A0A3Q0KBF1_SCHMA Loading...

ATPase protein 9

AlphaFold DB , UniProt , Accession A0A3Q0KBF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A3Q0KBF1_SCHMA|A0A3Q0KBF1
MPVTLFNAVLRPTLMNVMKTSTVKLSPAAVSCIFPTSQFHTSSIRKDIDQAAKYIGAGAATVGCAGSGAGIGSVFGSLTLAYARNPGLKQQLFTYAILGFALSEAMGLFCLVMAFLILYVF
					

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	46	Very low	57.1	Low	223 Å²	223	130.6 Å²	130.6	100%	1.099	70%	0.696	S	S	*	*				0	74.1	0	-60.7	-61.7	-174.7	0	0	109.2
2	P	53.6	Low	56.9	Low	109 Å²	109	126.3 Å²	126.3	71%	0.708	68%	0.681	S	S	*	*				-152.4	4.2	125.3	33.2	-12.5	0	0	0	117
3	V	59.1	Low	56.8	Low	120 Å²	120	124 Å²	124	73%	0.727	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-16.4	-177.6	-148.7	0	0	0	0	113	L5	V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.43Å
4	T	59.6	Low	56.6	Low	107 Å²	107	123.8 Å²	123.8	66%	0.656	67%	0.671	S	S	*	*	H	α-helix	trans	-73.1	-23.4	-177.2	45.9	0	0	0	0	113.6
5	L	56.6	Low	56.3	Low	135 Å²	135	124.4 Å²	124.4	71%	0.707	67%	0.67	S	S	*	*	H	α-helix	trans	-83.8	-31.8	-171.7	-158.7	135.2	0	0	0	113.4	V3 A8	V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.43Å; L5-A8 PolarHBondContact O-N 3.03Å
6	F	62.2	Low	56	Low	172 Å²	172	124.7 Å²	124.7	75%	0.754	67%	0.671	S	S	*	*	H	α-helix	trans	-74.6	-37.4	177.5	-162	-101.2	0	0	0	112.4	A8 V9	F6-A8 PolarHBondContact O-N 3.46Å; F6-V9 PolarHBondContact O-N 3.29Å
7	N	56.1	Low	56.3	Low	103 Å²	103	124.2 Å²	124.2	55%	0.551	67%	0.673	S	S	*	*	H	α-helix	trans	-67.7	-19.3	174.1	-97.5	-15.8	0	0	0	113.6	R11	N7-R11 WeakPolarHBondContact O-CG 3.39Å; N7-R11 PolarHBondContact O-N 3.2Å
8	A	59.7	Low	55.9	Low	58 Å²	58	125.6 Å²	125.6	48%	0.479	68%	0.676	S	S	.	*	H	α-helix	trans	-77.2	-30.3	-179.6	0	0	0	0	0	113.1	L5 F6 P12	L5-A8 PolarHBondContact O-N 3.03Å; F6-A8 PolarHBondContact O-N 3.46Å; A8-P12 WeakPolarHBondContact O-CD 3.38Å
9	V	61.9	Low	55.7	Low	109 Å²	109	128.7 Å²	128.7	66%	0.661	68%	0.683	S	S	*	*	H	α-helix	trans	-82.1	-31.4	-179	171	0	0	0	0	112.4	F6 P12	F6-V9 PolarHBondContact O-N 3.29Å; V9-P12 WeakPolarHBondContact O-CD 3.46Å
10	L	55.3	Low	55.4	Low	123 Å²	123	128.4 Å²	128.4	64%	0.644	69%	0.687	S	S	*	*	H	α-helix	trans	-85	-15.7	179.2	-150.4	73.6	0	0	0	113.6	T13	L10-T13 PolarHBondContact O-OG1 3.35Å
11	R	58	Low	55.3	Low	178 Å²	178	126.8 Å²	126.8	67%	0.672	69%	0.686	S	S	*	*	H	α-helix	trans	-68.2	-43.8	177.9	-93.7	-177.6	177.5	-148.4	-0.6	115.3	N7 T13 M15	N7-R11 WeakPolarHBondContact O-CG 3.39Å; N7-R11 PolarHBondContact O-N 3.2Å; R11-T13 PolarHBondContact O-N 3.02Å; R11-M15 WeakPolarHBondContact O-CG 3.31Å; R11-M15 PolarHBondContact O-N 3.41Å
12	P	54.9	Low	55.2	Low	79 Å²	79	123.2 Å²	123.2	51%	0.513	68%	0.676	S	S	.	*	H	α-helix	trans	-72.2	-24.3	-173.8	23.7	-32.4	0	0	0	114.1	A8 V9	A8-P12 WeakPolarHBondContact O-CD 3.38Å; V9-P12 WeakPolarHBondContact O-CD 3.46Å
13	T	56.2	Low	54.8	Low	96 Å²	96	123 Å²	123	59%	0.589	67%	0.673	S	S	*	*	H	α-helix	trans	-73.6	-36.1	179	47.2	0	0	0	0	112.4	L10 R11	L10-T13 PolarHBondContact O-OG1 3.35Å; R11-T13 PolarHBondContact O-N 3.02Å
14	L	52.9	Low	54	Low	121 Å²	121	127.6 Å²	127.6	63%	0.634	68%	0.683	S	S	*	*	H	α-helix	trans	-76.6	-30.2	179.1	-160.6	140.5	0	0	0	112.6	N16 V17	L14-N16 VanDerWaalsContact C-N 3.26Å; L14-N16 PolarHBondContact O-N 3.18Å; L14-V17 PolarHBondContact O-N 3.42Å
15	M	52.1	Low	53.4	Low	133 Å²	133	128.4 Å²	128.4	66%	0.655	68%	0.682	S	S	*	*	H	α-helix	trans	-67.4	-23.4	177.4	-74	167.8	61.8	0	0	113.5	R11	R11-M15 WeakPolarHBondContact O-CG 3.31Å; R11-M15 PolarHBondContact O-N 3.41Å
16	N	51.8	Low	53	Low	129 Å²	129	125.6 Å²	125.6	69%	0.69	67%	0.674	S	S	*	*	H	α-helix	trans	-85	-19.5	-178.6	-151.8	59.9	0	0	0	113.7	L14	L14-N16 VanDerWaalsContact C-N 3.26Å; L14-N16 PolarHBondContact O-N 3.18Å
17	V	60.7	Low	52.7	Low	116 Å²	116	122.7 Å²	122.7	70%	0.703	67%	0.673	S	S	*	*	H	α-helix	trans	-85	-28.3	177.2	171.1	0	0	0	0	111.9	L14 K19 T20	L14-V17 PolarHBondContact O-N 3.42Å; V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 2.87Å; V17-T20 PolarHBondContact O-OG1 2.8Å
18	M	49.3	Very low	52.5	Low	149 Å²	149	121.3 Å²	121.3	73%	0.734	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-82.3	-8.1	-175	-130	170.9	160.7	0	0	114	T20	M18-T20 PolarHBondContact O-N 3.39Å
19	K	52	Low	52	Low	186 Å²	186	121.1 Å²	121.1	81%	0.809	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-72.2	-4.3	-176.6	-126.1	179	-175.6	-177.5	0	114.5	V17	V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 2.87Å
20	T	51	Low	51.7	Low	122 Å²	122	120 Å²	120	75%	0.748	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-106	4.3	-175.8	44.1	0	0	0	0	116.1	V17 M18	V17-T20 PolarHBondContact O-OG1 2.8Å; M18-T20 PolarHBondContact O-N 3.39Å
21	S	52.2	Low	51.8	Low	95 Å²	95	118.9 Å²	118.9	66%	0.664	67%	0.669	S	S	*	*			trans	-124.5	91.4	179.6	-61.9	0	0	0	0	111.6	V23	S21-V23 VanDerWaalsContact C-N 3.27Å; S21-V23 PolarHBondContact O-N 2.92Å
22	T	44.8	Very low	51.4	Low	148 Å²	148	115.8 Å²	115.8	91%	0.908	67%	0.674	S	S	*	*			trans	-63.1	82.6	167.5	48	0	0	0	0	110.4
23	V	45.6	Very low	51.6	Low	103 Å²	103	117.9 Å²	117.9	62%	0.624	68%	0.68	S	S	*	*			trans	-117.5	107.2	160.2	-175.8	0	0	0	0	107	S21 L25	S21-V23 VanDerWaalsContact C-N 3.27Å; S21-V23 PolarHBondContact O-N 2.92Å; V23-L25 HydrophobicContact CB-CD1 4.08Å; V23-L25 HydrophobicContact CG1-CD1 3.6Å; V23-L25 HydrophobicContact CG1-CG 4.03Å; V23-L25 PolarHBondContact O-N 3.47Å
24	K	41.7	Very low	51.8	Low	217 Å²	217	120.9 Å²	120.9	94%	0.943	69%	0.685	S	S	*	*			trans	-67.7	73.8	176.5	-157.8	-177.8	-169.3	-176.9	0	108.5	S26	K24-S26 PolarHBondContact O-N 3.19Å
25	L	47.1	Very low	52	Low	124 Å²	124	120.5 Å²	120.5	65%	0.649	69%	0.689	S	S	*	*			trans	-79.2	112.8	176	-93	129.8	0	0	0	109	V23	V23-L25 HydrophobicContact CB-CD1 4.08Å; V23-L25 HydrophobicContact CG1-CD1 3.6Å; V23-L25 HydrophobicContact CG1-CG 4.03Å; V23-L25 PolarHBondContact O-N 3.47Å
26	S	48.3	Very low	52.5	Low	76 Å²	76	120.6 Å²	120.6	53%	0.531	70%	0.698	S	S	.	*			trans	-52.8	130	172.6	179.5	0	0	0	0	110.2	K24 A28 A29	K24-S26 PolarHBondContact O-N 3.19Å; S26-A28 PolarHBondContact O-N 3.43Å; S26-A29 PolarHBondContact O-N 3.5Å; S26-A29 VanDerWaalsContact O-N 3.13Å
27	P	56	Low	53.2	Low	111 Å²	111	119 Å²	119	72%	0.721	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-62.5	-16.3	-176.2	24	-33.2	0	0	0	113.5	A29 V30	P27-A29 VanDerWaalsContact C-N 3.29Å; P27-A29 PolarHBondContact O-N 3.37Å; P27-V30 PolarHBondContact O-N 2.87Å
28	A	51.5	Low	53.4	Low	75 Å²	75	122 Å²	122	62%	0.62	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-66.8	-27	176	0	0	0	0	0	113.4	S26	S26-A28 PolarHBondContact O-N 3.43Å
29	A	48.8	Very low	54.4	Low	53 Å²	53	124 Å²	124	44%	0.438	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-79.3	-17.3	179.8	0	0	0	0	0	113.7	S26 P27	S26-A29 PolarHBondContact O-N 3.5Å; S26-A29 VanDerWaalsContact O-N 3.13Å; P27-A29 VanDerWaalsContact C-N 3.29Å; P27-A29 PolarHBondContact O-N 3.37Å
30	V	55.9	Low	55.2	Low	86 Å²	86	122.8 Å²	122.8	52%	0.521	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-30.7	-176.3	-178.4	0	0	0	0	111.8	P27 C32	P27-V30 PolarHBondContact O-N 2.87Å; V30-C32 PolarHBondContact O-N 3.46Å
31	S	56.2	Low	56.3	Low	99 Å²	99	122.8 Å²	122.8	69%	0.692	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-20.7	-173.4	-166.8	0	0	0	0	114.4
32	C	50.2	Low	57.3	Low	113 Å²	113	122 Å²	122	76%	0.764	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-8.3	-178.6	-73.4	0	0	0	0	114.3	V30	V30-C32 PolarHBondContact O-N 3.46Å
33	I	58.8	Low	59	Low	124 Å²	124	119.5 Å²	119.5	64%	0.636	69%	0.688	S	S	*	*	S	Bend	trans	-81.2	-23.3	-176.1	-65.7	172.8	0	0	0	112.2	P35	I33-P35 WeakPolarHBondContact O-CD 3.42Å
34	F	60.2	Low	60.8	Low	158 Å²	158	122.1 Å²	122.1	69%	0.693	70%	0.697	S	S	*	*			trans	-102.9	92.9	175.5	-61.7	-81.1	0	0	0	109.4	T36	F34-T36 PolarHBondContact O-N 3.36Å
35	P	58.3	Low	62.9	Low	113 Å²	113	117.6 Å²	117.6	73%	0.734	67%	0.674	S	S	*	*			trans	-58.9	113.6	158.7	25.9	-30.5	0	0	0	106.8	I33 S37	I33-P35 WeakPolarHBondContact O-CD 3.42Å; P35-S37 PolarHBondContact O-N 3.34Å
36	T	62.4	Low	64.8	Low	135 Å²	135	119.8 Å²	119.8	83%	0.828	68%	0.678	S	S	*	*			trans	-67.1	85.2	164.4	51.6	0	0	0	0	106.6	F34 Q38	F34-T36 PolarHBondContact O-N 3.36Å; T36-Q38 PolarHBondContact O-N 3.17Å
37	S	66.2	Low	66.9	Low	97 Å²	97	120.5 Å²	120.5	68%	0.678	68%	0.676	S	S	*	*			trans	-63.7	110.1	174.4	55.9	0	0	0	0	108.2	P35 F39	P35-S37 PolarHBondContact O-N 3.34Å; S37-F39 PolarHBondContact O-N 2.98Å
38	Q	64.1	Low	68.5	Low	178 Å²	178	119 Å²	119	83%	0.832	66%	0.661	S	S	*	*			trans	-60.3	114.1	169.1	-177.1	176.6	-18.6	0	0	108	T36 H40	T36-Q38 PolarHBondContact O-N 3.17Å; Q38-H40 PolarHBondContact O-N 3.49Å
39	F	71.7	Confident	70.4	Confident	190 Å²	190	119.5 Å²	119.5	83%	0.833	65%	0.654	S	S	*	*			trans	-65.6	95.8	177.5	-120.5	-89.5	0	0	0	108.8	S37 T41	S37-F39 PolarHBondContact O-N 2.98Å; F39-T41 PolarHBondContact O-N 3.22Å
40	H	68.5	Low	72.4	Confident	162 Å²	162	120.7 Å²	120.7	75%	0.75	65%	0.65	S	S	*	*			trans	-80.8	107.1	173.1	-168.5	90.7	0	0	0	108.3	Q38 S42	Q38-H40 PolarHBondContact O-N 3.49Å; H40-S42 PolarHBondContact O-N 3.47Å
41	T	74.3	Confident	74.3	Confident	121 Å²	121	118.9 Å²	118.9	74%	0.742	64%	0.644	S	S	*	*			trans	-81.7	107	176.9	68.8	0	0	0	0	108.8	F39	F39-T41 PolarHBondContact O-N 3.22Å
42	S	72.3	Confident	76.1	Confident	78 Å²	78	116.8 Å²	116.8	55%	0.545	63%	0.633	S	S	.	*			trans	-75.9	162.5	164.8	58.5	0	0	0	0	110.6	H40	H40-S42 PolarHBondContact O-N 3.47Å
43	S	80.9	Confident	78.1	Confident	96 Å²	96	113.1 Å²	113.1	67%	0.671	60%	0.604	S	S	*	*			trans	-56.5	154.4	171	50.7	0	0	0	0	111.9	R45	S43-R45 WeakPolarHBondContact O-CG 3.1Å; S43-R45 PolarHBondContact O-N 3.01Å
44	I	82.6	Confident	79.8	Confident	158 Å²	158	114.3 Å²	114.3	81%	0.81	60%	0.601	S	S	*	*			trans	-59.6	108.7	175.7	-60.6	173.5	0	0	0	108.3
45	R	87.1	Confident	81.5	Confident	123 Å²	123	112.9 Å²	112.9	46%	0.464	60%	0.6	S	S	.	*			trans	-105.1	113.4	176.2	-50.6	-158.5	-80.3	133.7	-13.1	110.3	S43 D47 I48	S43-R45 WeakPolarHBondContact O-CG 3.1Å; S43-R45 PolarHBondContact O-N 3.01Å; R45-D47 WeakPolarHBondContact CB-OD1 3.49Å; R45-D47 IonicContact CZ-OD2 3.9Å; R45-D47 IonicContact NH1-OD1 3.39Å; R45-D47 PolarHBondContact NH1-OD1 2.98Å; R45-D47 IonicContact NH1-OD2 2.73Å; R45-D47 PolarHBondContact NH1-OD2 3.33Å; R45-D47 PolarHBondContact O-N 3.45Å; R45-I48 HydrophobicContact CB-CD1 4.06Å; R45-I48 HydrophobicContact CB-CG1 4.18Å; R45-I48 HydrophobicContact CG-CD1 4.43Å; R45-I48 PolarHBondContact O-N 3.45Å
46	K	86.6	Confident	83.3	Confident	170 Å²	170	108.9 Å²	108.9	74%	0.739	58%	0.579	S	S	*	*	H	α-helix	trans	-62.3	-24.9	-178.3	-64.2	-177.7	177.6	174.4	0	113.4	D49 Q50	K46-D49 PolarHBondContact O-N 3.11Å; K46-Q50 WeakPolarHBondContact O-CG 3.39Å; K46-Q50 PolarHBondContact O-N 3.38Å; K46-Q50 VanDerWaalsContact O-N 3.15Å
47	D	91.6	Very high	84.9	Confident	91 Å²	91	102.7 Å²	102.7	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-66.3	-37.3	177.6	63.2	-22.7	0	0	0	112.3	R45 Q50 A51	R45-D47 WeakPolarHBondContact CB-OD1 3.49Å; R45-D47 IonicContact CZ-OD2 3.9Å; R45-D47 IonicContact NH1-OD1 3.39Å; R45-D47 PolarHBondContact NH1-OD1 2.98Å; R45-D47 IonicContact NH1-OD2 2.73Å; R45-D47 PolarHBondContact NH1-OD2 3.33Å; R45-D47 PolarHBondContact O-N 3.45Å; D47-Q50 PolarHBondContact O-N 3.25Å; D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 2.98Å
48	I	91	Very high	86.3	Confident	78 Å²	78	100 Å²	100	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-45.6	175.5	-60.8	174.8	0	0	0	110	R45 Q50 A51 A52	R45-I48 HydrophobicContact CB-CD1 4.06Å; R45-I48 HydrophobicContact CB-CG1 4.18Å; R45-I48 HydrophobicContact CG-CD1 4.43Å; R45-I48 PolarHBondContact O-N 3.45Å; I48-Q50 VanDerWaalsContact C-N 3.33Å; I48-Q50 PolarHBondContact O-N 3.17Å; I48-A51 PolarHBondContact O-N 2.84Å; I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 3.46Å
49	D	90	Very high	87.8	Confident	87 Å²	87	94.5 Å²	94.5	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-41.6	179.8	-61	-33.8	0	0	0	111.2	K46 A52 K53	K46-D49 PolarHBondContact O-N 3.11Å; D49-A52 PolarHBondContact O-N 3.18Å; D49-K53 WeakPolarHBondContact O-CG 3.44Å; D49-K53 PolarHBondContact O-N 2.9Å
50	Q	92	Very high	88.9	Confident	77 Å²	77	86.9 Å²	86.9	36%	0.36	49%	0.486	S	S	.	.	H	α-helix	trans	-65.3	-42.8	174.4	-64.4	-50.6	-54.8	0	0	112	K46 D47 I48 A52 K53 Y54	K46-Q50 WeakPolarHBondContact O-CG 3.39Å; K46-Q50 PolarHBondContact O-N 3.38Å; K46-Q50 VanDerWaalsContact O-N 3.15Å; D47-Q50 PolarHBondContact O-N 3.25Å; I48-Q50 VanDerWaalsContact C-N 3.33Å; I48-Q50 PolarHBondContact O-N 3.17Å; Q50-A52 VanDerWaalsContact C-N 3.3Å; Q50-A52 PolarHBondContact O-N 3.45Å; Q50-K53 WeakPolarHBondContact O-CB 3.42Å; Q50-K53 PolarHBondContact O-N 3.14Å; Q50-K53 VanDerWaalsContact OE1-NZ 3.08Å; Q50-Y54 HydrophobicContact CB-CE2 4.24Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.38Å; Q50-Y54 PolarHBondContact O-N 3.39Å
51	A	94.6	Very high	90.2	Very high	48 Å²	48	81.7 Å²	81.7	40%	0.397	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-42.8	175.6	0	0	0	0	0	111.6	D47 I48 K53 Y54 I55	D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 2.98Å; I48-A51 PolarHBondContact O-N 2.84Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å; A51-Y54 PolarHBondContact O-N 3.42Å; A51-I55 WeakPolarHBondContact O-CG1 3.33Å; A51-I55 PolarHBondContact O-N 2.89Å
52	A	93.9	Very high	91.2	Very high	56 Å²	56	80.9 Å²	80.9	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.1	0	0	0	0	0	112	I48 D49 Q50 I55 G56	I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 3.46Å; D49-A52 PolarHBondContact O-N 3.18Å; Q50-A52 VanDerWaalsContact C-N 3.3Å; Q50-A52 PolarHBondContact O-N 3.45Å; A52-I55 PolarHBondContact O-N 2.91Å; A52-G56 PolarHBondContact O-N 3.4Å
53	K	93.3	Very high	92.2	Very high	36 Å²	36	79.2 Å²	79.2	16%	0.157	46%	0.455	C	S	.	.	H	α-helix	trans	-61.7	-44.9	173.9	-72.3	169.1	57.5	-173.6	0	112.5	D49 Q50 A51 I55 G56 A57 I117 F121	D49-K53 WeakPolarHBondContact O-CG 3.44Å; D49-K53 PolarHBondContact O-N 2.9Å; Q50-K53 WeakPolarHBondContact O-CB 3.42Å; Q50-K53 PolarHBondContact O-N 3.14Å; Q50-K53 VanDerWaalsContact OE1-NZ 3.08Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.08Å; K53-G56 PolarHBondContact O-N 2.93Å; K53-A57 VanDerWaalsContact O-CB 3.27Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 2.89Å; K53-I117 HydrophobicContact CB-CG2 4.13Å; K53-I117 WeakPolarHBondContact CE-O 3.26Å; K53-I117 HydrophobicContact CG-CG2 4.46Å; K53-I117 WeakPolarHBondContact O-CG2 3.27Å; K53-F121 VanDerWaalsContact CE-O 3.27Å; K53-F121 WeakPolarHBondContact CE-O 3.42Å; K53-F121 WeakPolarHBondContact CE-OXT 3.37Å; K53-F121 PolarHBondContact NZ-O 3Å; K53-F121 PolarHBondContact NZ-OXT 3.13Å
54	Y	94.7	Very high	92.8	Very high	148 Å²	148	76.6 Å²	76.6	58%	0.58	44%	0.437	S	S	*	.	H	α-helix	trans	-63.3	-40.9	177.7	-66.9	-60.3	0	0	0	112.2	Q50 A51 G58 L118	Q50-Y54 HydrophobicContact CB-CE2 4.24Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.38Å; Q50-Y54 PolarHBondContact O-N 3.39Å; A51-Y54 PolarHBondContact O-N 3.42Å; Y54-G58 PolarHBondContact O-N 3.41Å; Y54-L118 HydrophobicContact CD1-CD2 3.48Å; Y54-L118 VanDerWaalsContact CD1-CD2 3.48Å; Y54-L118 HydrophobicContact CE1-CD2 3.79Å; Y54-L118 HydrophobicContact CG-CD2 4.46Å
55	I	95.6	Very high	93.5	Very high	129 Å²	129	72.5 Å²	72.5	66%	0.662	43%	0.427	S	S	*	.	H	α-helix	trans	-65.1	-45.9	175.8	-65.7	169.2	0	0	0	110.4	A51 A52 K53 G58 A59	A51-I55 WeakPolarHBondContact O-CG1 3.33Å; A51-I55 PolarHBondContact O-N 2.89Å; A52-I55 PolarHBondContact O-N 2.91Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.08Å; I55-G58 PolarHBondContact O-N 3.01Å; I55-A59 WeakPolarHBondContact O-CB 3.13Å; I55-A59 PolarHBondContact O-N 3.4Å
56	G	95.4	Very high	93.8	Very high	28 Å²	28	69.1 Å²	69.1	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-41.3	177.8	0	0	0	0	0	112.9	A52 K53 A59 A60	A52-G56 PolarHBondContact O-N 3.4Å; K53-G56 PolarHBondContact O-N 2.93Å; G56-A59 PolarHBondContact O-N 3.28Å; G56-A60 WeakPolarHBondContact O-CB 3.35Å; G56-A60 PolarHBondContact O-N 3.1Å
57	A	96	Very high	94.3	Very high	6 Å²	6	61.8 Å²	61.8	5%	0.05	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-42.4	175.3	0	0	0	0	0	111.5	K53 A60 T61 A114 I117 L118	K53-A57 VanDerWaalsContact O-CB 3.27Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 2.89Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.78Å; A57-T61 PolarHBondContact O-N 3.28Å; A57-A114 WeakPolarHBondContact O-CB 3.01Å; A57-I117 HydrophobicContact CB-CB 4.2Å; A57-I117 HydrophobicContact CB-CG2 4.02Å; A57-L118 HydrophobicContact CB-CD1 4.4Å; A57-L118 HydrophobicContact CB-CD2 3.56Å; A57-L118 HydrophobicContact CB-CG 3.69Å
58	G	95.6	Very high	94.5	Very high	39 Å²	39	59.5 Å²	59.5	40%	0.402	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-43.6	173.6	0	0	0	0	0	112.7	Y54 I55 A60 T61	Y54-G58 PolarHBondContact O-N 3.41Å; I55-G58 PolarHBondContact O-N 3.01Å; G58-A60 VanDerWaalsContact C-N 3.26Å; G58-A60 PolarHBondContact O-N 3.43Å; G58-T61 PolarHBondContact O-N 2.9Å; G58-T61 PolarHBondContact O-OG1 2.88Å
59	A	95.9	Very high	94.7	Very high	63 Å²	63	59.1 Å²	59.1	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-63.2	-33.5	177	0	0	0	0	0	112.3	I55 G56 T61 V62	I55-A59 WeakPolarHBondContact O-CB 3.13Å; I55-A59 PolarHBondContact O-N 3.4Å; G56-A59 PolarHBondContact O-N 3.28Å; A59-T61 VanDerWaalsContact C-N 3.29Å; A59-T61 PolarHBondContact O-N 3.37Å; A59-V62 WeakPolarHBondContact O-CG2 3.3Å; A59-V62 PolarHBondContact O-N 3.39Å
60	A	95.4	Very high	95	Very high	30 Å²	30	56 Å²	56	25%	0.248	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-38.1	175.6	0	0	0	0	0	111.7	G56 A57 G58 V62 C110 A114 I117	G56-A60 WeakPolarHBondContact O-CB 3.35Å; G56-A60 PolarHBondContact O-N 3.1Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.78Å; G58-A60 VanDerWaalsContact C-N 3.26Å; G58-A60 PolarHBondContact O-N 3.43Å; A60-V62 PolarHBondContact O-N 2.79Å; A60-C110 PolarHBondContact O-SG 3.01Å; A60-A114 HydrophobicContact CB-CB 4.18Å; A60-I117 HydrophobicContact CB-CD1 4.22Å
61	T	95	Very high	95.2	Very high	53 Å²	53	54 Å²	54	33%	0.325	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-71.7	-9.1	-175.6	68.8	0	0	0	0	115	A57 G58 A59 G63 C64 C110 L111 A114	A57-T61 PolarHBondContact O-N 3.28Å; G58-T61 PolarHBondContact O-N 2.9Å; G58-T61 PolarHBondContact O-OG1 2.88Å; A59-T61 VanDerWaalsContact C-N 3.29Å; A59-T61 PolarHBondContact O-N 3.37Å; T61-G63 PolarHBondContact O-N 3.27Å; T61-G63 VanDerWaalsContact O-N 3.11Å; T61-C64 VanDerWaalsContact O-CB 3.24Å; T61-C64 WeakPolarHBondContact O-CB 3.33Å; T61-C64 PolarHBondContact O-N 3.13Å; T61-C64 PolarHBondContact O-SG 3.5Å; T61-C64 VanDerWaalsContact O-SG 3.42Å; T61-C110 WeakPolarHBondContact CA-SG 3.44Å; T61-L111 HydrophobicContact CG2-CD2 4.04Å; T61-A114 HydrophobicContact CG2-CB 3.59Å
62	V	94.9	Very high	95.3	Very high	104 Å²	104	54 Å²	54	63%	0.63	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.3	176.5	178.5	0	0	0	0	111.6	A59 A60 C64 A65	A59-V62 WeakPolarHBondContact O-CG2 3.3Å; A59-V62 PolarHBondContact O-N 3.39Å; A60-V62 PolarHBondContact O-N 2.79Å; V62-C64 PolarHBondContact O-N 3.04Å; V62-C64 VanDerWaalsContact O-N 3.16Å; V62-A65 VanDerWaalsContact O-CB 3.3Å; V62-A65 WeakPolarHBondContact O-CB 3.3Å; V62-A65 PolarHBondContact O-N 3.16Å
63	G	94.1	Very high	95.4	Very high	43 Å²	43	55.3 Å²	55.3	44%	0.443	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25.5	173	0	0	0	0	0	114.2	T61 A65 G66 S67 C110	T61-G63 PolarHBondContact O-N 3.27Å; T61-G63 VanDerWaalsContact O-N 3.11Å; G63-A65 PolarHBondContact O-N 3.14Å; G63-G66 PolarHBondContact O-N 3.41Å; G63-S67 PolarHBondContact O-N 3.06Å; G63-C110 VanDerWaalsContact CA-SG 3.59Å
64	C	94.6	Very high	95.5	Very high	41 Å²	41	55 Å²	55	28%	0.277	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-22.9	175.3	-63.4	0	0	0	0	113	T61 V62 G66 S67 G68 C110	T61-C64 VanDerWaalsContact O-CB 3.24Å; T61-C64 WeakPolarHBondContact O-CB 3.33Å; T61-C64 PolarHBondContact O-N 3.13Å; T61-C64 PolarHBondContact O-SG 3.5Å; T61-C64 VanDerWaalsContact O-SG 3.42Å; V62-C64 PolarHBondContact O-N 3.04Å; V62-C64 VanDerWaalsContact O-N 3.16Å; C64-G66 VanDerWaalsContact C-N 3.26Å; C64-G66 PolarHBondContact O-N 3.13Å; C64-S67 WeakPolarHBondContact CA-OG 3.39Å; C64-S67 PolarHBondContact O-N 3.39Å; C64-S67 PolarHBondContact O-OG 3.12Å; C64-G68 PolarHBondContact O-N 2.86Å; C64-C110 VanDerWaalsContact SG-SG 3.61Å
65	A	95.7	Very high	95.5	Very high	73 Å²	73	51.2 Å²	51.2	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-36.3	172.1	0	0	0	0	0	111.3	V62 G63 A69	V62-A65 VanDerWaalsContact O-CB 3.3Å; V62-A65 WeakPolarHBondContact O-CB 3.3Å; V62-A65 PolarHBondContact O-N 3.16Å; G63-A65 PolarHBondContact O-N 3.14Å; A65-A69 PolarHBondContact O-N 3.41Å
66	G	94.6	Very high	95.5	Very high	51 Å²	51	47.1 Å²	47.1	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-43	176.8	0	0	0	0	0	112.7	G63 C64 A69 G70	G63-G66 PolarHBondContact O-N 3.41Å; C64-G66 VanDerWaalsContact C-N 3.26Å; C64-G66 PolarHBondContact O-N 3.13Å; G66-A69 PolarHBondContact O-N 2.96Å; G66-G70 PolarHBondContact O-N 3.37Å
67	S	95.9	Very high	95.4	Very high	17 Å²	17	49.2 Å²	49.2	12%	0.119	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.3	57.1	0	0	0	0	111.4	G63 C64 A69 G70 I71 S103	G63-S67 PolarHBondContact O-N 3.06Å; C64-S67 WeakPolarHBondContact CA-OG 3.39Å; C64-S67 PolarHBondContact O-N 3.39Å; C64-S67 PolarHBondContact O-OG 3.12Å; S67-A69 PolarHBondContact O-N 3.36Å; S67-G70 CarbonylContact O-C 3.58Å; S67-G70 WeakPolarHBondContact O-CA 3.35Å; S67-G70 PolarHBondContact O-N 3.49Å; S67-G70 VanDerWaalsContact O-N 3.07Å; S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.1Å; S67-I71 PolarHBondContact O-N 3.06Å; S67-S103 VanDerWaalsContact CB-O 3.22Å; S67-S103 WeakPolarHBondContact CB-O 3.23Å
68	G	95.9	Very high	95.4	Very high	43 Å²	43	49.7 Å²	49.7	44%	0.443	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-43.7	175	0	0	0	0	0	113.3	C64 G70 I71 G72	C64-G68 PolarHBondContact O-N 2.86Å; G68-G70 VanDerWaalsContact C-N 3.33Å; G68-G70 PolarHBondContact O-N 3.43Å; G68-I71 PolarHBondContact O-N 3.49Å; G68-G72 PolarHBondContact O-N 3.49Å; G68-G72 VanDerWaalsContact O-N 3.12Å
69	A	96.4	Very high	95.3	Very high	70 Å²	70	52.2 Å²	52.2	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-39.1	173.1	0	0	0	0	0	112.2	A65 G66 S67 G72 S73	A65-A69 PolarHBondContact O-N 3.41Å; G66-A69 PolarHBondContact O-N 2.96Å; S67-A69 PolarHBondContact O-N 3.36Å; A69-G72 PolarHBondContact O-N 3.07Å; A69-S73 PolarHBondContact O-N 3.36Å; A69-S73 VanDerWaalsContact O-N 3.08Å
70	G	96.1	Very high	95.2	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-60.1	-47.6	173.7	0	0	0	0	0	112.6	G66 S67 G68 G72 S73 V74	G66-G70 PolarHBondContact O-N 3.37Å; S67-G70 CarbonylContact O-C 3.58Å; S67-G70 WeakPolarHBondContact O-CA 3.35Å; S67-G70 PolarHBondContact O-N 3.49Å; S67-G70 VanDerWaalsContact O-N 3.07Å; G68-G70 VanDerWaalsContact C-N 3.33Å; G68-G70 PolarHBondContact O-N 3.43Å; G70-G72 VanDerWaalsContact C-N 3.32Å; G70-G72 PolarHBondContact O-N 3.19Å; G70-S73 PolarHBondContact O-N 3.13Å; G70-S73 VanDerWaalsContact O-N 3.13Å; G70-V74 WeakPolarHBondContact O-CG2 3.48Å; G70-V74 PolarHBondContact O-N 2.99Å
71	I	96.4	Very high	95.2	Very high	33 Å²	33	53.7 Å²	53.7	17%	0.169	39%	0.393	C	S	.	.	H	α-helix	trans	-57.1	-47	177.3	-61.8	-29.9	0	0	0	110.5	S67 G68 S73 V74 F75 F100 E104	S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.1Å; S67-I71 PolarHBondContact O-N 3.06Å; G68-I71 PolarHBondContact O-N 3.49Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.36Å; I71-V74 PolarHBondContact O-N 2.89Å; I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.65Å; I71-F75 WeakPolarHBondContact O-CD2 3.47Å; I71-F75 PolarHBondContact O-N 3.35Å; I71-F100 HydrophobicContact CD1-CD2 3.55Å; I71-F100 HydrophobicContact CD1-CE2 3.85Å; I71-F100 HydrophobicContact CG1-CD2 4.26Å; I71-F100 HydrophobicContact CG1-CE2 4.19Å; I71-F100 HydrophobicContact CG2-CD2 4.3Å; I71-F100 HydrophobicContact CG2-CE2 4.31Å; I71-E104 HydrophobicContact CD1-CG 4.38Å
72	G	96.3	Very high	95.1	Very high	48 Å²	48	54.4 Å²	54.4	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-40	177.5	0	0	0	0	0	113	G68 A69 G70 G76	G68-G72 PolarHBondContact O-N 3.49Å; G68-G72 VanDerWaalsContact O-N 3.12Å; A69-G72 PolarHBondContact O-N 3.07Å; G70-G72 VanDerWaalsContact C-N 3.32Å; G70-G72 PolarHBondContact O-N 3.19Å; G72-G76 WeakPolarHBondContact O-CA 3.24Å; G72-G76 PolarHBondContact O-N 2.82Å
73	S	95.7	Very high	95	Very high	84 Å²	84	53.4 Å²	53.4	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-69.8	-44.5	178.4	-169.6	0	0	0	0	112.7	A69 G70 I71 S77	A69-S73 PolarHBondContact O-N 3.36Å; A69-S73 VanDerWaalsContact O-N 3.08Å; G70-S73 PolarHBondContact O-N 3.13Å; G70-S73 VanDerWaalsContact O-N 3.13Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.36Å; S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 3.44Å; S73-S77 PolarHBondContact O-OG 3.45Å
74	V	96	Very high	95.1	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.176	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-49.2	179.3	174.2	0	0	0	0	110.6	G70 I71 S77 L78 A96	G70-V74 WeakPolarHBondContact O-CG2 3.48Å; G70-V74 PolarHBondContact O-N 2.99Å; I71-V74 PolarHBondContact O-N 2.89Å; V74-S77 PolarHBondContact O-OG 2.95Å; V74-L78 WeakPolarHBondContact O-CB 3.33Å; V74-L78 PolarHBondContact O-N 3.16Å; V74-A96 HydrophobicContact CG1-CB 4.29Å
75	F	94.8	Very high	94.9	Very high	70 Å²	70	62.5 Å²	62.5	31%	0.307	42%	0.415	S	S	.	.	H	α-helix	trans	-76.6	-30	-179.3	-71.2	-63.3	0	0	0	113.7	I71 L78 T79 F100	I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.65Å; I71-F75 WeakPolarHBondContact O-CD2 3.47Å; I71-F75 PolarHBondContact O-N 3.35Å; F75-L78 HydrophobicContact CD1-CD2 3.96Å; F75-L78 HydrophobicContact CE1-CD2 4.37Å; F75-L78 PolarHBondContact O-N 3.24Å; F75-T79 PolarHBondContact O-N 3.24Å; F75-T79 PolarHBondContact O-OG1 2.82Å; F75-F100 HydrophobicContact CE2-CB 4.3Å; F75-F100 AromaticContact CE2-CD2 3.37Å; F75-F100 HydrophobicContact CE2-CD2 3.37Å; F75-F100 AromaticContact CE2-CE2 3.98Å; F75-F100 HydrophobicContact CE2-CE2 3.98Å; F75-F100 HydrophobicContact CE2-CG 4.06Å; F75-F100 HydrophobicContact CZ-CB 3.99Å; F75-F100 AromaticContact CZ-CD2 3.67Å; F75-F100 HydrophobicContact CZ-CD2 3.67Å; F75-F100 HydrophobicContact CZ-CE2 4.4Å; F75-F100 AromaticContact CZ-CG 3.89Å; F75-F100 HydrophobicContact CZ-CG 3.89Å
76	G	95.4	Very high	94.5	Very high	43 Å²	43	63.5 Å²	63.5	44%	0.443	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-47.1	172.6	0	0	0	0	0	111.8	G72 T79 L80	G72-G76 WeakPolarHBondContact O-CA 3.24Å; G72-G76 PolarHBondContact O-N 2.82Å; G76-T79 PolarHBondContact O-N 3.5Å; G76-L80 PolarHBondContact O-N 3.11Å
77	S	93.7	Very high	94.4	Very high	71 Å²	71	64.7 Å²	64.7	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-68.2	-36.7	175.7	59.2	0	0	0	0	112.7	S73 V74 T79 L80 A81	S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 3.44Å; S73-S77 PolarHBondContact O-OG 3.45Å; V74-S77 PolarHBondContact O-OG 2.95Å; S77-T79 PolarHBondContact O-N 3.45Å; S77-L80 PolarHBondContact O-N 2.99Å; S77-A81 VanDerWaalsContact O-CB 3.31Å; S77-A81 WeakPolarHBondContact O-CB 3.23Å; S77-A81 PolarHBondContact O-N 3.44Å
78	L	94.5	Very high	94	Very high	17 Å²	17	68.1 Å²	68.1	9%	0.089	44%	0.444	C	S	.	.	H	α-helix	trans	-58.6	-48.4	174.2	-179.2	64.4	0	0	0	112	V74 F75 L80 A81 Y82 L92 F93 A96	V74-L78 WeakPolarHBondContact O-CB 3.33Å; V74-L78 PolarHBondContact O-N 3.16Å; F75-L78 HydrophobicContact CD1-CD2 3.96Å; F75-L78 HydrophobicContact CE1-CD2 4.37Å; F75-L78 PolarHBondContact O-N 3.24Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.9Å; L78-A81 PolarHBondContact O-N 3.3Å; L78-Y82 HydrophobicContact CD1-CD1 4.04Å; L78-Y82 HydrophobicContact CD1-CE1 3.47Å; L78-Y82 VanDerWaalsContact CD1-CE1 3.47Å; L78-Y82 HydrophobicContact CD1-CE2 4.17Å; L78-Y82 HydrophobicContact CD2-CE2 4.13Å; L78-Y82 HydrophobicContact CG-CD2 4.36Å; L78-Y82 HydrophobicContact CG-CE1 4.16Å; L78-Y82 HydrophobicContact CG-CE2 3.97Å; L78-Y82 PolarHBondContact O-N 3.49Å; L78-L92 HydrophobicContact CD1-CB 3.98Å; L78-F93 HydrophobicContact CD2-CD2 4.47Å; L78-A96 HydrophobicContact CB-CB 4.25Å; L78-A96 HydrophobicContact CD1-CB 3.68Å; L78-A96 HydrophobicContact CD2-CB 3.58Å; L78-A96 HydrophobicContact CG-CB 4.01Å
79	T	94	Very high	93.7	Very high	91 Å²	91	72.3 Å²	72.3	56%	0.558	45%	0.45	S	S	*	.	H	α-helix	trans	-63.7	-42.7	-177.8	-56.5	0	0	0	0	111	F75 G76 S77 A81 Y82 A83	F75-T79 PolarHBondContact O-N 3.24Å; F75-T79 PolarHBondContact O-OG1 2.82Å; G76-T79 PolarHBondContact O-N 3.5Å; S77-T79 PolarHBondContact O-N 3.45Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 3.23Å; T79-Y82 PolarHBondContact O-N 3.25Å; T79-A83 PolarHBondContact O-N 3.42Å
80	L	94.6	Very high	93.4	Very high	91 Å²	91	75.2 Å²	75.2	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-39.9	175.1	-178.5	60.5	0	0	0	112	G76 S77 L78 A83 R84	G76-L80 PolarHBondContact O-N 3.11Å; S77-L80 PolarHBondContact O-N 2.99Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.9Å; L80-A83 PolarHBondContact O-N 3.03Å; L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 2.89Å
81	A	94	Very high	93.2	Very high	34 Å²	34	79.8 Å²	79.8	28%	0.281	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-37.3	178.4	0	0	0	0	0	112.2	S77 L78 T79 R84 N85 L92	S77-A81 VanDerWaalsContact O-CB 3.31Å; S77-A81 WeakPolarHBondContact O-CB 3.23Å; S77-A81 PolarHBondContact O-N 3.44Å; L78-A81 PolarHBondContact O-N 3.3Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 3.23Å; A81-R84 PolarHBondContact O-N 2.99Å; A81-N85 PolarHBondContact O-N 3.2Å; A81-L92 HydrophobicContact CB-CD2 3.47Å; A81-L92 VanDerWaalsContact CB-CD2 3.47Å
82	Y	93.2	Very high	93	Very high	67 Å²	67	80.2 Å²	80.2	26%	0.263	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-42.5	171.9	-77.4	-4.3	0	0	0	112.9	L78 T79 R84 N85 K89 L92 F93	L78-Y82 HydrophobicContact CD1-CD1 4.04Å; L78-Y82 HydrophobicContact CD1-CE1 3.47Å; L78-Y82 VanDerWaalsContact CD1-CE1 3.47Å; L78-Y82 HydrophobicContact CD1-CE2 4.17Å; L78-Y82 HydrophobicContact CD2-CE2 4.13Å; L78-Y82 HydrophobicContact CG-CD2 4.36Å; L78-Y82 HydrophobicContact CG-CE1 4.16Å; L78-Y82 HydrophobicContact CG-CE2 3.97Å; L78-Y82 PolarHBondContact O-N 3.49Å; T79-Y82 PolarHBondContact O-N 3.25Å; Y82-R84 PolarHBondContact O-N 2.84Å; Y82-N85 CarbonylContact O-C 3.56Å; Y82-N85 PolarHBondContact O-N 2.91Å; Y82-K89 HydrophobicContact CD1-CB 4.43Å; Y82-K89 HydrophobicContact CE1-CB 4.08Å; Y82-K89 WeakPolarHBondContact CE1-O 3.07Å; Y82-K89 PolarHBondContact OH-O 2.77Å; Y82-L92 HydrophobicContact CD1-CB 4.2Å; Y82-L92 HydrophobicContact CD1-CD2 3.92Å; Y82-L92 HydrophobicContact CE1-CB 3.6Å; Y82-L92 HydrophobicContact CE1-CD2 4.19Å; Y82-F93 WeakPolarHBondContact OH-CA 3.24Å; Y82-F93 WeakPolarHBondContact OH-CB 3.27Å; Y82-F93 WeakPolarHBondContact OH-CD2 3.22Å; Y82-F93 PolarHBondContact OH-N 3.17Å
83	A	94.3	Very high	92.9	Very high	83 Å²	83	82.2 Å²	82.2	69%	0.686	47%	0.465	S	S	*	.	H	α-helix	trans	-63	-32	177.1	0	0	0	0	0	112.1	T79 L80	T79-A83 PolarHBondContact O-N 3.42Å; L80-A83 PolarHBondContact O-N 3.03Å
84	R	94.3	Very high	92.8	Very high	176 Å²	176	81.8 Å²	81.8	66%	0.664	46%	0.459	S	S	*	.	H	α-helix	trans	-78.7	-40	179	-70.6	175.4	179.6	-171	-0	113.2	L80 A81 Y82	L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 2.89Å; A81-R84 PolarHBondContact O-N 2.99Å; Y82-R84 PolarHBondContact O-N 2.84Å
85	N	90.2	Very high	92.7	Very high	100 Å²	100	88 Å²	88	54%	0.535	48%	0.48	S	S	.	.			trans	-144.1	82.8	-174.7	-70.8	-69.5	0	0	0	111.9	A81 Y82 G87 L88	A81-N85 PolarHBondContact O-N 3.2Å; Y82-N85 CarbonylContact O-C 3.56Å; Y82-N85 PolarHBondContact O-N 2.91Å; N85-G87 PolarHBondContact O-N 3.22Å; N85-L88 PolarHBondContact O-N 3.36Å
86	P	88.5	Confident	92.8	Very high	93 Å²	93	85 Å²	85	60%	0.604	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.9	-178.2	25.7	-34.3	0	0	0	113.7	L88 K89	P86-L88 VanDerWaalsContact C-N 3.28Å; P86-L88 PolarHBondContact O-N 3.05Å; P86-K89 PolarHBondContact O-N 3.47Å
87	G	92.5	Very high	92.8	Very high	76 Å²	76	86.3 Å²	86.3	78%	0.784	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-65.3	-24.4	178.6	0	0	0	0	0	114.8	N85	N85-G87 PolarHBondContact O-N 3.22Å
88	L	87.6	Confident	92.9	Very high	89 Å²	89	87.8 Å²	87.8	47%	0.466	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-102.6	16.4	-176.9	-63.2	175.2	0	0	0	113.5	N85 P86 Q90 Q91 L92	N85-L88 PolarHBondContact O-N 3.36Å; P86-L88 VanDerWaalsContact C-N 3.28Å; P86-L88 PolarHBondContact O-N 3.05Å; L88-Q90 VanDerWaalsContact C-N 3.29Å; L88-Q90 PolarHBondContact O-N 3Å; L88-Q90 VanDerWaalsContact O-N 3.14Å; L88-Q91 PolarHBondContact O-N 3.42Å; L88-L92 HydrophobicContact CB-CD1 3.83Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 PolarHBondContact O-N 2.92Å
89	K	89.6	Confident	92.9	Very high	132 Å²	132	88 Å²	88	57%	0.574	47%	0.472	S	S	*	.	H	α-helix	trans	-51.2	-41.5	-173	65.5	-171.7	-180	105.8	0	114.5	Y82 P86 F93	Y82-K89 HydrophobicContact CD1-CB 4.43Å; Y82-K89 HydrophobicContact CE1-CB 4.08Å; Y82-K89 WeakPolarHBondContact CE1-O 3.07Å; Y82-K89 PolarHBondContact OH-O 2.77Å; P86-K89 PolarHBondContact O-N 3.47Å; K89-F93 WeakPolarHBondContact O-CB 3.46Å; K89-F93 PolarHBondContact O-N 3.47Å
90	Q	90.7	Very high	92.9	Very high	130 Å²	130	86.7 Å²	86.7	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-67.8	-43.3	-174.6	-170.2	64.9	21	0	0	112.3	L88 F93 T94	L88-Q90 VanDerWaalsContact C-N 3.29Å; L88-Q90 PolarHBondContact O-N 3Å; L88-Q90 VanDerWaalsContact O-N 3.14Å; Q90-F93 PolarHBondContact O-N 3.36Å; Q90-T94 PolarHBondContact O-N 3.39Å; Q90-T94 VanDerWaalsContact O-N 3.13Å; Q90-T94 PolarHBondContact O-OG1 3.46Å; Q90-T94 VanDerWaalsContact O-OG1 3.1Å
91	Q	91.7	Very high	93	Very high	119 Å²	119	84.8 Å²	84.8	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-69.9	-44.4	179.6	-68.7	-178.2	-1.2	0	0	111.1	L88 F93 T94 Y95	L88-Q91 PolarHBondContact O-N 3.42Å; Q91-F93 VanDerWaalsContact C-N 3.27Å; Q91-F93 PolarHBondContact O-N 3.41Å; Q91-T94 PolarHBondContact O-N 3.31Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.46Å; Q91-Y95 PolarHBondContact O-N 2.87Å; Q91-Y95 VanDerWaalsContact O-N 3.11Å
92	L	92.2	Very high	93	Very high	41 Å²	41	89.1 Å²	89.1	22%	0.215	47%	0.474	C	S	.	.	H	α-helix	trans	-59.8	-39.5	175.6	-92.7	66.9	0	0	0	111.4	L78 A81 Y82 L88 Y95 A96	L78-L92 HydrophobicContact CD1-CB 3.98Å; A81-L92 HydrophobicContact CB-CD2 3.47Å; A81-L92 VanDerWaalsContact CB-CD2 3.47Å; Y82-L92 HydrophobicContact CD1-CB 4.2Å; Y82-L92 HydrophobicContact CD1-CD2 3.92Å; Y82-L92 HydrophobicContact CE1-CB 3.6Å; Y82-L92 HydrophobicContact CE1-CD2 4.19Å; L88-L92 HydrophobicContact CB-CD1 3.83Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 PolarHBondContact O-N 2.92Å; L92-Y95 PolarHBondContact O-N 3.17Å; L92-A96 WeakPolarHBondContact O-CB 3.35Å; L92-A96 PolarHBondContact O-N 3.42Å
93	F	92.8	Very high	93.2	Very high	91 Å²	91	87 Å²	87	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-46.4	175	-166.8	-124.1	0	0	0	111.9	L78 Y82 K89 Q90 Q91 Y95 A96 I97	L78-F93 HydrophobicContact CD2-CD2 4.47Å; Y82-F93 WeakPolarHBondContact OH-CA 3.24Å; Y82-F93 WeakPolarHBondContact OH-CB 3.27Å; Y82-F93 WeakPolarHBondContact OH-CD2 3.22Å; Y82-F93 PolarHBondContact OH-N 3.17Å; K89-F93 WeakPolarHBondContact O-CB 3.46Å; K89-F93 PolarHBondContact O-N 3.47Å; Q90-F93 PolarHBondContact O-N 3.36Å; Q91-F93 VanDerWaalsContact C-N 3.27Å; Q91-F93 PolarHBondContact O-N 3.41Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.38Å; F93-A96 PolarHBondContact O-N 3.13Å; F93-A96 VanDerWaalsContact O-N 3.16Å; F93-I97 HydrophobicContact CD1-CG1 4.24Å; F93-I97 HydrophobicContact CD2-CG1 4.25Å; F93-I97 HydrophobicContact CE1-CD1 4.34Å; F93-I97 HydrophobicContact CE1-CG1 3.9Å; F93-I97 HydrophobicContact CE2-CD1 3.78Å; F93-I97 HydrophobicContact CE2-CG1 3.91Å; F93-I97 HydrophobicContact CG-CG1 4.41Å; F93-I97 HydrophobicContact CZ-CD1 3.68Å; F93-I97 HydrophobicContact CZ-CG1 3.73Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 3.47Å
94	T	95.3	Very high	93.2	Very high	75 Å²	75	86.4 Å²	86.4	46%	0.46	45%	0.452	S	S	.	.	H	α-helix	trans	-58.3	-43.6	178.8	-57.9	0	0	0	0	111.6	Q90 Q91 I97 L98	Q90-T94 PolarHBondContact O-N 3.39Å; Q90-T94 VanDerWaalsContact O-N 3.13Å; Q90-T94 PolarHBondContact O-OG1 3.46Å; Q90-T94 VanDerWaalsContact O-OG1 3.1Å; Q91-T94 PolarHBondContact O-N 3.31Å; T94-I97 PolarHBondContact O-N 3.33Å; T94-L98 WeakPolarHBondContact O-CG 3.46Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-L98 VanDerWaalsContact O-N 3.14Å
95	Y	93.9	Very high	93.3	Very high	159 Å²	159	80.1 Å²	80.1	62%	0.624	44%	0.438	S	S	*	.	H	α-helix	trans	-68.4	-37.9	175.9	-65.8	-56.6	0	0	0	113	Q91 L92 F93 L98 G99	Q91-Y95 WeakPolarHBondContact O-CD2 3.46Å; Q91-Y95 PolarHBondContact O-N 2.87Å; Q91-Y95 VanDerWaalsContact O-N 3.11Å; L92-Y95 PolarHBondContact O-N 3.17Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.38Å; Y95-L98 HydrophobicContact CD1-CD1 4.45Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.18Å; Y95-G99 PolarHBondContact O-N 3.07Å
96	A	95.3	Very high	93.5	Very high	8 Å²	8	81.2 Å²	81.2	7%	0.066	44%	0.442	C	S	.	.	H	α-helix	trans	-67.1	-36.4	177.1	0	0	0	0	0	112.6	V74 L78 L92 F93 L98 G99 F100	V74-A96 HydrophobicContact CG1-CB 4.29Å; L78-A96 HydrophobicContact CB-CB 4.25Å; L78-A96 HydrophobicContact CD1-CB 3.68Å; L78-A96 HydrophobicContact CD2-CB 3.58Å; L78-A96 HydrophobicContact CG-CB 4.01Å; L92-A96 WeakPolarHBondContact O-CB 3.35Å; L92-A96 PolarHBondContact O-N 3.42Å; F93-A96 PolarHBondContact O-N 3.13Å; F93-A96 VanDerWaalsContact O-N 3.16Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-G99 PolarHBondContact O-N 3.5Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.79Å
97	I	95.8	Very high	93.9	Very high	70 Å²	70	77 Å²	77	36%	0.359	42%	0.415	S	S	.	.	H	α-helix	trans	-66.8	-36.9	173.4	-65.6	-56.7	0	0	0	111.1	F93 T94 F100 A101	F93-I97 HydrophobicContact CD1-CG1 4.24Å; F93-I97 HydrophobicContact CD2-CG1 4.25Å; F93-I97 HydrophobicContact CE1-CD1 4.34Å; F93-I97 HydrophobicContact CE1-CG1 3.9Å; F93-I97 HydrophobicContact CE2-CD1 3.78Å; F93-I97 HydrophobicContact CE2-CG1 3.91Å; F93-I97 HydrophobicContact CG-CG1 4.41Å; F93-I97 HydrophobicContact CZ-CD1 3.68Å; F93-I97 HydrophobicContact CZ-CG1 3.73Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 3.47Å; T94-I97 PolarHBondContact O-N 3.33Å; I97-F100 PolarHBondContact O-N 2.92Å; I97-A101 VanDerWaalsContact O-CB 3.23Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å
98	L	95.1	Very high	94	Very high	102 Å²	102	78 Å²	78	53%	0.534	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-44.8	170.7	-72.1	173.6	0	0	0	111.8	T94 Y95 A96 A101 L102	T94-L98 WeakPolarHBondContact O-CG 3.46Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-L98 VanDerWaalsContact O-N 3.14Å; Y95-L98 HydrophobicContact CD1-CD1 4.45Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.18Å; A96-L98 VanDerWaalsContact C-N 3.34Å; L98-A101 PolarHBondContact O-N 2.8Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.84Å
99	G	95.1	Very high	94.4	Very high	20 Å²	20	79.7 Å²	79.7	21%	0.206	41%	0.406	C	S	.	.	H	α-helix	trans	-62.7	-40.7	175.7	0	0	0	0	0	113.2	Y95 A96 S103	Y95-G99 PolarHBondContact O-N 3.07Å; A96-G99 PolarHBondContact O-N 3.5Å; G99-S103 WeakPolarHBondContact O-CB 3.48Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 PolarHBondContact O-OG 3.43Å
100	F	94.7	Very high	94.7	Very high	65 Å²	65	74 Å²	74	29%	0.285	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-48.8	173.4	173.6	-104	0	0	0	111.1	I71 F75 A96 I97 L102 S103 E104	I71-F100 HydrophobicContact CD1-CD2 3.55Å; I71-F100 HydrophobicContact CD1-CE2 3.85Å; I71-F100 HydrophobicContact CG1-CD2 4.26Å; I71-F100 HydrophobicContact CG1-CE2 4.19Å; I71-F100 HydrophobicContact CG2-CD2 4.3Å; I71-F100 HydrophobicContact CG2-CE2 4.31Å; F75-F100 HydrophobicContact CE2-CB 4.3Å; F75-F100 AromaticContact CE2-CD2 3.37Å; F75-F100 HydrophobicContact CE2-CD2 3.37Å; F75-F100 AromaticContact CE2-CE2 3.98Å; F75-F100 HydrophobicContact CE2-CE2 3.98Å; F75-F100 HydrophobicContact CE2-CG 4.06Å; F75-F100 HydrophobicContact CZ-CB 3.99Å; F75-F100 AromaticContact CZ-CD2 3.67Å; F75-F100 HydrophobicContact CZ-CD2 3.67Å; F75-F100 HydrophobicContact CZ-CE2 4.4Å; F75-F100 AromaticContact CZ-CG 3.89Å; F75-F100 HydrophobicContact CZ-CG 3.89Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.79Å; I97-F100 PolarHBondContact O-N 2.92Å; F100-L102 VanDerWaalsContact C-N 3.31Å; F100-L102 PolarHBondContact O-N 3.31Å; F100-S103 PolarHBondContact O-N 3.14Å; F100-S103 VanDerWaalsContact O-N 3.13Å; F100-E104 HydrophobicContact CD1-CG 4.26Å; F100-E104 HydrophobicContact CD2-CG 4.11Å; F100-E104 HydrophobicContact CE1-CG 3.75Å; F100-E104 HydrophobicContact CE2-CG 3.54Å; F100-E104 WeakPolarHBondContact CE2-OE1 3.46Å; F100-E104 HydrophobicContact CG-CG 4.43Å; F100-E104 HydrophobicContact CZ-CG 3.34Å; F100-E104 WeakPolarHBondContact CZ-OE1 3.27Å; F100-E104 WeakPolarHBondContact O-CB 3.5Å; F100-E104 PolarHBondContact O-N 3.18Å
101	A	96.4	Very high	94.8	Very high	51 Å²	51	70.7 Å²	70.7	42%	0.421	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-41.3	179.5	0	0	0	0	0	112.1	I97 L98 A105	I97-A101 VanDerWaalsContact O-CB 3.23Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å; L98-A101 PolarHBondContact O-N 2.8Å; A101-A105 VanDerWaalsContact O-CB 3.24Å; A101-A105 WeakPolarHBondContact O-CB 3.43Å; A101-A105 PolarHBondContact O-N 3.33Å
102	L	95.1	Very high	95.1	Very high	124 Å²	124	68.4 Å²	68.4	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-67.8	-39.7	175.5	-68.8	175.9	0	0	0	112.3	L98 F100 A105 M106	L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.84Å; F100-L102 VanDerWaalsContact C-N 3.31Å; F100-L102 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 3.03Å; L102-M106 PolarHBondContact O-N 3.06Å
103	S	95.6	Very high	95.3	Very high	23 Å²	23	69.8 Å²	69.8	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-68.6	-41.4	178.9	-58.6	0	0	0	0	111.9	S67 G99 F100 M106 G107	S67-S103 VanDerWaalsContact CB-O 3.22Å; S67-S103 WeakPolarHBondContact CB-O 3.23Å; G99-S103 WeakPolarHBondContact O-CB 3.48Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 PolarHBondContact O-OG 3.43Å; F100-S103 PolarHBondContact O-N 3.14Å; F100-S103 VanDerWaalsContact O-N 3.13Å; S103-M106 PolarHBondContact O-N 2.87Å; S103-G107 PolarHBondContact O-N 3.29Å
104	E	94.9	Very high	95.4	Very high	70 Å²	70	65.8 Å²	65.8	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-41.3	171	-76.8	-64.5	162	0	0	111.5	I71 F100 M106 G107 L108	I71-E104 HydrophobicContact CD1-CG 4.38Å; F100-E104 HydrophobicContact CD1-CG 4.26Å; F100-E104 HydrophobicContact CD2-CG 4.11Å; F100-E104 HydrophobicContact CE1-CG 3.75Å; F100-E104 HydrophobicContact CE2-CG 3.54Å; F100-E104 WeakPolarHBondContact CE2-OE1 3.46Å; F100-E104 HydrophobicContact CG-CG 4.43Å; F100-E104 HydrophobicContact CZ-CG 3.34Å; F100-E104 WeakPolarHBondContact CZ-OE1 3.27Å; F100-E104 WeakPolarHBondContact O-CB 3.5Å; F100-E104 PolarHBondContact O-N 3.18Å; E104-M106 PolarHBondContact O-N 3.2Å; E104-G107 CarbonylContact O-C 3.56Å; E104-G107 WeakPolarHBondContact O-CA 3.34Å; E104-G107 PolarHBondContact O-N 3.46Å; E104-L108 PolarHBondContact O-N 3.05Å
105	A	96.6	Very high	95.4	Very high	45 Å²	45	67.7 Å²	67.7	37%	0.372	35%	0.354	S	S	.	.	H	α-helix	trans	-58.3	-37.3	177.9	0	0	0	0	0	112.3	A101 L102 F109	A101-A105 VanDerWaalsContact O-CB 3.24Å; A101-A105 WeakPolarHBondContact O-CB 3.43Å; A101-A105 PolarHBondContact O-N 3.33Å; L102-A105 PolarHBondContact O-N 3.03Å; A105-F109 VanDerWaalsContact O-CB 3.27Å; A105-F109 WeakPolarHBondContact O-CB 3.37Å; A105-F109 PolarHBondContact O-N 3.34Å
106	M	94.7	Very high	95.4	Very high	123 Å²	123	63.1 Å²	63.1	61%	0.606	34%	0.341	S	S	*	.	H	α-helix	trans	-69.4	-36.5	173.6	-66.5	-63	98.4	0	0	112.7	L102 S103 E104 F109 C110	L102-M106 PolarHBondContact O-N 3.06Å; S103-M106 PolarHBondContact O-N 2.87Å; E104-M106 PolarHBondContact O-N 3.2Å; M106-F109 PolarHBondContact O-N 2.91Å; M106-C110 PolarHBondContact O-N 3.01Å
107	G	96.4	Very high	95.4	Very high	4 Å²	4	65 Å²	65	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-45.2	173.4	0	0	0	0	0	112.5	S103 E104 F109 C110 L111	S103-G107 PolarHBondContact O-N 3.29Å; E104-G107 CarbonylContact O-C 3.56Å; E104-G107 WeakPolarHBondContact O-CA 3.34Å; E104-G107 PolarHBondContact O-N 3.46Å; G107-F109 VanDerWaalsContact C-N 3.33Å; G107-F109 PolarHBondContact O-N 3.18Å; G107-C110 VanDerWaalsContact O-CB 3.31Å; G107-C110 WeakPolarHBondContact O-CB 3.08Å; G107-C110 PolarHBondContact O-N 3.29Å; G107-L111 PolarHBondContact O-N 3.41Å
108	L	95.3	Very high	95.2	Very high	98 Å²	98	64.1 Å²	64.1	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-36.8	175.2	-69	-171.6	0	0	0	111.8	E104 C110 L111 V112	E104-L108 PolarHBondContact O-N 3.05Å; L108-C110 VanDerWaalsContact C-N 3.26Å; L108-C110 PolarHBondContact O-N 3.47Å; L108-L111 HydrophobicContact CD2-CD1 4.18Å; L108-L111 PolarHBondContact O-N 3.2Å; L108-V112 WeakPolarHBondContact O-CB 3.44Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.06Å; L108-V112 PolarHBondContact O-N 2.96Å
109	F	95.5	Very high	95	Very high	123 Å²	123	68 Å²	68	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-57.6	-42.5	174	179.1	-104.8	0	0	0	111.8	A105 M106 G107 V112 M113	A105-F109 VanDerWaalsContact O-CB 3.27Å; A105-F109 WeakPolarHBondContact O-CB 3.37Å; A105-F109 PolarHBondContact O-N 3.34Å; M106-F109 PolarHBondContact O-N 2.91Å; G107-F109 VanDerWaalsContact C-N 3.33Å; G107-F109 PolarHBondContact O-N 3.18Å; F109-V112 PolarHBondContact O-N 2.86Å; F109-M113 HydrophobicContact CD2-CE 4.43Å; F109-M113 HydrophobicContact CE1-CG 4.5Å; F109-M113 HydrophobicContact CE2-CE 3.79Å; F109-M113 HydrophobicContact CZ-CE 4.01Å; F109-M113 WeakPolarHBondContact O-CG 3.41Å; F109-M113 PolarHBondContact O-N 2.93Å; F109-M113 VanDerWaalsContact O-N 3.07Å
110	C	95.4	Very high	94.9	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.081	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-44	174.8	164.5	0	0	0	0	112.3	A60 T61 G63 C64 M106 G107 L108 V112 M113 A114	A60-C110 PolarHBondContact O-SG 3.01Å; T61-C110 WeakPolarHBondContact CA-SG 3.44Å; G63-C110 VanDerWaalsContact CA-SG 3.59Å; C64-C110 VanDerWaalsContact SG-SG 3.61Å; M106-C110 PolarHBondContact O-N 3.01Å; G107-C110 VanDerWaalsContact O-CB 3.31Å; G107-C110 WeakPolarHBondContact O-CB 3.08Å; G107-C110 PolarHBondContact O-N 3.29Å; L108-C110 VanDerWaalsContact C-N 3.26Å; L108-C110 PolarHBondContact O-N 3.47Å; C110-V112 PolarHBondContact O-N 3.41Å; C110-M113 PolarHBondContact O-N 3.44Å; C110-A114 PolarHBondContact O-N 3.47Å; C110-A114 VanDerWaalsContact O-N 3.13Å
111	L	94.2	Very high	94.3	Very high	62 Å²	62	76.4 Å²	76.4	33%	0.325	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-37.9	173.7	-70.6	-177.8	0	0	0	113.1	T61 G107 L108 M113 A114 F115	T61-L111 HydrophobicContact CG2-CD2 4.04Å; G107-L111 PolarHBondContact O-N 3.41Å; L108-L111 HydrophobicContact CD2-CD1 4.18Å; L108-L111 PolarHBondContact O-N 3.2Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.29Å; L111-A114 WeakPolarHBondContact O-CB 3.32Å; L111-A114 PolarHBondContact O-N 3.36Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 3.27Å
112	V	97.1	Very high	94.2	Very high	70 Å²	70	77.7 Å²	77.7	42%	0.424	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-46.6	175.6	167.4	0	0	0	0	109.5	L108 F109 C110 A114 F115 L116	L108-V112 WeakPolarHBondContact O-CB 3.44Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.06Å; L108-V112 PolarHBondContact O-N 2.96Å; F109-V112 PolarHBondContact O-N 2.86Å; C110-V112 PolarHBondContact O-N 3.41Å; V112-A114 VanDerWaalsContact C-N 3.32Å; V112-A114 PolarHBondContact O-N 3.36Å; V112-F115 PolarHBondContact O-N 3.22Å; V112-L116 HydrophobicContact CG1-CD1 3.62Å; V112-L116 WeakPolarHBondContact O-CD1 3.49Å; V112-L116 PolarHBondContact O-N 3.46Å
113	M	95.5	Very high	94.2	Very high	71 Å²	71	75.3 Å²	75.3	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-40.9	175.5	-67.4	-60.5	126.2	0	0	112.6	F109 C110 L111 L116 I117	F109-M113 HydrophobicContact CD2-CE 4.43Å; F109-M113 HydrophobicContact CE1-CG 4.5Å; F109-M113 HydrophobicContact CE2-CE 3.79Å; F109-M113 HydrophobicContact CZ-CE 4.01Å; F109-M113 WeakPolarHBondContact O-CG 3.41Å; F109-M113 PolarHBondContact O-N 2.93Å; F109-M113 VanDerWaalsContact O-N 3.07Å; C110-M113 PolarHBondContact O-N 3.44Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.29Å; M113-L116 HydrophobicContact CE-CD2 4.24Å; M113-L116 PolarHBondContact O-N 3.01Å; M113-L116 HydrophobicContact SD-CD2 4.42Å; M113-I117 WeakPolarHBondContact O-CG1 3.5Å; M113-I117 PolarHBondContact O-N 2.59Å; M113-I117 VanDerWaalsContact O-N 3.14Å
114	A	96	Very high	94.1	Very high	7 Å²	7	78.2 Å²	78.2	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-62.7	-42.9	175.6	0	0	0	0	0	112.4	A57 A60 T61 C110 L111 V112 I117 L118	A57-A114 WeakPolarHBondContact O-CB 3.01Å; A60-A114 HydrophobicContact CB-CB 4.18Å; T61-A114 HydrophobicContact CG2-CB 3.59Å; C110-A114 PolarHBondContact O-N 3.47Å; C110-A114 VanDerWaalsContact O-N 3.13Å; L111-A114 WeakPolarHBondContact O-CB 3.32Å; L111-A114 PolarHBondContact O-N 3.36Å; V112-A114 VanDerWaalsContact C-N 3.32Å; V112-A114 PolarHBondContact O-N 3.36Å; A114-I117 PolarHBondContact O-N 3.22Å; A114-L118 PolarHBondContact O-N 3.23Å
115	F	94.1	Very high	94.1	Very high	114 Å²	114	78.6 Å²	78.6	50%	0.5	39%	0.394	S	S	.	.	H	α-helix	trans	-67.8	-35	175.7	-69.9	-38.9	0	0	0	113.2	L111 V112 I117 L118 Y119	L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 3.27Å; V112-F115 PolarHBondContact O-N 3.22Å; F115-I117 VanDerWaalsContact C-N 3.28Å; F115-I117 PolarHBondContact O-N 3.39Å; F115-L118 PolarHBondContact O-N 3.45Å; F115-Y119 HydrophobicContact CB-CD2 4.3Å; F115-Y119 HydrophobicContact CD1-CD2 4.26Å; F115-Y119 AromaticContact CD1-CE2 3.88Å; F115-Y119 HydrophobicContact CD1-CE2 3.88Å; F115-Y119 HydrophobicContact CE1-CE2 4.47Å; F115-Y119 PolarHBondContact O-N 3.39Å
116	L	95	Very high	93.9	Very high	64 Å²	64	80.8 Å²	80.8	34%	0.335	40%	0.395	S	S	.	.	H	α-helix	trans	-58.8	-42.8	172.6	-95.4	68	0	0	0	110.7	V112 M113 L118 V120 F121	V112-L116 HydrophobicContact CG1-CD1 3.62Å; V112-L116 WeakPolarHBondContact O-CD1 3.49Å; V112-L116 PolarHBondContact O-N 3.46Å; M113-L116 HydrophobicContact CE-CD2 4.24Å; M113-L116 PolarHBondContact O-N 3.01Å; M113-L116 HydrophobicContact SD-CD2 4.42Å; L116-L118 VanDerWaalsContact C-N 3.35Å; L116-L118 PolarHBondContact O-N 2.74Å; L116-V120 HydrophobicContact CG-CG2 4.14Å; L116-V120 WeakPolarHBondContact O-CA 3.05Å; L116-V120 VanDerWaalsContact O-CB 3.26Å; L116-V120 WeakPolarHBondContact O-CB 2.96Å; L116-V120 PolarHBondContact O-N 3.15Å; L116-F121 WeakPolarHBondContact O-CD2 3.38Å; L116-F121 PolarHBondContact O-N 2.73Å
117	I	94.2	Very high	93.9	Very high	47 Å²	47	77.9 Å²	77.9	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-67.6	-33.9	179.3	-64.3	165.2	0	0	0	112.2	K53 A57 A60 M113 A114 F115	K53-I117 HydrophobicContact CB-CG2 4.13Å; K53-I117 WeakPolarHBondContact CE-O 3.26Å; K53-I117 HydrophobicContact CG-CG2 4.46Å; K53-I117 WeakPolarHBondContact O-CG2 3.27Å; A57-I117 HydrophobicContact CB-CB 4.2Å; A57-I117 HydrophobicContact CB-CG2 4.02Å; A60-I117 HydrophobicContact CB-CD1 4.22Å; M113-I117 WeakPolarHBondContact O-CG1 3.5Å; M113-I117 PolarHBondContact O-N 2.59Å; M113-I117 VanDerWaalsContact O-N 3.14Å; A114-I117 PolarHBondContact O-N 3.22Å; F115-I117 VanDerWaalsContact C-N 3.28Å; F115-I117 PolarHBondContact O-N 3.39Å
118	L	92.3	Very high	93.7	Very high	52 Å²	52	83.2 Å²	83.2	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-82.2	-36	-179.1	-70.9	-167.9	0	0	0	114.5	Y54 A57 A114 F115 L116	Y54-L118 HydrophobicContact CD1-CD2 3.48Å; Y54-L118 VanDerWaalsContact CD1-CD2 3.48Å; Y54-L118 HydrophobicContact CE1-CD2 3.79Å; Y54-L118 HydrophobicContact CG-CD2 4.46Å; A57-L118 HydrophobicContact CB-CD1 4.4Å; A57-L118 HydrophobicContact CB-CD2 3.56Å; A57-L118 HydrophobicContact CB-CG 3.69Å; A114-L118 PolarHBondContact O-N 3.23Å; F115-L118 PolarHBondContact O-N 3.45Å; L116-L118 VanDerWaalsContact C-N 3.35Å; L116-L118 PolarHBondContact O-N 2.74Å
119	Y	92.3	Very high	93.6	Very high	182 Å²	182	82.1 Å²	82.1	71%	0.714	40%	0.397	S	S	*	.	H	α-helix	trans	-117.2	-21	-167.2	-62.3	-61.9	0	0	0	114.9	F115	F115-Y119 HydrophobicContact CB-CD2 4.3Å; F115-Y119 HydrophobicContact CD1-CD2 4.26Å; F115-Y119 AromaticContact CD1-CE2 3.88Å; F115-Y119 HydrophobicContact CD1-CE2 3.88Å; F115-Y119 HydrophobicContact CE1-CE2 4.47Å; F115-Y119 PolarHBondContact O-N 3.39Å
120	V	92.1	Very high	93.4	Very high	99 Å²	99	78.7 Å²	78.7	60%	0.6	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-41.9	179.9	179.5	0	0	0	0	111	L116	L116-V120 HydrophobicContact CG-CG2 4.14Å; L116-V120 WeakPolarHBondContact O-CA 3.05Å; L116-V120 VanDerWaalsContact O-CB 3.26Å; L116-V120 WeakPolarHBondContact O-CB 2.96Å; L116-V120 PolarHBondContact O-N 3.15Å
121	F	82.9	Confident	93.2	Very high	164 Å²	164	84.7 Å²	84.7	72%	0.719	41%	0.413	S	S	*	.			trans	-98	0	170.2	-53.1	-66.3	0	0	0	109.5	K53 L116	K53-F121 VanDerWaalsContact CE-O 3.27Å; K53-F121 WeakPolarHBondContact CE-O 3.42Å; K53-F121 WeakPolarHBondContact CE-OXT 3.37Å; K53-F121 PolarHBondContact NZ-O 3Å; K53-F121 PolarHBondContact NZ-OXT 3.13Å; L116-F121 WeakPolarHBondContact O-CD2 3.38Å; L116-F121 PolarHBondContact O-N 2.73Å

Retrieved 121 of 121 residues in 315.5 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).