3.34Å
23	E	61	Low	65.6	Low	128 Å²	128	117.7 Å²	117.7	60%	0.598	63%	0.632	S	S	*	*	H	α-helix	trans	-72.6	-24.8	172.7	-70.5	-146.7	149.7	0	0	113.3	I19 K64	I19-E23 PolarHBondContact O-N 3.34Å; E23-K64 IonicContact OE1-NZ 2.65Å; E23-K64 PolarHBondContact OE1-NZ 3.36Å; E23-K64 IonicContact OE2-NZ 3.53Å; E23-K64 PolarHBondContact OE2-NZ 3.35Å
24	C	57.9	Low	64.4	Low	105 Å²	105	117.1 Å²	117.1	71%	0.709	63%	0.626	S	S	*	*	H	α-helix	trans	-86.5	-9.8	178.4	-79.8	0	0	0	0	114.5	L20 F21 T22 P26	L20-C24 WeakPolarHBondContact O-CB 3.46Å; L20-C24 PolarHBondContact O-N 3.04Å; L20-C24 PolarHBondContact O-SG 3.4Å; F21-C24 PolarHBondContact O-N 3.25Å; T22-C24 VanDerWaalsContact C-N 3.34Å; C24-P26 WeakPolarHBondContact O-CD 3.5Å
25	L	55.4	Low	62.9	Low	126 Å²	126	118 Å²	118	66%	0.66	64%	0.638	S	S	*	*	S	Bend	trans	-78.7	113.5	174.9	-80.3	166.8	0	0	0	109.6	F21 Q27	F21-L25 PolarHBondContact O-N 2.85Å; L25-Q27 PolarHBondContact O-N 2.97Å
26	P	53.6	Low	61.8	Low	118 Å²	118	116.7 Å²	116.7	77%	0.766	65%	0.649	S	S	*	*			trans	-63.5	115.3	173.7	26	-31.6	0	0	0	108.4	C24 S28	C24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-S28 PolarHBondContact O-N 3.35Å
27	Q	52.4	Low	60.3	Low	185 Å²	185	115.7 Å²	115.7	86%	0.864	64%	0.643	S	S	*	*			trans	-53.1	108	165.3	-91	-176.1	-12	0	0	108.3	L25 K29	L25-Q27 PolarHBondContact O-N 2.97Å; Q27-K29 PolarHBondContact O-N 2.89Å
28	S	51.4	Low	59.2	Low	116 Å²	116	116 Å²	116	81%	0.811	65%	0.648	S	S	*	*			trans	-51.6	100.3	165.4	166.4	0	0	0	0	108.3	P26 G30	P26-S28 PolarHBondContact O-N 3.35Å; S28-G30 PolarHBondContact O-N 3.48Å; S28-G30 VanDerWaalsContact O-N 3.07Å
29	K	56.1	Low	58.1	Low	191 Å²	191	115.2 Å²	115.2	83%	0.83	66%	0.655	S	S	*	*			trans	-69.5	104.8	171.4	-72.8	-172.5	177.7	-177.9	0	106.9	Q27 N31	Q27-K29 PolarHBondContact O-N 2.89Å; K29-N31 PolarHBondContact O-N 3.41Å
30	G	48.2	Very low	57	Low	61 Å²	61	120.9 Å²	120.9	63%	0.629	67%	0.673	S	S	*	*			trans	-50.4	131.9	171.4	0	0	0	0	0	111.1	S28 Q32	S28-G30 PolarHBondContact O-N 3.48Å; S28-G30 VanDerWaalsContact O-N 3.07Å; G30-Q32 PolarHBondContact O-N 3.16Å
31	N	47	Very low	56.1	Low	155 Å²	155	121.7 Å²	121.7	83%	0.829	67%	0.674	S	S	*	*			trans	-56.4	97.1	174.3	-103.5	3.4	0	0	0	110.4	K29	K29-N31 PolarHBondContact O-N 3.41Å
32	Q	58.2	Low	55.2	Low	177 Å²	177	119.7 Å²	119.7	83%	0.827	66%	0.663	S	S	*	*			trans	-94.5	100.6	159.6	-74.2	-177.2	4.5	0	0	107.7	G30 I34	G30-Q32 PolarHBondContact O-N 3.16Å; Q32-I34 PolarHBondContact O-N 2.91Å
33	I	56.3	Low	54.5	Low	136 Å²	136	121.4 Å²	121.4	70%	0.697	67%	0.668	S	S	*	*			trans	-71.7	116.4	172	-60.1	171.9	0	0	0	106.8	P35	I33-P35 WeakPolarHBondContact O-CD 3.28Å
34	I	57.2	Low	54.3	Low	72 Å²	72	121 Å²	121	37%	0.369	67%	0.67	S	S	.	*			trans	-86.4	115.4	177.2	-56.5	166	0	0	0	107.8	Q32 G36 Y37	Q32-I34 PolarHBondContact O-N 2.91Å; I34-G36 PolarHBondContact O-N 3.37Å; I34-Y37 HydrophobicContact CB-CD2 4.36Å; I34-Y37 HydrophobicContact CB-CE2 4.34Å; I34-Y37 HydrophobicContact CD1-CE2 4.47Å; I34-Y37 HydrophobicContact CG2-CD2 4.04Å; I34-Y37 HydrophobicContact CG2-CE2 3.77Å
35	P	52.2	Low	54.1	Low	125 Å²	125	118.1 Å²	118.1	81%	0.812	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	122.2	174.7	30.4	-29.8	0	0	0	109.3	I33	I33-P35 WeakPolarHBondContact O-CD 3.28Å
36	G	60.5	Low	54.2	Low	78 Å²	78	115.4 Å²	115.4	80%	0.804	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	142	-3.6	171.6	0	0	0	0	0	117.2	I34	I34-G36 PolarHBondContact O-N 3.37Å
37	Y	49.6	Very low	54.4	Low	94 Å²	94	117.6 Å²	117.6	37%	0.369	63%	0.634	S	S	.	*			trans	-95.9	130.5	-179.5	-75.9	-80.5	0	0	0	112	I34 E41 Y42 E45	I34-Y37 HydrophobicContact CB-CD2 4.36Å; I34-Y37 HydrophobicContact CB-CE2 4.34Å; I34-Y37 HydrophobicContact CD1-CE2 4.47Å; I34-Y37 HydrophobicContact CG2-CD2 4.04Å; I34-Y37 HydrophobicContact CG2-CE2 3.77Å; Y37-E41 HydrophobicContact CD1-CB 4.07Å; Y37-E41 HydrophobicContact CD1-CG 4.26Å; Y37-Y42 HydrophobicContact CG-CD2 4.42Å; Y37-E45 VanDerWaalsContact CE1-OE1 3.28Å; Y37-E45 WeakPolarHBondContact CE1-OE1 3.38Å
38	S	57.1	Low	54.8	Low	69 Å²	69	116.3 Å²	116.3	48%	0.483	63%	0.625	S	S	.	*			trans	-63.8	144.3	170.1	80.8	0	0	0	0	109.6	Y40 E41 Y42	S38-Y40 PolarHBondContact O-N 3.41Å; S38-E41 PolarHBondContact O-N 2.9Å; S38-Y42 PolarHBondContact O-N 2.92Å
39	A	56.5	Low	55.1	Low	76 Å²	76	117 Å²	117	63%	0.628	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-19.7	-173.5	0	0	0	0	0	114.5
40	Y	53.7	Low	55.3	Low	200 Å²	200	114.5 Å²	114.5	78%	0.784	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-30.3	177.4	-69.9	-79.5	0	0	0	113.8	S38	S38-Y40 PolarHBondContact O-N 3.41Å
41	E	55.2	Low	55.8	Low	104 Å²	104	117.6 Å²	117.6	49%	0.486	61%	0.605	S	S	.	*	H	α-helix	trans	-73.1	-36.7	174.7	-130.2	163.4	-173.2	0	0	110.5	Y37 S38 L43 N44 E45	Y37-E41 HydrophobicContact CD1-CB 4.07Å; Y37-E41 HydrophobicContact CD1-CG 4.26Å; S38-E41 PolarHBondContact O-N 2.9Å; E41-L43 PolarHBondContact O-N 3.35Å; E41-N44 PolarHBondContact O-N 3.32Å; E41-E45 WeakPolarHBondContact O-CG 3.43Å; E41-E45 PolarHBondContact O-N 2.92Å; E41-E45 VanDerWaalsContact O-N 3.09Å
42	Y	51.6	Low	56.5	Low	111 Å²	111	115.1 Å²	115.1	44%	0.435	59%	0.591	S	S	.	*	H	α-helix	trans	-64.1	-22.1	179.7	-139	-92.9	0	0	0	114.4	Y37 S38 P46	Y37-Y42 HydrophobicContact CG-CD2 4.42Å; S38-Y42 PolarHBondContact O-N 2.92Å; Y42-P46 WeakPolarHBondContact O-CD 3.5Å; Y42-P46 VanDerWaalsContact O-CG 3.3Å; Y42-P46 WeakPolarHBondContact O-CG 3.35Å
43	L	54.5	Low	56.7	Low	123 Å²	123	108.3 Å²	108.3	64%	0.644	57%	0.568	S	S	*	*	H	α-helix	trans	-83.8	-26.8	179.3	-80	163.8	0	0	0	113.1	E41	E41-L43 PolarHBondContact O-N 3.35Å
44	N	56.5	Low	56.9	Low	118 Å²	118	106.1 Å²	106.1	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-97.4	-27.4	-179	-77.9	-22.1	0	0	0	113.5	E41 K48	E41-N44 PolarHBondContact O-N 3.32Å; N44-K48 PolarHBondContact O-N 2.77Å
45	E	54	Low	57.3	Low	45 Å²	45	110.9 Å²	110.9	21%	0.21	57%	0.571	C	S	.	*	H	α-helix	trans	-60.8	-42.7	175.1	-76.4	-158	152.6	0	0	115.5	Y37 E41 K47 K48 R49	Y37-E45 VanDerWaalsContact CE1-OE1 3.28Å; Y37-E45 WeakPolarHBondContact CE1-OE1 3.38Å; E41-E45 WeakPolarHBondContact O-CG 3.43Å; E41-E45 PolarHBondContact O-N 2.92Å; E41-E45 VanDerWaalsContact O-N 3.09Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 2.8Å; E45-K48 PolarHBondContact O-N 3.21Å; E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 WeakPolarHBondContact O-CG 3.48Å; E45-R49 PolarHBondContact O-N 3.38Å; E45-R49 IonicContact OE2-CZ 2.77Å; E45-R49 IonicContact OE2-NE 2.71Å; E45-R49 IonicContact OE2-NH2 2.8Å; E45-R49 PolarHBondContact OE2-NH2 3.3Å
46	P	55.9	Low	58.2	Low	70 Å²	70	111.3 Å²	111.3	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-37.5	-178.5	21.1	-30.8	0	0	0	111.3	Y42 R49 M50	Y42-P46 WeakPolarHBondContact O-CD 3.5Å; Y42-P46 VanDerWaalsContact O-CG 3.3Å; Y42-P46 WeakPolarHBondContact O-CG 3.35Å; P46-R49 PolarHBondContact O-N 2.98Å; P46-M50 WeakPolarHBondContact O-CB 3.39Å; P46-M50 PolarHBondContact O-N 3.31Å
47	K	59.4	Low	58.7	Low	164 Å²	164	113.2 Å²	113.2	71%	0.713	55%	0.549	S	S	*	.	H	α-helix	trans	-64.2	-42.7	173.7	-74.4	-175.5	179.4	178.3	0	111.9	E45 M50 L51	E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 2.8Å; K47-M50 PolarHBondContact O-N 3.45Å; K47-L51 WeakPolarHBondContact O-CB 3.37Å; K47-L51 PolarHBondContact O-N 3.31Å
48	K	59	Low	59.7	Low	158 Å²	158	114 Å²	114	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-65.4	-44.6	176.6	-116	179.1	179.2	179	0	112.4	N44 E45 N52	N44-K48 PolarHBondContact O-N 2.77Å; E45-K48 PolarHBondContact O-N 3.21Å; K48-N52 WeakPolarHBondContact O-CB 3.4Å; K48-N52 PolarHBondContact O-N 2.98Å
49	R	59	Low	60.6	Low	130 Å²	130	115.6 Å²	115.6	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-67.2	-37.3	177	-68.4	-174.4	-154.6	-179.9	6.1	111.7	E45 P46 G53	E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 WeakPolarHBondContact O-CG 3.48Å; E45-R49 PolarHBondContact O-N 3.38Å; E45-R49 IonicContact OE2-CZ 2.77Å; E45-R49 IonicContact OE2-NE 2.71Å; E45-R49 IonicContact OE2-NH2 2.8Å; E45-R49 PolarHBondContact OE2-NH2 3.3Å; P46-R49 PolarHBondContact O-N 2.98Å; R49-G53 PolarHBondContact O-N 2.71Å
50	M	59	Low	61.6	Low	138 Å²	138	115.9 Å²	115.9	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-70.3	-40.3	178	-165.3	169.8	176.4	0	0	111.1	P46 K47 G53 L54	P46-M50 WeakPolarHBondContact O-CB 3.39Å; P46-M50 PolarHBondContact O-N 3.31Å; K47-M50 PolarHBondContact O-N 3.45Å; M50-G53 PolarHBondContact O-N 3.44Å; M50-L54 WeakPolarHBondContact O-CB 3.38Å; M50-L54 PolarHBondContact O-N 3.03Å
51	L	60.2	Low	62.6	Low	127 Å²	127	114.5 Å²	114.5	67%	0.665	54%	0.542	S	S	*	.	H	α-helix	trans	-65.9	-43.7	174.3	-159.5	80.6	0	0	0	111.9	K47 G53 L54 R55	K47-L51 WeakPolarHBondContact O-CB 3.37Å; K47-L51 PolarHBondContact O-N 3.31Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.32Å; L51-L54 PolarHBondContact O-N 3.46Å; L51-R55 WeakPolarHBondContact O-CB 3.47Å; L51-R55 PolarHBondContact O-N 3.22Å
52	N	61.4	Low	63.7	Low	102 Å²	102	114.9 Å²	114.9	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-36.1	174.2	-76.6	-11.6	0	0	0	112	K48 F56	K48-N52 WeakPolarHBondContact O-CB 3.4Å; K48-N52 PolarHBondContact O-N 2.98Å; N52-F56 WeakPolarHBondContact O-CB 3.49Å; N52-F56 PolarHBondContact O-N 2.71Å
53	G	61.4	Low	65	Low	34 Å²	34	114 Å²	114	35%	0.351	55%	0.547	S	S	.	.	H	α-helix	trans	-66.5	-42.5	175	0	0	0	0	0	112.7	R49 M50 L51 F56 Q57	R49-G53 PolarHBondContact O-N 2.71Å; M50-G53 PolarHBondContact O-N 3.44Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.32Å; G53-F56 PolarHBondContact O-N 3.31Å; G53-Q57 PolarHBondContact O-N 2.92Å
54	L	62	Low	66.1	Low	90 Å²	90	112.7 Å²	112.7	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-46.9	174.6	-129.2	93.5	0	0	0	110.7	M50 L51 F56 Q57 E58	M50-L54 WeakPolarHBondContact O-CB 3.38Å; M50-L54 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 3.46Å; L54-F56 VanDerWaalsContact C-N 3.3Å; L54-F56 PolarHBondContact O-N 3.4Å; L54-Q57 PolarHBondContact O-N 3.5Å; L54-E58 PolarHBondContact O-N 2.89Å
55	R	64	Low	67.1	Low	172 Å²	172	112.2 Å²	112.2	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-37.2	177.9	-163.7	177.2	-173.7	-170.6	1.5	112	L51 E58 L59	L51-R55 WeakPolarHBondContact O-CB 3.47Å; L51-R55 PolarHBondContact O-N 3.22Å; R55-E58 PolarHBondContact O-N 2.87Å; R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.29Å; R55-L59 WeakPolarHBondContact O-CG 3.46Å; R55-L59 PolarHBondContact O-N 3.34Å
56	F	71	Confident	68.4	Low	134 Å²	134	116.9 Å²	116.9	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-67.9	-40.2	174.9	-170.1	-96.2	0	0	0	111.9	N52 G53 L54 E58 L59 L60	N52-F56 WeakPolarHBondContact O-CB 3.49Å; N52-F56 PolarHBondContact O-N 2.71Å; G53-F56 PolarHBondContact O-N 3.31Å; L54-F56 VanDerWaalsContact C-N 3.3Å; L54-F56 PolarHBondContact O-N 3.4Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-L59 PolarHBondContact O-N 2.97Å; F56-L60 HydrophobicContact CD1-CD1 4.33Å; F56-L60 HydrophobicContact CE1-CD1 3.58Å; F56-L60 HydrophobicContact CZ-CD1 4.07Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.37Å; F56-L60 PolarHBondContact O-N 2.87Å
57	Q	71.6	Confident	69.5	Low	119 Å²	119	117.4 Å²	117.4	56%	0.556	55%	0.551	S	S	*	*	H	α-helix	trans	-63.5	-39.5	174	-78.4	-174	-15.4	0	0	112.3	G53 L54 L60 R61	G53-Q57 PolarHBondContact O-N 2.92Å; L54-Q57 PolarHBondContact O-N 3.5Å; Q57-L60 PolarHBondContact O-N 3.31Å; Q57-R61 WeakPolarHBondContact O-CB 3.21Å; Q57-R61 WeakPolarHBondContact O-CG 3.42Å; Q57-R61 PolarHBondContact O-N 3.49Å
58	E	70.5	Confident	70.3	Confident	111 Å²	111	112.1 Å²	112.1	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-45.9	173.7	-76.6	177	171.3	0	0	111.9	L54 R55 F56 L60 R61 L62	L54-E58 PolarHBondContact O-N 2.89Å; R55-E58 PolarHBondContact O-N 2.87Å; F56-E58 VanDerWaalsContact C-N 3.35Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 2.98Å; E58-L62 WeakPolarHBondContact O-CB 3.44Å; E58-L62 WeakPolarHBondContact O-CG 3.5Å; E58-L62 PolarHBondContact O-N 3.35Å
59	L	75.3	Confident	71.1	Confident	102 Å²	102	107.2 Å²	107.2	53%	0.534	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175.2	-73.5	171	0	0	0	111.9	R55 F56 L62 Q63	R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.29Å; R55-L59 WeakPolarHBondContact O-CG 3.46Å; R55-L59 PolarHBondContact O-N 3.34Å; F56-L59 PolarHBondContact O-N 2.97Å; L59-L62 PolarHBondContact O-N 3.42Å; L59-Q63 WeakPolarHBondContact O-CB 3.41Å; L59-Q63 PolarHBondContact O-N 3.28Å
60	L	77.8	Confident	72	Confident	81 Å²	81	108.3 Å²	108.3	42%	0.424	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-35.7	178.8	-156.1	134.2	0	0	0	111.6	F56 Q57 E58 K64	F56-L60 HydrophobicContact CD1-CD1 4.33Å; F56-L60 HydrophobicContact CE1-CD1 3.58Å; F56-L60 HydrophobicContact CZ-CD1 4.07Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.37Å; F56-L60 PolarHBondContact O-N 2.87Å; Q57-L60 PolarHBondContact O-N 3.31Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-K64 HydrophobicContact CD2-CD 4.38Å; L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 WeakPolarHBondContact O-CG 3.41Å; L60-K64 PolarHBondContact O-N 3.45Å
61	R	75.2	Confident	72.8	Confident	172 Å²	172	109.6 Å²	109.6	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-64.8	-44.9	170	-80.5	-179.1	168.6	154.3	-1.2	112	Q57 E58 Q63 K64 L65	Q57-R61 WeakPolarHBondContact O-CB 3.21Å; Q57-R61 WeakPolarHBondContact O-CG 3.42Å; Q57-R61 PolarHBondContact O-N 3.49Å; E58-R61 PolarHBondContact O-N 2.98Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-Q63 PolarHBondContact O-N 3.14Å; R61-K64 PolarHBondContact O-N 3.01Å; R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 3.06Å
62	L	77.5	Confident	73.3	Confident	111 Å²	111	109 Å²	109	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-63.2	-39.1	176.8	-72.8	173.1	0	0	0	111.8	E58 L59 L65 K66	E58-L62 WeakPolarHBondContact O-CB 3.44Å; E58-L62 WeakPolarHBondContact O-CG 3.5Å; E58-L62 PolarHBondContact O-N 3.35Å; L59-L62 PolarHBondContact O-N 3.42Å; L62-L65 PolarHBondContact O-N 3.4Å; L62-K66 WeakPolarHBondContact O-CB 3.28Å; L62-K66 PolarHBondContact O-N 2.92Å
63	Q	79.1	Confident	73.9	Confident	94 Å²	94	109.4 Å²	109.4	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-47.4	175.1	-175.7	60.3	33.9	0	0	111.4	L59 R61 L65 K66 D67	L59-Q63 WeakPolarHBondContact O-CB 3.41Å; L59-Q63 PolarHBondContact O-N 3.28Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-Q63 PolarHBondContact O-N 3.14Å; Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 3.45Å; Q63-K66 WeakPolarHBondContact O-CB 3.44Å; Q63-K66 PolarHBondContact O-N 3.11Å; Q63-K66 VanDerWaalsContact O-N 3.16Å; Q63-D67 PolarHBondContact NE2-OD1 3.39Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.17Å; Q63-D67 PolarHBondContact NE2-OD2 3.22Å; Q63-D67 VanDerWaalsContact NE2-OD2 3.07Å; Q63-D67 PolarHBondContact O-N 3.05Å
64	K	78.9	Confident	74.5	Confident	94 Å²	94	112.2 Å²	112.2	41%	0.409	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-42.2	174.3	-79.8	-174.1	168.8	-170	0	111.8	E23 L60 R61 D67 S68	E23-K64 IonicContact OE1-NZ 2.65Å; E23-K64 PolarHBondContact OE1-NZ 3.36Å; E23-K64 IonicContact OE2-NZ 3.53Å; E23-K64 PolarHBondContact OE2-NZ 3.35Å; L60-K64 HydrophobicContact CD2-CD 4.38Å; L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 WeakPolarHBondContact O-CG 3.41Å; L60-K64 PolarHBondContact O-N 3.45Å; R61-K64 PolarHBondContact O-N 3.01Å; K64-D67 PolarHBondContact O-N 2.87Å; K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.02Å
65	L	76.9	Confident	74.7	Confident	108 Å²	108	111.4 Å²	111.4	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-63.3	-43.9	175.9	-77.1	169.3	0	0	0	111.8	R61 L62 Q63 D67 S68 A69	R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 3.06Å; L62-L65 PolarHBondContact O-N 3.4Å; Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 3.45Å; L65-D67 PolarHBondContact O-N 3.16Å; L65-S68 WeakPolarHBondContact CA-OG 3.48Å; L65-S68 PolarHBondContact O-N 3.3Å; L65-S68 PolarHBondContact O-OG 3.1Å; L65-A69 WeakPolarHBondContact O-CB 3.5Å; L65-A69 PolarHBondContact O-N 2.76Å
66	K	81.7	Confident	74.7	Confident	143 Å²	143	105 Å²	105	62%	0.622	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-42.6	176.5	-174.2	178.9	179.3	-178.9	0	112.1	L62 Q63 A69 K70	L62-K66 WeakPolarHBondContact O-CB 3.28Å; L62-K66 PolarHBondContact O-N 2.92Å; Q63-K66 WeakPolarHBondContact O-CB 3.44Å; Q63-K66 PolarHBondContact O-N 3.11Å; Q63-K66 VanDerWaalsContact O-N 3.16Å; K66-A69 PolarHBondContact O-N 3.49Å; K66-K70 WeakPolarHBondContact O-CB 3.39Å; K66-K70 PolarHBondContact O-N 3.35Å
67	D	78.8	Confident	74.3	Confident	82 Å²	82	104.2 Å²	104.2	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-38.2	178.1	-67.3	-28.7	0	0	0	111.1	Q63 K64 L65 K70 W71	Q63-D67 PolarHBondContact NE2-OD1 3.39Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.17Å; Q63-D67 PolarHBondContact NE2-OD2 3.22Å; Q63-D67 VanDerWaalsContact NE2-OD2 3.07Å; Q63-D67 PolarHBondContact O-N 3.05Å; K64-D67 PolarHBondContact O-N 2.87Å; L65-D67 PolarHBondContact O-N 3.16Å; D67-K70 PolarHBondContact O-N 3.07Å; D67-W71 WeakPolarHBondContact O-CB 3.32Å; D67-W71 PolarHBondContact O-N 3.49Å
68	S	75.9	Confident	73.5	Confident	52 Å²	52	106.3 Å²	106.3	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-37.5	173	66.7	0	0	0	0	113.4	K64 L65 W71 L72	K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.02Å; L65-S68 WeakPolarHBondContact CA-OG 3.48Å; L65-S68 PolarHBondContact O-N 3.3Å; L65-S68 PolarHBondContact O-OG 3.1Å; S68-W71 PolarHBondContact O-N 3.02Å; S68-L72 WeakPolarHBondContact O-CB 3.46Å; S68-L72 PolarHBondContact O-N 3.38Å
69	A	76.2	Confident	72.7	Confident	55 Å²	55	104.2 Å²	104.2	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-41.2	176.7	0	0	0	0	0	110.8	L65 K66 W71 L72 E73	L65-A69 WeakPolarHBondContact O-CB 3.5Å; L65-A69 PolarHBondContact O-N 2.76Å; K66-A69 PolarHBondContact O-N 3.49Å; A69-W71 VanDerWaalsContact C-N 3.33Å; A69-W71 PolarHBondContact O-N 3.17Å; A69-L72 PolarHBondContact O-N 3.45Å; A69-E73 WeakPolarHBondContact O-CB 3.47Å; A69-E73 PolarHBondContact O-N 3.41Å
70	K	76.9	Confident	71.5	Confident	153 Å²	153	108.4 Å²	108.4	67%	0.665	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-40.2	173.4	-171	177.6	-179	-177.6	0	111.7	K66 D67 E73 D74	K66-K70 WeakPolarHBondContact O-CB 3.39Å; K66-K70 PolarHBondContact O-N 3.35Å; D67-K70 PolarHBondContact O-N 3.07Å; K70-E73 PolarHBondContact O-N 3.23Å; K70-D74 WeakPolarHBondContact O-CB 3.41Å; K70-D74 PolarHBondContact O-N 3.01Å
71	W	77.4	Confident	70.4	Confident	166 Å²	166	110.7 Å²	110.7	63%	0.629	54%	0.537	S	S	*	.	H	α-helix	trans	-65	-41.4	175.3	-176.3	81.8	0	0	0	112.4	D67 S68 A69 D74 L75	D67-W71 WeakPolarHBondContact O-CB 3.32Å; D67-W71 PolarHBondContact O-N 3.49Å; S68-W71 PolarHBondContact O-N 3.02Å; A69-W71 VanDerWaalsContact C-N 3.33Å; A69-W71 PolarHBondContact O-N 3.17Å; W71-D74 PolarHBondContact O-N 3.37Å; W71-L75 HydrophobicContact CD2-CD1 3.94Å; W71-L75 HydrophobicContact CD2-CG 4.31Å; W71-L75 HydrophobicContact CE3-CD1 3.67Å; W71-L75 HydrophobicContact CE3-CG 4.44Å; W71-L75 HydrophobicContact CH2-CD1 3.24Å; W71-L75 HydrophobicContact CH2-CG 4.39Å; W71-L75 HydrophobicContact CZ2-CD1 3.49Å; W71-L75 VanDerWaalsContact CZ2-CD1 3.49Å; W71-L75 HydrophobicContact CZ2-CG 4.22Å; W71-L75 HydrophobicContact CZ3-CD1 3.32Å; W71-L75 HydrophobicContact CZ3-CG 4.48Å; W71-L75 WeakPolarHBondContact O-CG 3.34Å; W71-L75 PolarHBondContact O-N 3.45Å
72	L	70.1	Confident	69.1	Low	113 Å²	113	111.9 Å²	111.9	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-63.1	-41.5	173.6	-101.7	151.6	0	0	0	112.4	S68 A69 D74 L75 G76	S68-L72 WeakPolarHBondContact O-CB 3.46Å; S68-L72 PolarHBondContact O-N 3.38Å; A69-L72 PolarHBondContact O-N 3.45Å; L72-D74 VanDerWaalsContact C-N 3.35Å; L72-L75 PolarHBondContact O-N 3Å; L72-G76 PolarHBondContact O-N 3.32Å
73	E	74.4	Confident	67.5	Low	111 Å²	111	109.6 Å²	109.6	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-40.5	176.1	-164.9	-169.1	155.2	0	0	111.4	A69 K70 G76 K77	A69-E73 WeakPolarHBondContact O-CB 3.47Å; A69-E73 PolarHBondContact O-N 3.41Å; K70-E73 PolarHBondContact O-N 3.23Å; E73-G76 PolarHBondContact O-N 3.44Å; E73-K77 WeakPolarHBondContact O-CG 3.46Å; E73-K77 PolarHBondContact O-N 3.49Å; E73-K77 WeakPolarHBondContact OE1-CE 3.31Å; E73-K77 IonicContact OE1-NZ 3.68Å; E73-K77 PolarHBondContact OE1-NZ 3.14Å
74	D	72.8	Confident	65.9	Low	94 Å²	94	111.4 Å²	111.4	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-68.7	-36.8	177.7	-157	45	0	0	0	111.9	K70 W71 L72 K77 R78	K70-D74 WeakPolarHBondContact O-CB 3.41Å; K70-D74 PolarHBondContact O-N 3.01Å; W71-D74 PolarHBondContact O-N 3.37Å; L72-D74 VanDerWaalsContact C-N 3.35Å; D74-K77 PolarHBondContact O-N 3.46Å; D74-R78 PolarHBondContact O-N 3.27Å
75	L	66.5	Low	64.3	Low	73 Å²	73	114.5 Å²	114.5	38%	0.382	59%	0.585	S	S	.	*	H	α-helix	trans	-65.8	-41.5	170.5	-80.5	-176.3	0	0	0	112.8	W71 L72 K77 R78 S79	W71-L75 HydrophobicContact CD2-CD1 3.94Å; W71-L75 HydrophobicContact CD2-CG 4.31Å; W71-L75 HydrophobicContact CE3-CD1 3.67Å; W71-L75 HydrophobicContact CE3-CG 4.44Å; W71-L75 HydrophobicContact CH2-CD1 3.24Å; W71-L75 HydrophobicContact CH2-CG 4.39Å; W71-L75 HydrophobicContact CZ2-CD1 3.49Å; W71-L75 VanDerWaalsContact CZ2-CD1 3.49Å; W71-L75 HydrophobicContact CZ2-CG 4.22Å; W71-L75 HydrophobicContact CZ3-CD1 3.32Å; W71-L75 HydrophobicContact CZ3-CG 4.48Å; W71-L75 WeakPolarHBondContact O-CG 3.34Å; W71-L75 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.46Å; L75-R78 CarbonylContact O-C 3.52Å; L75-R78 PolarHBondContact O-N 3.18Å; L75-R78 VanDerWaalsContact O-N 3.17Å; L75-S79 PolarHBondContact O-N 3.4Å
76	G	64.6	Low	62.8	Low	37 Å²	37	114.2 Å²	114.2	38%	0.381	59%	0.592	S	S	.	*	H	α-helix	trans	-63.3	-39	176.2	0	0	0	0	0	112.2	L72 E73 R78 S79 F80	L72-G76 PolarHBondContact O-N 3.32Å; E73-G76 PolarHBondContact O-N 3.44Å; G76-R78 VanDerWaalsContact C-N 3.34Å; G76-S79 PolarHBondContact O-N 3.45Å; G76-S79 PolarHBondContact O-OG 3.01Å; G76-S79 VanDerWaalsContact O-OG 3.05Å; G76-F80 PolarHBondContact O-N 3.37Å; G76-F80 VanDerWaalsContact O-N 3.11Å
77	K	62	Low	61.3	Low	117 Å²	117	116 Å²	116	51%	0.509	61%	0.607	S	S	.	*	H	α-helix	trans	-65.5	-37.3	172.4	-72.7	174.6	-173.1	166.2	0	111.9	E73 D74 L75 I81	E73-K77 WeakPolarHBondContact O-CG 3.46Å; E73-K77 PolarHBondContact O-N 3.49Å; E73-K77 WeakPolarHBondContact OE1-CE 3.31Å; E73-K77 IonicContact OE1-NZ 3.68Å; E73-K77 PolarHBondContact OE1-NZ 3.14Å; D74-K77 PolarHBondContact O-N 3.46Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.46Å; K77-I81 WeakPolarHBondContact O-CG1 3.25Å
78	R	55.1	Low	60	Low	164 Å²	164	116.5 Å²	116.5	62%	0.619	62%	0.623	S	S	*	*	H	α-helix	trans	-71.3	-33.6	173.5	-83.1	-179.5	169.3	-161.6	-3.1	113.5	D74 L75 G76 F80 I81 Y82	D74-R78 PolarHBondContact O-N 3.27Å; L75-R78 CarbonylContact O-C 3.52Å; L75-R78 PolarHBondContact O-N 3.18Å; L75-R78 VanDerWaalsContact O-N 3.17Å; G76-R78 VanDerWaalsContact C-N 3.34Å; R78-F80 VanDerWaalsContact C-N 3.3Å; R78-I81 PolarHBondContact O-N 3.48Å; R78-I81 VanDerWaalsContact O-N 3.17Å; R78-Y82 PolarHBondContact O-N 3.48Å; R78-Y82 VanDerWaalsContact O-N 3.16Å
79	S	53.8	Low	58.9	Low	66 Å²	66	121 Å²	121	46%	0.462	64%	0.643	S	S	.	*	H	α-helix	trans	-71.2	-27.3	176.4	76.1	0	0	0	0	112.1	L75 G76 I81 Y82	L75-S79 PolarHBondContact O-N 3.4Å; G76-S79 PolarHBondContact O-N 3.45Å; G76-S79 PolarHBondContact O-OG 3.01Å; G76-S79 VanDerWaalsContact O-OG 3.05Å; S79-I81 VanDerWaalsContact C-N 3.27Å; S79-I81 PolarHBondContact O-N 3.39Å; S79-Y82 CarbonylContact O-C 3.47Å
80	F	50.8	Low	57.7	Low	190 Å²	190	126.1 Å²	126.1	83%	0.833	66%	0.663	S	S	*	*	H	α-helix	trans	-70.9	-23.2	171.1	-151	-93.6	0	0	0	112.8	G76 R78	G76-F80 PolarHBondContact O-N 3.37Å; G76-F80 VanDerWaalsContact O-N 3.11Å; R78-F80 VanDerWaalsContact C-N 3.3Å
81	I	54.2	Low	56.4	Low	130 Å²	130	127.3 Å²	127.3	67%	0.667	67%	0.67	S	S	*	*	H	α-helix	trans	-89.1	-19.5	178.4	-63	168.4	0	0	0	111.9	K77 R78 S79	K77-I81 WeakPolarHBondContact O-CG1 3.25Å; R78-I81 PolarHBondContact O-N 3.48Å; R78-I81 VanDerWaalsContact O-N 3.17Å; S79-I81 VanDerWaalsContact C-N 3.27Å; S79-I81 PolarHBondContact O-N 3.39Å
82	Y	48	Very low	55	Low	196 Å²	196	130 Å²	130	77%	0.769	68%	0.682	S	S	*	*	S	Bend	trans	-121.8	72.7	175.5	-71.5	-84.9	0	0	0	111.4	R78 S79	R78-Y82 PolarHBondContact O-N 3.48Å; R78-Y82 VanDerWaalsContact O-N 3.16Å; S79-Y82 CarbonylContact O-C 3.47Å
83	G	43.5	Very low	53.8	Low	64 Å²	64	136.5 Å²	136.5	66%	0.66	72%	0.717	S	S	*	*			trans	77.2	53.9	141.6	0	0	0	0	0	119.2	D85	G83-D85 PolarHBondContact O-N 3.49Å
84	V	46.2	Very low	52.7	Low	131 Å²	131	137.8 Å²	137.8	79%	0.794	73%	0.727	S	S	*	*	S	Bend	trans	-94	62.2	149.5	-170.6	0	0	0	0	108.2
85	D	44.2	Very low	51.7	Low	159 Å²	159	140.1 Å²	140.1	85%	0.85	74%	0.739	S	S	*	*	S	Bend	trans	-141.4	20.2	178.7	-125.5	6.4	0	0	0	111.9	G83	G83-D85 PolarHBondContact O-N 3.49Å
86	S	46.3	Very low	50.8	Low	103 Å²	103	143.8 Å²	143.8	72%	0.72	76%	0.759	S	S	*	*	S	Bend	trans	-146.1	26.9	-174	-149.2	0	0	0	0	115.2
87	L	50.4	Low	50	Low	181 Å²	181	150.1 Å²	150.1	95%	0.948	78%	0.781	S	S	*	*	S	Bend	trans	-128.1	13.9	176.3	-105.7	150	0	0	0	113.4
88	A	50	Low	49.3	Very low	92 Å²	92	152.1 Å²	152.1	76%	0.76	80%	0.798	S	S	*	*	S	Bend	trans	-115.4	-3.8	-179.7	0	0	0	0	0	114.9
89	D	52.9	Low	48.9	Very low	146 Å²	146	151.3 Å²	151.3	78%	0.781	81%	0.81	S	S	*	*	S	Bend	trans	-119.7	6.2	-170.7	-79.2	-18.8	0	0	0	115.6
90	D	52.4	Low	48.5	Very low	163 Å²	163	157.4 Å²	157.4	87%	0.872	84%	0.835	S	S	*	*	S	Bend	trans	-100.5	20.5	-179.2	-77	-8.7	0	0	0	114.2
91	E	49.1	Very low	48.4	Very low	178 Å²	178	154.9 Å²	154.9	83%	0.832	84%	0.835	S	S	*	*	S	Bend	trans	-122.3	19.7	179.6	-151.7	170.1	-174.6	0	0	115.6
92	Y	46.9	Very low	47.9	Very low	222 Å²	222	157 Å²	157	87%	0.871	85%	0.849	S	S	*	*			trans	-144.6	87.6	169.4	-84.6	-85.4	0	0	0	112.1
93	D	44.7	Very low	47.9	Very low	249 Å²	249	153.5 Å²	153.5	100%	1.332	86%	0.856	S	S	*	*			trans	-166.2	0	142.6	-101.3	-14.4	0	0	0	110.9

Retrieved 93 of 93 residues in 177 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).