A0A087WPL3_MOUSE Loading...

Ral GEF with PH domain and SH3 binding motif 2

AlphaFold DB , UniProt , Accession A0A087WPL3, Species MOUSE (Mus musculus, Mouse), Gene Ralgps2, Length 128 aa.

						>A0A087WPL3_MOUSE|A0A087WPL3|Ralgps2
MDLMNGQASSVTIAATVSEKSSSSESLSEKGSELKKSFDAVVFDVLKVTPEEYAGQITLMDVPVFKAIQPDELSSCGWNKKEKYSSAPNAVAFTRRFNHVSFWVVREILHAQTLKIRAEVLSHYIKTA
					

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	37.7	Very low	34	Very low	227 Å²	227	142.1 Å²	142.1	100%	1.118	83%	0.825	S	S	*	*				0	100.3	0	-58.8	169.5	-172.4	0	0	104.1
2	D	36.2	Very low	33.8	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	82%	0.817	S	S	*	*			cis	-143.7	-177.5	16.2	-73.3	-60.3	0	0	0	114.4
3	L	29.6	Very low	33.7	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	82%	0.817	S	S	*	*			trans	-102.4	171.3	-165.2	-92.5	150.8	0	0	0	114.2
4	M	36.9	Very low	33.6	Very low	160 Å²	160	138 Å²	138	79%	0.788	81%	0.812	S	S	*	*			trans	68.9	153.9	159.9	-78.7	122.7	62.4	0	0	116.7
5	N	33.7	Very low	33.5	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	81%	0.806	S	S	*	*			cis	-150.1	158.6	-4.3	-141.8	15.8	0	0	0	105.6
6	G	32.1	Very low	33.4	Very low	56 Å²	56	135.3 Å²	135.3	58%	0.577	81%	0.811	S	S	*	*			cis	111	87.7	25.4	0	0	0	0	0	110.8
7	Q	34.2	Very low	33.6	Very low	201 Å²	201	135.1 Å²	135.1	94%	0.939	81%	0.811	S	S	*	*			trans	-164.9	115.2	156.3	-116.5	174.7	-7.7	0	0	111.6
8	A	34.9	Very low	33.7	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	81%	0.807	S	S	*	*			trans	-119.7	123.8	167.2	0	0	0	0	0	108	S10	A8-S10 PolarHBondContact O-N 3.34Å
9	S	35.2	Very low	33.7	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	80%	0.799	S	S	*	*			trans	-79.5	112.5	-176.6	-61.5	0	0	0	0	111.1
10	S	30.6	Very low	33.7	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	80%	0.795	S	S	*	*			trans	-81.1	137.8	168.8	-177.6	0	0	0	0	110.3	A8	A8-S10 PolarHBondContact O-N 3.34Å
11	V	33.6	Very low	33.9	Very low	128 Å²	128	134.3 Å²	134.3	78%	0.776	80%	0.795	S	S	*	*			trans	-128.4	112.8	163.2	178.8	0	0	0	0	108.1	I13	V11-I13 HydrophobicContact CG1-CG1 4.48Å
12	T	30.6	Very low	33.8	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.724	78%	0.782	S	S	*	*			trans	-100	130	175.3	-58.6	0	0	0	0	109.1
13	I	33.5	Very low	34	Very low	160 Å²	160	126.8 Å²	126.8	82%	0.821	78%	0.777	S	S	*	*			trans	-133.4	128	160.7	-53.6	-179	0	0	0	107.6	V11	V11-I13 HydrophobicContact CG1-CG1 4.48Å
14	A	31.2	Very low	34.5	Very low	91 Å²	91	124.8 Å²	124.8	75%	0.752	78%	0.775	S	S	*	*			trans	-105	157.4	-172.6	0	0	0	0	0	113.2
15	A	33	Very low	34.4	Very low	87 Å²	87	126 Å²	126	72%	0.719	78%	0.779	S	S	*	*			trans	-47.7	160.9	-171.8	0	0	0	0	0	119.9
16	T	31.9	Very low	34.9	Very low	145 Å²	145	123.3 Å²	123.3	89%	0.89	77%	0.772	S	S	*	*			trans	-132.1	146.4	137.5	52.8	0	0	0	0	110.3
17	V	36.2	Very low	35.2	Very low	132 Å²	132	129.3 Å²	129.3	80%	0.8	79%	0.79	S	S	*	*			trans	-140.8	135.7	-175.1	167.7	0	0	0	0	109.6
18	S	35.5	Very low	35.9	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	78%	0.782	S	S	*	*			trans	-178.4	115.2	154	-149.8	0	0	0	0	107.7
19	E	33.7	Very low	36.1	Very low	140 Å²	140	129.5 Å²	129.5	65%	0.654	79%	0.786	S	S	*	*				58.5	144.2	81.7	-62.3	-158	160.6	0	0	114.8
20	K	34.5	Very low	36.7	Very low	166 Å²	166	133.6 Å²	133.6	72%	0.722	79%	0.788	S	S	*	*			cis	-170.4	168.9	-4.3	-101.7	169.6	-175.5	147.8	0	106.5
21	S	36.5	Very low	37.2	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	79%	0.787	S	S	*	*			cis	-176.7	144.9	-20	-178.6	0	0	0	0	108.4
22	S	36.9	Very low	37.8	Very low	122 Å²	122	131 Å²	131	85%	0.853	79%	0.786	S	S	*	*			trans	-165	149.3	165.1	-159.2	0	0	0	0	115.2
23	S	38.8	Very low	38.7	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	79%	0.786	S	S	*	*			trans	-116.3	154.8	-169.9	-49.3	0	0	0	0	113.1
24	S	41	Very low	39.4	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	79%	0.785	S	S	*	*				169.3	134.1	121.7	59.3	0	0	0	0	113.2
25	E	35.4	Very low	40.3	Very low	187 Å²	187	136.2 Å²	136.2	87%	0.874	79%	0.785	S	S	*	*			trans	24.1	157.4	141.2	-57.6	-171.8	137.9	0	0	122.6
26	S	43.3	Very low	41.3	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	77%	0.772	S	S	*	*			cis	-175.7	138.8	-28.9	63.4	0	0	0	0	106.2
27	L	38.4	Very low	42.4	Very low	183 Å²	183	135.7 Å²	135.7	96%	0.958	77%	0.768	S	S	*	*			trans	-151.2	145.8	158.4	-85.6	-170	0	0	0	110.9
28	S	49.8	Very low	43.2	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	76%	0.757	S	S	*	*			trans	-93.5	132.4	-169.8	55.7	0	0	0	0	113.2
29	E	39.5	Very low	44	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	75%	0.753	S	S	*	*			trans	-123.8	123.1	149.4	-81.7	-165.3	136.7	0	0	110.9	G31	E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 2.85Å; E29-G31 VanDerWaalsContact O-N 3.07Å
30	K	46.6	Very low	44.8	Very low	208 Å²	208	134.5 Å²	134.5	90%	0.904	76%	0.762	S	S	*	*			trans	-90.4	57.7	-168.5	-163.7	177.1	-178.1	179.1	0	110.7	S32	K30-S32 PolarHBondContact O-N 3.48Å
31	G	40.6	Very low	45.8	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	76%	0.761	S	S	*	*			trans	-76.7	93.8	169.4	0	0	0	0	0	110	E29 E33	E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 2.85Å; E29-G31 VanDerWaalsContact O-N 3.07Å; G31-E33 PolarHBondContact O-N 3.16Å
32	S	46	Very low	47	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	76%	0.757	S	S	*	*			trans	-74.2	74.9	172.2	59.9	0	0	0	0	110.2	K30 L34	K30-S32 PolarHBondContact O-N 3.48Å; S32-L34 PolarHBondContact O-N 3.23Å
33	E	49.7	Very low	48.6	Very low	156 Å²	156	131.6 Å²	131.6	73%	0.729	74%	0.739	S	S	*	*			trans	-61.1	92.9	160.9	-77.7	-162.7	155.8	0	0	108.1	G31 K35	G31-E33 PolarHBondContact O-N 3.16Å; E33-K35 PolarHBondContact O-N 3.2Å
34	L	49.7	Very low	50.8	Low	149 Å²	149	129.6 Å²	129.6	78%	0.78	72%	0.72	S	S	*	*			trans	-68.6	86.8	168.6	-155.9	82.9	0	0	0	106.9	S32 K36	S32-L34 PolarHBondContact O-N 3.23Å; L34-K36 PolarHBondContact O-N 3.07Å
35	K	49.2	Very low	53.1	Low	174 Å²	174	124.8 Å²	124.8	76%	0.757	69%	0.686	S	S	*	*			trans	-61.6	86.4	174.1	-73.3	180	177.5	175.3	0	108.4	E33 S37	E33-K35 PolarHBondContact O-N 3.2Å; K35-S37 VanDerWaalsContact C-N 3.32Å; K35-S37 PolarHBondContact O-N 2.84Å
36	K	55.2	Low	55.8	Low	105 Å²	105	118.6 Å²	118.6	46%	0.457	66%	0.658	S	S	.	*			trans	-58.4	95.4	172.7	-70.6	-177.9	179.6	-178.2	0	107	L34 F38 E52	L34-K36 PolarHBondContact O-N 3.07Å; K36-F38 HydrophobicContact CB-CD2 4.41Å; K36-F38 HydrophobicContact CB-CE2 3.79Å; K36-F38 HydrophobicContact CB-CZ 4.04Å; K36-F38 HydrophobicContact CD-CZ 4.13Å; K36-F38 WeakPolarHBondContact O-CD2 3.21Å; K36-F38 PolarHBondContact O-N 2.85Å; K36-F38 VanDerWaalsContact O-N 3.1Å; K36-E52 IonicContact NZ-OE1 3.11Å; K36-E52 PolarHBondContact NZ-OE1 3.4Å; K36-E52 IonicContact NZ-OE2 2.71Å; K36-E52 PolarHBondContact NZ-OE2 3.19Å
37	S	54.3	Low	58.1	Low	116 Å²	116	121.4 Å²	121.4	81%	0.811	66%	0.659	S	S	*	*			trans	-72.5	102.7	172.9	60.1	0	0	0	0	107.9	K35 D39	K35-S37 VanDerWaalsContact C-N 3.32Å; K35-S37 PolarHBondContact O-N 2.84Å; S37-D39 PolarHBondContact O-N 2.82Å
38	F	53.6	Low	60.8	Low	129 Å²	129	113.5 Å²	113.5	57%	0.566	62%	0.618	S	S	*	*			trans	-74.5	108.7	172	-66.1	-84	0	0	0	108.2	K36 A40 F43 V48	K36-F38 HydrophobicContact CB-CD2 4.41Å; K36-F38 HydrophobicContact CB-CE2 3.79Å; K36-F38 HydrophobicContact CB-CZ 4.04Å; K36-F38 HydrophobicContact CD-CZ 4.13Å; K36-F38 WeakPolarHBondContact O-CD2 3.21Å; K36-F38 PolarHBondContact O-N 2.85Å; K36-F38 VanDerWaalsContact O-N 3.1Å; F38-A40 PolarHBondContact O-N 2.73Å; F38-F43 HydrophobicContact CD1-CD2 4.05Å; F38-F43 AromaticContact CD1-CE2 3.78Å; F38-F43 HydrophobicContact CD1-CE2 3.78Å; F38-F43 AromaticContact CE1-CE2 3.84Å; F38-F43 HydrophobicContact CE1-CE2 3.84Å; F38-V48 HydrophobicContact CE1-CG2 4.47Å
39	D	51.8	Low	63	Low	122 Å²	122	111.4 Å²	111.4	65%	0.652	60%	0.601	S	S	*	*			trans	-62.4	132.3	171.2	-179.3	23.4	0	0	0	109.4	S37 V41	S37-D39 PolarHBondContact O-N 2.82Å; D39-V41 PolarHBondContact O-N 3.1Å; D39-V41 VanDerWaalsContact O-N 3.16Å
40	A	49.6	Very low	65.8	Low	103 Å²	103	103.4 Å²	103.4	85%	0.851	57%	0.566	S	S	*	*	S	Bend	trans	-74.8	-3.7	-169.8	0	0	0	0	0	113.5	F38	F38-A40 PolarHBondContact O-N 2.73Å
41	V	56.6	Low	68.2	Low	115 Å²	115	101.3 Å²	101.3	70%	0.697	56%	0.559	S	S	*	*	S	Bend	trans	-91	-40.6	-166.5	-175.4	0	0	0	0	113.5	D39	D39-V41 PolarHBondContact O-N 3.1Å; D39-V41 VanDerWaalsContact O-N 3.16Å
42	V	61.8	Low	70.9	Confident	114 Å²	114	101.5 Å²	101.5	69%	0.691	54%	0.542	S	S	*	.			trans	-148.1	114	170.1	-175.1	0	0	0	0	110.7	D44	V42-D44 PolarHBondContact O-N 3.37Å
43	F	70.7	Confident	73.3	Confident	109 Å²	109	97.1 Å²	97.1	48%	0.478	51%	0.509	S	S	.	.			trans	-80.7	109.1	169.7	-172.7	-101.2	0	0	0	109.9	F38 V48 Y53	F38-F43 HydrophobicContact CD1-CD2 4.05Å; F38-F43 AromaticContact CD1-CE2 3.78Å; F38-F43 HydrophobicContact CD1-CE2 3.78Å; F38-F43 AromaticContact CE1-CE2 3.84Å; F38-F43 HydrophobicContact CE1-CE2 3.84Å; F43-V48 HydrophobicContact CE1-CG2 4.44Å; F43-V48 HydrophobicContact CE2-CG2 4.09Å; F43-V48 HydrophobicContact CZ-CG2 3.59Å; F43-Y53 HydrophobicContact CE1-CE1 4.36Å; F43-Y53 WeakPolarHBondContact CE1-OH 3.21Å
44	D	84.4	Confident	75.6	Confident	64 Å²	64	91.3 Å²	91.3	34%	0.342	49%	0.488	S	S	.	.			trans	-85.1	115.6	177.2	177	-0.2	0	0	0	110	V42 L46 K47	V42-D44 PolarHBondContact O-N 3.37Å; D44-L46 PolarHBondContact O-N 3.4Å; D44-L46 PolarHBondContact OD1-N 2.94Å; D44-K47 HydrophobicContact CB-CD 3.83Å; D44-K47 HydrophobicContact CB-CG 3.94Å; D44-K47 PolarHBondContact O-N 2.65Å; D44-K47 VanDerWaalsContact O-N 3.09Å; D44-K47 WeakPolarHBondContact OD2-CE 3.32Å; D44-K47 IonicContact OD2-NZ 3.88Å
45	V	88.1	Confident	77.9	Confident	9 Å²	9	86 Å²	86	6%	0.055	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-58	-29.2	-178	173.9	0	0	0	0	112.4	K47 Y53 E107 Y124	V45-K47 VanDerWaalsContact C-N 3.27Å; V45-K47 PolarHBondContact O-N 3.28Å; V45-Y53 VanDerWaalsContact CA-OH 3.32Å; V45-Y53 WeakPolarHBondContact CA-OH 3.34Å; V45-Y53 HydrophobicContact CG1-CE2 4.06Å; V45-Y53 WeakPolarHBondContact O-CE2 3.41Å; V45-Y53 PolarHBondContact O-OH 3.37Å; V45-E107 HydrophobicContact CG2-CB 4.26Å; V45-E107 HydrophobicContact CG2-CG 3.84Å; V45-Y124 HydrophobicContact CG1-CE2 4.24Å
46	L	92.3	Very high	80.3	Confident	57 Å²	57	83 Å²	83	30%	0.298	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-80.1	-5.3	-177.9	-60.2	177.6	0	0	0	113.6	D44 I116 E119 V120 H123	D44-L46 PolarHBondContact O-N 3.4Å; D44-L46 PolarHBondContact OD1-N 2.94Å; L46-I116 HydrophobicContact CD1-CG2 4.48Å; L46-E119 HydrophobicContact CD1-CB 4.17Å; L46-V120 HydrophobicContact CD1-CG2 4.31Å; L46-V120 HydrophobicContact CD2-CG2 3.91Å; L46-V120 HydrophobicContact CG-CG2 4.11Å; L46-H123 HydrophobicContact CD2-CB 4Å
47	K	92.6	Very high	82.3	Confident	154 Å²	154	79.9 Å²	79.9	67%	0.67	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-90.9	-13.5	179.8	-68.2	-177.9	-172.5	158.6	0	115	D44 V45	D44-K47 HydrophobicContact CB-CD 3.83Å; D44-K47 HydrophobicContact CB-CG 3.94Å; D44-K47 PolarHBondContact O-N 2.65Å; D44-K47 VanDerWaalsContact O-N 3.09Å; D44-K47 WeakPolarHBondContact OD2-CE 3.32Å; D44-K47 IonicContact OD2-NZ 3.88Å; V45-K47 VanDerWaalsContact C-N 3.27Å; V45-K47 PolarHBondContact O-N 3.28Å
48	V	94.5	Very high	84.4	Confident	17 Å²	17	78 Å²	78	10%	0.103	43%	0.43	C	S	.	.	S	Bend	trans	-95.3	145.2	170.4	176.5	0	0	0	0	107.9	F38 F43 E52 Y53 H123	F38-V48 HydrophobicContact CE1-CG2 4.47Å; F43-V48 HydrophobicContact CE1-CG2 4.44Å; F43-V48 HydrophobicContact CE2-CG2 4.09Å; F43-V48 HydrophobicContact CZ-CG2 3.59Å; V48-E52 HydrophobicContact CG1-CB 3.52Å; V48-Y53 HydrophobicContact CB-CD2 4.3Å; V48-Y53 HydrophobicContact CB-CE1 4.03Å; V48-Y53 HydrophobicContact CB-CE2 3.8Å; V48-Y53 HydrophobicContact CG1-CD1 3.89Å; V48-Y53 HydrophobicContact CG1-CD2 4.01Å; V48-Y53 HydrophobicContact CG1-CE1 3.84Å; V48-Y53 HydrophobicContact CG1-CE2 4Å; V48-Y53 HydrophobicContact CG1-CG 3.96Å; V48-Y53 HydrophobicContact CG2-CE1 4.44Å; V48-H123 PolarHBondContact O-CE1 2.99Å; V48-H123 PolarHBondContact O-NE2 3.37Å
49	T	96.4	Very high	86.5	Confident	65 Å²	65	77.1 Å²	77.1	40%	0.399	43%	0.43	S	S	.	.			trans	-78.8	156.2	177.9	69.9	0	0	0	0	111.8	E51 E52 Y53	T49-E51 PolarHBondContact O-N 3.09Å; T49-E52 PolarHBondContact N-OE2 3.37Å; T49-E52 PolarHBondContact O-N 2.97Å; T49-E52 VanDerWaalsContact O-N 3.15Å; T49-E52 WeakPolarHBondContact OG1-CB 2.88Å; T49-E52 VanDerWaalsContact OG1-CG 3.28Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 2.85Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.03Å; T49-Y53 PolarHBondContact O-N 3.13Å
50	P	97.6	Very high	88.7	Confident	30 Å²	30	76.6 Å²	76.6	20%	0.195	43%	0.425	C	S	.	.	H	α-helix	trans	-58.4	-34.2	175.5	-24.7	34.3	0	0	0	113.1	Y53 A54 K126	P50-Y53 PolarHBondContact O-N 3.34Å; P50-A54 WeakPolarHBondContact O-CB 3.46Å; P50-A54 PolarHBondContact O-N 3.16Å; P50-K126 HydrophobicContact CB-CB 3.83Å; P50-K126 WeakPolarHBondContact CB-O 3.31Å; P50-K126 HydrophobicContact CG-CB 3.76Å; P50-K126 HydrophobicContact CG-CD 4.42Å
51	E	97.8	Very high	91.1	Very high	163 Å²	163	73.5 Å²	73.5	76%	0.762	39%	0.394	S	S	*	.	H	α-helix	trans	-68.6	-43.4	175.6	-174.9	178.6	-175.3	0	0	112.1	T49 Y53 A54 G55	T49-E51 PolarHBondContact O-N 3.09Å; E51-Y53 VanDerWaalsContact C-N 3.29Å; E51-Y53 PolarHBondContact O-N 3.22Å; E51-A54 PolarHBondContact O-N 3.17Å; E51-G55 PolarHBondContact O-N 3.27Å
52	E	96.9	Very high	93.1	Very high	72 Å²	72	70.6 Å²	70.6	34%	0.336	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-41.1	172.6	-76.5	173.8	134.6	0	0	110.7	K36 V48 T49 Q56	K36-E52 IonicContact NZ-OE1 3.11Å; K36-E52 PolarHBondContact NZ-OE1 3.4Å; K36-E52 IonicContact NZ-OE2 2.71Å; K36-E52 PolarHBondContact NZ-OE2 3.19Å; V48-E52 HydrophobicContact CG1-CB 3.52Å; T49-E52 PolarHBondContact N-OE2 3.37Å; T49-E52 PolarHBondContact O-N 2.97Å; T49-E52 VanDerWaalsContact O-N 3.15Å; T49-E52 WeakPolarHBondContact OG1-CB 2.88Å; T49-E52 VanDerWaalsContact OG1-CG 3.28Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 2.85Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.03Å; E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.33Å; E52-Q56 PolarHBondContact O-N 3.16Å
53	Y	96.8	Very high	94.8	Very high	16 Å²	16	68.8 Å²	68.8	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-50.1	174.6	-81.1	-47	0	0	0	113.3	F43 V45 V48 T49 P50 E51 G55 Q56 I57 W103 H123	F43-Y53 HydrophobicContact CE1-CE1 4.36Å; F43-Y53 WeakPolarHBondContact CE1-OH 3.21Å; V45-Y53 VanDerWaalsContact CA-OH 3.32Å; V45-Y53 WeakPolarHBondContact CA-OH 3.34Å; V45-Y53 HydrophobicContact CG1-CE2 4.06Å; V45-Y53 WeakPolarHBondContact O-CE2 3.41Å; V45-Y53 PolarHBondContact O-OH 3.37Å; V48-Y53 HydrophobicContact CB-CD2 4.3Å; V48-Y53 HydrophobicContact CB-CE1 4.03Å; V48-Y53 HydrophobicContact CB-CE2 3.8Å; V48-Y53 HydrophobicContact CG1-CD1 3.89Å; V48-Y53 HydrophobicContact CG1-CD2 4.01Å; V48-Y53 HydrophobicContact CG1-CE1 3.84Å; V48-Y53 HydrophobicContact CG1-CE2 4Å; V48-Y53 HydrophobicContact CG1-CG 3.96Å; V48-Y53 HydrophobicContact CG2-CE1 4.44Å; T49-Y53 PolarHBondContact O-N 3.13Å; P50-Y53 PolarHBondContact O-N 3.34Å; E51-Y53 VanDerWaalsContact C-N 3.29Å; E51-Y53 PolarHBondContact O-N 3.22Å; Y53-G55 PolarHBondContact O-N 2.93Å; Y53-Q56 PolarHBondContact O-N 3.09Å; Y53-I57 WeakPolarHBondContact O-CB 3.28Å; Y53-I57 VanDerWaalsContact O-CG1 3.25Å; Y53-I57 WeakPolarHBondContact O-CG1 3.32Å; Y53-I57 PolarHBondContact O-N 3.15Å; Y53-W103 AromaticContact CD1-CH2 3.7Å; Y53-W103 HydrophobicContact CD1-CH2 3.7Å; Y53-W103 HydrophobicContact CD1-CZ2 4.48Å; Y53-W103 AromaticContact CE1-CH2 3.58Å; Y53-W103 HydrophobicContact CE1-CH2 3.58Å; Y53-W103 AromaticContact CE1-CZ2 3.91Å; Y53-W103 HydrophobicContact CE1-CZ2 3.91Å; Y53-W103 HydrophobicContact CG-CH2 4.28Å; Y53-H123 AromaticContact CD2-CD2 3.9Å; Y53-H123 AromaticContact CD2-NE2 3.47Å; Y53-H123 WeakPolarHBondContact CD2-NE2 3.36Å; Y53-H123 AromaticContact CE2-CD2 3.99Å; Y53-H123 AromaticContact CE2-NE2 3.59Å
54	A	98.3	Very high	96.1	Very high	34 Å²	34	65.1 Å²	65.1	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-42	178.3	0	0	0	0	0	111	P50 E51 T58 T127	P50-A54 WeakPolarHBondContact O-CB 3.46Å; P50-A54 PolarHBondContact O-N 3.16Å; E51-A54 PolarHBondContact O-N 3.17Å; A54-T58 VanDerWaalsContact O-CB 3.24Å; A54-T58 WeakPolarHBondContact O-CB 3.42Å; A54-T58 PolarHBondContact O-N 3.35Å; A54-T58 PolarHBondContact O-OG1 3.13Å; A54-T127 HydrophobicContact CB-CG2 4.25Å
55	G	98.3	Very high	96.8	Very high	38 Å²	38	68 Å²	68	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-47.7	174.7	0	0	0	0	0	113.4	E51 Y53 T58 L59	E51-G55 PolarHBondContact O-N 3.27Å; Y53-G55 PolarHBondContact O-N 2.93Å; G55-T58 PolarHBondContact O-N 3.48Å; G55-L59 VanDerWaalsContact O-CB 3.28Å; G55-L59 WeakPolarHBondContact O-CB 3.3Å; G55-L59 PolarHBondContact O-N 3.32Å
56	Q	98	Very high	97.3	Very high	112 Å²	112	75.3 Å²	75.3	52%	0.523	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-39.6	179.8	-67.7	-56.6	-43.3	0	0	113	E52 Y53 T58 L59 M60	E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.33Å; E52-Q56 PolarHBondContact O-N 3.16Å; Y53-Q56 PolarHBondContact O-N 3.09Å; Q56-T58 VanDerWaalsContact C-N 3.35Å; Q56-L59 PolarHBondContact O-N 2.97Å; Q56-M60 WeakPolarHBondContact O-CG 3.08Å; Q56-M60 PolarHBondContact O-N 3.41Å; Q56-M60 VanDerWaalsContact O-N 3.07Å
57	I	98.1	Very high	97.6	Very high	38 Å²	38	74.1 Å²	74.1	20%	0.195	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-50.7	173.4	-67.3	164.2	0	0	0	109.3	Y53 L59 M60 D61 V100 W103 T127	Y53-I57 WeakPolarHBondContact O-CB 3.28Å; Y53-I57 VanDerWaalsContact O-CG1 3.25Å; Y53-I57 WeakPolarHBondContact O-CG1 3.32Å; Y53-I57 PolarHBondContact O-N 3.15Å; I57-L59 PolarHBondContact O-N 2.99Å; I57-M60 PolarHBondContact O-N 3.47Å; I57-D61 WeakPolarHBondContact CG2-OD2 3.31Å; I57-D61 WeakPolarHBondContact O-CB 3.48Å; I57-D61 VanDerWaalsContact O-CG 3.3Å; I57-D61 PolarHBondContact O-N 2.84Å; I57-V100 HydrophobicContact CD1-CG1 4.38Å; I57-V100 HydrophobicContact CG2-CG2 4.41Å; I57-W103 HydrophobicContact CD1-CZ3 4.25Å; I57-T127 HydrophobicContact CD1-CG2 4.27Å
58	T	98.6	Very high	97.9	Very high	77 Å²	77	68.4 Å²	68.4	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-47	177.3	-58.9	0	0	0	0	111.9	A54 G55 Q56 M60 D61 V62	A54-T58 VanDerWaalsContact O-CB 3.24Å; A54-T58 WeakPolarHBondContact O-CB 3.42Å; A54-T58 PolarHBondContact O-N 3.35Å; A54-T58 PolarHBondContact O-OG1 3.13Å; G55-T58 PolarHBondContact O-N 3.48Å; Q56-T58 VanDerWaalsContact C-N 3.35Å; T58-M60 VanDerWaalsContact C-N 3.26Å; T58-M60 PolarHBondContact O-N 3.35Å; T58-D61 PolarHBondContact O-N 3.28Å; T58-D61 VanDerWaalsContact O-N 3.13Å; T58-V62 HydrophobicContact CG2-CG2 3.95Å; T58-V62 WeakPolarHBondContact O-CB 3.43Å; T58-V62 VanDerWaalsContact O-CG2 3.24Å; T58-V62 WeakPolarHBondContact O-CG2 3.32Å; T58-V62 PolarHBondContact O-N 3.07Å
59	L	98.4	Very high	98.1	Very high	111 Å²	111	72.6 Å²	72.6	58%	0.581	39%	0.388	S	S	*	.	H	α-helix	trans	-59.2	-37.6	-179.9	-178.4	62.4	0	0	0	112.2	G55 Q56 I57 P63	G55-L59 VanDerWaalsContact O-CB 3.28Å; G55-L59 WeakPolarHBondContact O-CB 3.3Å; G55-L59 PolarHBondContact O-N 3.32Å; Q56-L59 PolarHBondContact O-N 2.97Å; I57-L59 PolarHBondContact O-N 2.99Å; L59-P63 WeakPolarHBondContact O-CD 3.47Å
60	M	98.1	Very high	98.1	Very high	111 Å²	111	74 Å²	74	55%	0.547	40%	0.398	S	S	.	.	H	α-helix	trans	-80.2	-27.3	176.3	-63.6	-178.4	86.4	0	0	113.6	Q56 I57 T58 R96	Q56-M60 WeakPolarHBondContact O-CG 3.08Å; Q56-M60 PolarHBondContact O-N 3.41Å; Q56-M60 VanDerWaalsContact O-N 3.07Å; I57-M60 PolarHBondContact O-N 3.47Å; T58-M60 VanDerWaalsContact C-N 3.26Å; T58-M60 PolarHBondContact O-N 3.35Å; M60-R96 VanDerWaalsContact CB-CZ 3.46Å; M60-R96 VanDerWaalsContact CB-NH2 3.27Å; M60-R96 PolarHBondContact O-NE 3.21Å
61	D	98.6	Very high	98.1	Very high	37 Å²	37	78.4 Å²	78.4	20%	0.198	42%	0.42	C	S	.	.	H	α-helix	trans	-77.3	-44	178.6	-79.3	-17.8	0	0	0	112.9	I57 T58 V64 F65 F93 R96	I57-D61 WeakPolarHBondContact CG2-OD2 3.31Å; I57-D61 WeakPolarHBondContact O-CB 3.48Å; I57-D61 VanDerWaalsContact O-CG 3.3Å; I57-D61 PolarHBondContact O-N 2.84Å; T58-D61 PolarHBondContact O-N 3.28Å; T58-D61 VanDerWaalsContact O-N 3.13Å; D61-V64 PolarHBondContact O-N 3.36Å; D61-V64 VanDerWaalsContact O-N 3.1Å; D61-F65 PolarHBondContact O-N 3.41Å; D61-F93 HydrophobicContact CB-CE2 3.98Å; D61-R96 IonicContact OD1-CZ 2.65Å; D61-R96 IonicContact OD1-NE 3.93Å; D61-R96 PolarHBondContact OD1-NE 3.25Å; D61-R96 IonicContact OD1-NH2 3.4Å; D61-R96 PolarHBondContact OD1-NH2 2.91Å
62	V	98.6	Very high	98.1	Very high	55 Å²	55	71 Å²	71	33%	0.333	39%	0.386	S	S	.	.	H	α-helix	trans	-48.9	-48.4	-177.2	163.9	0	0	0	0	114.7	T58 V64 F65 K66	T58-V62 HydrophobicContact CG2-CG2 3.95Å; T58-V62 WeakPolarHBondContact O-CB 3.43Å; T58-V62 VanDerWaalsContact O-CG2 3.24Å; T58-V62 WeakPolarHBondContact O-CG2 3.32Å; T58-V62 PolarHBondContact O-N 3.07Å; V62-V64 VanDerWaalsContact C-N 3.34Å; V62-V64 PolarHBondContact O-N 2.95Å; V62-F65 PolarHBondContact O-N 2.96Å; V62-K66 HydrophobicContact CG1-CD 3.94Å; V62-K66 HydrophobicContact CG1-CG 4.45Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 WeakPolarHBondContact O-CG 3.3Å; V62-K66 PolarHBondContact O-N 3.49Å
63	P	98.4	Very high	98.1	Very high	76 Å²	76	72 Å²	72	49%	0.494	39%	0.393	S	S	.	.	H	α-helix	trans	-66	-35.3	-179.5	24.5	-33.9	0	0	0	112.7	L59 A67	L59-P63 WeakPolarHBondContact O-CD 3.47Å; P63-A67 WeakPolarHBondContact O-CB 3.35Å; P63-A67 PolarHBondContact O-N 2.9Å
64	V	98.3	Very high	98	Very high	32 Å²	32	75.7 Å²	75.7	19%	0.194	42%	0.421	C	S	.	.	H	α-helix	trans	-73.8	-39.8	178.4	-175	0	0	0	0	110.7	D61 V62 A67 A92 F93	D61-V64 PolarHBondContact O-N 3.36Å; D61-V64 VanDerWaalsContact O-N 3.1Å; V62-V64 VanDerWaalsContact C-N 3.34Å; V62-V64 PolarHBondContact O-N 2.95Å; V64-A67 PolarHBondContact O-N 3.4Å; V64-A92 HydrophobicContact CG1-CB 3.81Å; V64-F93 HydrophobicContact CB-CD2 4.14Å; V64-F93 HydrophobicContact CG1-CB 3.99Å; V64-F93 HydrophobicContact CG1-CD2 4.04Å
65	F	98.6	Very high	97.7	Very high	125 Å²	125	76.2 Å²	76.2	55%	0.548	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-47.7	172.8	177.6	-106.8	0	0	0	112	D61 V62 A67 I68 F93	D61-F65 PolarHBondContact O-N 3.41Å; V62-F65 PolarHBondContact O-N 2.96Å; F65-A67 PolarHBondContact O-N 2.76Å; F65-I68 HydrophobicContact CD2-CD1 4.33Å; F65-I68 WeakPolarHBondContact O-CG1 3.45Å; F65-I68 PolarHBondContact O-N 3.02Å; F65-F93 HydrophobicContact CB-CD2 4.29Å; F65-F93 HydrophobicContact CB-CE2 3.78Å; F65-F93 HydrophobicContact CB-CZ 3.99Å; F65-F93 HydrophobicContact CD2-CE1 4.02Å; F65-F93 HydrophobicContact CD2-CZ 4.04Å; F65-F93 HydrophobicContact CG-CZ 4.39Å
66	K	98.6	Very high	97.4	Very high	161 Å²	161	77.7 Å²	77.7	70%	0.7	43%	0.426	S	S	*	.	H	α-helix	trans	-66.4	-19	178.3	-75.1	-179.4	175.2	-179.5	0	114.1	V62	V62-K66 HydrophobicContact CG1-CD 3.94Å; V62-K66 HydrophobicContact CG1-CG 4.45Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 WeakPolarHBondContact O-CG 3.3Å; V62-K66 PolarHBondContact O-N 3.49Å
67	A	98.5	Very high	97.2	Very high	33 Å²	33	72.4 Å²	72.4	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-80.1	-17.8	177.9	0	0	0	0	0	113.4	P63 V64 F65 Q69 N89	P63-A67 WeakPolarHBondContact O-CB 3.35Å; P63-A67 PolarHBondContact O-N 2.9Å; V64-A67 PolarHBondContact O-N 3.4Å; F65-A67 PolarHBondContact O-N 2.76Å; A67-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-NE2 2.86Å; A67-N89 HydrophobicContact CB-CB 4.23Å; A67-N89 WeakPolarHBondContact CB-OD1 3.49Å; A67-N89 PolarHBondContact O-ND2 3.18Å; A67-N89 VanDerWaalsContact O-ND2 3.09Å
68	I	98.5	Very high	97.1	Very high	34 Å²	34	75.4 Å²	75.4	17%	0.174	41%	0.411	C	S	.	.			trans	-62.7	119.5	-177.7	-59.5	172.2	0	0	0	110.6	F65 L73 N89 F93	F65-I68 HydrophobicContact CD2-CD1 4.33Å; F65-I68 WeakPolarHBondContact O-CG1 3.45Å; F65-I68 PolarHBondContact O-N 3.02Å; I68-L73 HydrophobicContact CG2-CD1 4.01Å; I68-L73 HydrophobicContact CG2-CD2 3.94Å; I68-L73 HydrophobicContact CG2-CG 3.85Å; I68-N89 HydrophobicContact CB-CB 4.4Å; I68-N89 HydrophobicContact CG1-CB 3.86Å; I68-F93 HydrophobicContact CD1-CB 4.17Å; I68-F93 HydrophobicContact CD1-CD1 4.26Å; I68-F93 HydrophobicContact CD1-CG 4.28Å
69	Q	97.8	Very high	96.9	Very high	105 Å²	105	78.7 Å²	78.7	49%	0.491	43%	0.425	S	S	.	.			trans	-87.5	149.8	177.2	-57.6	-54.5	-58.2	0	0	111.8	A67 D71 E72	A67-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-NE2 2.86Å; Q69-D71 PolarHBondContact O-N 2.88Å; Q69-E72 HydrophobicContact CB-CG 4.2Å; Q69-E72 PolarHBondContact N-OE1 3.47Å; Q69-E72 WeakPolarHBondContact O-CB 3.28Å; Q69-E72 PolarHBondContact O-N 3.24Å; Q69-E72 VanDerWaalsContact O-N 3.1Å
70	P	97.6	Very high	96.8	Very high	94 Å²	94	78.9 Å²	78.9	61%	0.61	42%	0.421	S	S	*	.	H	α-helix	trans	-54.9	-35	178.3	-27.7	35.9	0	0	0	114.1	E72 L73 S74	P70-E72 VanDerWaalsContact C-N 3.32Å; P70-E72 PolarHBondContact O-N 3.07Å; P70-L73 WeakPolarHBondContact O-CB 3.3Å; P70-L73 PolarHBondContact O-N 3.3Å; P70-L73 VanDerWaalsContact O-N 3.07Å; P70-S74 PolarHBondContact O-N 3.34Å
71	D	96.6	Very high	96.7	Very high	122 Å²	122	82.3 Å²	82.3	65%	0.652	43%	0.433	S	S	*	.	H	α-helix	trans	-70.3	-26	-178.8	-66.9	-24.3	0	0	0	113.6	Q69 L73 S74 S75	Q69-D71 PolarHBondContact O-N 2.88Å; D71-L73 PolarHBondContact O-N 3.23Å; D71-S74 WeakPolarHBondContact CA-OG 3.1Å; D71-S75 WeakPolarHBondContact O-CB 3.27Å; D71-S75 PolarHBondContact O-N 3.37Å; D71-S75 VanDerWaalsContact O-N 3.15Å; D71-S75 PolarHBondContact O-OG 3.41Å
72	E	97.9	Very high	96.6	Very high	9 Å²	9	85.8 Å²	85.8	4%	0.042	45%	0.448	C	S	.	.	H	α-helix	trans	-64.9	-33.9	171.1	-56.7	-176	-121.7	0	0	110.8	Q69 P70 S75 W78 A87 P88 N89 A90	Q69-E72 HydrophobicContact CB-CG 4.2Å; Q69-E72 PolarHBondContact N-OE1 3.47Å; Q69-E72 WeakPolarHBondContact O-CB 3.28Å; Q69-E72 PolarHBondContact O-N 3.24Å; Q69-E72 VanDerWaalsContact O-N 3.1Å; P70-E72 VanDerWaalsContact C-N 3.32Å; P70-E72 PolarHBondContact O-N 3.07Å; E72-S75 PolarHBondContact O-OG 2.88Å; E72-W78 VanDerWaalsContact O-CE3 3.27Å; E72-W78 VanDerWaalsContact O-CZ3 3.31Å; E72-W78 WeakPolarHBondContact O-CZ3 3.15Å; E72-A87 HydrophobicContact CB-CB 3.98Å; E72-A87 HydrophobicContact CG-CB 4.49Å; E72-A87 WeakPolarHBondContact OE2-CA 3.33Å; E72-P88 WeakPolarHBondContact OE2-CD 3.45Å; E72-P88 VanDerWaalsContact OE2-N 3.16Å; E72-N89 WeakPolarHBondContact OE1-CB 3.31Å; E72-N89 PolarHBondContact OE1-ND2 3.26Å; E72-N89 WeakPolarHBondContact OE2-CA 3.4Å; E72-N89 WeakPolarHBondContact OE2-CB 3.31Å; E72-N89 PolarHBondContact OE2-N 2.92Å; E72-A90 PolarHBondContact OE2-N 3Å
73	L	96.9	Very high	96.5	Very high	93 Å²	93	86.5 Å²	86.5	49%	0.487	45%	0.447	S	S	.	.	H	α-helix	trans	-85.1	-42.3	-178.5	-59.5	-175.8	0	0	0	112.4	I68 P70 D71 C76 W78	I68-L73 HydrophobicContact CG2-CD1 4.01Å; I68-L73 HydrophobicContact CG2-CD2 3.94Å; I68-L73 HydrophobicContact CG2-CG 3.85Å; P70-L73 WeakPolarHBondContact O-CB 3.3Å; P70-L73 PolarHBondContact O-N 3.3Å; P70-L73 VanDerWaalsContact O-N 3.07Å; D71-L73 PolarHBondContact O-N 3.23Å; L73-C76 PolarHBondContact O-N 3.36Å; L73-W78 HydrophobicContact CD2-CZ3 4.3Å; L73-W78 WeakPolarHBondContact O-CZ3 3.25Å
74	S	96.2	Very high	96.5	Very high	92 Å²	92	89.4 Å²	89.4	64%	0.643	45%	0.449	S	S	*	.	H	α-helix	trans	-70.2	-31.7	-180	71.6	0	0	0	0	112.8	P70 D71 C76	P70-S74 PolarHBondContact O-N 3.34Å; D71-S74 WeakPolarHBondContact CA-OG 3.1Å; S74-C76 VanDerWaalsContact C-N 3.3Å; S74-C76 PolarHBondContact O-N 3.21Å
75	S	91.3	Very high	96.4	Very high	45 Å²	45	92.8 Å²	92.8	32%	0.315	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11	-179.4	66.7	0	0	0	0	114.6	D71 E72 G77 K80	D71-S75 WeakPolarHBondContact O-CB 3.27Å; D71-S75 PolarHBondContact O-N 3.37Å; D71-S75 VanDerWaalsContact O-N 3.15Å; D71-S75 PolarHBondContact O-OG 3.41Å; E72-S75 PolarHBondContact O-OG 2.88Å; S75-G77 PolarHBondContact O-N 2.71Å; S75-G77 PolarHBondContact OG-N 2.98Å; S75-K80 PolarHBondContact O-NZ 3.44Å
76	C	92	Very high	96.3	Very high	70 Å²	70	88.9 Å²	88.9	47%	0.473	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	34.5	-168.1	-66.4	0	0	0	0	113.2	L73 S74 W78 K80	L73-C76 PolarHBondContact O-N 3.36Å; S74-C76 VanDerWaalsContact C-N 3.3Å; S74-C76 PolarHBondContact O-N 3.21Å; C76-W78 VanDerWaalsContact CA-CZ3 3.4Å; C76-W78 HydrophobicContact CB-CH2 4.28Å; C76-W78 HydrophobicContact CB-CZ3 4.37Å; C76-W78 PolarHBondContact O-N 2.92Å; C76-K80 WeakPolarHBondContact O-CE 3.48Å
77	G	94.6	Very high	96.3	Very high	1 Å²	1	81.2 Å²	81.2	1%	0.01	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-68.3	-32.1	-170.6	0	0	0	0	0	115	S75 N79 K80 K83	S75-G77 PolarHBondContact O-N 2.71Å; S75-G77 PolarHBondContact OG-N 2.98Å; G77-N79 PolarHBondContact O-N 3.13Å; G77-N79 VanDerWaalsContact O-N 3.08Å; G77-K80 WeakPolarHBondContact O-CB 3.47Å; G77-K80 PolarHBondContact O-N 3.12Å; G77-K83 WeakPolarHBondContact O-CA 3.4Å; G77-K83 VanDerWaalsContact O-CB 3.31Å; G77-K83 WeakPolarHBondContact O-CB 3.47Å
78	W	95.9	Very high	96.2	Very high	101 Å²	101	82.4 Å²	82.4	38%	0.383	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.3	-170.8	63.5	92.3	0	0	0	114.7	E72 L73 C76 K83 A87 A90 V91	E72-W78 VanDerWaalsContact O-CE3 3.27Å; E72-W78 VanDerWaalsContact O-CZ3 3.31Å; E72-W78 WeakPolarHBondContact O-CZ3 3.15Å; L73-W78 HydrophobicContact CD2-CZ3 4.3Å; L73-W78 WeakPolarHBondContact O-CZ3 3.25Å; C76-W78 VanDerWaalsContact CA-CZ3 3.4Å; C76-W78 HydrophobicContact CB-CH2 4.28Å; C76-W78 HydrophobicContact CB-CZ3 4.37Å; C76-W78 PolarHBondContact O-N 2.92Å; W78-K83 WeakPolarHBondContact O-CB 3.33Å; W78-K83 WeakPolarHBondContact O-CD 3.43Å; W78-A87 HydrophobicContact CB-CB 3.97Å; W78-A90 HydrophobicContact CB-CB 4.32Å; W78-V91 HydrophobicContact CB-CG2 4.09Å
79	N	93.3	Very high	96.2	Very high	146 Å²	146	82.9 Å²	82.9	78%	0.781	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-98.8	7.2	178.4	-160.8	29.9	0	0	0	113.7	G77	G77-N79 PolarHBondContact O-N 3.13Å; G77-N79 VanDerWaalsContact O-N 3.08Å
80	K	95.6	Very high	96.2	Very high	115 Å²	115	78.4 Å²	78.4	50%	0.5	42%	0.417	S	S	.	.	S	Bend	trans	-99.4	170.2	-178.6	-60.7	177.6	-175.4	168.1	0	111.2	S75 C76 G77 K83	S75-K80 PolarHBondContact O-NZ 3.44Å; C76-K80 WeakPolarHBondContact O-CE 3.48Å; G77-K80 WeakPolarHBondContact O-CB 3.47Å; G77-K80 PolarHBondContact O-N 3.12Å; K80-K83 VanDerWaalsContact O-CB 3.27Å; K80-K83 WeakPolarHBondContact O-CB 3.39Å; K80-K83 WeakPolarHBondContact O-CG 3.44Å; K80-K83 PolarHBondContact O-N 2.71Å
81	K	97.1	Very high	96.3	Very high	183 Å²	183	74.4 Å²	74.4	80%	0.796	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-47.2	176	-172.7	-175.7	167.5	-156.6	0	111.6	K83	K81-K83 PolarHBondContact O-N 3.38Å; K81-K83 VanDerWaalsContact O-N 3.12Å
82	E	96.3	Very high	96.4	Very high	109 Å²	109	70.2 Å²	70.2	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	28.9	-177.8	-45.3	-48	142.7	0	0	113.2	Y84 S85 S86	E82-Y84 VanDerWaalsContact C-N 3.25Å; E82-Y84 PolarHBondContact O-N 3.21Å; E82-S85 PolarHBondContact O-N 3.42Å; E82-S85 VanDerWaalsContact O-N 3.1Å; E82-S86 PolarHBondContact O-N 3.04Å; E82-S86 PolarHBondContact O-OG 3.21Å
83	K	97.6	Very high	96.4	Very high	70 Å²	70	73 Å²	73	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-30.4	-175.5	61.4	-176.5	177.2	-174.9	0	114.5	G77 W78 K80 K81 S85 S86 A87 V91	G77-K83 WeakPolarHBondContact O-CA 3.4Å; G77-K83 VanDerWaalsContact O-CB 3.31Å; G77-K83 WeakPolarHBondContact O-CB 3.47Å; W78-K83 WeakPolarHBondContact O-CB 3.33Å; W78-K83 WeakPolarHBondContact O-CD 3.43Å; K80-K83 VanDerWaalsContact O-CB 3.27Å; K80-K83 WeakPolarHBondContact O-CB 3.39Å; K80-K83 WeakPolarHBondContact O-CG 3.44Å; K80-K83 PolarHBondContact O-N 2.71Å; K81-K83 PolarHBondContact O-N 3.38Å; K81-K83 VanDerWaalsContact O-N 3.12Å; K83-S85 VanDerWaalsContact C-N 3.25Å; K83-S85 PolarHBondContact O-N 3.05Å; K83-S86 WeakPolarHBondContact CA-OG 3.44Å; K83-A87 CarbonylContact O-C 3.27Å; K83-A87 VanDerWaalsContact O-C 3.27Å; K83-A87 WeakPolarHBondContact O-CA 3.32Å; K83-A87 PolarHBondContact O-N 3.34Å; K83-V91 HydrophobicContact CB-CG2 3.76Å; K83-V91 HydrophobicContact CD-CG2 4.03Å; K83-V91 HydrophobicContact CG-CG2 3.94Å
84	Y	96.9	Very high	96.5	Very high	138 Å²	138	71.9 Å²	71.9	54%	0.541	38%	0.383	S	S	.	.	H	α-helix	trans	-70.1	-22.9	178.4	-61.8	-72.3	0	0	0	113.1	E82 V91	E82-Y84 VanDerWaalsContact C-N 3.25Å; E82-Y84 PolarHBondContact O-N 3.21Å; Y84-V91 HydrophobicContact CD1-CG1 3.85Å; Y84-V91 HydrophobicContact CE1-CG1 3.59Å
85	S	96.4	Very high	96.6	Very high	102 Å²	102	75.4 Å²	75.4	71%	0.713	38%	0.382	S	S	*	.	H	α-helix	trans	-97.4	-34.3	176.8	-47.9	0	0	0	0	112.1	E82 K83	E82-S85 PolarHBondContact O-N 3.42Å; E82-S85 VanDerWaalsContact O-N 3.1Å; K83-S85 VanDerWaalsContact C-N 3.25Å; K83-S85 PolarHBondContact O-N 3.05Å
86	S	96.5	Very high	96.9	Very high	44 Å²	44	75.6 Å²	75.6	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-93.8	-22.5	-174.2	52.5	0	0	0	0	115.1	E82 K83	E82-S86 PolarHBondContact O-N 3.04Å; E82-S86 PolarHBondContact O-OG 3.21Å; K83-S86 WeakPolarHBondContact CA-OG 3.44Å
87	A	98.1	Very high	97.2	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-147.3	53.4	179.8	0	0	0	0	0	112	E72 W78 K83 N89 A90 V91	E72-A87 HydrophobicContact CB-CB 3.98Å; E72-A87 HydrophobicContact CG-CB 4.49Å; E72-A87 WeakPolarHBondContact OE2-CA 3.33Å; W78-A87 HydrophobicContact CB-CB 3.97Å; K83-A87 CarbonylContact O-C 3.27Å; K83-A87 VanDerWaalsContact O-C 3.27Å; K83-A87 WeakPolarHBondContact O-CA 3.32Å; K83-A87 PolarHBondContact O-N 3.34Å; A87-N89 PolarHBondContact O-N 3.25Å; A87-A90 HydrophobicContact CB-CB 4.22Å; A87-A90 PolarHBondContact O-N 2.91Å; A87-V91 WeakPolarHBondContact O-CB 3.36Å; A87-V91 WeakPolarHBondContact O-CG2 3.28Å; A87-V91 PolarHBondContact O-N 3.46Å
88	P	97.9	Very high	97.4	Very high	58 Å²	58	83 Å²	83	38%	0.377	40%	0.404	S	S	.	.	H	α-helix	trans	-57.6	-42.6	-171.1	23	-34	0	0	0	113.9	E72 A92	E72-P88 WeakPolarHBondContact OE2-CD 3.45Å; E72-P88 VanDerWaalsContact OE2-N 3.16Å; P88-A92 WeakPolarHBondContact O-CB 3.46Å; P88-A92 PolarHBondContact O-N 3.09Å
89	N	98.4	Very high	97.5	Very high	44 Å²	44	84.7 Å²	84.7	24%	0.235	42%	0.416	C	S	.	.	H	α-helix	trans	-79.9	-38.3	-176.2	-58.1	-64	0	0	0	111.1	A67 I68 E72 A87 V91 A92 F93	A67-N89 HydrophobicContact CB-CB 4.23Å; A67-N89 WeakPolarHBondContact CB-OD1 3.49Å; A67-N89 PolarHBondContact O-ND2 3.18Å; A67-N89 VanDerWaalsContact O-ND2 3.09Å; I68-N89 HydrophobicContact CB-CB 4.4Å; I68-N89 HydrophobicContact CG1-CB 3.86Å; E72-N89 WeakPolarHBondContact OE1-CB 3.31Å; E72-N89 PolarHBondContact OE1-ND2 3.26Å; E72-N89 WeakPolarHBondContact OE2-CA 3.4Å; E72-N89 WeakPolarHBondContact OE2-CB 3.31Å; E72-N89 PolarHBondContact OE2-N 2.92Å; A87-N89 PolarHBondContact O-N 3.25Å; N89-V91 VanDerWaalsContact C-N 3.3Å; N89-V91 PolarHBondContact O-N 3.45Å; N89-A92 PolarHBondContact O-N 2.98Å; N89-F93 WeakPolarHBondContact O-CB 3.24Å; N89-F93 PolarHBondContact O-N 3.15Å
90	A	98.2	Very high	97.7	Very high	10 Å²	10	79.3 Å²	79.3	8%	0.083	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-38.5	173	0	0	0	0	0	111.7	E72 W78 A87 T94	E72-A90 PolarHBondContact OE2-N 3Å; W78-A90 HydrophobicContact CB-CB 4.32Å; A87-A90 HydrophobicContact CB-CB 4.22Å; A87-A90 PolarHBondContact O-N 2.91Å; A90-T94 WeakPolarHBondContact O-CB 3.24Å; A90-T94 PolarHBondContact O-N 3.46Å; A90-T94 PolarHBondContact O-OG1 2.93Å
91	V	98.4	Very high	97.9	Very high	10 Å²	10	76.1 Å²	76.1	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-68.7	-39.6	172.1	172.7	0	0	0	0	111.6	W78 K83 Y84 A87 N89 T94 R95	W78-V91 HydrophobicContact CB-CG2 4.09Å; K83-V91 HydrophobicContact CB-CG2 3.76Å; K83-V91 HydrophobicContact CD-CG2 4.03Å; K83-V91 HydrophobicContact CG-CG2 3.94Å; Y84-V91 HydrophobicContact CD1-CG1 3.85Å; Y84-V91 HydrophobicContact CE1-CG1 3.59Å; A87-V91 WeakPolarHBondContact O-CB 3.36Å; A87-V91 WeakPolarHBondContact O-CG2 3.28Å; A87-V91 PolarHBondContact O-N 3.46Å; N89-V91 VanDerWaalsContact C-N 3.3Å; N89-V91 PolarHBondContact O-N 3.45Å; V91-T94 PolarHBondContact O-N 2.87Å; V91-R95 WeakPolarHBondContact O-CG 3.41Å; V91-R95 PolarHBondContact O-N 3.13Å
92	A	98.4	Very high	97.9	Very high	35 Å²	35	74 Å²	74	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-62.8	-41.4	174.9	0	0	0	0	0	112	V64 P88 N89 R95 R96	V64-A92 HydrophobicContact CG1-CB 3.81Å; P88-A92 WeakPolarHBondContact O-CB 3.46Å; P88-A92 PolarHBondContact O-N 3.09Å; N89-A92 PolarHBondContact O-N 2.98Å; A92-R95 WeakPolarHBondContact O-CB 3.39Å; A92-R95 PolarHBondContact O-N 3.45Å; A92-R96 PolarHBondContact O-N 3.46Å
93	F	98.6	Very high	98	Very high	67 Å²	67	70.8 Å²	70.8	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-42.9	176.6	-159.3	-123.1	0	0	0	111.3	D61 V64 F65 I68 N89 R95 R96 F97	D61-F93 HydrophobicContact CB-CE2 3.98Å; V64-F93 HydrophobicContact CB-CD2 4.14Å; V64-F93 HydrophobicContact CG1-CB 3.99Å; V64-F93 HydrophobicContact CG1-CD2 4.04Å; F65-F93 HydrophobicContact CB-CD2 4.29Å; F65-F93 HydrophobicContact CB-CE2 3.78Å; F65-F93 HydrophobicContact CB-CZ 3.99Å; F65-F93 HydrophobicContact CD2-CE1 4.02Å; F65-F93 HydrophobicContact CD2-CZ 4.04Å; F65-F93 HydrophobicContact CG-CZ 4.39Å; I68-F93 HydrophobicContact CD1-CB 4.17Å; I68-F93 HydrophobicContact CD1-CD1 4.26Å; I68-F93 HydrophobicContact CD1-CG 4.28Å; N89-F93 WeakPolarHBondContact O-CB 3.24Å; N89-F93 PolarHBondContact O-N 3.15Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.1Å; F93-R96 WeakPolarHBondContact O-CB 3.48Å; F93-R96 PolarHBondContact O-N 2.92Å; F93-R96 VanDerWaalsContact O-N 3.11Å; F93-F97 PolarHBondContact O-N 3.13Å
94	T	98.3	Very high	98	Very high	69 Å²	69	69.1 Å²	69.1	42%	0.423	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-38.1	171.1	-57.2	0	0	0	0	112	A90 V91 N98	A90-T94 WeakPolarHBondContact O-CB 3.24Å; A90-T94 PolarHBondContact O-N 3.46Å; A90-T94 PolarHBondContact O-OG1 2.93Å; V91-T94 PolarHBondContact O-N 2.87Å; T94-N98 PolarHBondContact O-N 2.9Å; T94-N98 VanDerWaalsContact O-N 3.14Å; T94-N98 PolarHBondContact O-ND2 3.47Å
95	R	98.2	Very high	98	Very high	166 Å²	166	66.3 Å²	66.3	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-38.3	174.6	-78.8	178.2	132.3	-142	-4.3	112.3	V91 A92 F93 N98 H99	V91-R95 WeakPolarHBondContact O-CG 3.41Å; V91-R95 PolarHBondContact O-N 3.13Å; A92-R95 WeakPolarHBondContact O-CB 3.39Å; A92-R95 PolarHBondContact O-N 3.45Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.1Å; R95-N98 PolarHBondContact O-N 3.27Å; R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-N 2.98Å
96	R	98.4	Very high	98.1	Very high	50 Å²	50	66.2 Å²	66.2	19%	0.189	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-46.7	174.9	-75.3	-167.2	53	69.1	17.2	112.1	M60 D61 A92 F93 N98 H99 V100	M60-R96 VanDerWaalsContact CB-CZ 3.46Å; M60-R96 VanDerWaalsContact CB-NH2 3.27Å; M60-R96 PolarHBondContact O-NE 3.21Å; D61-R96 IonicContact OD1-CZ 2.65Å; D61-R96 IonicContact OD1-NE 3.93Å; D61-R96 PolarHBondContact OD1-NE 3.25Å; D61-R96 IonicContact OD1-NH2 3.4Å; D61-R96 PolarHBondContact OD1-NH2 2.91Å; A92-R96 PolarHBondContact O-N 3.46Å; F93-R96 WeakPolarHBondContact O-CB 3.48Å; F93-R96 PolarHBondContact O-N 2.92Å; F93-R96 VanDerWaalsContact O-N 3.11Å; R96-N98 PolarHBondContact O-N 2.67Å; R96-H99 WeakPolarHBondContact O-CB 3.33Å; R96-H99 PolarHBondContact O-N 3.11Å; R96-H99 VanDerWaalsContact O-N 3.1Å; R96-V100 PolarHBondContact O-N 3.31Å
97	F	98.6	Very high	98	Very high	139 Å²	139	66 Å²	66	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-51.3	-53.8	172.8	175	-92.8	0	0	0	111.6	F93 H99 V100 S101	F93-F97 PolarHBondContact O-N 3.13Å; F97-H99 VanDerWaalsContact C-N 3.3Å; F97-H99 PolarHBondContact O-N 3.19Å; F97-V100 PolarHBondContact O-N 3.4Å; F97-S101 PolarHBondContact O-N 3.03Å; F97-S101 PolarHBondContact O-OG 3.18Å
98	N	98.3	Very high	98	Very high	88 Å²	88	67.4 Å²	67.4	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-34.9	178.9	-73.1	-57.8	0	0	0	113.2	T94 R95 R96 F102	T94-N98 PolarHBondContact O-N 2.9Å; T94-N98 VanDerWaalsContact O-N 3.14Å; T94-N98 PolarHBondContact O-ND2 3.47Å; R95-N98 PolarHBondContact O-N 3.27Å; R96-N98 PolarHBondContact O-N 2.67Å; N98-F102 VanDerWaalsContact O-CB 3.31Å; N98-F102 WeakPolarHBondContact O-CB 3.39Å; N98-F102 PolarHBondContact O-N 3.26Å
99	H	98.2	Very high	98	Very high	135 Å²	135	70.7 Å²	70.7	63%	0.625	35%	0.347	S	S	*	.	H	α-helix	trans	-65.9	-46.1	177.2	-170.3	102	0	0	0	111.6	R95 R96 F97 F102 W103	R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-N 2.98Å; R96-H99 WeakPolarHBondContact O-CB 3.33Å; R96-H99 PolarHBondContact O-N 3.11Å; R96-H99 VanDerWaalsContact O-N 3.1Å; F97-H99 VanDerWaalsContact C-N 3.3Å; F97-H99 PolarHBondContact O-N 3.19Å; H99-F102 PolarHBondContact O-N 3.1Å; H99-W103 VanDerWaalsContact O-CB 3.32Å; H99-W103 WeakPolarHBondContact O-CB 3.46Å; H99-W103 PolarHBondContact O-N 2.97Å
100	V	98.2	Very high	97.8	Very high	33 Å²	33	75.2 Å²	75.2	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-45.2	176.4	177.4	0	0	0	0	110.5	I57 R96 F97 F102 W103 V104	I57-V100 HydrophobicContact CD1-CG1 4.38Å; I57-V100 HydrophobicContact CG2-CG2 4.41Å; R96-V100 PolarHBondContact O-N 3.31Å; F97-V100 PolarHBondContact O-N 3.4Å; V100-F102 PolarHBondContact O-N 3.47Å; V100-W103 PolarHBondContact O-N 3.14Å; V100-V104 WeakPolarHBondContact O-CG2 3.41Å; V100-V104 PolarHBondContact O-N 3Å
101	S	98.3	Very high	97.6	Very high	48 Å²	48	75.3 Å²	75.3	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-46.1	176.6	-55	0	0	0	0	112.5	F97 V105	F97-S101 PolarHBondContact O-N 3.03Å; F97-S101 PolarHBondContact O-OG 3.18Å; S101-V105 WeakPolarHBondContact O-CG2 3.36Å; S101-V105 PolarHBondContact O-N 2.96Å; S101-V105 VanDerWaalsContact O-N 3.13Å
102	F	98.3	Very high	97.4	Very high	140 Å²	140	83.9 Å²	83.9	61%	0.614	41%	0.406	S	S	*	.	H	α-helix	trans	-65.7	-38.6	177.4	-178.9	-97.6	0	0	0	112.2	N98 H99 V100 V105 R106	N98-F102 VanDerWaalsContact O-CB 3.31Å; N98-F102 WeakPolarHBondContact O-CB 3.39Å; N98-F102 PolarHBondContact O-N 3.26Å; H99-F102 PolarHBondContact O-N 3.1Å; V100-F102 PolarHBondContact O-N 3.47Å; F102-V105 PolarHBondContact O-N 3.28Å; F102-R106 VanDerWaalsContact O-CB 3.3Å; F102-R106 WeakPolarHBondContact O-CB 3.33Å; F102-R106 PolarHBondContact O-N 2.94Å
103	W	97	Very high	97.3	Very high	40 Å²	40	85.2 Å²	85.2	15%	0.152	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-51.5	175.5	171.6	48.9	0	0	0	111.8	Y53 I57 H99 V100 V105 R106 E107 Y124	Y53-W103 AromaticContact CD1-CH2 3.7Å; Y53-W103 HydrophobicContact CD1-CH2 3.7Å; Y53-W103 HydrophobicContact CD1-CZ2 4.48Å; Y53-W103 AromaticContact CE1-CH2 3.58Å; Y53-W103 HydrophobicContact CE1-CH2 3.58Å; Y53-W103 AromaticContact CE1-CZ2 3.91Å; Y53-W103 HydrophobicContact CE1-CZ2 3.91Å; Y53-W103 HydrophobicContact CG-CH2 4.28Å; I57-W103 HydrophobicContact CD1-CZ3 4.25Å; H99-W103 VanDerWaalsContact O-CB 3.32Å; H99-W103 WeakPolarHBondContact O-CB 3.46Å; H99-W103 PolarHBondContact O-N 2.97Å; V100-W103 PolarHBondContact O-N 3.14Å; W103-V105 VanDerWaalsContact C-N 3.33Å; W103-V105 PolarHBondContact O-N 3.26Å; W103-R106 VanDerWaalsContact CD1-NH2 3.31Å; W103-R106 WeakPolarHBondContact O-CB 3.48Å; W103-R106 PolarHBondContact O-N 3.45Å; W103-R106 VanDerWaalsContact O-N 3.07Å; W103-E107 VanDerWaalsContact NE1-CG 3.28Å; W103-E107 PolarHBondContact NE1-OE1 2.9Å; W103-E107 WeakPolarHBondContact O-CG 3.43Å; W103-E107 PolarHBondContact O-N 2.77Å; W103-Y124 VanDerWaalsContact CE2-OH 3.3Å; W103-Y124 HydrophobicContact CE3-CE1 4.4Å; W103-Y124 AromaticContact CH2-CE1 3.68Å; W103-Y124 HydrophobicContact CH2-CE1 3.68Å; W103-Y124 WeakPolarHBondContact CH2-OH 3.47Å; W103-Y124 HydrophobicContact CZ2-CE1 4.18Å; W103-Y124 WeakPolarHBondContact CZ2-OH 3.44Å; W103-Y124 AromaticContact CZ3-CE1 3.8Å; W103-Y124 HydrophobicContact CZ3-CE1 3.8Å
104	V	98	Very high	97.3	Very high	36 Å²	36	88.3 Å²	88.3	22%	0.218	43%	0.43	C	S	.	.	H	α-helix	trans	-56.4	-46.8	177.5	171.9	0	0	0	0	111.4	V100 R106 E107 I108 Y124	V100-V104 WeakPolarHBondContact O-CG2 3.41Å; V100-V104 PolarHBondContact O-N 3Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 2.78Å; V104-E107 PolarHBondContact O-N 3.35Å; V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.4Å; V104-I108 PolarHBondContact O-N 2.82Å; V104-I108 VanDerWaalsContact O-N 3.15Å; V104-Y124 HydrophobicContact CG1-CD1 4.36Å; V104-Y124 HydrophobicContact CG1-CD2 3.85Å; V104-Y124 HydrophobicContact CG1-CE2 4.27Å; V104-Y124 HydrophobicContact CG1-CG 3.88Å; V104-Y124 HydrophobicContact CG2-CD1 3.78Å; V104-Y124 HydrophobicContact CG2-CE1 3.79Å; V104-Y124 HydrophobicContact CG2-CG 4.17Å
105	V	98.2	Very high	97.2	Very high	78 Å²	78	92.3 Å²	92.3	47%	0.473	44%	0.441	S	S	.	.	H	α-helix	trans	-60.8	-43.2	176.3	170.7	0	0	0	0	111.2	S101 F102 W103 L109	S101-V105 WeakPolarHBondContact O-CG2 3.36Å; S101-V105 PolarHBondContact O-N 2.96Å; S101-V105 VanDerWaalsContact O-N 3.13Å; F102-V105 PolarHBondContact O-N 3.28Å; W103-V105 VanDerWaalsContact C-N 3.33Å; W103-V105 PolarHBondContact O-N 3.26Å; V105-L109 HydrophobicContact CG1-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.35Å
106	R	97.1	Very high	97.1	Very high	101 Å²	101	87.6 Å²	87.6	38%	0.381	43%	0.428	S	S	.	.	H	α-helix	trans	-58.9	-54.3	177.9	-174.4	-172.9	72.7	-162.2	7.1	111	F102 W103 V104 I108 L109 H110	F102-R106 VanDerWaalsContact O-CB 3.3Å; F102-R106 WeakPolarHBondContact O-CB 3.33Å; F102-R106 PolarHBondContact O-N 2.94Å; W103-R106 VanDerWaalsContact CD1-NH2 3.31Å; W103-R106 WeakPolarHBondContact O-CB 3.48Å; W103-R106 PolarHBondContact O-N 3.45Å; W103-R106 VanDerWaalsContact O-N 3.07Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 2.78Å; R106-I108 VanDerWaalsContact C-N 3.35Å; R106-I108 PolarHBondContact O-N 2.89Å; R106-L109 PolarHBondContact O-N 3.17Å; R106-H110 WeakPolarHBondContact CG-ND1 3.37Å; R106-H110 WeakPolarHBondContact O-CB 3.44Å; R106-H110 PolarHBondContact O-N 2.81Å; R106-H110 PolarHBondContact O-ND1 3.43Å
107	E	96	Very high	97.1	Very high	38 Å²	38	89.3 Å²	89.3	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-40.1	-175.5	-60.3	-47.9	135	0	0	112.3	V45 W103 V104 H110 A111 V120 Y124	V45-E107 HydrophobicContact CG2-CB 4.26Å; V45-E107 HydrophobicContact CG2-CG 3.84Å; W103-E107 VanDerWaalsContact NE1-CG 3.28Å; W103-E107 PolarHBondContact NE1-OE1 2.9Å; W103-E107 WeakPolarHBondContact O-CG 3.43Å; W103-E107 PolarHBondContact O-N 2.77Å; V104-E107 PolarHBondContact O-N 3.35Å; E107-H110 PolarHBondContact O-N 3.4Å; E107-A111 PolarHBondContact O-N 3Å; E107-V120 HydrophobicContact CB-CG1 4.3Å; E107-Y124 HydrophobicContact CB-CE2 3.97Å; E107-Y124 WeakPolarHBondContact CG-OH 3.44Å
108	I	96.9	Very high	97.1	Very high	31 Å²	31	85.4 Å²	85.4	16%	0.159	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-44.4	174.9	-66.9	167.5	0	0	0	111	V104 R106 R117 V120 L121 Y124	V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.4Å; V104-I108 PolarHBondContact O-N 2.82Å; V104-I108 VanDerWaalsContact O-N 3.15Å; R106-I108 VanDerWaalsContact C-N 3.35Å; R106-I108 PolarHBondContact O-N 2.89Å; I108-R117 HydrophobicContact CG2-CG 3.88Å; I108-R117 WeakPolarHBondContact O-CD 3.34Å; I108-R117 VanDerWaalsContact O-CG 3.27Å; I108-R117 WeakPolarHBondContact O-CG 3.4Å; I108-V120 HydrophobicContact CG1-CG1 3.94Å; I108-L121 HydrophobicContact CD1-CD1 4Å; I108-Y124 HydrophobicContact CD1-CD2 4.22Å; I108-Y124 HydrophobicContact CG1-CD2 4.15Å; I108-Y124 HydrophobicContact CG1-CE2 4.44Å
109	L	97.2	Very high	97.1	Very high	127 Å²	127	85 Å²	85	67%	0.665	42%	0.423	S	S	*	.	H	α-helix	trans	-75.9	-25.2	-177.8	-67.4	178.9	0	0	0	114	V105 R106	V105-L109 HydrophobicContact CG1-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.35Å; R106-L109 PolarHBondContact O-N 3.17Å
110	H	94.4	Very high	97	Very high	138 Å²	138	78.9 Å²	78.9	64%	0.639	40%	0.395	S	S	*	.	H	α-helix	trans	-87.4	-8.6	178.5	-70.3	68.3	0	0	0	113.5	R106 E107 Q112	R106-H110 WeakPolarHBondContact CG-ND1 3.37Å; R106-H110 WeakPolarHBondContact O-CB 3.44Å; R106-H110 PolarHBondContact O-N 2.81Å; R106-H110 PolarHBondContact O-ND1 3.43Å; E107-H110 PolarHBondContact O-N 3.4Å; H110-Q112 PolarHBondContact O-N 2.86Å; H110-Q112 VanDerWaalsContact O-N 3.16Å
111	A	94.9	Very high	97	Very high	13 Å²	13	81.3 Å²	81.3	11%	0.107	41%	0.407	C	S	.	.			trans	-62.4	113.8	175	0	0	0	0	0	112	E107 T113 I116 R117	E107-A111 PolarHBondContact O-N 3Å; A111-T113 VanDerWaalsContact C-N 3.28Å; A111-T113 PolarHBondContact O-N 2.95Å; A111-T113 VanDerWaalsContact O-N 3.13Å; A111-I116 HydrophobicContact CB-CG2 4.08Å; A111-R117 HydrophobicContact CB-CB 3.77Å; A111-R117 HydrophobicContact CB-CG 4.36Å; A111-R117 PolarHBondContact O-NH1 2.81Å
112	Q	93.9	Very high	97	Very high	189 Å²	189	81.3 Å²	81.3	88%	0.883	41%	0.407	S	S	*	.	S	Bend	trans	-60.5	-26.9	-166.8	-60.1	-176.9	22.2	0	0	115.4	H110	H110-Q112 PolarHBondContact O-N 2.86Å; H110-Q112 VanDerWaalsContact O-N 3.16Å
113	T	96.1	Very high	97	Very high	64 Å²	64	75.5 Å²	75.5	39%	0.393	38%	0.381	S	S	.	.	S	Bend	trans	-126.8	155.4	-178.3	74.3	0	0	0	0	111.4	A111 K115 I116 R117	A111-T113 VanDerWaalsContact C-N 3.28Å; A111-T113 PolarHBondContact O-N 2.95Å; A111-T113 VanDerWaalsContact O-N 3.13Å; T113-K115 PolarHBondContact O-N 3.24Å; T113-I116 HydrophobicContact CG2-CD1 4.31Å; T113-I116 PolarHBondContact O-N 3.44Å; T113-I116 WeakPolarHBondContact OG1-CG1 3.44Å; T113-I116 PolarHBondContact OG1-N 3.01Å; T113-R117 WeakPolarHBondContact O-CB 3.37Å; T113-R117 PolarHBondContact O-N 3.24Å
114	L	97.8	Very high	97.1	Very high	131 Å²	131	74.5 Å²	74.5	69%	0.686	38%	0.378	S	S	*	.	H	α-helix	trans	-57.2	-38.8	175.5	178.6	63.2	0	0	0	112.2	R117 A118	L114-R117 PolarHBondContact O-N 2.78Å; L114-A118 PolarHBondContact O-N 3.12Å
115	K	97.5	Very high	97.1	Very high	153 Å²	153	78 Å²	78	67%	0.665	39%	0.394	S	S	*	.	H	α-helix	trans	-63.5	-54.1	178.3	179.9	177.8	170.6	-179	0	111.3	T113 R117 A118 E119	T113-K115 PolarHBondContact O-N 3.24Å; K115-R117 VanDerWaalsContact C-N 3.26Å; K115-R117 PolarHBondContact O-N 2.88Å; K115-A118 PolarHBondContact O-N 3.09Å; K115-A118 VanDerWaalsContact O-N 3.13Å; K115-E119 WeakPolarHBondContact CE-OE1 3.31Å; K115-E119 IonicContact NZ-OE1 2.67Å; K115-E119 PolarHBondContact O-N 3.04Å
116	I	95.9	Very high	97.1	Very high	68 Å²	68	80.9 Å²	80.9	35%	0.349	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-40	179.1	-63.8	167.6	0	0	0	110.1	L46 A111 T113 A118 E119 V120	L46-I116 HydrophobicContact CD1-CG2 4.48Å; A111-I116 HydrophobicContact CB-CG2 4.08Å; T113-I116 HydrophobicContact CG2-CD1 4.31Å; T113-I116 PolarHBondContact O-N 3.44Å; T113-I116 WeakPolarHBondContact OG1-CG1 3.44Å; T113-I116 PolarHBondContact OG1-N 3.01Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.9Å; I116-E119 WeakPolarHBondContact O-CB 3.41Å; I116-E119 PolarHBondContact O-N 3.41Å; I116-E119 VanDerWaalsContact O-N 3.16Å; I116-V120 HydrophobicContact CG2-CG2 4.2Å; I116-V120 WeakPolarHBondContact O-CG2 3.22Å; I116-V120 PolarHBondContact O-N 3.1Å
117	R	98	Very high	97.1	Very high	85 Å²	85	77.3 Å²	77.3	32%	0.321	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-39	176.8	-176.1	162.7	60.3	-105.1	4.3	113.1	I108 A111 T113 L114 K115 L121	I108-R117 HydrophobicContact CG2-CG 3.88Å; I108-R117 WeakPolarHBondContact O-CD 3.34Å; I108-R117 VanDerWaalsContact O-CG 3.27Å; I108-R117 WeakPolarHBondContact O-CG 3.4Å; A111-R117 HydrophobicContact CB-CB 3.77Å; A111-R117 HydrophobicContact CB-CG 4.36Å; A111-R117 PolarHBondContact O-NH1 2.81Å; T113-R117 WeakPolarHBondContact O-CB 3.37Å; T113-R117 PolarHBondContact O-N 3.24Å; L114-R117 PolarHBondContact O-N 2.78Å; K115-R117 VanDerWaalsContact C-N 3.26Å; K115-R117 PolarHBondContact O-N 2.88Å; R117-L121 WeakPolarHBondContact O-CB 3.18Å; R117-L121 PolarHBondContact O-N 3.42Å
118	A	98.4	Very high	96.9	Very high	57 Å²	57	82.2 Å²	82.2	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-68.2	-37.1	174.5	0	0	0	0	0	112.1	L114 K115 I116 S122	L114-A118 PolarHBondContact O-N 3.12Å; K115-A118 PolarHBondContact O-N 3.09Å; K115-A118 VanDerWaalsContact O-N 3.13Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.9Å; A118-S122 WeakPolarHBondContact O-CB 3.46Å; A118-S122 PolarHBondContact O-N 3.07Å
119	E	97.9	Very high	96.9	Very high	80 Å²	80	84.8 Å²	84.8	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-45.9	174.5	-70.6	167.6	-174.8	0	0	111.6	L46 K115 I116 S122 H123	L46-E119 HydrophobicContact CD1-CB 4.17Å; K115-E119 WeakPolarHBondContact CE-OE1 3.31Å; K115-E119 IonicContact NZ-OE1 2.67Å; K115-E119 PolarHBondContact O-N 3.04Å; I116-E119 WeakPolarHBondContact O-CB 3.41Å; I116-E119 PolarHBondContact O-N 3.41Å; I116-E119 VanDerWaalsContact O-N 3.16Å; E119-S122 PolarHBondContact O-N 3.4Å; E119-H123 WeakPolarHBondContact O-CB 3.46Å; E119-H123 PolarHBondContact O-N 3.43Å
120	V	97.6	Very high	96.9	Very high	7 Å²	7	82.5 Å²	82.5	4%	0.042	44%	0.439	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.1	173.4	0	0	0	0	111.6	L46 E107 I108 I116 H123 Y124	L46-V120 HydrophobicContact CD1-CG2 4.31Å; L46-V120 HydrophobicContact CD2-CG2 3.91Å; L46-V120 HydrophobicContact CG-CG2 4.11Å; E107-V120 HydrophobicContact CB-CG1 4.3Å; I108-V120 HydrophobicContact CG1-CG1 3.94Å; I116-V120 HydrophobicContact CG2-CG2 4.2Å; I116-V120 WeakPolarHBondContact O-CG2 3.22Å; I116-V120 PolarHBondContact O-N 3.1Å; V120-H123 VanDerWaalsContact O-CB 3.31Å; V120-H123 WeakPolarHBondContact O-CB 3.49Å; V120-H123 PolarHBondContact O-N 3.1Å; V120-Y124 HydrophobicContact CG1-CD2 3.91Å; V120-Y124 HydrophobicContact CG1-CE2 3.63Å; V120-Y124 VanDerWaalsContact O-CD2 3.3Å; V120-Y124 WeakPolarHBondContact O-CD2 3.27Å; V120-Y124 PolarHBondContact O-N 2.74Å; V120-Y124 VanDerWaalsContact O-N 3.09Å
121	L	98.4	Very high	97	Very high	84 Å²	84	79.4 Å²	79.4	44%	0.44	43%	0.428	S	S	.	.	H	α-helix	trans	-61.2	-46.7	173.5	175.3	62.1	0	0	0	111.5	I108 R117 H123 Y124 I125	I108-L121 HydrophobicContact CD1-CD1 4Å; R117-L121 WeakPolarHBondContact O-CB 3.18Å; R117-L121 PolarHBondContact O-N 3.42Å; L121-H123 PolarHBondContact O-N 3.15Å; L121-Y124 PolarHBondContact O-N 3.18Å; L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.43Å; L121-I125 HydrophobicContact CG-CD1 3.98Å; L121-I125 WeakPolarHBondContact O-CG1 3.14Å; L121-I125 PolarHBondContact O-N 2.86Å
122	S	98.3	Very high	97.2	Very high	47 Å²	47	83.4 Å²	83.4	33%	0.329	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-32.8	175.6	-177.6	0	0	0	0	112.2	A118 E119 K126	A118-S122 WeakPolarHBondContact O-CB 3.46Å; A118-S122 PolarHBondContact O-N 3.07Å; E119-S122 PolarHBondContact O-N 3.4Å; S122-K126 WeakPolarHBondContact O-CD 3.36Å; S122-K126 WeakPolarHBondContact O-CG 3.44Å; S122-K126 PolarHBondContact O-N 3.3Å; S122-K126 PolarHBondContact OG-NZ 2.99Å
123	H	98.1	Very high	97.4	Very high	19 Å²	19	76.8 Å²	76.8	9%	0.088	42%	0.42	C	S	.	.	H	α-helix	trans	-63.2	-51.6	176.2	-161.7	100.7	0	0	0	111.1	L46 V48 Y53 E119 V120 L121 I125 K126 T127	L46-H123 HydrophobicContact CD2-CB 4Å; V48-H123 PolarHBondContact O-CE1 2.99Å; V48-H123 PolarHBondContact O-NE2 3.37Å; Y53-H123 AromaticContact CD2-CD2 3.9Å; Y53-H123 AromaticContact CD2-NE2 3.47Å; Y53-H123 WeakPolarHBondContact CD2-NE2 3.36Å; Y53-H123 AromaticContact CE2-CD2 3.99Å; Y53-H123 AromaticContact CE2-NE2 3.59Å; E119-H123 WeakPolarHBondContact O-CB 3.46Å; E119-H123 PolarHBondContact O-N 3.43Å; V120-H123 VanDerWaalsContact O-CB 3.31Å; V120-H123 WeakPolarHBondContact O-CB 3.49Å; V120-H123 PolarHBondContact O-N 3.1Å; L121-H123 PolarHBondContact O-N 3.15Å; H123-I125 VanDerWaalsContact C-N 3.33Å; H123-I125 PolarHBondContact O-N 3.5Å; H123-K126 WeakPolarHBondContact O-CB 3.49Å; H123-K126 PolarHBondContact O-N 3.22Å; H123-T127 PolarHBondContact O-N 3.08Å; H123-T127 PolarHBondContact O-OG1 3.42Å; H123-T127 VanDerWaalsContact O-OG1 3.13Å
124	Y	98.1	Very high	97.5	Very high	18 Å²	18	77.6 Å²	77.6	7%	0.071	42%	0.422	C	S	.	.	H	α-helix	trans	-66.9	-31.1	178.1	-72.3	-59.9	0	0	0	113.8	V45 W103 V104 E107 I108 V120 L121 K126 T127 A128	V45-Y124 HydrophobicContact CG1-CE2 4.24Å; W103-Y124 VanDerWaalsContact CE2-OH 3.3Å; W103-Y124 HydrophobicContact CE3-CE1 4.4Å; W103-Y124 AromaticContact CH2-CE1 3.68Å; W103-Y124 HydrophobicContact CH2-CE1 3.68Å; W103-Y124 WeakPolarHBondContact CH2-OH 3.47Å; W103-Y124 HydrophobicContact CZ2-CE1 4.18Å; W103-Y124 WeakPolarHBondContact CZ2-OH 3.44Å; W103-Y124 AromaticContact CZ3-CE1 3.8Å; W103-Y124 HydrophobicContact CZ3-CE1 3.8Å; V104-Y124 HydrophobicContact CG1-CD1 4.36Å; V104-Y124 HydrophobicContact CG1-CD2 3.85Å; V104-Y124 HydrophobicContact CG1-CE2 4.27Å; V104-Y124 HydrophobicContact CG1-CG 3.88Å; V104-Y124 HydrophobicContact CG2-CD1 3.78Å; V104-Y124 HydrophobicContact CG2-CE1 3.79Å; V104-Y124 HydrophobicContact CG2-CG 4.17Å; E107-Y124 HydrophobicContact CB-CE2 3.97Å; E107-Y124 WeakPolarHBondContact CG-OH 3.44Å; I108-Y124 HydrophobicContact CD1-CD2 4.22Å; I108-Y124 HydrophobicContact CG1-CD2 4.15Å; I108-Y124 HydrophobicContact CG1-CE2 4.44Å; V120-Y124 HydrophobicContact CG1-CD2 3.91Å; V120-Y124 HydrophobicContact CG1-CE2 3.63Å; V120-Y124 VanDerWaalsContact O-CD2 3.3Å; V120-Y124 WeakPolarHBondContact O-CD2 3.27Å; V120-Y124 PolarHBondContact O-N 2.74Å; V120-Y124 VanDerWaalsContact O-N 3.09Å; L121-Y124 PolarHBondContact O-N 3.18Å; Y124-K126 PolarHBondContact O-N 3.41Å; Y124-T127 WeakPolarHBondContact O-CB 3.33Å; Y124-T127 PolarHBondContact O-N 3.5Å; Y124-T127 VanDerWaalsContact O-N 3.12Å; Y124-A128 PolarHBondContact O-N 2.7Å
125	I	98.3	Very high	97.4	Very high	111 Å²	111	73.8 Å²	73.8	57%	0.569	40%	0.403	S	S	*	.	H	α-helix	trans	-63.1	-30.7	171.2	-69.3	166.6	0	0	0	111.6	L121 H123 T127	L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.43Å; L121-I125 HydrophobicContact CG-CD1 3.98Å; L121-I125 WeakPolarHBondContact O-CG1 3.14Å; L121-I125 PolarHBondContact O-N 2.86Å; H123-I125 VanDerWaalsContact C-N 3.33Å; H123-I125 PolarHBondContact O-N 3.5Å; I125-T127 VanDerWaalsContact C-N 3.35Å
126	K	98	Very high	97.4	Very high	138 Å²	138	67.7 Å²	67.7	60%	0.6	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.8	174.7	-67.2	162.5	-178.3	164.7	0	113.6	P50 S122 H123 Y124	P50-K126 HydrophobicContact CB-CB 3.83Å; P50-K126 WeakPolarHBondContact CB-O 3.31Å; P50-K126 HydrophobicContact CG-CB 3.76Å; P50-K126 HydrophobicContact CG-CD 4.42Å; S122-K126 WeakPolarHBondContact O-CD 3.36Å; S122-K126 WeakPolarHBondContact O-CG 3.44Å; S122-K126 PolarHBondContact O-N 3.3Å; S122-K126 PolarHBondContact OG-NZ 2.99Å; H123-K126 WeakPolarHBondContact O-CB 3.49Å; H123-K126 PolarHBondContact O-N 3.22Å; Y124-K126 PolarHBondContact O-N 3.41Å
127	T	97.3	Very high	97.6	Very high	25 Å²	25	67.7 Å²	67.7	15%	0.153	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-20.9	176.7	-54.1	0	0	0	0	111.9	A54 I57 H123 Y124 I125	A54-T127 HydrophobicContact CB-CG2 4.25Å; I57-T127 HydrophobicContact CD1-CG2 4.27Å; H123-T127 PolarHBondContact O-N 3.08Å; H123-T127 PolarHBondContact O-OG1 3.42Å; H123-T127 VanDerWaalsContact O-OG1 3.13Å; Y124-T127 WeakPolarHBondContact O-CB 3.33Å; Y124-T127 PolarHBondContact O-N 3.5Å; Y124-T127 VanDerWaalsContact O-N 3.12Å; I125-T127 VanDerWaalsContact C-N 3.35Å
128	A	92.3	Very high	97.5	Very high	141 Å²	141	66.1 Å²	66.1	100%	1.165	39%	0.391	S	S	*	.			trans	-91.6	0	-178.4	0	0	0	0	0	112.8	Y124	Y124-A128 PolarHBondContact O-N 2.7Å

Retrieved 128 of 128 residues in 82.3 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).