A0A077Z5U3_TRITR Loading...

ATP-synt B domain containing protein

F(1)F(0) ATP synthase produces ATP from ADP in the presence of a proton or sodium gradient. F-type ATPases consist of two structural domains, F(1) containing the extramembraneous catalytic core and F(0) containing the membrane proton channel, linked together by a central stalk and a peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation.

AlphaFold DB , UniProt , Accession A0A077Z5U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 aa.

						>A0A077Z5U3_TRITR|A0A077Z5U3
MFVLFCMKYVWPPLMAAIEKRQKEIADGLASAERAHKDLDLAKASATDQLKKAKAEAQVIIEQANKRRSQILDEAKAEAEQERTKIVAQAQAEIEAERKRAREELRKQVAILAVAGAEKIIERSVDEAANSDIVDKLVAEL
					

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	76.3	Confident	84.6	Confident	209 Å²	209	124.9 Å²	124.9	100%	1.03	59%	0.594	S	S	*	*				0	-50.6	0	-159.3	-157.3	-92.2	0	0	112.3	V3 L4 F5	M1-V3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-F5 PolarHBondContact O-N 3.23Å
2	F	85.2	Confident	85.1	Confident	162 Å²	162	120.3 Å²	120.3	71%	0.711	58%	0.583	S	S	*	*	H	α-helix	trans	-51.8	-46.7	-178.5	-175.8	-103.3	0	0	0	114.9	L4 F5 C6	F2-L4 VanDerWaalsContact C-N 3.34Å; F2-L4 PolarHBondContact O-N 3.43Å; F2-F5 WeakPolarHBondContact O-CB 3.39Å; F2-F5 PolarHBondContact O-N 3.25Å; F2-F5 VanDerWaalsContact O-N 3.13Å; F2-C6 VanDerWaalsContact CZ-SG 3.59Å; F2-C6 PolarHBondContact O-N 3.03Å; F2-C6 PolarHBondContact O-SG 3.35Å
3	V	85.8	Confident	85.6	Confident	103 Å²	103	116.9 Å²	116.9	62%	0.624	58%	0.576	S	S	*	*	H	α-helix	trans	-59.2	-42.9	179.7	-179.5	0	0	0	0	112.3	M1 F5 C6 M7	M1-V3 PolarHBondContact O-N 3.3Å; V3-F5 VanDerWaalsContact C-N 3.34Å; V3-F5 PolarHBondContact O-N 3.15Å; V3-C6 PolarHBondContact O-N 3.12Å; V3-M7 WeakPolarHBondContact O-CB 3.39Å; V3-M7 WeakPolarHBondContact O-CG 3.26Å; V3-M7 PolarHBondContact O-N 3.45Å
4	L	84.6	Confident	85.9	Confident	127 Å²	127	115.7 Å²	115.7	67%	0.665	57%	0.572	S	S	*	*	H	α-helix	trans	-66	-37.7	177.6	-69.5	172.8	0	0	0	111.8	M1 F2 M7 K8	M1-L4 PolarHBondContact O-N 3.47Å; F2-L4 VanDerWaalsContact C-N 3.34Å; F2-L4 PolarHBondContact O-N 3.43Å; L4-M7 PolarHBondContact O-N 2.97Å; L4-K8 VanDerWaalsContact O-CB 3.29Å; L4-K8 WeakPolarHBondContact O-CB 3.32Å; L4-K8 PolarHBondContact O-N 3.09Å
5	F	86	Confident	86.3	Confident	111 Å²	111	115.8 Å²	115.8	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-64.5	-48.4	175.3	-179.1	-92.5	0	0	0	111.2	M1 F2 V3 M7 K8 Y9	M1-F5 PolarHBondContact O-N 3.23Å; F2-F5 WeakPolarHBondContact O-CB 3.39Å; F2-F5 PolarHBondContact O-N 3.25Å; F2-F5 VanDerWaalsContact O-N 3.13Å; V3-F5 VanDerWaalsContact C-N 3.34Å; V3-F5 PolarHBondContact O-N 3.15Å; F5-M7 VanDerWaalsContact C-N 3.32Å; F5-M7 PolarHBondContact O-N 3.13Å; F5-K8 PolarHBondContact O-N 3.25Å; F5-Y9 HydrophobicContact CD1-CD2 4.43Å; F5-Y9 AromaticContact CD2-CD2 3.26Å; F5-Y9 HydrophobicContact CD2-CD2 3.26Å; F5-Y9 AromaticContact CD2-CE2 3.48Å; F5-Y9 HydrophobicContact CD2-CE2 3.48Å; F5-Y9 VanDerWaalsContact CD2-CE2 3.48Å; F5-Y9 HydrophobicContact CD2-CG 4.27Å; F5-Y9 HydrophobicContact CE1-CD2 4.45Å; F5-Y9 AromaticContact CE2-CD2 3.28Å; F5-Y9 HydrophobicContact CE2-CD2 3.28Å; F5-Y9 AromaticContact CE2-CE2 3.52Å; F5-Y9 HydrophobicContact CE2-CE2 3.52Å; F5-Y9 AromaticContact CE2-CG 3.92Å; F5-Y9 HydrophobicContact CE2-CG 3.92Å; F5-Y9 AromaticContact CG-CD2 3.87Å; F5-Y9 HydrophobicContact CG-CD2 3.87Å; F5-Y9 HydrophobicContact CG-CE2 4.44Å; F5-Y9 AromaticContact CZ-CD2 3.92Å; F5-Y9 HydrophobicContact CZ-CD2 3.92Å; F5-Y9 HydrophobicContact CZ-CG 4.15Å; F5-Y9 WeakPolarHBondContact O-CB 3.46Å; F5-Y9 WeakPolarHBondContact O-CD2 3.4Å; F5-Y9 PolarHBondContact O-N 3.39Å
6	C	83.3	Confident	86.7	Confident	37 Å²	37	111.8 Å²	111.8	25%	0.25	56%	0.563	C	S	.	*	I	π-helix	trans	-59.3	-42.6	175.2	-67.3	0	0	0	0	111.7	F2 V3 K8 V10 W11	F2-C6 VanDerWaalsContact CZ-SG 3.59Å; F2-C6 PolarHBondContact O-N 3.03Å; F2-C6 PolarHBondContact O-SG 3.35Å; V3-C6 PolarHBondContact O-N 3.12Å; C6-K8 PolarHBondContact O-N 3.1Å; C6-V10 WeakPolarHBondContact O-CA 3.36Å; C6-V10 VanDerWaalsContact O-CB 3.32Å; C6-V10 WeakPolarHBondContact O-CB 3.45Å; C6-V10 PolarHBondContact O-N 3.44Å; C6-W11 PolarHBondContact O-N 3.39Å
7	M	84.3	Confident	87.1	Confident	100 Å²	100	108.6 Å²	108.6	49%	0.493	56%	0.558	S	S	.	*	I	π-helix	trans	-62.2	-41	175.4	-77.4	-171.8	78.5	0	0	113.3	V3 L4 F5 W11	V3-M7 WeakPolarHBondContact O-CB 3.39Å; V3-M7 WeakPolarHBondContact O-CG 3.26Å; V3-M7 PolarHBondContact O-N 3.45Å; L4-M7 PolarHBondContact O-N 2.97Å; F5-M7 VanDerWaalsContact C-N 3.32Å; F5-M7 PolarHBondContact O-N 3.13Å; M7-W11 HydrophobicContact CB-CE3 4.29Å; M7-W11 HydrophobicContact CE-CE3 4.5Å; M7-W11 HydrophobicContact CE-CZ3 4.21Å; M7-W11 HydrophobicContact CG-CE3 3.69Å; M7-W11 HydrophobicContact CG-CZ3 3.73Å; M7-W11 VanDerWaalsContact O-CB 3.31Å; M7-W11 WeakPolarHBondContact O-CB 3.43Å; M7-W11 HydrophobicContact SD-CZ3 4.46Å
8	K	84.4	Confident	87.5	Confident	154 Å²	154	107.4 Å²	107.4	67%	0.67	55%	0.552	S	S	*	*	I	π-helix	trans	-79.1	-35	-175.9	-164.5	83.7	139	81.1	0	113.1	L4 F5 C6 P12	L4-K8 VanDerWaalsContact O-CB 3.29Å; L4-K8 WeakPolarHBondContact O-CB 3.32Å; L4-K8 PolarHBondContact O-N 3.09Å; F5-K8 PolarHBondContact O-N 3.25Å; C6-K8 PolarHBondContact O-N 3.1Å; K8-P12 WeakPolarHBondContact O-CD 3.46Å; K8-P12 VanDerWaalsContact O-CG 3.26Å; K8-P12 WeakPolarHBondContact O-CG 3.31Å
9	Y	88.1	Confident	87.8	Confident	146 Å²	146	108.8 Å²	108.8	57%	0.573	56%	0.556	S	S	*	*	I	π-helix	trans	-112.1	-30.6	-168.7	-68.8	-80.3	0	0	0	114.3	F5 P13	F5-Y9 HydrophobicContact CD1-CD2 4.43Å; F5-Y9 AromaticContact CD2-CD2 3.26Å; F5-Y9 HydrophobicContact CD2-CD2 3.26Å; F5-Y9 AromaticContact CD2-CE2 3.48Å; F5-Y9 HydrophobicContact CD2-CE2 3.48Å; F5-Y9 VanDerWaalsContact CD2-CE2 3.48Å; F5-Y9 HydrophobicContact CD2-CG 4.27Å; F5-Y9 HydrophobicContact CE1-CD2 4.45Å; F5-Y9 AromaticContact CE2-CD2 3.28Å; F5-Y9 HydrophobicContact CE2-CD2 3.28Å; F5-Y9 AromaticContact CE2-CE2 3.52Å; F5-Y9 HydrophobicContact CE2-CE2 3.52Å; F5-Y9 AromaticContact CE2-CG 3.92Å; F5-Y9 HydrophobicContact CE2-CG 3.92Å; F5-Y9 AromaticContact CG-CD2 3.87Å; F5-Y9 HydrophobicContact CG-CD2 3.87Å; F5-Y9 HydrophobicContact CG-CE2 4.44Å; F5-Y9 AromaticContact CZ-CD2 3.92Å; F5-Y9 HydrophobicContact CZ-CD2 3.92Å; F5-Y9 HydrophobicContact CZ-CG 4.15Å; F5-Y9 WeakPolarHBondContact O-CB 3.46Å; F5-Y9 WeakPolarHBondContact O-CD2 3.4Å; F5-Y9 PolarHBondContact O-N 3.39Å; Y9-P13 WeakPolarHBondContact O-CD 3.4Å; Y9-P13 WeakPolarHBondContact O-CG 3.5Å
10	V	86.4	Confident	88.2	Confident	81 Å²	81	110.1 Å²	110.1	49%	0.491	56%	0.557	S	S	.	*	I	π-helix	trans	-94.6	-37.3	-177.8	-177.3	0	0	0	0	111.4	C6 P13 L14	C6-V10 WeakPolarHBondContact O-CA 3.36Å; C6-V10 VanDerWaalsContact O-CB 3.32Å; C6-V10 WeakPolarHBondContact O-CB 3.45Å; C6-V10 PolarHBondContact O-N 3.44Å; V10-P13 VanDerWaalsContact O-CD 3.25Å; V10-P13 WeakPolarHBondContact O-CD 3.36Å; V10-P13 VanDerWaalsContact O-CG 3.29Å; V10-P13 WeakPolarHBondContact O-CG 3.24Å; V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 PolarHBondContact O-N 2.65Å
11	W	86.7	Confident	88.5	Confident	144 Å²	144	113.2 Å²	113.2	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-65.9	-42.7	-178.4	-136.4	-45.6	0	0	0	113.7	C6 M7 L14 M15	C6-W11 PolarHBondContact O-N 3.39Å; M7-W11 HydrophobicContact CB-CE3 4.29Å; M7-W11 HydrophobicContact CE-CE3 4.5Å; M7-W11 HydrophobicContact CE-CZ3 4.21Å; M7-W11 HydrophobicContact CG-CE3 3.69Å; M7-W11 HydrophobicContact CG-CZ3 3.73Å; M7-W11 VanDerWaalsContact O-CB 3.31Å; M7-W11 WeakPolarHBondContact O-CB 3.43Å; M7-W11 HydrophobicContact SD-CZ3 4.46Å; W11-L14 PolarHBondContact O-N 3.35Å; W11-M15 WeakPolarHBondContact O-CB 3.31Å; W11-M15 WeakPolarHBondContact O-CG 3.41Å; W11-M15 PolarHBondContact O-N 3.5Å
12	P	90.6	Very high	89.3	Confident	70 Å²	70	109.3 Å²	109.3	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-61.2	-47.7	178	-25.7	36.9	0	0	0	115.1	K8 L14 M15 A16	K8-P12 WeakPolarHBondContact O-CD 3.46Å; K8-P12 VanDerWaalsContact O-CG 3.26Å; K8-P12 WeakPolarHBondContact O-CG 3.31Å; P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 3.17Å; P12-M15 PolarHBondContact O-N 2.87Å; P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.42Å; P12-A16 PolarHBondContact O-N 3.14Å
13	P	91.7	Very high	89.8	Confident	76 Å²	76	108 Å²	108	49%	0.494	54%	0.535	S	S	.	.	H	α-helix	trans	-67.3	-31.5	177.4	25.2	-33.4	0	0	0	112.6	Y9 V10 A17	Y9-P13 WeakPolarHBondContact O-CD 3.4Å; Y9-P13 WeakPolarHBondContact O-CG 3.5Å; V10-P13 VanDerWaalsContact O-CD 3.25Å; V10-P13 WeakPolarHBondContact O-CD 3.36Å; V10-P13 VanDerWaalsContact O-CG 3.29Å; V10-P13 WeakPolarHBondContact O-CG 3.24Å; P13-A17 WeakPolarHBondContact O-CB 3.37Å; P13-A17 PolarHBondContact O-N 2.76Å
14	L	89.3	Confident	90.3	Very high	100 Å²	100	108.5 Å²	108.5	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-47.7	175.1	-178.8	63.4	0	0	0	111.7	V10 W11 P12 A17 I18	V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 PolarHBondContact O-N 2.65Å; W11-L14 PolarHBondContact O-N 3.35Å; P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 3.17Å; L14-A17 PolarHBondContact O-N 3.12Å; L14-I18 HydrophobicContact CG-CD1 4.41Å; L14-I18 WeakPolarHBondContact O-CG1 3.26Å; L14-I18 PolarHBondContact O-N 3.48Å; L14-I18 VanDerWaalsContact O-N 3.08Å
15	M	91.5	Very high	90.8	Very high	117 Å²	117	107.5 Å²	107.5	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-61	-44.5	174.6	-76.9	-96.6	-76	0	0	111.2	W11 P12 A17 I18 E19	W11-M15 WeakPolarHBondContact O-CB 3.31Å; W11-M15 WeakPolarHBondContact O-CG 3.41Å; W11-M15 PolarHBondContact O-N 3.5Å; P12-M15 PolarHBondContact O-N 2.87Å; M15-A17 VanDerWaalsContact C-N 3.3Å; M15-A17 PolarHBondContact O-N 3.02Å; M15-I18 PolarHBondContact O-N 3.11Å; M15-E19 WeakPolarHBondContact O-CB 3.45Å; M15-E19 PolarHBondContact O-N 3.48Å
16	A	93.3	Very high	91.2	Very high	51 Å²	51	104.8 Å²	104.8	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-37.2	177.3	0	0	0	0	0	112.4	P12 K20	P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.42Å; P12-A16 PolarHBondContact O-N 3.14Å; A16-K20 WeakPolarHBondContact O-CB 3.44Å; A16-K20 PolarHBondContact O-N 2.82Å
17	A	93.4	Very high	91.8	Very high	59 Å²	59	107.4 Å²	107.4	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-40.3	175.5	0	0	0	0	0	112.4	P13 L14 M15 R21	P13-A17 WeakPolarHBondContact O-CB 3.37Å; P13-A17 PolarHBondContact O-N 2.76Å; L14-A17 PolarHBondContact O-N 3.12Å; M15-A17 VanDerWaalsContact C-N 3.3Å; M15-A17 PolarHBondContact O-N 3.02Å; A17-R21 WeakPolarHBondContact O-CB 3.37Å; A17-R21 PolarHBondContact O-N 2.89Å; A17-R21 VanDerWaalsContact O-N 3.09Å
18	I	93.4	Very high	92.3	Very high	87 Å²	87	104.5 Å²	104.5	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-48	175.4	-67	169.5	0	0	0	110.3	L14 M15 K20 R21 Q22	L14-I18 HydrophobicContact CG-CD1 4.41Å; L14-I18 WeakPolarHBondContact O-CG1 3.26Å; L14-I18 PolarHBondContact O-N 3.48Å; L14-I18 VanDerWaalsContact O-N 3.08Å; M15-I18 PolarHBondContact O-N 3.11Å; I18-K20 PolarHBondContact O-N 3.38Å; I18-R21 PolarHBondContact O-N 3.46Å; I18-Q22 HydrophobicContact CG2-CG 4.37Å; I18-Q22 WeakPolarHBondContact O-CG 3.42Å; I18-Q22 PolarHBondContact O-N 3.39Å
19	E	94.6	Very high	92.9	Very high	133 Å²	133	102.9 Å²	102.9	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-62.5	-42.5	179.5	-172.4	175.5	-170	0	0	111.4	M15 R21 Q22 K23	M15-E19 WeakPolarHBondContact O-CB 3.45Å; M15-E19 PolarHBondContact O-N 3.48Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3Å; E19-Q22 PolarHBondContact O-N 3.47Å; E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 PolarHBondContact O-N 2.94Å
20	K	95.3	Very high	93.2	Very high	134 Å²	134	97.9 Å²	97.9	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-57.7	-46.6	173.6	-176.6	179.4	177.4	-175.3	0	111.5	A16 I18 K23 E24	A16-K20 WeakPolarHBondContact O-CB 3.44Å; A16-K20 PolarHBondContact O-N 2.82Å; I18-K20 PolarHBondContact O-N 3.38Å; K20-K23 PolarHBondContact O-N 2.98Å; K20-E24 WeakPolarHBondContact CE-OE1 3.29Å; K20-E24 WeakPolarHBondContact O-CG 3.39Å; K20-E24 PolarHBondContact O-N 2.9Å
21	R	93.4	Very high	93.7	Very high	176 Å²	176	97.1 Å²	97.1	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-67.7	-40.1	179.1	-171.5	172.9	-178.2	170.6	0.7	112.3	A17 I18 E19 K23 E24 I25	A17-R21 WeakPolarHBondContact O-CB 3.37Å; A17-R21 PolarHBondContact O-N 2.89Å; A17-R21 VanDerWaalsContact O-N 3.09Å; I18-R21 PolarHBondContact O-N 3.46Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3Å; R21-K23 VanDerWaalsContact C-N 3.32Å; R21-E24 PolarHBondContact O-N 3.38Å; R21-I25 HydrophobicContact CG-CD1 4.07Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.47Å; R21-I25 PolarHBondContact O-N 3.25Å
22	Q	94.9	Very high	94.1	Very high	128 Å²	128	92.4 Å²	92.4	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-61.1	-43.3	173.9	-76.7	-177.5	-3.8	0	0	111.1	I18 E19 I25 A26	I18-Q22 HydrophobicContact CG2-CG 4.37Å; I18-Q22 WeakPolarHBondContact O-CG 3.42Å; I18-Q22 PolarHBondContact O-N 3.39Å; E19-Q22 PolarHBondContact O-N 3.47Å; Q22-I25 PolarHBondContact O-N 3.44Å; Q22-A26 VanDerWaalsContact O-CB 3.29Å; Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 3.39Å
23	K	95.8	Very high	94.4	Very high	133 Å²	133	95.6 Å²	95.6	58%	0.578	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-47	176.4	-173.8	176.7	-179	178.8	0	112.2	E19 K20 R21 I25 A26 D27	E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 PolarHBondContact O-N 2.94Å; K20-K23 PolarHBondContact O-N 2.98Å; R21-K23 VanDerWaalsContact C-N 3.32Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 3.19Å; K23-A26 PolarHBondContact O-N 3.12Å; K23-D27 WeakPolarHBondContact CG-OD2 3.49Å; K23-D27 VanDerWaalsContact O-CB 3.29Å; K23-D27 WeakPolarHBondContact O-CB 3.34Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 3.43Å
24	E	95.5	Very high	94.6	Very high	114 Å²	114	99.4 Å²	99.4	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-40.7	177.2	-75.4	173.1	178.4	0	0	112.3	K20 R21 G28	K20-E24 WeakPolarHBondContact CE-OE1 3.29Å; K20-E24 WeakPolarHBondContact O-CG 3.39Å; K20-E24 PolarHBondContact O-N 2.9Å; R21-E24 PolarHBondContact O-N 3.38Å; E24-G28 PolarHBondContact O-N 2.91Å
25	I	94.6	Very high	94.9	Very high	107 Å²	107	97.4 Å²	97.4	55%	0.549	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-45.2	175.9	-67.4	167.6	0	0	0	110.8	R21 Q22 K23 G28 L29	R21-I25 HydrophobicContact CG-CD1 4.07Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.47Å; R21-I25 PolarHBondContact O-N 3.25Å; Q22-I25 PolarHBondContact O-N 3.44Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 3.19Å; I25-G28 PolarHBondContact O-N 2.88Å; I25-L29 WeakPolarHBondContact O-CB 3.5Å; I25-L29 PolarHBondContact O-N 3.11Å
26	A	95.1	Very high	95.2	Very high	54 Å²	54	97.8 Å²	97.8	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-45.6	179.3	0	0	0	0	0	111.8	Q22 K23 G28 L29 A30	Q22-A26 VanDerWaalsContact O-CB 3.29Å; Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 3.39Å; K23-A26 PolarHBondContact O-N 3.12Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.21Å; A26-L29 PolarHBondContact O-N 3Å; A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.36Å
27	D	96.1	Very high	95.3	Very high	91 Å²	91	102 Å²	102	49%	0.487	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.7	-72.4	-17.4	0	0	0	110.8	K23 S31	K23-D27 WeakPolarHBondContact CG-OD2 3.49Å; K23-D27 VanDerWaalsContact O-CB 3.29Å; K23-D27 WeakPolarHBondContact O-CB 3.34Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 3.43Å; D27-S31 WeakPolarHBondContact O-CB 3.41Å; D27-S31 PolarHBondContact O-N 3.42Å
28	G	95.1	Very high	95.5	Very high	40 Å²	40	104 Å²	104	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-46.1	175.2	0	0	0	0	0	112.9	E24 I25 A26 S31 A32	E24-G28 PolarHBondContact O-N 2.91Å; I25-G28 PolarHBondContact O-N 2.88Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.21Å; G28-S31 PolarHBondContact O-N 2.83Å; G28-A32 WeakPolarHBondContact O-CB 3.43Å; G28-A32 PolarHBondContact O-N 3.46Å
29	L	95.5	Very high	95.7	Very high	120 Å²	120	103.9 Å²	103.9	63%	0.628	53%	0.53	S	S	*	.	H	α-helix	trans	-65.2	-45.5	177.4	-175.7	64.7	0	0	0	111.3	I25 A26 S31 A32 E33	I25-L29 WeakPolarHBondContact O-CB 3.5Å; I25-L29 PolarHBondContact O-N 3.11Å; A26-L29 PolarHBondContact O-N 3Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.28Å; L29-A32 PolarHBondContact O-N 3.26Å; L29-E33 WeakPolarHBondContact O-CB 3.44Å; L29-E33 PolarHBondContact O-N 2.86Å
30	A	96	Very high	95.8	Very high	40 Å²	40	102.1 Å²	102.1	33%	0.331	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-31.2	176.9	0	0	0	0	0	112.5	A26 R34	A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.36Å; A30-R34 WeakPolarHBondContact O-CB 3.24Å; A30-R34 VanDerWaalsContact O-CG 3.26Å; A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 3.21Å; A30-R34 VanDerWaalsContact O-N 3.17Å; A30-R34 PolarHBondContact O-NE 2.93Å
31	S	95.7	Very high	95.9	Very high	65 Å²	65	100.6 Å²	100.6	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-69.2	-45.2	172	-171.6	0	0	0	0	111.3	D27 G28 L29 R34 A35	D27-S31 WeakPolarHBondContact O-CB 3.41Å; D27-S31 PolarHBondContact O-N 3.42Å; G28-S31 PolarHBondContact O-N 2.83Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.28Å; S31-R34 PolarHBondContact O-N 2.97Å; S31-A35 WeakPolarHBondContact O-CB 3.44Å; S31-A35 PolarHBondContact O-N 2.86Å
32	A	95.6	Very high	96.1	Very high	45 Å²	45	94.9 Å²	94.9	37%	0.372	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-45.1	177.5	0	0	0	0	0	112	G28 L29 R34 A35 H36	G28-A32 WeakPolarHBondContact O-CB 3.43Å; G28-A32 PolarHBondContact O-N 3.46Å; L29-A32 PolarHBondContact O-N 3.26Å; A32-R34 PolarHBondContact O-N 3.36Å; A32-A35 PolarHBondContact O-N 3.45Å; A32-H36 PolarHBondContact O-CD2 2.93Å; A32-H36 PolarHBondContact O-N 3.37Å
33	E	96.3	Very high	96.2	Very high	138 Å²	138	94.3 Å²	94.3	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-44.1	176.7	-173.6	179.2	-179.6	0	0	111.7	L29 H36 K37	L29-E33 WeakPolarHBondContact O-CB 3.44Å; L29-E33 PolarHBondContact O-N 2.86Å; E33-H36 PolarHBondContact O-N 2.96Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å
34	R	96.6	Very high	96.3	Very high	156 Å²	156	90.8 Å²	90.8	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-46.3	173.8	-78.1	-177.5	-70.4	167.5	-3.2	111.9	A30 S31 A32 H36 K37 D38	A30-R34 WeakPolarHBondContact O-CB 3.24Å; A30-R34 VanDerWaalsContact O-CG 3.26Å; A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 3.21Å; A30-R34 VanDerWaalsContact O-N 3.17Å; A30-R34 PolarHBondContact O-NE 2.93Å; S31-R34 PolarHBondContact O-N 2.97Å; A32-R34 PolarHBondContact O-N 3.36Å; R34-H36 VanDerWaalsContact C-N 3.32Å; R34-H36 PolarHBondContact O-N 3.31Å; R34-K37 PolarHBondContact O-N 3.45Å; R34-D38 WeakPolarHBondContact O-CB 3.37Å; R34-D38 VanDerWaalsContact O-CG 3.23Å; R34-D38 PolarHBondContact O-N 3.31Å
35	A	96	Very high	96.4	Very high	57 Å²	57	88 Å²	88	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-40.1	178.2	0	0	0	0	0	112.2	S31 A32 L39	S31-A35 WeakPolarHBondContact O-CB 3.44Å; S31-A35 PolarHBondContact O-N 2.86Å; A32-A35 PolarHBondContact O-N 3.45Å; A35-L39 VanDerWaalsContact O-CB 3.28Å; A35-L39 WeakPolarHBondContact O-CB 3.41Å; A35-L39 PolarHBondContact O-N 3.22Å
36	H	96.3	Very high	96.5	Very high	125 Å²	125	85.1 Å²	85.1	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-46.5	173.7	-84	-67.3	0	0	0	111.9	A32 E33 R34 L39 D40	A32-H36 PolarHBondContact O-CD2 2.93Å; A32-H36 PolarHBondContact O-N 3.37Å; E33-H36 PolarHBondContact O-N 2.96Å; R34-H36 VanDerWaalsContact C-N 3.32Å; R34-H36 PolarHBondContact O-N 3.31Å; H36-L39 WeakPolarHBondContact O-CB 3.3Å; H36-L39 PolarHBondContact O-N 3Å; H36-D40 PolarHBondContact O-N 2.89Å
37	K	97.1	Very high	96.7	Very high	139 Å²	139	87 Å²	87	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-63	-44	178.2	-172.1	179.3	-179.5	179.7	0	112.1	E33 R34 L39 D40 L41	E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å; R34-K37 PolarHBondContact O-N 3.45Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.18Å; K37-D40 PolarHBondContact O-N 3.43Å; K37-L41 HydrophobicContact CG-CD1 4.22Å; K37-L41 WeakPolarHBondContact O-CB 3.39Å; K37-L41 VanDerWaalsContact O-CG 3.28Å; K37-L41 WeakPolarHBondContact O-CG 3.44Å; K37-L41 PolarHBondContact O-N 3.36Å
38	D	97	Very high	96.8	Very high	102 Å²	102	86.1 Å²	86.1	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-38.2	178	-69.4	-18	0	0	0	111	R34 A42	R34-D38 WeakPolarHBondContact O-CB 3.37Å; R34-D38 VanDerWaalsContact O-CG 3.23Å; R34-D38 PolarHBondContact O-N 3.31Å; D38-A42 VanDerWaalsContact O-CB 3.24Å; D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 3.3Å
39	L	96.4	Very high	96.9	Very high	84 Å²	84	90 Å²	90	44%	0.44	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-45.2	173.7	179.2	64.3	0	0	0	112	A35 H36 K37 A42 K43	A35-L39 VanDerWaalsContact O-CB 3.28Å; A35-L39 WeakPolarHBondContact O-CB 3.41Å; A35-L39 PolarHBondContact O-N 3.22Å; H36-L39 WeakPolarHBondContact O-CB 3.3Å; H36-L39 PolarHBondContact O-N 3Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.18Å; L39-A42 PolarHBondContact O-N 3.02Å; L39-K43 HydrophobicContact CG-CD 4.35Å; L39-K43 WeakPolarHBondContact O-CB 3.2Å; L39-K43 WeakPolarHBondContact O-CG 3.44Å; L39-K43 PolarHBondContact O-N 2.92Å
40	D	97.4	Very high	97	Very high	97 Å²	97	89.7 Å²	89.7	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-40	179.4	-72.2	-18.8	0	0	0	111.6	H36 K37 K43 A44	H36-D40 PolarHBondContact O-N 2.89Å; K37-D40 PolarHBondContact O-N 3.43Å; D40-K43 PolarHBondContact O-N 3.27Å; D40-A44 WeakPolarHBondContact O-CB 3.3Å; D40-A44 PolarHBondContact O-N 2.96Å
41	L	97.4	Very high	97.1	Very high	102 Å²	102	95 Å²	95	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-43.8	172.7	-72.9	172.9	0	0	0	111.8	K37 A44 S45	K37-L41 HydrophobicContact CG-CD1 4.22Å; K37-L41 WeakPolarHBondContact O-CB 3.39Å; K37-L41 VanDerWaalsContact O-CG 3.28Å; K37-L41 WeakPolarHBondContact O-CG 3.44Å; K37-L41 PolarHBondContact O-N 3.36Å; L41-A44 PolarHBondContact O-N 2.97Å; L41-S45 VanDerWaalsContact O-CB 3.3Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.38Å
42	A	97.1	Very high	97.2	Very high	55 Å²	55	97.3 Å²	97.3	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176.7	0	0	0	0	0	111.7	D38 L39 S45 A46	D38-A42 VanDerWaalsContact O-CB 3.24Å; D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 3.3Å; L39-A42 PolarHBondContact O-N 3.02Å; A42-S45 PolarHBondContact O-N 2.91Å; A42-A46 VanDerWaalsContact O-CB 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.28Å; A42-A46 PolarHBondContact O-N 2.97Å
43	K	97.6	Very high	97.3	Very high	116 Å²	116	97.7 Å²	97.7	50%	0.504	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-43.3	175	-75.4	174.6	-178.1	170.9	0	112.3	L39 D40 A46 T47	L39-K43 HydrophobicContact CG-CD 4.35Å; L39-K43 WeakPolarHBondContact O-CB 3.2Å; L39-K43 WeakPolarHBondContact O-CG 3.44Å; L39-K43 PolarHBondContact O-N 2.92Å; D40-K43 PolarHBondContact O-N 3.27Å; K43-A46 PolarHBondContact O-N 2.98Å; K43-T47 WeakPolarHBondContact O-CB 3.36Å; K43-T47 PolarHBondContact O-N 3.35Å; K43-T47 PolarHBondContact O-OG1 3.42Å
44	A	97.7	Very high	97.4	Very high	59 Å²	59	98.7 Å²	98.7	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-46.3	176.8	0	0	0	0	0	111	D40 L41 T47 D48	D40-A44 WeakPolarHBondContact O-CB 3.3Å; D40-A44 PolarHBondContact O-N 2.96Å; L41-A44 PolarHBondContact O-N 2.97Å; A44-T47 PolarHBondContact O-N 3.24Å; A44-D48 WeakPolarHBondContact O-CB 3.43Å; A44-D48 PolarHBondContact O-N 3.26Å
45	S	97.6	Very high	97.5	Very high	57 Å²	57	93.9 Å²	93.9	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-46	176.5	-175.1	0	0	0	0	111.9	L41 A42 T47 D48 Q49	L41-S45 VanDerWaalsContact O-CB 3.3Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.38Å; A42-S45 PolarHBondContact O-N 2.91Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 2.85Å; S45-D48 PolarHBondContact O-N 2.86Å; S45-Q49 WeakPolarHBondContact O-CB 3.37Å; S45-Q49 VanDerWaalsContact O-CG 3.32Å; S45-Q49 WeakPolarHBondContact O-CG 3.19Å; S45-Q49 PolarHBondContact O-N 3.3Å
46	A	97.6	Very high	97.6	Very high	46 Å²	46	97.1 Å²	97.1	38%	0.38	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-40.4	176.9	0	0	0	0	0	112	A42 K43 Q49 L50	A42-A46 VanDerWaalsContact O-CB 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.28Å; A42-A46 PolarHBondContact O-N 2.97Å; K43-A46 PolarHBondContact O-N 2.98Å; A46-Q49 PolarHBondContact O-N 3.39Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 VanDerWaalsContact O-CG 3.3Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.89Å
47	T	97.7	Very high	97.6	Very high	94 Å²	94	93.4 Å²	93.4	58%	0.577	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-41.6	177.3	-57.4	0	0	0	0	111.5	K43 A44 S45 L50 K51	K43-T47 WeakPolarHBondContact O-CB 3.36Å; K43-T47 PolarHBondContact O-N 3.35Å; K43-T47 PolarHBondContact O-OG1 3.42Å; A44-T47 PolarHBondContact O-N 3.24Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 2.85Å; T47-L50 PolarHBondContact O-N 3.41Å; T47-K51 WeakPolarHBondContact O-CB 3.47Å; T47-K51 PolarHBondContact O-N 3.17Å
48	D	98.2	Very high	97.7	Very high	71 Å²	71	91.4 Å²	91.4	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-44.6	175.2	-178.5	63.3	0	0	0	111.7	A44 S45 L50 K51 K52	A44-D48 WeakPolarHBondContact O-CB 3.43Å; A44-D48 PolarHBondContact O-N 3.26Å; S45-D48 PolarHBondContact O-N 2.86Å; D48-L50 PolarHBondContact O-N 2.97Å; D48-K51 PolarHBondContact O-N 3.01Å; D48-K52 WeakPolarHBondContact O-CG 3.37Å; D48-K52 PolarHBondContact O-N 3.3Å; D48-K52 WeakPolarHBondContact OD2-CE 3.27Å; D48-K52 IonicContact OD2-NZ 2.75Å; D48-K52 PolarHBondContact OD2-NZ 2.92Å
49	Q	97.8	Very high	97.8	Very high	122 Å²	122	89.9 Å²	89.9	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-60.8	-43.5	175.1	-74	179	2.4	0	0	112	S45 A46 K51 K52 A53	S45-Q49 WeakPolarHBondContact O-CB 3.37Å; S45-Q49 VanDerWaalsContact O-CG 3.32Å; S45-Q49 WeakPolarHBondContact O-CG 3.19Å; S45-Q49 PolarHBondContact O-N 3.3Å; A46-Q49 PolarHBondContact O-N 3.39Å; Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.93Å; Q49-K52 PolarHBondContact O-N 3.47Å; Q49-A53 VanDerWaalsContact O-CB 3.31Å; Q49-A53 WeakPolarHBondContact O-CB 3.5Å; Q49-A53 PolarHBondContact O-N 3.36Å
50	L	97.8	Very high	97.8	Very high	114 Å²	114	91 Å²	91	60%	0.597	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-39.4	174.9	-76	172.4	0	0	0	112	A46 T47 D48 K54	A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 VanDerWaalsContact O-CG 3.3Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.89Å; T47-L50 PolarHBondContact O-N 3.41Å; D48-L50 PolarHBondContact O-N 2.97Å; L50-K54 WeakPolarHBondContact O-CB 3.26Å; L50-K54 VanDerWaalsContact O-CG 3.32Å; L50-K54 WeakPolarHBondContact O-CG 3.47Å; L50-K54 PolarHBondContact O-N 3.43Å
51	K	98.2	Very high	97.9	Very high	152 Å²	152	90.5 Å²	90.5	66%	0.661	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-44.3	176.7	-174.4	178.7	178.1	-177.7	0	111.4	T47 D48 Q49 K54 A55	T47-K51 WeakPolarHBondContact O-CB 3.47Å; T47-K51 PolarHBondContact O-N 3.17Å; D48-K51 PolarHBondContact O-N 3.01Å; Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.93Å; K51-K54 PolarHBondContact O-N 3.38Å; K51-A55 PolarHBondContact O-N 3.44Å
52	K	98	Very high	97.9	Very high	112 Å²	112	90.9 Å²	90.9	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-48.2	175.1	-74.4	172.2	175.7	163.8	0	111.4	D48 Q49 K54 A55 E56	D48-K52 WeakPolarHBondContact O-CG 3.37Å; D48-K52 PolarHBondContact O-N 3.3Å; D48-K52 WeakPolarHBondContact OD2-CE 3.27Å; D48-K52 IonicContact OD2-NZ 2.75Å; D48-K52 PolarHBondContact OD2-NZ 2.92Å; Q49-K52 PolarHBondContact O-N 3.47Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K52-K54 PolarHBondContact O-N 3.49Å; K52-A55 WeakPolarHBondContact O-CB 3.48Å; K52-A55 PolarHBondContact O-N 2.93Å; K52-A55 VanDerWaalsContact O-N 3.08Å; K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 2.9Å
53	A	97.7	Very high	97.9	Very high	54 Å²	54	94.2 Å²	94.2	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-59	-40.9	177	0	0	0	0	0	112.3	Q49 A57	Q49-A53 VanDerWaalsContact O-CB 3.31Å; Q49-A53 WeakPolarHBondContact O-CB 3.5Å; Q49-A53 PolarHBondContact O-N 3.36Å; A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 3.3Å
54	K	98.1	Very high	98	Very high	159 Å²	159	91.3 Å²	91.3	69%	0.691	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-42.1	173.8	-75.8	-179.2	-179.2	-174.7	0	112.5	L50 K51 K52 A57 Q58	L50-K54 WeakPolarHBondContact O-CB 3.26Å; L50-K54 VanDerWaalsContact O-CG 3.32Å; L50-K54 WeakPolarHBondContact O-CG 3.47Å; L50-K54 PolarHBondContact O-N 3.43Å; K51-K54 PolarHBondContact O-N 3.38Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K52-K54 PolarHBondContact O-N 3.49Å; K54-A57 PolarHBondContact O-N 2.92Å; K54-Q58 WeakPolarHBondContact O-CB 3.24Å; K54-Q58 PolarHBondContact O-N 3.46Å
55	A	98.3	Very high	98	Very high	55 Å²	55	93 Å²	93	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-44.4	177.4	0	0	0	0	0	111.6	K51 K52 Q58 V59	K51-A55 PolarHBondContact O-N 3.44Å; K52-A55 WeakPolarHBondContact O-CB 3.48Å; K52-A55 PolarHBondContact O-N 2.93Å; K52-A55 VanDerWaalsContact O-N 3.08Å; A55-Q58 PolarHBondContact O-N 3.43Å; A55-V59 WeakPolarHBondContact O-CG2 3.38Å; A55-V59 PolarHBondContact O-N 2.94Å
56	E	98.1	Very high	98	Very high	125 Å²	125	97 Å²	97	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-62.2	-44	175.1	-72.5	172.8	-164.1	0	0	111.6	K52 Q58 V59 I60	K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 2.9Å; E56-Q58 VanDerWaalsContact C-N 3.32Å; E56-Q58 PolarHBondContact O-N 3.39Å; E56-V59 PolarHBondContact O-N 3.44Å; E56-I60 VanDerWaalsContact O-CG1 3.29Å; E56-I60 WeakPolarHBondContact O-CG1 3.24Å; E56-I60 PolarHBondContact O-N 2.82Å
57	A	97.8	Very high	98	Very high	46 Å²	46	101.2 Å²	101.2	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-42.6	175.2	0	0	0	0	0	112	A53 K54 I60 I61	A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 3.3Å; K54-A57 PolarHBondContact O-N 2.92Å; A57-I60 PolarHBondContact O-N 2.89Å; A57-I61 VanDerWaalsContact O-CG1 3.3Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.38Å
58	Q	98.1	Very high	98	Very high	97 Å²	97	105.4 Å²	105.4	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-62	-44.1	175.7	-177.2	61.8	26.4	0	0	111.4	K54 A55 E56 I60 I61 E62	K54-Q58 WeakPolarHBondContact O-CB 3.24Å; K54-Q58 PolarHBondContact O-N 3.46Å; A55-Q58 PolarHBondContact O-N 3.43Å; E56-Q58 VanDerWaalsContact C-N 3.32Å; E56-Q58 PolarHBondContact O-N 3.39Å; Q58-I60 VanDerWaalsContact C-N 3.35Å; Q58-I60 PolarHBondContact O-N 2.89Å; Q58-I61 PolarHBondContact O-N 3.22Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.38Å; Q58-E62 PolarHBondContact NE2-OE1 2.94Å; Q58-E62 WeakPolarHBondContact O-CG 3.3Å; Q58-E62 PolarHBondContact O-N 3.43Å
59	V	98.3	Very high	98	Very high	70 Å²	70	105 Å²	105	42%	0.424	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-42.4	175.7	170.4	0	0	0	0	111.4	A55 E56 I61 E62 Q63	A55-V59 WeakPolarHBondContact O-CG2 3.38Å; A55-V59 PolarHBondContact O-N 2.94Å; E56-V59 PolarHBondContact O-N 3.44Å; V59-I61 VanDerWaalsContact C-N 3.35Å; V59-I61 PolarHBondContact O-N 3.06Å; V59-E62 PolarHBondContact O-N 2.95Å; V59-Q63 HydrophobicContact CG1-CG 4.33Å; V59-Q63 WeakPolarHBondContact O-CB 3.39Å; V59-Q63 VanDerWaalsContact O-CG 3.27Å; V59-Q63 WeakPolarHBondContact O-CG 3.47Å; V59-Q63 PolarHBondContact O-N 3.5Å
60	I	98.2	Very high	98	Very high	108 Å²	108	102.8 Å²	102.8	55%	0.554	52%	0.516	S	S	*	.	H	α-helix	trans	-61.4	-44.1	176.7	-69.7	164.7	0	0	0	110.6	E56 A57 Q58 Q63 A64	E56-I60 VanDerWaalsContact O-CG1 3.29Å; E56-I60 WeakPolarHBondContact O-CG1 3.24Å; E56-I60 PolarHBondContact O-N 2.82Å; A57-I60 PolarHBondContact O-N 2.89Å; Q58-I60 VanDerWaalsContact C-N 3.35Å; Q58-I60 PolarHBondContact O-N 2.89Å; I60-Q63 PolarHBondContact O-N 3.24Å; I60-A64 WeakPolarHBondContact O-CB 3.49Å; I60-A64 PolarHBondContact O-N 2.97Å
61	I	98.1	Very high	98	Very high	87 Å²	87	101.5 Å²	101.5	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-43.8	178.1	-68.7	165.8	0	0	0	110.8	A57 Q58 V59 A64 N65	A57-I61 VanDerWaalsContact O-CG1 3.3Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.38Å; Q58-I61 PolarHBondContact O-N 3.22Å; V59-I61 VanDerWaalsContact C-N 3.35Å; V59-I61 PolarHBondContact O-N 3.06Å; I61-A64 PolarHBondContact O-N 3.31Å; I61-N65 WeakPolarHBondContact O-CB 3.33Å; I61-N65 PolarHBondContact O-N 2.75Å; I61-N65 PolarHBondContact O-ND2 2.65Å
62	E	98	Very high	98	Very high	110 Å²	110	98.8 Å²	98.8	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44	177.1	-75.1	173.2	-166.2	0	0	112.1	Q58 V59 A64 N65 K66	Q58-E62 WeakPolarHBondContact CG-OE1 3.38Å; Q58-E62 PolarHBondContact NE2-OE1 2.94Å; Q58-E62 WeakPolarHBondContact O-CG 3.3Å; Q58-E62 PolarHBondContact O-N 3.43Å; V59-E62 PolarHBondContact O-N 2.95Å; E62-A64 PolarHBondContact O-N 3.11Å; E62-N65 PolarHBondContact O-N 3.43Å; E62-K66 WeakPolarHBondContact O-CB 3.27Å; E62-K66 PolarHBondContact O-N 2.96Å
63	Q	98.1	Very high	98	Very high	125 Å²	125	97.4 Å²	97.4	58%	0.584	50%	0.499	S	S	*	.	H	α-helix	trans	-62.4	-41.8	174.7	-73.8	177.3	-2.5	0	0	111.8	V59 I60 K66 R67	V59-Q63 HydrophobicContact CG1-CG 4.33Å; V59-Q63 WeakPolarHBondContact O-CB 3.39Å; V59-Q63 VanDerWaalsContact O-CG 3.27Å; V59-Q63 WeakPolarHBondContact O-CG 3.47Å; V59-Q63 PolarHBondContact O-N 3.5Å; I60-Q63 PolarHBondContact O-N 3.24Å; Q63-K66 PolarHBondContact O-N 2.85Å; Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 3.36Å
64	A	97.7	Very high	98	Very high	55 Å²	55	99.5 Å²	99.5	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.4	0	0	0	0	0	111.9	I60 I61 E62 R67 R68	I60-A64 WeakPolarHBondContact O-CB 3.49Å; I60-A64 PolarHBondContact O-N 2.97Å; I61-A64 PolarHBondContact O-N 3.31Å; E62-A64 PolarHBondContact O-N 3.11Å; A64-R67 PolarHBondContact O-N 3.42Å; A64-R68 WeakPolarHBondContact O-CB 3.4Å; A64-R68 PolarHBondContact O-N 2.85Å
65	N	98.2	Very high	98	Very high	93 Å²	93	94.3 Å²	94.3	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-42.4	176.3	-74.5	-28.7	0	0	0	111.9	I61 E62 R68 S69	I61-N65 WeakPolarHBondContact O-CB 3.33Å; I61-N65 PolarHBondContact O-N 2.75Å; I61-N65 PolarHBondContact O-ND2 2.65Å; E62-N65 PolarHBondContact O-N 3.43Å; N65-R68 WeakPolarHBondContact O-CB 3.47Å; N65-R68 PolarHBondContact O-N 2.9Å; N65-S69 PolarHBondContact O-N 3.38Å
66	K	98.1	Very high	97.9	Very high	143 Å²	143	97.3 Å²	97.3	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-61.4	-47.1	174.7	-176.4	177.4	179.6	179.3	0	111.3	E62 Q63 R68 S69 Q70	E62-K66 WeakPolarHBondContact O-CB 3.27Å; E62-K66 PolarHBondContact O-N 2.96Å; Q63-K66 PolarHBondContact O-N 2.85Å; K66-R68 VanDerWaalsContact C-N 3.33Å; K66-R68 PolarHBondContact O-N 3.27Å; K66-S69 PolarHBondContact O-N 2.85Å; K66-Q70 WeakPolarHBondContact O-CG 3.39Å; K66-Q70 PolarHBondContact O-N 3.33Å
67	R	97.4	Very high	97.9	Very high	134 Å²	134	93.8 Å²	93.8	51%	0.506	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-40.4	178.1	-175.8	59.3	175.7	168	4.9	111.5	Q63 A64 Q70 I71	Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 3.36Å; A64-R67 PolarHBondContact O-N 3.42Å; R67-Q70 PolarHBondContact O-N 2.93Å; R67-I71 HydrophobicContact CG-CD1 3.98Å; R67-I71 VanDerWaalsContact O-CG1 3.28Å; R67-I71 WeakPolarHBondContact O-CG1 3.33Å; R67-I71 PolarHBondContact O-N 2.94Å
68	R	97.5	Very high	97.9	Very high	182 Å²	182	97.9 Å²	97.9	69%	0.687	49%	0.492	S	S	*	.	H	α-helix	trans	-58.8	-47.4	173.3	177.4	-171	-73.1	-108.6	1.2	111.6	A64 N65 K66 Q70 I71 L72	A64-R68 WeakPolarHBondContact O-CB 3.4Å; A64-R68 PolarHBondContact O-N 2.85Å; N65-R68 WeakPolarHBondContact O-CB 3.47Å; N65-R68 PolarHBondContact O-N 2.9Å; K66-R68 VanDerWaalsContact C-N 3.33Å; K66-R68 PolarHBondContact O-N 3.27Å; R68-Q70 VanDerWaalsContact C-N 3.35Å; R68-I71 PolarHBondContact O-N 2.91Å; R68-L72 WeakPolarHBondContact O-CB 3.33Å; R68-L72 PolarHBondContact O-N 3.21Å
69	S	97.8	Very high	97.9	Very high	61 Å²	61	96.1 Å²	96.1	43%	0.427	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-45.7	177.4	-166.2	0	0	0	0	111.3	N65 K66 I71 L72 D73	N65-S69 PolarHBondContact O-N 3.38Å; K66-S69 PolarHBondContact O-N 2.85Å; S69-I71 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 2.89Å; S69-D73 VanDerWaalsContact O-CG 3.25Å; S69-D73 PolarHBondContact O-N 3.47Å
70	Q	98.2	Very high	97.9	Very high	77 Å²	77	96.9 Å²	96.9	36%	0.36	49%	0.493	S	S	.	.	H	α-helix	trans	-59	-47.7	177.7	-72.3	175.5	-29.6	0	0	112.1	K66 R67 R68 L72 D73 E74	K66-Q70 WeakPolarHBondContact O-CG 3.39Å; K66-Q70 PolarHBondContact O-N 3.33Å; R67-Q70 PolarHBondContact O-N 2.93Å; R68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3Å; Q70-D73 PolarHBondContact O-N 2.91Å; Q70-E74 WeakPolarHBondContact O-CB 3.35Å; Q70-E74 VanDerWaalsContact O-CG 3.3Å; Q70-E74 WeakPolarHBondContact O-CG 3.29Å; Q70-E74 PolarHBondContact O-N 2.97Å
71	I	98	Very high	97.8	Very high	87 Å²	87	98.3 Å²	98.3	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-40.6	177.4	-69.2	166.5	0	0	0	110.9	R67 R68 S69 A75	R67-I71 HydrophobicContact CG-CD1 3.98Å; R67-I71 VanDerWaalsContact O-CG1 3.28Å; R67-I71 WeakPolarHBondContact O-CG1 3.33Å; R67-I71 PolarHBondContact O-N 2.94Å; R68-I71 PolarHBondContact O-N 2.91Å; S69-I71 PolarHBondContact O-N 3.37Å; I71-A75 VanDerWaalsContact O-CB 3.24Å; I71-A75 WeakPolarHBondContact O-CB 3.47Å; I71-A75 PolarHBondContact O-N 2.96Å
72	L	97.8	Very high	97.8	Very high	94 Å²	94	98.3 Å²	98.3	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-40.5	178.3	-178.9	63	0	0	0	111.9	R68 S69 Q70 K76	R68-L72 WeakPolarHBondContact O-CB 3.33Å; R68-L72 PolarHBondContact O-N 3.21Å; S69-L72 PolarHBondContact O-N 2.89Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3Å; L72-K76 HydrophobicContact CG-CD 4.44Å; L72-K76 WeakPolarHBondContact O-CB 3.45Å; L72-K76 VanDerWaalsContact O-CG 3.26Å; L72-K76 WeakPolarHBondContact O-CG 3.3Å; L72-K76 PolarHBondContact O-N 3.18Å
73	D	97.9	Very high	97.8	Very high	84 Å²	84	100 Å²	100	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-71.2	-40.4	179.5	-65.5	-28.5	0	0	0	111.4	S69 Q70 K76 A77	S69-D73 VanDerWaalsContact O-CG 3.25Å; S69-D73 PolarHBondContact O-N 3.47Å; Q70-D73 PolarHBondContact O-N 2.91Å; D73-K76 PolarHBondContact O-N 3.35Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å
74	E	97.7	Very high	97.8	Very high	98 Å²	98	97.8 Å²	97.8	46%	0.458	49%	0.492	S	S	.	.	H	α-helix	trans	-59	-50.4	171.2	-74.4	168.5	-166.5	0	0	110.8	Q70 K76 A77 E78	Q70-E74 WeakPolarHBondContact O-CB 3.35Å; Q70-E74 VanDerWaalsContact O-CG 3.3Å; Q70-E74 WeakPolarHBondContact O-CG 3.29Å; Q70-E74 PolarHBondContact O-N 2.97Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 3.22Å; E74-A77 PolarHBondContact O-N 2.95Å; E74-A77 VanDerWaalsContact O-N 3.11Å; E74-E78 WeakPolarHBondContact O-CG 3.28Å; E74-E78 PolarHBondContact O-N 3.41Å
75	A	97.7	Very high	97.8	Very high	49 Å²	49	100.2 Å²	100.2	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-36.9	178.6	0	0	0	0	0	112.8	I71 A79	I71-A75 VanDerWaalsContact O-CB 3.24Å; I71-A75 WeakPolarHBondContact O-CB 3.47Å; I71-A75 PolarHBondContact O-N 2.96Å; A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 2.88Å
76	K	97.9	Very high	97.8	Very high	119 Å²	119	100.2 Å²	100.2	52%	0.517	49%	0.492	S	S	.	.	H	α-helix	trans	-66.1	-42.3	173.5	-76.9	170.9	-176.8	170.6	0	111.8	L72 D73 E74 A79 E80	L72-K76 HydrophobicContact CG-CD 4.44Å; L72-K76 WeakPolarHBondContact O-CB 3.45Å; L72-K76 VanDerWaalsContact O-CG 3.26Å; L72-K76 WeakPolarHBondContact O-CG 3.3Å; L72-K76 PolarHBondContact O-N 3.18Å; D73-K76 PolarHBondContact O-N 3.35Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 3.22Å; K76-A79 PolarHBondContact O-N 3.45Å; K76-E80 WeakPolarHBondContact O-CB 3.43Å; K76-E80 PolarHBondContact O-N 2.88Å
77	A	98.1	Very high	97.7	Very high	51 Å²	51	96.6 Å²	96.6	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-44.1	178.3	0	0	0	0	0	111.3	D73 E74 E80 Q81	D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å; E74-A77 PolarHBondContact O-N 2.95Å; E74-A77 VanDerWaalsContact O-N 3.11Å; A77-E80 PolarHBondContact O-N 3.37Å; A77-Q81 WeakPolarHBondContact O-CG 3.32Å; A77-Q81 PolarHBondContact O-N 3.01Å
78	E	97.6	Very high	97.8	Very high	131 Å²	131	92.7 Å²	92.7	61%	0.612	48%	0.478	S	S	*	.	H	α-helix	trans	-61.6	-45.1	174.3	-72.3	179.2	-176.7	0	0	111.7	E74 E80 Q81 E82	E74-E78 WeakPolarHBondContact O-CG 3.28Å; E74-E78 PolarHBondContact O-N 3.41Å; E78-E80 VanDerWaalsContact C-N 3.3Å; E78-E80 PolarHBondContact O-N 3.39Å; E78-Q81 PolarHBondContact O-N 3.25Å; E78-E82 PolarHBondContact O-N 3.5Å
79	A	97.1	Very high	97.8	Very high	60 Å²	60	88.6 Å²	88.6	50%	0.496	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-39.1	176.5	0	0	0	0	0	112.1	A75 K76 R83	A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 2.88Å; K76-A79 PolarHBondContact O-N 3.45Å; A79-R83 WeakPolarHBondContact O-CB 3.31Å; A79-R83 PolarHBondContact O-N 3.32Å
80	E	97.9	Very high	97.7	Very high	87 Å²	87	87.6 Å²	87.6	41%	0.407	46%	0.462	S	S	.	.	H	α-helix	trans	-69.1	-38.8	177.8	-178.7	58.5	-166.2	0	0	112.5	K76 A77 E78 R83 T84	K76-E80 WeakPolarHBondContact O-CB 3.43Å; K76-E80 PolarHBondContact O-N 2.88Å; A77-E80 PolarHBondContact O-N 3.37Å; E78-E80 VanDerWaalsContact C-N 3.3Å; E78-E80 PolarHBondContact O-N 3.39Å; E80-R83 VanDerWaalsContact CD-NH2 3.26Å; E80-R83 IonicContact OE1-CZ 3.63Å; E80-R83 IonicContact OE1-NE 2.67Å; E80-R83 IonicContact OE1-NH2 3.95Å; E80-R83 PolarHBondContact OE1-NH2 2.86Å; E80-R83 IonicContact OE2-CZ 3.53Å; E80-R83 VanDerWaalsContact OE2-CZ 3.23Å; E80-R83 IonicContact OE2-NE 3.62Å; E80-R83 PolarHBondContact OE2-NE 3.43Å; E80-R83 IonicContact OE2-NH2 2.65Å; E80-R83 PolarHBondContact OE2-NH2 2.9Å; E80-T84 WeakPolarHBondContact O-CB 3.12Å; E80-T84 PolarHBondContact O-N 2.88Å; E80-T84 PolarHBondContact O-OG1 3.34Å
81	Q	97.8	Very high	97.7	Very high	138 Å²	138	89.5 Å²	89.5	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-64	-47.6	173.5	-73.4	177	5	0	0	111.5	A77 E78 R83 T84 K85	A77-Q81 WeakPolarHBondContact O-CG 3.32Å; A77-Q81 PolarHBondContact O-N 3.01Å; E78-Q81 PolarHBondContact O-N 3.25Å; Q81-R83 PolarHBondContact O-N 3.46Å; Q81-T84 PolarHBondContact O-N 2.92Å; Q81-K85 WeakPolarHBondContact O-CB 3.49Å; Q81-K85 PolarHBondContact O-N 3.34Å
82	E	97.4	Very high	97.7	Very high	87 Å²	87	88 Å²	88	41%	0.407	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-39.4	179	-170.1	59.6	-155.5	0	0	111	E78 T84 K85 I86	E78-E82 PolarHBondContact O-N 3.5Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.42Å; E82-K85 WeakPolarHBondContact O-CB 3.48Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 IonicContact OE1-NZ 3.06Å; E82-K85 IonicContact OE2-NZ 3.23Å; E82-I86 HydrophobicContact CG-CD1 3.99Å; E82-I86 HydrophobicContact CG-CG1 4.45Å; E82-I86 WeakPolarHBondContact O-CB 3.34Å; E82-I86 VanDerWaalsContact O-CG1 3.27Å; E82-I86 WeakPolarHBondContact O-CG1 3.3Å; E82-I86 PolarHBondContact O-N 3.42Å
83	R	97.5	Very high	97.6	Very high	144 Å²	144	90.1 Å²	90.1	54%	0.543	48%	0.479	S	S	.	.	H	α-helix	trans	-56.7	-48.1	171.9	-176.1	-178.4	78.4	114.6	2.8	111.4	A79 E80 Q81 K85 I86 V87	A79-R83 WeakPolarHBondContact O-CB 3.31Å; A79-R83 PolarHBondContact O-N 3.32Å; E80-R83 VanDerWaalsContact CD-NH2 3.26Å; E80-R83 IonicContact OE1-CZ 3.63Å; E80-R83 IonicContact OE1-NE 2.67Å; E80-R83 IonicContact OE1-NH2 3.95Å; E80-R83 PolarHBondContact OE1-NH2 2.86Å; E80-R83 IonicContact OE2-CZ 3.53Å; E80-R83 VanDerWaalsContact OE2-CZ 3.23Å; E80-R83 IonicContact OE2-NE 3.62Å; E80-R83 PolarHBondContact OE2-NE 3.43Å; E80-R83 IonicContact OE2-NH2 2.65Å; E80-R83 PolarHBondContact OE2-NH2 2.9Å; Q81-R83 PolarHBondContact O-N 3.46Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 2.91Å; R83-I86 PolarHBondContact O-N 2.88Å; R83-V87 WeakPolarHBondContact O-CB 3.45Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.28Å
84	T	97.8	Very high	97.6	Very high	80 Å²	80	91 Å²	91	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-41.9	178.9	-59.8	0	0	0	0	111.2	E80 Q81 E82 V87 A88	E80-T84 WeakPolarHBondContact O-CB 3.12Å; E80-T84 PolarHBondContact O-N 2.88Å; E80-T84 PolarHBondContact O-OG1 3.34Å; Q81-T84 PolarHBondContact O-N 2.92Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.42Å; T84-V87 PolarHBondContact O-N 2.88Å; T84-A88 WeakPolarHBondContact O-CB 3.32Å; T84-A88 PolarHBondContact O-N 3.3Å
85	K	97.9	Very high	97.6	Very high	106 Å²	106	93 Å²	93	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-46.9	177	-177.1	-174.7	170.9	-162.4	0	112.3	Q81 E82 R83 V87 A88 Q89	Q81-K85 WeakPolarHBondContact O-CB 3.49Å; Q81-K85 PolarHBondContact O-N 3.34Å; E82-K85 WeakPolarHBondContact O-CB 3.48Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 IonicContact OE1-NZ 3.06Å; E82-K85 IonicContact OE2-NZ 3.23Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 2.91Å; K85-V87 VanDerWaalsContact C-N 3.33Å; K85-V87 PolarHBondContact O-N 3.2Å; K85-A88 PolarHBondContact O-N 3.08Å; K85-Q89 WeakPolarHBondContact O-CB 3.32Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.45Å; K85-Q89 PolarHBondContact O-N 2.96Å
86	I	97.7	Very high	97.6	Very high	92 Å²	92	92.8 Å²	92.8	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-45.1	176.5	-69.4	166.8	0	0	0	110.2	E82 R83 Q89 A90	E82-I86 HydrophobicContact CG-CD1 3.99Å; E82-I86 HydrophobicContact CG-CG1 4.45Å; E82-I86 WeakPolarHBondContact O-CB 3.34Å; E82-I86 VanDerWaalsContact O-CG1 3.27Å; E82-I86 WeakPolarHBondContact O-CG1 3.3Å; E82-I86 PolarHBondContact O-N 3.42Å; R83-I86 PolarHBondContact O-N 2.88Å; I86-Q89 PolarHBondContact O-N 2.98Å; I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 2.98Å
87	V	98	Very high	97.5	Very high	68 Å²	68	92.2 Å²	92.2	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-44.8	178.1	170.3	0	0	0	0	111.2	R83 T84 K85 Q89 A90 Q91	R83-V87 WeakPolarHBondContact O-CB 3.45Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.28Å; T84-V87 PolarHBondContact O-N 2.88Å; K85-V87 VanDerWaalsContact C-N 3.33Å; K85-V87 PolarHBondContact O-N 3.2Å; V87-Q89 PolarHBondContact O-N 3.48Å; V87-A90 PolarHBondContact O-N 2.98Å; V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 WeakPolarHBondContact O-CB 3.28Å; V87-Q91 VanDerWaalsContact O-CG 3.3Å; V87-Q91 WeakPolarHBondContact O-CG 3.43Å; V87-Q91 PolarHBondContact O-N 3.47Å
88	A	97.6	Very high	97.5	Very high	51 Å²	51	96.7 Å²	96.7	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-63.3	-41	177.9	0	0	0	0	0	112.1	T84 K85 Q91 A92	T84-A88 WeakPolarHBondContact O-CB 3.32Å; T84-A88 PolarHBondContact O-N 3.3Å; K85-A88 PolarHBondContact O-N 3.08Å; A88-Q91 PolarHBondContact O-N 2.89Å; A88-A92 PolarHBondContact O-N 2.84Å
89	Q	97.4	Very high	97.4	Very high	96 Å²	96	97.3 Å²	97.3	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-48.1	175	-74.6	176	-20.6	0	0	111.4	K85 I86 V87 Q91 A92 E93	K85-Q89 WeakPolarHBondContact O-CB 3.32Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.45Å; K85-Q89 PolarHBondContact O-N 2.96Å; I86-Q89 PolarHBondContact O-N 2.98Å; V87-Q89 PolarHBondContact O-N 3.48Å; Q89-Q91 VanDerWaalsContact C-N 3.3Å; Q89-Q91 PolarHBondContact O-N 2.83Å; Q89-A92 PolarHBondContact O-N 3.33Å; Q89-A92 VanDerWaalsContact O-N 3.17Å; Q89-E93 WeakPolarHBondContact O-CG 3.48Å; Q89-E93 PolarHBondContact O-N 3.44Å
90	A	97	Very high	97.4	Very high	40 Å²	40	102.4 Å²	102.4	33%	0.331	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-39.7	177.3	0	0	0	0	0	112.1	I86 V87 E93 I94	I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 2.98Å; V87-A90 PolarHBondContact O-N 2.98Å; A90-E93 PolarHBondContact O-N 3.18Å; A90-I94 WeakPolarHBondContact O-CB 3.48Å; A90-I94 WeakPolarHBondContact O-CD1 3.32Å; A90-I94 WeakPolarHBondContact O-CG1 3.26Å; A90-I94 PolarHBondContact O-N 2.97Å
91	Q	97.6	Very high	97.3	Very high	118 Å²	118	101 Å²	101	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-45.3	174.8	-75.4	175.1	-7.4	0	0	111.8	V87 A88 Q89 E93 I94 E95	V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 WeakPolarHBondContact O-CB 3.28Å; V87-Q91 VanDerWaalsContact O-CG 3.3Å; V87-Q91 WeakPolarHBondContact O-CG 3.43Å; V87-Q91 PolarHBondContact O-N 3.47Å; A88-Q91 PolarHBondContact O-N 2.89Å; Q89-Q91 VanDerWaalsContact C-N 3.3Å; Q89-Q91 PolarHBondContact O-N 2.83Å; Q91-E93 VanDerWaalsContact C-N 3.35Å; Q91-E93 PolarHBondContact O-N 3.34Å; Q91-I94 PolarHBondContact O-N 3.38Å; Q91-E95 WeakPolarHBondContact O-CG 3.38Å; Q91-E95 PolarHBondContact O-N 2.98Å
92	A	97.5	Very high	97.2	Very high	55 Å²	55	101.9 Å²	101.9	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.2	0	0	0	0	0	112.3	A88 Q89 E95 A96	A88-A92 PolarHBondContact O-N 2.84Å; Q89-A92 PolarHBondContact O-N 3.33Å; Q89-A92 VanDerWaalsContact O-N 3.17Å; A92-E95 PolarHBondContact O-N 2.87Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.45Å
93	E	97.4	Very high	97.2	Very high	139 Å²	139	101.9 Å²	101.9	65%	0.65	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-44.5	174.8	-73.4	177.3	-170.2	0	0	111.8	Q89 A90 Q91 E95 A96 E97	Q89-E93 WeakPolarHBondContact O-CG 3.48Å; Q89-E93 PolarHBondContact O-N 3.44Å; A90-E93 PolarHBondContact O-N 3.18Å; Q91-E93 VanDerWaalsContact C-N 3.35Å; Q91-E93 PolarHBondContact O-N 3.34Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 3.29Å; E93-A96 PolarHBondContact O-N 3.46Å; E93-E97 WeakPolarHBondContact O-CB 3.24Å; E93-E97 PolarHBondContact O-N 3.28Å
94	I	97.1	Very high	97.2	Very high	102 Å²	102	99.4 Å²	99.4	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-43.3	175.5	-71.6	164.6	0	0	0	110.7	A90 Q91 E97 R98	A90-I94 WeakPolarHBondContact O-CB 3.48Å; A90-I94 WeakPolarHBondContact O-CD1 3.32Å; A90-I94 WeakPolarHBondContact O-CG1 3.26Å; A90-I94 PolarHBondContact O-N 2.97Å; Q91-I94 PolarHBondContact O-N 3.38Å; I94-E97 PolarHBondContact O-N 3.41Å; I94-R98 HydrophobicContact CG2-CG 4.35Å; I94-R98 WeakPolarHBondContact O-CB 3.28Å; I94-R98 VanDerWaalsContact O-CG 3.24Å; I94-R98 WeakPolarHBondContact O-CG 3.28Å; I94-R98 PolarHBondContact O-N 2.67Å
95	E	97	Very high	97.1	Very high	140 Å²	140	100.5 Å²	100.5	65%	0.654	50%	0.5	S	S	*	.	H	α-helix	trans	-64.1	-43.4	177.7	-74.8	-173.9	174.6	0	0	112.4	Q91 A92 E93 E97 R98 K99	Q91-E95 WeakPolarHBondContact O-CG 3.38Å; Q91-E95 PolarHBondContact O-N 2.98Å; A92-E95 PolarHBondContact O-N 2.87Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 3.29Å; E95-E97 VanDerWaalsContact C-N 3.35Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 2.87Å
96	A	97.4	Very high	97	Very high	45 Å²	45	103.9 Å²	103.9	37%	0.372	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.8	0	0	0	0	0	111.3	A92 E93 K99 R100	A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.45Å; E93-A96 PolarHBondContact O-N 3.46Å; A96-K99 WeakPolarHBondContact O-CB 3.38Å; A96-K99 PolarHBondContact O-N 3.42Å; A96-R100 WeakPolarHBondContact O-CG 3.47Å; A96-R100 PolarHBondContact O-N 3.47Å
97	E	96.5	Very high	96.9	Very high	107 Å²	107	105.3 Å²	105.3	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-39.7	179.6	-163	56.4	-146.2	0	0	111.8	E93 I94 E95 K99 R100 A101	E93-E97 WeakPolarHBondContact O-CB 3.24Å; E93-E97 PolarHBondContact O-N 3.28Å; I94-E97 PolarHBondContact O-N 3.41Å; E95-E97 VanDerWaalsContact C-N 3.35Å; E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 2.92Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE2-NH1 3.39Å; E97-R100 PolarHBondContact OE2-NH1 2.94Å; E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 2.86Å
98	R	97.4	Very high	96.8	Very high	145 Å²	145	106.5 Å²	106.5	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-39.5	171.9	-76	-177.8	74.7	-178.4	7.5	112.1	I94 E95 R102	I94-R98 HydrophobicContact CG2-CG 4.35Å; I94-R98 WeakPolarHBondContact O-CB 3.28Å; I94-R98 VanDerWaalsContact O-CG 3.24Å; I94-R98 WeakPolarHBondContact O-CG 3.28Å; I94-R98 PolarHBondContact O-N 2.67Å; E95-R98 PolarHBondContact O-N 2.91Å; R98-R102 WeakPolarHBondContact O-CB 3.18Å; R98-R102 VanDerWaalsContact O-CG 3.29Å; R98-R102 WeakPolarHBondContact O-CG 3.29Å; R98-R102 PolarHBondContact O-N 3.36Å
99	K	96.8	Very high	96.6	Very high	143 Å²	143	108 Å²	108	62%	0.622	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-45.1	176.4	-173.1	177.3	178.7	-179.2	0	111	E95 A96 E97 R102 E103	E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 2.87Å; A96-K99 WeakPolarHBondContact O-CB 3.38Å; A96-K99 PolarHBondContact O-N 3.42Å; E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 2.92Å; K99-R102 PolarHBondContact O-N 2.89Å; K99-E103 WeakPolarHBondContact O-CG 3.29Å; K99-E103 PolarHBondContact O-N 2.86Å
100	R	96.5	Very high	96.5	Very high	167 Å²	167	106 Å²	106	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-48	175.2	-72	173.6	179.3	171.1	-1	111.9	A96 E97 R102 E103 E104	A96-R100 WeakPolarHBondContact O-CG 3.47Å; A96-R100 PolarHBondContact O-N 3.47Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE2-NH1 3.39Å; E97-R100 PolarHBondContact OE2-NH1 2.94Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.4Å; R100-E103 PolarHBondContact O-N 2.91Å; R100-E104 WeakPolarHBondContact O-CB 3.43Å; R100-E104 PolarHBondContact O-N 3.3Å
101	A	96.1	Very high	96.4	Very high	58 Å²	58	109.7 Å²	109.7	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-60.2	-38.6	177.7	0	0	0	0	0	112.4	E97 L105	E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 2.86Å; A101-L105 VanDerWaalsContact O-CB 3.31Å; A101-L105 WeakPolarHBondContact O-CB 3.48Å; A101-L105 PolarHBondContact O-N 3.43Å
102	R	96.7	Very high	96.2	Very high	156 Å²	156	110 Å²	110	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-43.2	175.1	-76.6	175.9	-179.3	179.4	0.6	112.8	R98 K99 R100 E104 L105 R106	R98-R102 WeakPolarHBondContact O-CB 3.18Å; R98-R102 VanDerWaalsContact O-CG 3.29Å; R98-R102 WeakPolarHBondContact O-CG 3.29Å; R98-R102 PolarHBondContact O-N 3.36Å; K99-R102 PolarHBondContact O-N 2.89Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.4Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-L105 PolarHBondContact O-N 2.9Å; R102-R106 WeakPolarHBondContact O-CB 3.42Å; R102-R106 PolarHBondContact O-N 3.36Å
103	E	96.7	Very high	96	Very high	88 Å²	88	110.3 Å²	110.3	41%	0.411	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-41.4	176.7	-73.7	-61.2	152.9	0	0	111.3	K99 R100 R106 K107	K99-E103 WeakPolarHBondContact O-CG 3.29Å; K99-E103 PolarHBondContact O-N 2.86Å; R100-E103 PolarHBondContact O-N 2.91Å; E103-R106 PolarHBondContact O-N 2.87Å; E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.48Å
104	E	96.5	Very high	95.8	Very high	91 Å²	91	107.6 Å²	107.6	43%	0.425	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-46.2	175.6	-175.2	52.7	-146	0	0	111.5	R100 R102 R106 K107 Q108	R100-E104 WeakPolarHBondContact O-CB 3.43Å; R100-E104 PolarHBondContact O-N 3.3Å; R102-E104 VanDerWaalsContact C-N 3.33Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 2.81Å; E104-K107 PolarHBondContact O-N 3.19Å; E104-Q108 WeakPolarHBondContact O-CG 3.49Å; E104-Q108 PolarHBondContact O-N 3.3Å; E104-Q108 PolarHBondContact OE1-NE2 2.96Å
105	L	95.7	Very high	95.5	Very high	104 Å²	104	104.6 Å²	104.6	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-59	-41.5	174.4	-176	65.7	0	0	0	111.7	A101 R102 K107 Q108 V109	A101-L105 VanDerWaalsContact O-CB 3.31Å; A101-L105 WeakPolarHBondContact O-CB 3.48Å; A101-L105 PolarHBondContact O-N 3.43Å; R102-L105 PolarHBondContact O-N 2.9Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.95Å; L105-Q108 PolarHBondContact O-N 2.96Å; L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 HydrophobicContact CG-CG2 4.37Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.11Å; L105-V109 PolarHBondContact O-N 3.15Å
106	R	96	Very high	95.1	Very high	176 Å²	176	99.4 Å²	99.4	66%	0.664	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-41.3	177.9	-176.1	-178.3	178.6	-177.9	0.8	111.7	R102 E103 E104 A110	R102-R106 WeakPolarHBondContact O-CB 3.42Å; R102-R106 PolarHBondContact O-N 3.36Å; E103-R106 PolarHBondContact O-N 2.87Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 2.81Å; R106-A110 WeakPolarHBondContact O-CB 3.27Å; R106-A110 PolarHBondContact O-N 3.49Å
107	K	96.2	Very high	94.7	Very high	122 Å²	122	99.5 Å²	99.5	53%	0.53	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175	-69.9	174.7	-174.2	176.1	0	111.4	E103 E104 L105 V109 A110 I111	E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.48Å; E104-K107 PolarHBondContact O-N 3.19Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.95Å; K107-V109 VanDerWaalsContact C-N 3.34Å; K107-V109 PolarHBondContact O-N 3.17Å; K107-A110 PolarHBondContact O-N 3.38Å; K107-I111 WeakPolarHBondContact O-CG1 3.37Å; K107-I111 PolarHBondContact O-N 3.4Å
108	Q	94.9	Very high	94.3	Very high	93 Å²	93	100.2 Å²	100.2	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-42.2	178.2	-68.9	178.2	20.7	0	0	111.8	E104 L105 I111 L112	E104-Q108 WeakPolarHBondContact O-CG 3.49Å; E104-Q108 PolarHBondContact O-N 3.3Å; E104-Q108 PolarHBondContact OE1-NE2 2.96Å; L105-Q108 PolarHBondContact O-N 2.96Å; Q108-I111 PolarHBondContact O-N 2.87Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 PolarHBondContact O-N 3.24Å
109	V	95.3	Very high	93.8	Very high	83 Å²	83	100.2 Å²	100.2	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-40.6	175.2	170.9	0	0	0	0	111.4	L105 K107 L112 A113	L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 HydrophobicContact CG-CG2 4.37Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.11Å; L105-V109 PolarHBondContact O-N 3.15Å; K107-V109 VanDerWaalsContact C-N 3.34Å; K107-V109 PolarHBondContact O-N 3.17Å; V109-L112 PolarHBondContact O-N 3.41Å; V109-A113 VanDerWaalsContact O-CB 3.31Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.27Å
110	A	94.4	Very high	93.3	Very high	54 Å²	54	98.9 Å²	98.9	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-43.1	176	0	0	0	0	0	112	R106 K107 A113 V114	R106-A110 WeakPolarHBondContact O-CB 3.27Å; R106-A110 PolarHBondContact O-N 3.49Å; K107-A110 PolarHBondContact O-N 3.38Å; A110-A113 PolarHBondContact O-N 3.37Å; A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 2.88Å
111	I	94.5	Very high	92.7	Very high	118 Å²	118	95.9 Å²	95.9	61%	0.605	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-46.2	175.6	-67	164.9	0	0	0	110.6	K107 Q108 A113 V114 A115	K107-I111 WeakPolarHBondContact O-CG1 3.37Å; K107-I111 PolarHBondContact O-N 3.4Å; Q108-I111 PolarHBondContact O-N 2.87Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.86Å; I111-V114 PolarHBondContact O-N 3.38Å; I111-A115 WeakPolarHBondContact O-CB 3.29Å; I111-A115 PolarHBondContact O-N 3.36Å
112	L	93.9	Very high	92.1	Very high	124 Å²	124	99 Å²	99	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-38.6	176.4	-84.9	156.2	0	0	0	112.4	Q108 V109 G116	Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 PolarHBondContact O-N 3.24Å; V109-L112 PolarHBondContact O-N 3.41Å; L112-G116 PolarHBondContact O-N 2.88Å
113	A	92.5	Very high	91.3	Very high	61 Å²	61	101 Å²	101	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-42.3	177.5	0	0	0	0	0	111.8	V109 A110 I111 G116 A117	V109-A113 VanDerWaalsContact O-CB 3.31Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.27Å; A110-A113 PolarHBondContact O-N 3.37Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.86Å; A113-G116 PolarHBondContact O-N 3.04Å; A113-A117 WeakPolarHBondContact O-CB 3.38Å; A113-A117 PolarHBondContact O-N 3.49Å
114	V	93.3	Very high	90.4	Very high	83 Å²	83	100 Å²	100	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-50.2	175.2	173.2	0	0	0	0	110.5	A110 I111 G116 A117 E118	A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 2.88Å; I111-V114 PolarHBondContact O-N 3.38Å; V114-G116 PolarHBondContact O-N 2.9Å; V114-A117 PolarHBondContact O-N 2.85Å; V114-A117 VanDerWaalsContact O-N 3.11Å; V114-E118 HydrophobicContact CG1-CG 4.42Å; V114-E118 WeakPolarHBondContact O-CG 3.19Å; V114-E118 PolarHBondContact O-N 2.89Å
115	A	90.6	Very high	89.4	Confident	39 Å²	39	99.9 Å²	99.9	32%	0.322	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-33.9	177.9	0	0	0	0	0	112.5	I111 K119	I111-A115 WeakPolarHBondContact O-CB 3.29Å; I111-A115 PolarHBondContact O-N 3.36Å; A115-K119 WeakPolarHBondContact O-CG 3.31Å; A115-K119 PolarHBondContact O-N 3.39Å
116	G	89.1	Confident	88.4	Confident	31 Å²	31	99.7 Å²	99.7	32%	0.32	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-45.2	173	0	0	0	0	0	112.4	L112 A113 V114 K119 I120	L112-G116 PolarHBondContact O-N 2.88Å; A113-G116 PolarHBondContact O-N 3.04Å; V114-G116 PolarHBondContact O-N 2.9Å; G116-K119 PolarHBondContact O-N 3.43Å; G116-I120 VanDerWaalsContact O-CG1 3.31Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 2.94Å; G116-I120 VanDerWaalsContact O-N 3.12Å
117	A	88.6	Confident	87.4	Confident	47 Å²	47	98.6 Å²	98.6	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-43	177.2	0	0	0	0	0	112.1	A113 V114 K119 I120 I121	A113-A117 WeakPolarHBondContact O-CB 3.38Å; A113-A117 PolarHBondContact O-N 3.49Å; V114-A117 PolarHBondContact O-N 2.85Å; V114-A117 VanDerWaalsContact O-N 3.11Å; A117-K119 PolarHBondContact O-N 2.87Å; A117-I120 PolarHBondContact O-N 2.79Å; A117-I121 WeakPolarHBondContact O-CG1 3.29Å; A117-I121 PolarHBondContact O-N 3.24Å
118	E	88.3	Confident	86.4	Confident	122 Å²	122	95.8 Å²	95.8	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-56.5	-47.6	175.4	-74.4	173.6	176.1	0	0	111.5	V114 I120 I121 E122	V114-E118 HydrophobicContact CG1-CG 4.42Å; V114-E118 WeakPolarHBondContact O-CG 3.19Å; V114-E118 PolarHBondContact O-N 2.89Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.39Å; E118-I121 PolarHBondContact O-N 3.04Å; E118-E122 WeakPolarHBondContact O-CB 3.25Å; E118-E122 PolarHBondContact O-N 3.43Å
119	K	87.2	Confident	85.4	Confident	144 Å²	144	93.6 Å²	93.6	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-33.4	177.3	-75.7	179.7	179.8	-176.7	0	113.9	A115 G116 A117 R123	A115-K119 WeakPolarHBondContact O-CG 3.31Å; A115-K119 PolarHBondContact O-N 3.39Å; G116-K119 PolarHBondContact O-N 3.43Å; A117-K119 PolarHBondContact O-N 2.87Å; K119-R123 PolarHBondContact O-N 2.84Å
120	I	86.7	Confident	84.1	Confident	115 Å²	115	94.9 Å²	94.9	59%	0.59	53%	0.53	S	S	*	.	H	α-helix	trans	-69.8	-42.3	176.3	-68.8	166.1	0	0	0	110.2	G116 A117 E118 S124	G116-I120 VanDerWaalsContact O-CG1 3.31Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 2.94Å; G116-I120 VanDerWaalsContact O-N 3.12Å; A117-I120 PolarHBondContact O-N 2.79Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.39Å; I120-S124 WeakPolarHBondContact O-CB 3.26Å; I120-S124 PolarHBondContact O-N 2.9Å; I120-S124 PolarHBondContact O-OG 2.84Å
121	I	83.7	Confident	83.2	Confident	105 Å²	105	95.4 Å²	95.4	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-46.8	177.5	-66.5	168	0	0	0	110.3	A117 E118 R123 S124 V125	A117-I121 WeakPolarHBondContact O-CG1 3.29Å; A117-I121 PolarHBondContact O-N 3.24Å; E118-I121 PolarHBondContact O-N 3.04Å; I121-R123 VanDerWaalsContact C-N 3.33Å; I121-R123 PolarHBondContact O-N 3.32Å; I121-S124 PolarHBondContact O-N 3.45Å; I121-S124 VanDerWaalsContact O-N 3.11Å; I121-V125 HydrophobicContact CG2-CG2 4.19Å; I121-V125 WeakPolarHBondContact O-CG2 3.41Å; I121-V125 PolarHBondContact O-N 2.84Å
122	E	83.5	Confident	82.4	Confident	123 Å²	123	93.6 Å²	93.6	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-54.2	-48.7	177.8	-170.6	177.3	-163.2	0	0	111.2	E118 S124 V125 D126	E118-E122 WeakPolarHBondContact O-CB 3.25Å; E118-E122 PolarHBondContact O-N 3.43Å; E122-S124 PolarHBondContact O-N 3.35Å; E122-V125 PolarHBondContact O-N 3.21Å; E122-D126 WeakPolarHBondContact O-CB 3.48Å; E122-D126 PolarHBondContact O-N 2.88Å
123	R	80.1	Confident	81.4	Confident	198 Å²	198	92.3 Å²	92.3	75%	0.747	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-39.3	175.7	-76.7	-170.8	175.1	-176.9	-1.8	114.1	K119 I121 V125 D126 E127	K119-R123 PolarHBondContact O-N 2.84Å; I121-R123 VanDerWaalsContact C-N 3.33Å; I121-R123 PolarHBondContact O-N 3.32Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-D126 PolarHBondContact O-N 3.48Å; R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 3.43Å
124	S	77.5	Confident	80.5	Confident	68 Å²	68	93.4 Å²	93.4	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-68.6	-35.8	-179.6	-54.8	0	0	0	0	111.5	I120 I121 E122 A128	I120-S124 WeakPolarHBondContact O-CB 3.26Å; I120-S124 PolarHBondContact O-N 2.9Å; I120-S124 PolarHBondContact O-OG 2.84Å; I121-S124 PolarHBondContact O-N 3.45Å; I121-S124 VanDerWaalsContact O-N 3.11Å; E122-S124 PolarHBondContact O-N 3.35Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.19Å
125	V	75.2	Confident	79.8	Confident	87 Å²	87	94.1 Å²	94.1	53%	0.527	52%	0.516	S	S	.	.	H	α-helix	trans	-71.1	-43.1	175.2	172.5	0	0	0	0	110.8	I121 E122 R123 E127 A128 A129	I121-V125 HydrophobicContact CG2-CG2 4.19Å; I121-V125 WeakPolarHBondContact O-CG2 3.41Å; I121-V125 PolarHBondContact O-N 2.84Å; E122-V125 PolarHBondContact O-N 3.21Å; R123-V125 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 2.95Å; V125-A128 PolarHBondContact O-N 3.36Å; V125-A129 VanDerWaalsContact O-CB 3.24Å; V125-A129 WeakPolarHBondContact O-CB 3.44Å; V125-A129 PolarHBondContact O-N 3.09Å
126	D	75.9	Confident	79.1	Confident	100 Å²	100	98.2 Å²	98.2	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-43.6	175.7	-79.8	-18.4	0	0	0	111.6	E122 R123 A129 N130	E122-D126 WeakPolarHBondContact O-CB 3.48Å; E122-D126 PolarHBondContact O-N 2.88Å; R123-D126 PolarHBondContact O-N 3.48Å; D126-A129 PolarHBondContact O-N 2.89Å; D126-N130 VanDerWaalsContact O-CB 3.26Å; D126-N130 WeakPolarHBondContact O-CB 3.17Å; D126-N130 PolarHBondContact O-N 3.37Å
127	E	74.4	Confident	78.3	Confident	154 Å²	154	102.4 Å²	102.4	72%	0.72	54%	0.541	S	S	*	.	H	α-helix	trans	-64.2	-42.4	178.2	-169.2	168.9	-163.2	0	0	112	R123 V125 N130 S131	R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 3.43Å; V125-E127 PolarHBondContact O-N 2.95Å; E127-N130 PolarHBondContact O-N 3.08Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 VanDerWaalsContact O-N 3.12Å
128	A	74.9	Confident	77.6	Confident	63 Å²	63	104.8 Å²	104.8	52%	0.521	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-42.6	175	0	0	0	0	0	112.4	S124 V125 N130 S131 D132	S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.19Å; V125-A128 PolarHBondContact O-N 3.36Å; A128-N130 VanDerWaalsContact C-N 3.34Å; A128-S131 PolarHBondContact O-N 2.95Å; A128-D132 PolarHBondContact O-N 3.4Å; A128-D132 VanDerWaalsContact O-N 3.1Å
129	A	73.6	Confident	77	Confident	47 Å²	47	102.9 Å²	102.9	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-38.3	177.7	0	0	0	0	0	111.6	V125 D126 D132 I133	V125-A129 VanDerWaalsContact O-CB 3.24Å; V125-A129 WeakPolarHBondContact O-CB 3.44Å; V125-A129 PolarHBondContact O-N 3.09Å; D126-A129 PolarHBondContact O-N 2.89Å; A129-D132 PolarHBondContact O-N 3.48Å; A129-I133 WeakPolarHBondContact O-CG1 3.04Å; A129-I133 PolarHBondContact O-N 3.43Å; A129-I133 VanDerWaalsContact O-N 3.14Å
130	N	69.3	Low	76	Confident	109 Å²	109	104.6 Å²	104.6	58%	0.583	57%	0.566	S	S	*	*	H	α-helix	trans	-69	-36.9	178.8	-148	44.9	0	0	0	111.5	D126 E127 A128 I133 V134	D126-N130 VanDerWaalsContact O-CB 3.26Å; D126-N130 WeakPolarHBondContact O-CB 3.17Å; D126-N130 PolarHBondContact O-N 3.37Å; E127-N130 PolarHBondContact O-N 3.08Å; A128-N130 VanDerWaalsContact C-N 3.34Å; N130-I133 PolarHBondContact O-N 3.3Å; N130-V134 WeakPolarHBondContact O-CG2 3.29Å; N130-V134 PolarHBondContact O-N 3.2Å
131	S	74.7	Confident	74.3	Confident	66 Å²	66	109 Å²	109	46%	0.462	59%	0.59	S	S	.	*	H	α-helix	trans	-63.1	-44.9	172.3	-168	0	0	0	0	112.1	E127 A128 I133 V134 D135	E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 VanDerWaalsContact O-N 3.12Å; A128-S131 PolarHBondContact O-N 2.95Å; S131-I133 VanDerWaalsContact C-N 3.28Å; S131-I133 PolarHBondContact O-N 3.22Å; S131-V134 PolarHBondContact O-N 3.49Å; S131-V134 VanDerWaalsContact O-N 3.13Å; S131-D135 PolarHBondContact O-N 2.91Å
132	D	77.3	Confident	73.8	Confident	79 Å²	79	109.2 Å²	109.2	42%	0.422	59%	0.592	S	S	.	*	H	α-helix	trans	-64.3	-32.1	-179.2	-169.2	50.3	0	0	0	112.4	A128 A129 K136	A128-D132 PolarHBondContact O-N 3.4Å; A128-D132 VanDerWaalsContact O-N 3.1Å; A129-D132 PolarHBondContact O-N 3.48Å; D132-K136 WeakPolarHBondContact O-CG 3.41Å; D132-K136 PolarHBondContact O-N 3.44Å; D132-K136 VanDerWaalsContact O-N 3.12Å; D132-K136 IonicContact OD1-NZ 3.81Å; D132-K136 WeakPolarHBondContact OD2-CE 3.46Å; D132-K136 IonicContact OD2-NZ 2.65Å; D132-K136 PolarHBondContact OD2-NZ 3.49Å
133	I	72.8	Confident	73.3	Confident	98 Å²	98	108.5 Å²	108.5	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-68.3	-42.1	173.5	-67.8	166.1	0	0	0	111	A129 N130 S131 K136 L137	A129-I133 WeakPolarHBondContact O-CG1 3.04Å; A129-I133 PolarHBondContact O-N 3.43Å; A129-I133 VanDerWaalsContact O-N 3.14Å; N130-I133 PolarHBondContact O-N 3.3Å; S131-I133 VanDerWaalsContact C-N 3.28Å; S131-I133 PolarHBondContact O-N 3.22Å; I133-K136 PolarHBondContact O-N 2.97Å; I133-L137 PolarHBondContact O-N 3.18Å
134	V	74.4	Confident	72.9	Confident	83 Å²	83	103.5 Å²	103.5	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-43.9	178	174.1	0	0	0	0	110.6	N130 S131 K136 L137 V138	N130-V134 WeakPolarHBondContact O-CG2 3.29Å; N130-V134 PolarHBondContact O-N 3.2Å; S131-V134 PolarHBondContact O-N 3.49Å; S131-V134 VanDerWaalsContact O-N 3.13Å; V134-K136 PolarHBondContact O-N 2.93Å; V134-L137 PolarHBondContact O-N 3.36Å; V134-V138 WeakPolarHBondContact O-CG2 3.45Å; V134-V138 PolarHBondContact O-N 2.92Å; V134-V138 VanDerWaalsContact O-N 3.09Å
135	D	78	Confident	72.7	Confident	99 Å²	99	105.6 Å²	105.6	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-39.4	179.3	-70.9	-25.6	0	0	0	112.1	S131 V138 A139	S131-D135 PolarHBondContact O-N 2.91Å; D135-V138 PolarHBondContact O-N 3.39Å; D135-A139 PolarHBondContact O-N 3.31Å; D135-A139 VanDerWaalsContact O-N 3.15Å
136	K	76.1	Confident	72.5	Confident	125 Å²	125	106.8 Å²	106.8	54%	0.543	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-38.2	174.5	-74.8	173.4	-171.8	156.1	0	112.9	D132 I133 V134 V138 A139 E140	D132-K136 WeakPolarHBondContact O-CG 3.41Å; D132-K136 PolarHBondContact O-N 3.44Å; D132-K136 VanDerWaalsContact O-N 3.12Å; D132-K136 IonicContact OD1-NZ 3.81Å; D132-K136 WeakPolarHBondContact OD2-CE 3.46Å; D132-K136 IonicContact OD2-NZ 2.65Å; D132-K136 PolarHBondContact OD2-NZ 3.49Å; I133-K136 PolarHBondContact O-N 2.97Å; V134-K136 PolarHBondContact O-N 2.93Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 2.89Å; K136-A139 PolarHBondContact O-N 3.19Å; K136-E140 PolarHBondContact O-N 3.13Å
137	L	72.2	Confident	72.3	Confident	119 Å²	119	107.2 Å²	107.2	62%	0.623	60%	0.599	S	S	*	*	H	α-helix	trans	-64	-36.5	176.9	-124.6	88.7	0	0	0	112.1	I133 V134 A139	I133-L137 PolarHBondContact O-N 3.18Å; V134-L137 PolarHBondContact O-N 3.36Å; L137-A139 VanDerWaalsContact C-N 3.34Å
138	V	73.9	Confident	72.1	Confident	97 Å²	97	103.9 Å²	103.9	59%	0.588	59%	0.59	S	S	*	*	H	α-helix	trans	-72.1	-30.3	177.2	175	0	0	0	0	111.4	V134 D135 K136	V134-V138 WeakPolarHBondContact O-CG2 3.45Å; V134-V138 PolarHBondContact O-N 2.92Å; V134-V138 VanDerWaalsContact O-N 3.09Å; D135-V138 PolarHBondContact O-N 3.39Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 2.89Å
139	A	76.1	Confident	71.9	Confident	81 Å²	81	107 Å²	107	67%	0.669	60%	0.596	S	S	*	*	H	α-helix	trans	-77.2	-18.2	179.2	0	0	0	0	0	114.6	D135 K136 L137	D135-A139 PolarHBondContact O-N 3.31Å; D135-A139 VanDerWaalsContact O-N 3.15Å; K136-A139 PolarHBondContact O-N 3.19Å; L137-A139 VanDerWaalsContact C-N 3.34Å
140	E	66.3	Low	71.8	Confident	180 Å²	180	112 Å²	112	84%	0.841	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-1.8	175.5	-76.5	-170.1	166.5	0	0	114.1	K136	K136-E140 PolarHBondContact O-N 3.13Å
141	L	50.2	Low	72	Confident	208 Å²	208	112.3 Å²	112.3	100%	1.089	62%	0.616	S	S	*	*			trans	-94.4	0	172.1	-81.5	159.5	0	0	0	111.5

Retrieved 141 of 141 residues in 98.1 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).