A0A077ZAN3_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.7	Low	51.1	Low	239 Å²	239	144.4 Å²	144.4	100%	1.177	81%	0.812	S	S	*	*				0	101.7	0	-69.7	-86.1	-166.4	0	0	106.3
2	L	47.8	Very low	51.1	Low	165 Å²	165	146.2 Å²	146.2	86%	0.864	82%	0.817	S	S	*	*			trans	-70.9	123.6	-174.9	-131.9	71.7	0	0	0	108.6
3	V	59.6	Low	50.6	Low	137 Å²	137	153.5 Å²	153.5	83%	0.83	83%	0.827	S	S	*	*			trans	-92	98	170.5	-75	0	0	0	0	108.4	S5	V3-S5 PolarHBondContact O-N 2.87Å
4	D	44.8	Very low	50.2	Low	117 Å²	117	156.2 Å²	156.2	63%	0.626	83%	0.832	S	S	*	*			trans	-62.9	120.9	168.3	-101.9	-78	0	0	0	109.6	R6	D4-R6 IonicContact OD1-NE 2.7Å
5	S	57.5	Low	49.4	Very low	114 Å²	114	150.3 Å²	150.3	80%	0.797	82%	0.822	S	S	*	*			trans	-126	77	166.1	-69.2	0	0	0	0	108.2	V3	V3-S5 PolarHBondContact O-N 2.87Å
6	R	51.8	Low	49.6	Very low	222 Å²	222	151.5 Å²	151.5	84%	0.838	83%	0.826	S	S	*	*			trans	-91.1	99	165.6	-65.9	-169.6	-175.1	-164.5	-1.5	108.5	D4	D4-R6 IonicContact OD1-NE 2.7Å
7	I	56.3	Low	49.7	Very low	167 Å²	167	150.9 Å²	150.9	86%	0.856	83%	0.828	S	S	*	*			trans	-109	90.6	157	-65	173.5	0	0	0	105.4
8	D	47.7	Very low	49.4	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	83%	0.826	S	S	*	*			trans	-85.4	123	165.7	-175.6	72.1	0	0	0	107.7
9	S	54.5	Low	49.7	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	82%	0.822	S	S	*	*			trans	-158.7	96.3	158.4	-84.5	0	0	0	0	108.6
10	P	46.1	Very low	50.4	Low	110 Å²	110	144.1 Å²	144.1	71%	0.714	82%	0.818	S	S	*	*			trans	-88	126	168.4	33.1	-25.8	0	0	0	108.6
11	G	45.5	Very low	51.1	Low	70 Å²	70	143.3 Å²	143.3	72%	0.722	82%	0.817	S	S	*	*			trans	-178.7	118.8	176.3	0	0	0	0	0	114.9
12	L	50.8	Low	51.9	Low	166 Å²	166	137.8 Å²	137.8	87%	0.869	80%	0.799	S	S	*	*			trans	81.5	54.4	164.7	-61.7	163.7	0	0	0	117.6
13	Y	44.3	Very low	52.2	Low	242 Å²	242	136.4 Å²	136.4	95%	0.949	79%	0.792	S	S	*	*			trans	-111.5	77.5	143.3	-106.3	-93.3	0	0	0	108.6
14	Q	45.9	Very low	52.1	Low	191 Å²	191	138.3 Å²	138.3	89%	0.893	80%	0.797	S	S	*	*			trans	-152.7	113.5	170.6	-158.6	135.6	65.1	0	0	109.4
15	G	38.5	Very low	52.6	Low	67 Å²	67	137.3 Å²	137.3	69%	0.691	80%	0.799	S	S	*	*			trans	126	56.2	163.5	0	0	0	0	0	117.6
16	L	51.2	Low	51.9	Low	170 Å²	170	135.1 Å²	135.1	89%	0.89	80%	0.795	S	S	*	*			trans	-134.1	74.4	151.9	-82.4	176.5	0	0	0	109.3
17	V	51.9	Low	52.2	Low	142 Å²	142	130.7 Å²	130.7	86%	0.861	80%	0.798	S	S	*	*			trans	-84.8	123.2	160.3	-88.9	0	0	0	0	108
18	G	45.3	Very low	52	Low	76 Å²	76	131 Å²	131	78%	0.784	80%	0.801	S	S	*	*			trans	73.1	81.3	154.2	0	0	0	0	0	117.7
19	V	55.1	Low	52.3	Low	124 Å²	124	129.4 Å²	129.4	75%	0.752	81%	0.807	S	S	*	*			trans	-115.4	111.9	153	-163	0	0	0	0	107.5	T21	V19-T21 PolarHBondContact O-N 3.28Å
20	P	62.5	Low	52.1	Low	115 Å²	115	127.5 Å²	127.5	75%	0.747	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.4	175.5	26.9	-30.4	0	0	0	109.5
21	T	65.9	Low	52.8	Low	128 Å²	128	127.4 Å²	127.4	79%	0.785	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.3	130.5	167.2	48	0	0	0	0	109.2	V19 D23	V19-T21 PolarHBondContact O-N 3.28Å; T21-D23 PolarHBondContact O-N 3.01Å
22	P	66.4	Low	53.1	Low	123 Å²	123	131.4 Å²	131.4	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.7	122	170.8	27.2	-30.2	0	0	0	109.2	L24	P22-L24 PolarHBondContact O-N 3.37Å
23	D	55.8	Low	53.3	Low	136 Å²	136	131.1 Å²	131.1	73%	0.727	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.4	172	-178.3	17.9	0	0	0	109.7	T21 S25	T21-D23 PolarHBondContact O-N 3.01Å; D23-S25 PolarHBondContact O-N 2.88Å
24	L	57.6	Low	53.6	Low	177 Å²	177	125.9 Å²	125.9	93%	0.927	80%	0.803	S	S	*	*			trans	-90.6	81.3	171.7	-73.1	170	0	0	0	107.8	P22	P22-L24 PolarHBondContact O-N 3.37Å
25	S	53.4	Low	53.5	Low	96 Å²	96	121.9 Å²	121.9	67%	0.671	79%	0.793	S	S	*	*			trans	-123.4	109.2	172.5	-168.2	0	0	0	0	111.3	D23	D23-S25 PolarHBondContact O-N 2.88Å
26	G	44.6	Very low	54.3	Low	69 Å²	69	125.4 Å²	125.4	71%	0.711	80%	0.801	S	S	*	*			trans	44.8	112.9	144.1	0	0	0	0	0	120.4
27	S	56.7	Low	54.3	Low	128 Å²	128	122.4 Å²	122.4	90%	0.895	79%	0.794	S	S	*	*			trans	-159.1	104.1	134.5	-79	0	0	0	0	110.6
28	N	51.5	Low	54.3	Low	173 Å²	173	123.8 Å²	123.8	93%	0.925	80%	0.796	S	S	*	*			trans	-70.1	127.1	156.6	-93.1	-12.3	0	0	0	108.3
29	A	54.7	Low	54.5	Low	102 Å²	102	123.7 Å²	123.7	84%	0.843	80%	0.795	S	S	*	*			trans	-151	111.2	154.8	0	0	0	0	0	108.1
30	G	51.3	Low	53.9	Low	73 Å²	73	121.9 Å²	121.9	75%	0.753	80%	0.802	S	S	*	*			trans	-80.5	155.8	172.7	0	0	0	0	0	112
31	S	60.7	Low	52.9	Low	108 Å²	108	120.1 Å²	120.1	76%	0.755	81%	0.805	S	S	*	*			trans	156	144.3	158.3	42.7	0	0	0	0	106.3
32	D	50.9	Low	52	Low	153 Å²	153	118.4 Å²	118.4	82%	0.818	80%	0.803	S	S	*	*			cis	-153.6	147.5	-17	-100.4	-44	0	0	0	105.5
33	L	54.3	Low	51.2	Low	160 Å²	160	119.2 Å²	119.2	84%	0.838	81%	0.807	S	S	*	*			trans	-75.2	122	175.4	-173.9	72.7	0	0	0	109.2
34	T	51	Low	51.1	Low	132 Å²	132	120.8 Å²	120.8	81%	0.81	82%	0.815	S	S	*	*			trans	-126.2	111	161.3	50.4	0	0	0	0	110
35	T	44.4	Very low	50.6	Low	108 Å²	108	115.5 Å²	115.5	66%	0.663	80%	0.803	S	S	*	*			trans	-77.9	125.4	168.3	-53.9	0	0	0	0	108.3
36	T	54.9	Low	50.8	Low	141 Å²	141	116.6 Å²	116.6	87%	0.865	81%	0.811	S	S	*	*			trans	-134.6	129.1	154.2	46.6	0	0	0	0	108.7
37	S	51.1	Low	50.9	Low	107 Å²	107	120.4 Å²	120.4	75%	0.748	82%	0.815	S	S	*	*			trans	-103.3	129.4	-179.6	-48.6	0	0	0	0	107.9
38	D	52	Low	50.7	Low	170 Å²	170	123.1 Å²	123.1	91%	0.909	82%	0.819	S	S	*	*			trans	-172.4	131.5	152.7	-122.5	-8	0	0	0	105.6
39	G	49	Very low	50.6	Low	74 Å²	74	123.2 Å²	123.2	76%	0.763	81%	0.813	S	S	*	*			cis	110.9	98.9	34.9	0	0	0	0	0	107.7
40	G	43.4	Very low	50.2	Low	86 Å²	86	122.5 Å²	122.5	89%	0.887	80%	0.802	S	S	*	*			trans	148.8	109.1	168.3	0	0	0	0	0	116.2
41	G	41.8	Very low	50.3	Low	78 Å²	78	127.8 Å²	127.8	80%	0.804	81%	0.807	S	S	*	*			trans	-108	-168.9	170.2	0	0	0	0	0	113.5
42	A	47.2	Very low	49.4	Very low	92 Å²	92	134.6 Å²	134.6	76%	0.76	82%	0.816	S	S	*	*			trans	93.9	93.8	179	0	0	0	0	0	114.8
43	T	48.7	Very low	49.4	Very low	141 Å²	141	132 Å²	132	87%	0.865	81%	0.81	S	S	*	*				74.7	109.8	91.3	58	0	0	0	0	115.8
44	D	53.6	Low	49.1	Very low	168 Å²	168	131.1 Å²	131.1	90%	0.898	81%	0.811	S	S	*	*			trans	176	128.1	136.4	-142.5	7.6	0	0	0	105.7
45	G	48.3	Very low	49	Very low	67 Å²	67	130.4 Å²	130.4	69%	0.691	81%	0.811	S	S	*	*			cis	111	72.1	42.1	0	0	0	0	0	109.4
46	S	57.1	Low	48.9	Very low	119 Å²	119	130.6 Å²	130.6	83%	0.832	82%	0.824	S	S	*	*			trans	-163.7	115.3	159.6	62.8	0	0	0	0	113.4
47	D	45.9	Very low	48.3	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	82%	0.819	S	S	*	*			trans	-59.4	143.8	169.8	-61.3	-74.3	0	0	0	114.2
48	L	52.6	Low	48.2	Very low	185 Å²	185	131.6 Å²	131.6	97%	0.969	82%	0.823	S	S	*	*			trans	-143.2	91.3	146.7	-77.9	-178	0	0	0	110.4
49	H	49.9	Very low	48.1	Very low	175 Å²	175	133.2 Å²	133.2	81%	0.81	82%	0.823	S	S	*	*			trans	-95.1	132.5	165.5	-177.4	73.3	0	0	0	110
50	S	45.7	Very low	47.9	Very low	86 Å²	86	140.9 Å²	140.9	60%	0.601	83%	0.828	S	S	*	*			trans	60.9	105.5	150.2	-165.2	0	0	0	0	119.4
51	Q	54.1	Low	48.2	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	83%	0.828	S	S	*	*			trans	-140	99	138	-73.4	-165.1	-24.1	0	0	111.2
52	R	42.4	Very low	48.3	Very low	251 Å²	251	152.5 Å²	152.5	95%	0.947	83%	0.833	S	S	*	*			trans	-70.1	118.3	146.7	-104.4	173.5	140.5	-144.6	-1.4	106.8
53	S	50.4	Low	48.3	Very low	97 Å²	97	151.4 Å²	151.4	68%	0.678	83%	0.831	S	S	*	*			trans	-136.7	108.1	162.3	59.2	0	0	0	0	109.8
54	V	47.5	Very low	48.3	Very low	143 Å²	143	152.8 Å²	152.8	87%	0.867	83%	0.828	S	S	*	*			trans	-59.4	124.9	156.4	-85.3	0	0	0	0	108.7
55	S	49	Very low	48.1	Very low	117 Å²	117	149 Å²	149	82%	0.818	81%	0.813	S	S	*	*			trans	-164.6	114.8	156.9	-82.3	0	0	0	0	110.7
56	A	42.6	Very low	48	Very low	112 Å²	112	151.1 Å²	151.1	93%	0.926	81%	0.812	S	S	*	*			trans	-58	135.7	164.1	0	0	0	0	0	110.1
57	G	42.3	Very low	47.7	Very low	74 Å²	74	148.4 Å²	148.4	76%	0.763	79%	0.788	S	S	*	*			trans	-170.1	86.6	-176.2	0	0	0	0	0	113.3	K59	G57-K59 PolarHBondContact O-N 2.84Å
58	K	48	Very low	48.1	Very low	194 Å²	194	146.6 Å²	146.6	84%	0.843	79%	0.787	S	S	*	*			trans	-55.4	118.5	171.4	-179.6	147.3	174.9	166.7	0	111.9
59	K	49.8	Very low	48.2	Very low	205 Å²	205	146 Å²	146	89%	0.891	78%	0.78	S	S	*	*			trans	-154.7	119.9	151.6	-109.5	170.7	-173.8	-179	0	111.5	G57	G57-K59 PolarHBondContact O-N 2.84Å
60	R	45.3	Very low	48.4	Very low	234 Å²	234	143 Å²	143	88%	0.883	77%	0.766	S	S	*	*			trans	-73.3	120.9	177.3	-59.6	159.7	76.6	165.2	4.5	107.4
61	N	49.3	Very low	49.2	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	76%	0.763	S	S	*	*			trans	-116.2	110.6	161	-158.9	6.3	0	0	0	109	G63	N61-G63 PolarHBondContact O-N 2.85Å
62	R	45.8	Very low	49.6	Very low	245 Å²	245	138.7 Å²	138.7	93%	0.925	74%	0.742	S	S	*	*			trans	-92.4	88.4	-178.7	179.1	178.3	-172.6	177.1	1.8	106
63	G	45.5	Very low	50.9	Low	69 Å²	69	133.6 Å²	133.6	71%	0.711	73%	0.729	S	S	*	*			trans	-96.7	105.2	172.1	0	0	0	0	0	109.9	N61	N61-G63 PolarHBondContact O-N 2.85Å
64	Q	49.7	Very low	52.2	Low	171 Å²	171	132.4 Å²	132.4	80%	0.799	72%	0.715	S	S	*	*			trans	14.6	123.6	158.4	-152.3	172.6	6.1	0	0	120
65	P	48.2	Very low	53.7	Low	89 Å²	89	133.2 Å²	133.2	58%	0.578	71%	0.707	S	S	*	*			trans	-88.3	109.4	175.5	35.7	-29.8	0	0	0	110.4	D67	P65-D67 HydrophobicContact CB-CB 3.64Å; P65-D67 WeakPolarHBondContact CB-OD2 3.29Å; P65-D67 PolarHBondContact O-N 3.26Å
66	T	47	Very low	55.1	Low	111 Å²	111	133.9 Å²	133.9	68%	0.681	70%	0.697	S	S	*	*			trans	-91.8	55.3	153.8	50.5	0	0	0	0	107.5
67	D	50.8	Low	57.1	Low	61 Å²	61	135.9 Å²	135.9	33%	0.326	68%	0.681	S	S	.	*			trans	-105.3	99.8	-158.3	-79.2	-16.2	0	0	0	110.9	P65 Y71	P65-D67 HydrophobicContact CB-CB 3.64Å; P65-D67 WeakPolarHBondContact CB-OD2 3.29Å; P65-D67 PolarHBondContact O-N 3.26Å; D67-Y71 HydrophobicContact CB-CD2 3.78Å; D67-Y71 HydrophobicContact CB-CE2 3.29Å; D67-Y71 WeakPolarHBondContact OD1-CE2 3.34Å; D67-Y71 PolarHBondContact OD1-OH 3.43Å; D67-Y71 VanDerWaalsContact OD1-OH 3.11Å; D67-Y71 WeakPolarHBondContact OD2-CE2 3.3Å; D67-Y71 PolarHBondContact OD2-OH 3.05Å
68	S	54.4	Low	58.9	Low	112 Å²	112	140.9 Å²	140.9	78%	0.783	68%	0.677	S	S	*	*	S	Bend	trans	-156.1	-30.5	154.4	-76.4	0	0	0	0	113.1
69	E	54.5	Low	60.7	Low	172 Å²	172	134.3 Å²	134.3	80%	0.804	65%	0.649	S	S	*	*	S	Bend	trans	-111.3	-32.1	-176.2	-49.7	-132.7	-166.5	0	0	112.5	Y71 G72	E69-Y71 VanDerWaalsContact C-N 3.32Å; E69-Y71 PolarHBondContact O-N 2.68Å; E69-G72 PolarHBondContact O-N 3.34Å
70	E	55.1	Low	62.3	Low	113 Å²	113	133 Å²	133	53%	0.528	64%	0.638	S	S	.	*	H	α-helix	trans	-65.6	-29.8	179.3	-167.6	170.1	-179	0	0	113.4	G72 E73 D74	E70-G72 VanDerWaalsContact C-N 3.3Å; E70-G72 PolarHBondContact O-N 2.79Å; E70-E73 PolarHBondContact O-N 3.4Å; E70-D74 PolarHBondContact O-N 3.37Å; E70-D74 VanDerWaalsContact O-N 3.17Å
71	Y	61	Low	64.2	Low	139 Å²	139	125.4 Å²	125.4	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-66.4	-27.6	178.9	-83.7	-52.8	0	0	0	114.9	D67 E69 K75	D67-Y71 HydrophobicContact CB-CD2 3.78Å; D67-Y71 HydrophobicContact CB-CE2 3.29Å; D67-Y71 WeakPolarHBondContact OD1-CE2 3.34Å; D67-Y71 PolarHBondContact OD1-OH 3.43Å; D67-Y71 VanDerWaalsContact OD1-OH 3.11Å; D67-Y71 WeakPolarHBondContact OD2-CE2 3.3Å; D67-Y71 PolarHBondContact OD2-OH 3.05Å; E69-Y71 VanDerWaalsContact C-N 3.32Å; E69-Y71 PolarHBondContact O-N 2.68Å; Y71-K75 WeakPolarHBondContact O-CB 3.37Å; Y71-K75 PolarHBondContact O-N 3.39Å
72	G	62.9	Low	66.1	Low	40 Å²	40	122.7 Å²	122.7	41%	0.412	59%	0.593	S	S	.	*	H	α-helix	trans	-71.3	-50.6	178.5	0	0	0	0	0	111	E69 E70 D74 K75 E76	E69-G72 PolarHBondContact O-N 3.34Å; E70-G72 VanDerWaalsContact C-N 3.3Å; E70-G72 PolarHBondContact O-N 2.79Å; G72-D74 PolarHBondContact O-N 3.09Å; G72-K75 WeakPolarHBondContact O-CB 3.32Å; G72-K75 PolarHBondContact O-N 3.26Å; G72-E76 PolarHBondContact O-N 3.24Å; G72-E76 VanDerWaalsContact O-N 3.13Å
73	E	70.6	Confident	68	Low	145 Å²	145	118.1 Å²	118.1	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-64.7	-39.3	-177.9	-61.1	-171.5	161.5	0	0	112.1	E70 K75 E76 R77	E70-E73 PolarHBondContact O-N 3.4Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.84Å; E73-E76 PolarHBondContact O-N 3.41Å; E73-R77 VanDerWaalsContact O-CB 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.01Å
74	D	76.6	Confident	69.7	Low	72 Å²	72	117.9 Å²	117.9	39%	0.385	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-38.4	175.8	-92.2	-14.9	0	0	0	113.1	E70 G72 R78	E70-D74 PolarHBondContact O-N 3.37Å; E70-D74 VanDerWaalsContact O-N 3.17Å; G72-D74 PolarHBondContact O-N 3.09Å; D74-R78 VanDerWaalsContact O-CB 3.27Å; D74-R78 WeakPolarHBondContact O-CB 3.11Å; D74-R78 PolarHBondContact O-N 3.08Å
75	K	79.2	Confident	71.4	Confident	159 Å²	159	111.7 Å²	111.7	69%	0.691	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-41.9	177	-173.2	179.8	177.4	-174.8	0	110.5	Y71 G72 E73 E79	Y71-K75 WeakPolarHBondContact O-CB 3.37Å; Y71-K75 PolarHBondContact O-N 3.39Å; G72-K75 WeakPolarHBondContact O-CB 3.32Å; G72-K75 PolarHBondContact O-N 3.26Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.84Å; K75-E79 WeakPolarHBondContact O-CB 3.32Å; K75-E79 PolarHBondContact O-N 3.12Å
76	E	79.2	Confident	73.4	Confident	132 Å²	132	110.8 Å²	110.8	62%	0.617	53%	0.531	S	S	*	.	H	α-helix	trans	-68.1	-41.7	176.2	-69.4	-174.2	-175.8	0	0	112.6	G72 E73 E79 R80	G72-E76 PolarHBondContact O-N 3.24Å; G72-E76 VanDerWaalsContact O-N 3.13Å; E73-E76 PolarHBondContact O-N 3.41Å; E76-E79 PolarHBondContact O-N 3.41Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.3Å
77	R	83.1	Confident	75.4	Confident	154 Å²	154	110 Å²	110	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-60.4	-46.9	175.3	-170.8	-175.2	-177.4	-64	-5.7	110.8	E73 E79 R80 D81	E73-R77 VanDerWaalsContact O-CB 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.01Å; R77-E79 VanDerWaalsContact C-N 3.32Å; R77-E79 PolarHBondContact O-N 3.45Å; R77-R80 WeakPolarHBondContact O-CB 3.27Å; R77-R80 PolarHBondContact O-N 3.5Å; R77-D81 IonicContact CZ-OD2 2.76Å; R77-D81 IonicContact NH1-OD2 3.61Å; R77-D81 PolarHBondContact NH1-OD2 3.48Å; R77-D81 PolarHBondContact O-N 2.84Å
78	R	81.4	Confident	77.3	Confident	179 Å²	179	109.5 Å²	109.5	68%	0.675	53%	0.527	S	S	*	.	H	α-helix	trans	-63.5	-37.9	177.1	-170.6	178.1	-63.6	143.9	5.5	112.1	D74 D81 R82	D74-R78 VanDerWaalsContact O-CB 3.27Å; D74-R78 WeakPolarHBondContact O-CB 3.11Å; D74-R78 PolarHBondContact O-N 3.08Å; R78-D81 PolarHBondContact O-N 3.44Å; R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.03Å
79	E	84.9	Confident	78.9	Confident	56 Å²	56	111.5 Å²	111.5	26%	0.262	52%	0.517	S	S	.	.	H	α-helix	trans	-69.2	-38	175.7	178.8	55	-157.5	0	0	111.8	K75 E76 R77 R82 R83	K75-E79 WeakPolarHBondContact O-CB 3.32Å; K75-E79 PolarHBondContact O-N 3.12Å; E76-E79 PolarHBondContact O-N 3.41Å; R77-E79 VanDerWaalsContact C-N 3.32Å; R77-E79 PolarHBondContact O-N 3.45Å; E79-R82 WeakPolarHBondContact O-CB 3.31Å; E79-R82 PolarHBondContact O-N 3.4Å; E79-R82 IonicContact OE1-CZ 3.72Å; E79-R82 IonicContact OE1-NE 3.47Å; E79-R82 PolarHBondContact OE1-NE 2.88Å; E79-R82 IonicContact OE1-NH2 3.83Å; E79-R82 PolarHBondContact OE1-NH2 3.05Å; E79-R82 IonicContact OE2-CZ 2.63Å; E79-R82 IonicContact OE2-NE 3.52Å; E79-R82 PolarHBondContact OE2-NE 2.62Å; E79-R82 IonicContact OE2-NH2 2.84Å; E79-R82 PolarHBondContact OE2-NH2 2.97Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.41Å; E79-R83 PolarHBondContact O-N 3.19Å; E79-R83 IonicContact OE1-CZ 3.76Å; E79-R83 IonicContact OE1-NE 3.7Å; E79-R83 PolarHBondContact OE1-NE 2.96Å; E79-R83 IonicContact OE1-NH2 2.93Å
80	R	83.7	Confident	80.5	Confident	178 Å²	178	106.7 Å²	106.7	67%	0.672	50%	0.495	S	S	*	.	H	α-helix	trans	-62.7	-43.9	172.4	-168.5	-176.4	-62.6	-179.7	2.1	111.4	E76 R77 R82 R83 S84	E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.3Å; R77-R80 WeakPolarHBondContact O-CB 3.27Å; R77-R80 PolarHBondContact O-N 3.5Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R80-R83 PolarHBondContact O-N 2.92Å; R80-S84 WeakPolarHBondContact O-CB 3.49Å; R80-S84 PolarHBondContact O-N 2.91Å; R80-S84 PolarHBondContact O-OG 2.99Å
81	D	86.3	Confident	82.2	Confident	74 Å²	74	110 Å²	110	40%	0.396	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.2	-72.9	-12	0	0	0	111.2	R77 R78 R83 S84 A85	R77-D81 IonicContact CZ-OD2 2.76Å; R77-D81 IonicContact NH1-OD2 3.61Å; R77-D81 PolarHBondContact NH1-OD2 3.48Å; R77-D81 PolarHBondContact O-N 2.84Å; R78-D81 PolarHBondContact O-N 3.44Å; D81-R83 PolarHBondContact O-N 3.23Å; D81-S84 WeakPolarHBondContact CA-OG 3.23Å; D81-S84 PolarHBondContact O-N 2.8Å; D81-S84 PolarHBondContact O-OG 3.41Å; D81-A85 WeakPolarHBondContact O-CB 3.24Å; D81-A85 PolarHBondContact O-N 3.06Å
82	R	88	Confident	83.6	Confident	105 Å²	105	106.3 Å²	106.3	40%	0.396	50%	0.495	S	S	.	.	H	α-helix	trans	-61.4	-44.6	174.5	-168.4	-170.5	71.6	84.6	-0.3	112	R78 E79 R80 N86	R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.03Å; E79-R82 WeakPolarHBondContact O-CB 3.31Å; E79-R82 PolarHBondContact O-N 3.4Å; E79-R82 IonicContact OE1-CZ 3.72Å; E79-R82 IonicContact OE1-NE 3.47Å; E79-R82 PolarHBondContact OE1-NE 2.88Å; E79-R82 IonicContact OE1-NH2 3.83Å; E79-R82 PolarHBondContact OE1-NH2 3.05Å; E79-R82 IonicContact OE2-CZ 2.63Å; E79-R82 IonicContact OE2-NE 3.52Å; E79-R82 PolarHBondContact OE2-NE 2.62Å; E79-R82 IonicContact OE2-NH2 2.84Å; E79-R82 PolarHBondContact OE2-NH2 2.97Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R82-N86 PolarHBondContact O-N 3.31Å; R82-N86 VanDerWaalsContact O-N 3.11Å
83	R	85.5	Confident	84.8	Confident	150 Å²	150	107.7 Å²	107.7	57%	0.566	49%	0.487	S	S	*	.	H	α-helix	trans	-66.1	-45.4	177.3	-71.2	174.8	-171.2	-173.8	1.4	111.5	E79 R80 D81 A85 N86 N87	E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.41Å; E79-R83 PolarHBondContact O-N 3.19Å; E79-R83 IonicContact OE1-CZ 3.76Å; E79-R83 IonicContact OE1-NE 3.7Å; E79-R83 PolarHBondContact OE1-NE 2.96Å; E79-R83 IonicContact OE1-NH2 2.93Å; R80-R83 PolarHBondContact O-N 2.92Å; D81-R83 PolarHBondContact O-N 3.23Å; R83-A85 PolarHBondContact O-N 3.36Å; R83-N86 PolarHBondContact O-N 3.09Å; R83-N87 WeakPolarHBondContact O-CB 3.19Å; R83-N87 VanDerWaalsContact O-CG 3.29Å; R83-N87 PolarHBondContact O-N 3.36Å; R83-N87 PolarHBondContact O-ND2 3.39Å
84	S	82.7	Confident	85.6	Confident	63 Å²	63	103.4 Å²	103.4	44%	0.441	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-42.5	179.7	70.7	0	0	0	0	111.7	R80 D81 N86 N87 A88	R80-S84 WeakPolarHBondContact O-CB 3.49Å; R80-S84 PolarHBondContact O-N 2.91Å; R80-S84 PolarHBondContact O-OG 2.99Å; D81-S84 WeakPolarHBondContact CA-OG 3.23Å; D81-S84 PolarHBondContact O-N 2.8Å; D81-S84 PolarHBondContact O-OG 3.41Å; S84-N86 VanDerWaalsContact C-N 3.34Å; S84-N86 PolarHBondContact O-N 3.24Å; S84-N87 PolarHBondContact O-N 3.2Å; S84-A88 WeakPolarHBondContact O-CB 3.33Å; S84-A88 PolarHBondContact O-N 3.29Å
85	A	84.4	Confident	86.3	Confident	41 Å²	41	107 Å²	107	34%	0.339	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-39.6	173.8	0	0	0	0	0	112.2	D81 R83 A88 R89	D81-A85 WeakPolarHBondContact O-CB 3.24Å; D81-A85 PolarHBondContact O-N 3.06Å; R83-A85 PolarHBondContact O-N 3.36Å; A85-A88 PolarHBondContact O-N 3.04Å; A85-R89 WeakPolarHBondContact O-CG 3.29Å; A85-R89 PolarHBondContact O-N 2.89Å; A85-R89 VanDerWaalsContact O-N 3.07Å
86	N	90.2	Very high	86.7	Confident	71 Å²	71	102.7 Å²	102.7	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-66.3	-46.1	175.9	-160.9	24.5	0	0	0	112.1	R82 R83 S84 A88 R89 E90	R82-N86 PolarHBondContact O-N 3.31Å; R82-N86 VanDerWaalsContact O-N 3.11Å; R83-N86 PolarHBondContact O-N 3.09Å; S84-N86 VanDerWaalsContact C-N 3.34Å; S84-N86 PolarHBondContact O-N 3.24Å; N86-A88 VanDerWaalsContact C-N 3.27Å; N86-A88 PolarHBondContact O-N 2.81Å; N86-R89 PolarHBondContact O-N 3.35Å; N86-E90 WeakPolarHBondContact O-CB 3.42Å; N86-E90 PolarHBondContact O-N 2.88Å
87	N	89.3	Confident	87.1	Confident	93 Å²	93	98 Å²	98	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-59.2	-38.9	175.4	-70.8	-25.4	0	0	0	111.8	R83 S84 E90 R91	R83-N87 WeakPolarHBondContact O-CB 3.19Å; R83-N87 VanDerWaalsContact O-CG 3.29Å; R83-N87 PolarHBondContact O-N 3.36Å; R83-N87 PolarHBondContact O-ND2 3.39Å; S84-N87 PolarHBondContact O-N 3.2Å; N87-E90 PolarHBondContact O-N 3.41Å; N87-R91 VanDerWaalsContact O-CG 3.29Å; N87-R91 WeakPolarHBondContact O-CG 3.4Å; N87-R91 PolarHBondContact O-N 3.43Å
88	A	89.4	Confident	87.5	Confident	51 Å²	51	93.2 Å²	93.2	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-45.4	175.8	0	0	0	0	0	112.1	S84 A85 N86 E90 R91 V92	S84-A88 WeakPolarHBondContact O-CB 3.33Å; S84-A88 PolarHBondContact O-N 3.29Å; A85-A88 PolarHBondContact O-N 3.04Å; N86-A88 VanDerWaalsContact C-N 3.27Å; N86-A88 PolarHBondContact O-N 2.81Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 3.36Å; A88-R91 WeakPolarHBondContact O-CB 3.29Å; A88-R91 PolarHBondContact O-N 3.12Å; A88-V92 PolarHBondContact O-N 2.97Å
89	R	88.9	Confident	87.9	Confident	154 Å²	154	90.1 Å²	90.1	58%	0.581	42%	0.422	S	S	*	.	H	α-helix	trans	-61.5	-43.7	174.9	-72	-173.4	-64.9	-111.1	1.6	111.7	A85 N86 R91 V92 R93	A85-R89 WeakPolarHBondContact O-CG 3.29Å; A85-R89 PolarHBondContact O-N 2.89Å; A85-R89 VanDerWaalsContact O-N 3.07Å; N86-R89 PolarHBondContact O-N 3.35Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 2.89Å; R89-V92 WeakPolarHBondContact O-CB 3.48Å; R89-V92 PolarHBondContact O-N 3.13Å; R89-V92 VanDerWaalsContact O-N 3.07Å; R89-R93 PolarHBondContact O-N 2.87Å
90	E	88.3	Confident	88.1	Confident	71 Å²	71	88.3 Å²	88.3	33%	0.332	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-36.5	-179.4	-173.9	63.8	175.5	0	0	112	N86 N87 A88 V92 R93 V94	N86-E90 WeakPolarHBondContact O-CB 3.42Å; N86-E90 PolarHBondContact O-N 2.88Å; N87-E90 PolarHBondContact O-N 3.41Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 3.36Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.33Å; E90-R93 VanDerWaalsContact CD-NE 3.32Å; E90-R93 PolarHBondContact O-N 3.44Å; E90-R93 IonicContact OE1-CZ 3.32Å; E90-R93 IonicContact OE1-NE 3.24Å; E90-R93 PolarHBondContact OE1-NE 2.9Å; E90-R93 IonicContact OE1-NH2 3.45Å; E90-R93 PolarHBondContact OE1-NH2 3.22Å; E90-R93 WeakPolarHBondContact OE2-CD 3.31Å; E90-R93 IonicContact OE2-CZ 3.63Å; E90-R93 IonicContact OE2-NE 2.73Å; E90-R93 PolarHBondContact OE2-NE 3.44Å; E90-R93 IonicContact OE2-NH2 3.43Å; E90-V94 HydrophobicContact CG-CG2 4.45Å; E90-V94 WeakPolarHBondContact O-CB 3.3Å; E90-V94 VanDerWaalsContact O-CG2 3.32Å; E90-V94 WeakPolarHBondContact O-CG2 3.26Å; E90-V94 PolarHBondContact O-N 3.38Å
91	R	91.2	Very high	88.3	Confident	183 Å²	183	81.8 Å²	81.8	69%	0.691	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-39.6	170.7	-75.7	175.4	-179.8	166.1	0.2	112.5	N87 A88 R89 R95	N87-R91 VanDerWaalsContact O-CG 3.29Å; N87-R91 WeakPolarHBondContact O-CG 3.4Å; N87-R91 PolarHBondContact O-N 3.43Å; A88-R91 WeakPolarHBondContact O-CB 3.29Å; A88-R91 PolarHBondContact O-N 3.12Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 2.89Å; R91-R95 WeakPolarHBondContact O-CB 3.43Å; R91-R95 VanDerWaalsContact O-CG 3.26Å; R91-R95 WeakPolarHBondContact O-CG 3.18Å; R91-R95 PolarHBondContact O-N 3.47Å; R91-R95 PolarHBondContact O-NE 3.43Å
92	V	90.6	Very high	88.4	Confident	62 Å²	62	85.5 Å²	85.5	38%	0.376	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-50	174	179.2	0	0	0	0	110.1	A88 R89 E90 V94 R95 D96	A88-V92 PolarHBondContact O-N 2.97Å; R89-V92 WeakPolarHBondContact O-CB 3.48Å; R89-V92 PolarHBondContact O-N 3.13Å; R89-V92 VanDerWaalsContact O-N 3.07Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.33Å; V92-V94 VanDerWaalsContact C-N 3.34Å; V92-V94 PolarHBondContact O-N 2.87Å; V92-R95 WeakPolarHBondContact O-CB 3.22Å; V92-R95 PolarHBondContact O-N 3.43Å; V92-R95 VanDerWaalsContact O-N 3.1Å; V92-D96 PolarHBondContact O-N 3.31Å
93	R	88.5	Confident	88.4	Confident	68 Å²	68	84 Å²	84	26%	0.257	40%	0.403	S	S	.	.	H	α-helix	trans	-57	-45.6	179.4	-168.6	-172.4	73.9	85.8	2.8	112.5	R89 E90 D96 I97	R89-R93 PolarHBondContact O-N 2.87Å; E90-R93 VanDerWaalsContact CD-NE 3.32Å; E90-R93 PolarHBondContact O-N 3.44Å; E90-R93 IonicContact OE1-CZ 3.32Å; E90-R93 IonicContact OE1-NE 3.24Å; E90-R93 PolarHBondContact OE1-NE 2.9Å; E90-R93 IonicContact OE1-NH2 3.45Å; E90-R93 PolarHBondContact OE1-NH2 3.22Å; E90-R93 WeakPolarHBondContact OE2-CD 3.31Å; E90-R93 IonicContact OE2-CZ 3.63Å; E90-R93 IonicContact OE2-NE 2.73Å; E90-R93 PolarHBondContact OE2-NE 3.44Å; E90-R93 IonicContact OE2-NH2 3.43Å; R93-D96 PolarHBondContact O-N 2.94Å; R93-I97 HydrophobicContact CG-CD1 4.07Å; R93-I97 VanDerWaalsContact O-CG1 3.31Å; R93-I97 WeakPolarHBondContact O-CG1 3.5Å; R93-I97 PolarHBondContact O-N 3.15Å
94	V	86.8	Confident	88.5	Confident	56 Å²	56	78 Å²	78	34%	0.339	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-38.3	178.6	172.5	0	0	0	0	111.2	E90 V92 N98	E90-V94 HydrophobicContact CG-CG2 4.45Å; E90-V94 WeakPolarHBondContact O-CB 3.3Å; E90-V94 VanDerWaalsContact O-CG2 3.32Å; E90-V94 WeakPolarHBondContact O-CG2 3.26Å; E90-V94 PolarHBondContact O-N 3.38Å; V92-V94 VanDerWaalsContact C-N 3.34Å; V92-V94 PolarHBondContact O-N 2.87Å; V94-N98 WeakPolarHBondContact O-CB 3.37Å; V94-N98 PolarHBondContact O-N 3.48Å; V94-N98 PolarHBondContact O-ND2 3.07Å
95	R	91.7	Very high	88.8	Confident	146 Å²	146	75 Å²	75	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-59.8	-50.8	172.5	-76.6	-174.6	-65.4	172.8	1.6	111	R91 V92 I97 N98 E99	R91-R95 WeakPolarHBondContact O-CB 3.43Å; R91-R95 VanDerWaalsContact O-CG 3.26Å; R91-R95 WeakPolarHBondContact O-CG 3.18Å; R91-R95 PolarHBondContact O-N 3.47Å; R91-R95 PolarHBondContact O-NE 3.43Å; V92-R95 WeakPolarHBondContact O-CB 3.22Å; V92-R95 PolarHBondContact O-N 3.43Å; V92-R95 VanDerWaalsContact O-N 3.1Å; R95-I97 VanDerWaalsContact C-N 3.32Å; R95-I97 PolarHBondContact O-N 3.28Å; R95-N98 PolarHBondContact O-N 2.99Å; R95-N98 VanDerWaalsContact O-N 3.13Å; R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 2.95Å
96	D	87.6	Confident	88.9	Confident	69 Å²	69	79.4 Å²	79.4	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-41	-179.7	-63.5	-12.1	0	0	0	112.4	V92 R93 A100 R158	V92-D96 PolarHBondContact O-N 3.31Å; R93-D96 PolarHBondContact O-N 2.94Å; D96-A100 PolarHBondContact O-N 2.95Å; D96-R158 PolarHBondContact O-NH2 3.23Å; D96-R158 VanDerWaalsContact O-NH2 3.09Å
97	I	87.1	Confident	88.7	Confident	33 Å²	33	77.1 Å²	77.1	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-46.9	175.2	-71.9	167.6	0	0	0	110.7	R93 R95 E99 A100 F101 Q162	R93-I97 HydrophobicContact CG-CD1 4.07Å; R93-I97 VanDerWaalsContact O-CG1 3.31Å; R93-I97 WeakPolarHBondContact O-CG1 3.5Å; R93-I97 PolarHBondContact O-N 3.15Å; R95-I97 VanDerWaalsContact C-N 3.32Å; R95-I97 PolarHBondContact O-N 3.28Å; I97-E99 VanDerWaalsContact C-N 3.29Å; I97-E99 PolarHBondContact O-N 3.41Å; I97-A100 VanDerWaalsContact O-CB 3.31Å; I97-A100 WeakPolarHBondContact O-CB 3.4Å; I97-A100 PolarHBondContact O-N 2.86Å; I97-A100 VanDerWaalsContact O-N 3.15Å; I97-F101 HydrophobicContact CG2-CD2 3.79Å; I97-F101 HydrophobicContact CG2-CE2 3.84Å; I97-F101 WeakPolarHBondContact O-CD2 3.33Å; I97-F101 PolarHBondContact O-N 3.48Å; I97-Q162 VanDerWaalsContact CG1-NE2 3.33Å
98	N	91.6	Very high	88.6	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-37.6	179.9	-70.2	-19.7	0	0	0	111.5	V94 R95 F101 K102 K120	V94-N98 WeakPolarHBondContact O-CB 3.37Å; V94-N98 PolarHBondContact O-N 3.48Å; V94-N98 PolarHBondContact O-ND2 3.07Å; R95-N98 PolarHBondContact O-N 2.99Å; R95-N98 VanDerWaalsContact O-N 3.13Å; N98-F101 PolarHBondContact O-N 3.34Å; N98-K102 WeakPolarHBondContact O-CG 3.44Å; N98-K102 PolarHBondContact O-N 3.05Å; N98-K120 WeakPolarHBondContact OD1-CE 3.12Å; N98-K120 PolarHBondContact OD1-NZ 2.9Å
99	E	89.8	Confident	88.5	Confident	113 Å²	113	72 Å²	72	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-41	172.1	-72.4	176.1	-167.3	0	0	111.9	R95 I97 F101 K102 E103	R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 2.95Å; I97-E99 VanDerWaalsContact C-N 3.29Å; I97-E99 PolarHBondContact O-N 3.41Å; E99-F101 VanDerWaalsContact C-N 3.32Å; E99-F101 PolarHBondContact O-N 3.12Å; E99-K102 PolarHBondContact O-N 2.93Å; E99-E103 PolarHBondContact O-N 3.09Å
100	A	88.1	Confident	88.4	Confident	18 Å²	18	70.3 Å²	70.3	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-42.9	172.1	0	0	0	0	0	112.4	D96 I97 E103 L104	D96-A100 PolarHBondContact O-N 2.95Å; I97-A100 VanDerWaalsContact O-CB 3.31Å; I97-A100 WeakPolarHBondContact O-CB 3.4Å; I97-A100 PolarHBondContact O-N 2.86Å; I97-A100 VanDerWaalsContact O-N 3.15Å; A100-E103 PolarHBondContact O-N 3.21Å; A100-L104 WeakPolarHBondContact O-CB 3.38Å; A100-L104 PolarHBondContact O-N 3.15Å
101	F	89	Confident	88.1	Confident	42 Å²	42	70.3 Å²	70.3	18%	0.184	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-41.8	177.1	-92.1	-78.6	0	0	0	111.9	I97 N98 E99 E103 L104 G105 K120 I123 L124	I97-F101 HydrophobicContact CG2-CD2 3.79Å; I97-F101 HydrophobicContact CG2-CE2 3.84Å; I97-F101 WeakPolarHBondContact O-CD2 3.33Å; I97-F101 PolarHBondContact O-N 3.48Å; N98-F101 PolarHBondContact O-N 3.34Å; E99-F101 VanDerWaalsContact C-N 3.32Å; E99-F101 PolarHBondContact O-N 3.12Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 3.42Å; F101-L104 PolarHBondContact O-N 3.4Å; F101-G105 PolarHBondContact O-N 3Å; F101-K120 HydrophobicContact CD1-CB 4.18Å; F101-K120 HydrophobicContact CD1-CG 4.12Å; F101-K120 HydrophobicContact CD2-CD 4.33Å; F101-K120 HydrophobicContact CD2-CG 4.42Å; F101-K120 HydrophobicContact CE1-CB 3.89Å; F101-K120 HydrophobicContact CE1-CG 4.22Å; F101-K120 WeakPolarHBondContact CE1-O 3.45Å; F101-K120 HydrophobicContact CE2-CD 4.27Å; F101-K120 HydrophobicContact CG-CG 4.22Å; F101-K120 HydrophobicContact CZ-CB 4.21Å; F101-K120 HydrophobicContact CZ-CD 4.47Å; F101-K120 HydrophobicContact CZ-CG 4.43Å; F101-I123 HydrophobicContact CB-CD1 4.32Å; F101-I123 HydrophobicContact CD1-CB 4.16Å; F101-I123 HydrophobicContact CD1-CD1 4.01Å; F101-I123 HydrophobicContact CD1-CG2 4.1Å; F101-I123 WeakPolarHBondContact O-CD1 3.2Å; F101-L124 HydrophobicContact CE1-CD2 3.92Å; F101-L124 HydrophobicContact CE1-CG 3.99Å; F101-L124 HydrophobicContact CZ-CD2 4.15Å; F101-L124 HydrophobicContact CZ-CG 4.38Å
102	K	88.2	Confident	87.7	Confident	151 Å²	151	65.1 Å²	65.1	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-43.9	176.3	-72.5	175.8	-179.9	-178.4	0	111.8	N98 E99 R106	N98-K102 WeakPolarHBondContact O-CG 3.44Å; N98-K102 PolarHBondContact O-N 3.05Å; E99-K102 PolarHBondContact O-N 2.93Å; K102-R106 PolarHBondContact O-N 3.33Å
103	E	87.3	Confident	87	Confident	74 Å²	74	69.1 Å²	69.1	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-50.8	176.7	-169.7	58.9	-139.8	0	0	111.6	E99 A100 F101 G105 R106 M107	E99-E103 PolarHBondContact O-N 3.09Å; A100-E103 PolarHBondContact O-N 3.21Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 3.42Å; E103-G105 VanDerWaalsContact C-N 3.29Å; E103-G105 PolarHBondContact O-N 3.43Å; E103-R106 PolarHBondContact O-N 3.03Å; E103-R106 IonicContact OE1-NH1 3.05Å; E103-R106 PolarHBondContact OE1-NH1 2.8Å; E103-R106 IonicContact OE2-CZ 3.54Å; E103-R106 IonicContact OE2-NH1 2.62Å; E103-R106 PolarHBondContact OE2-NH1 3.37Å; E103-R106 IonicContact OE2-NH2 3.65Å; E103-M107 WeakPolarHBondContact O-CG 3.35Å; E103-M107 PolarHBondContact O-N 3.06Å
104	L	87.5	Confident	86.3	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-42.6	178.2	-178.5	61.7	0	0	0	111.6	A100 F101 M107 C108 I123 A127 F151	A100-L104 WeakPolarHBondContact O-CB 3.38Å; A100-L104 PolarHBondContact O-N 3.15Å; F101-L104 PolarHBondContact O-N 3.4Å; L104-M107 PolarHBondContact O-N 2.86Å; L104-C108 WeakPolarHBondContact O-CB 3.42Å; L104-C108 PolarHBondContact O-N 2.89Å; L104-C108 PolarHBondContact O-SG 3.24Å; L104-I123 HydrophobicContact CB-CG2 4.01Å; L104-I123 HydrophobicContact CD2-CG2 3.7Å; L104-I123 HydrophobicContact CG-CG2 3.61Å; L104-A127 HydrophobicContact CD1-CB 4.09Å; L104-A127 HydrophobicContact CD2-CB 4.22Å; L104-A127 HydrophobicContact CG-CB 4.34Å; L104-F151 HydrophobicContact CD1-CE1 4.37Å; L104-F151 HydrophobicContact CD1-CE2 3.99Å; L104-F151 HydrophobicContact CD1-CZ 3.52Å
105	G	89	Confident	85.4	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-45.4	176.6	0	0	0	0	0	112.5	F101 E103 C108 S109 Q118	F101-G105 PolarHBondContact O-N 3Å; E103-G105 VanDerWaalsContact C-N 3.29Å; E103-G105 PolarHBondContact O-N 3.43Å; G105-C108 PolarHBondContact O-N 2.98Å; G105-S109 WeakPolarHBondContact O-CB 3.27Å; G105-S109 PolarHBondContact O-N 2.81Å; G105-Q118 PolarHBondContact O-NE2 3.33Å; G105-Q118 PolarHBondContact O-OE1 3.34Å; G105-Q118 VanDerWaalsContact O-OE1 3.09Å
106	R	87.4	Confident	84.6	Confident	133 Å²	133	75.9 Å²	75.9	50%	0.502	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-46.8	174.7	-161.7	-171	-52	114.4	3.5	111.5	K102 E103 C108 S109 M110	K102-R106 PolarHBondContact O-N 3.33Å; E103-R106 PolarHBondContact O-N 3.03Å; E103-R106 IonicContact OE1-NH1 3.05Å; E103-R106 PolarHBondContact OE1-NH1 2.8Å; E103-R106 IonicContact OE2-CZ 3.54Å; E103-R106 IonicContact OE2-NH1 2.62Å; E103-R106 PolarHBondContact OE2-NH1 3.37Å; E103-R106 IonicContact OE2-NH2 3.65Å; R106-C108 VanDerWaalsContact C-N 3.33Å; R106-C108 PolarHBondContact O-N 2.94Å; R106-S109 PolarHBondContact O-N 3.45Å; R106-M110 WeakPolarHBondContact O-CG 3.49Å; R106-M110 PolarHBondContact O-N 3.41Å
107	M	86	Confident	84.2	Confident	24 Å²	24	79.7 Å²	79.7	12%	0.118	39%	0.394	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.7	-66.2	-174.8	86	0	0	112.1	E103 L104 M110 H111 F151 L154	E103-M107 WeakPolarHBondContact O-CG 3.35Å; E103-M107 PolarHBondContact O-N 3.06Å; L104-M107 PolarHBondContact O-N 2.86Å; M107-M110 HydrophobicContact CG-CE 4.4Å; M107-H111 PolarHBondContact O-N 3.09Å; M107-H111 PolarHBondContact O-ND1 3.13Å; M107-F151 HydrophobicContact CB-CD2 3.98Å; M107-F151 HydrophobicContact CB-CE2 3.68Å; M107-F151 HydrophobicContact CE-CB 4.19Å; M107-F151 HydrophobicContact CE-CD2 3.55Å; M107-F151 HydrophobicContact CE-CE2 4.35Å; M107-F151 HydrophobicContact CE-CG 4.25Å; M107-F151 HydrophobicContact SD-CD2 4.02Å; M107-F151 HydrophobicContact SD-CE2 4.26Å; M107-L154 HydrophobicContact SD-CD2 4.18Å
108	C	87.7	Confident	84	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-43.4	177.8	-65.1	0	0	0	0	112.2	L104 G105 R106 M110 H111 L112 Q126 A127	L104-C108 WeakPolarHBondContact O-CB 3.42Å; L104-C108 PolarHBondContact O-N 2.89Å; L104-C108 PolarHBondContact O-SG 3.24Å; G105-C108 PolarHBondContact O-N 2.98Å; R106-C108 VanDerWaalsContact C-N 3.33Å; R106-C108 PolarHBondContact O-N 2.94Å; C108-M110 VanDerWaalsContact C-N 3.3Å; C108-M110 PolarHBondContact O-N 3.42Å; C108-H111 PolarHBondContact O-N 3.36Å; C108-H111 VanDerWaalsContact O-N 3.09Å; C108-L112 PolarHBondContact O-N 3.34Å; C108-Q126 HydrophobicContact CB-CB 3.93Å; C108-A127 WeakPolarHBondContact SG-CA 3.48Å
109	S	87	Confident	84	Confident	36 Å²	36	82.2 Å²	82.2	25%	0.252	41%	0.41	S	S	.	.	H	α-helix	trans	-58.8	-41.6	178.2	174.9	0	0	0	0	111.4	G105 R106 H111 L112 N113 A114	G105-S109 WeakPolarHBondContact O-CB 3.27Å; G105-S109 PolarHBondContact O-N 2.81Å; R106-S109 PolarHBondContact O-N 3.45Å; S109-H111 VanDerWaalsContact C-N 3.31Å; S109-H111 PolarHBondContact O-N 2.93Å; S109-L112 PolarHBondContact O-N 3.1Å; S109-N113 VanDerWaalsContact O-CA 3.29Å; S109-N113 WeakPolarHBondContact O-CA 3.4Å; S109-N113 PolarHBondContact O-N 3.22Å; S109-A114 WeakPolarHBondContact CB-O 3.4Å; S109-A114 PolarHBondContact O-N 3.49Å; S109-A114 PolarHBondContact OG-O 2.87Å
110	M	85.8	Confident	83.9	Confident	118 Å²	118	81.8 Å²	81.8	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-63.2	-31.8	175.1	-70.6	-173.2	-62.6	0	0	113.8	R106 M107 C108	R106-M110 WeakPolarHBondContact O-CG 3.49Å; R106-M110 PolarHBondContact O-N 3.41Å; M107-M110 HydrophobicContact CG-CE 4.4Å; C108-M110 VanDerWaalsContact C-N 3.3Å; C108-M110 PolarHBondContact O-N 3.42Å
111	H	82.6	Confident	84	Confident	71 Å²	71	86.2 Å²	86.2	33%	0.329	43%	0.427	S	S	.	.	H	α-helix	trans	-86.2	-26.1	-179.4	-74.3	82.4	0	0	0	113.2	M107 C108 S109 V130	M107-H111 PolarHBondContact O-N 3.09Å; M107-H111 PolarHBondContact O-ND1 3.13Å; C108-H111 PolarHBondContact O-N 3.36Å; C108-H111 VanDerWaalsContact O-N 3.09Å; S109-H111 VanDerWaalsContact C-N 3.31Å; S109-H111 PolarHBondContact O-N 2.93Å; H111-V130 HydrophobicContact CB-CB 4.48Å; H111-V130 HydrophobicContact CB-CG1 3.82Å; H111-V130 HydrophobicContact CB-CG2 3.76Å
112	L	83	Confident	84	Confident	75 Å²	75	85.1 Å²	85.1	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-106.8	-2.1	-177	-60.5	178.1	0	0	0	113.5	C108 S109 A114 Q126 V130	C108-L112 PolarHBondContact O-N 3.34Å; S109-L112 PolarHBondContact O-N 3.1Å; L112-A114 HydrophobicContact CB-CB 4.25Å; L112-A114 PolarHBondContact O-N 3.05Å; L112-Q126 HydrophobicContact CD1-CB 3.65Å; L112-Q126 HydrophobicContact CD1-CG 3.64Å; L112-V130 HydrophobicContact CD1-CG2 3.85Å; L112-V130 HydrophobicContact CD2-CG2 3.82Å; L112-V130 HydrophobicContact CG-CG2 3.57Å
113	N	76.4	Confident	84	Confident	145 Å²	145	78.4 Å²	78.4	78%	0.775	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42.3	-169.9	-63.9	-36	0	0	0	112.3	S109	S109-N113 VanDerWaalsContact O-CA 3.29Å; S109-N113 WeakPolarHBondContact O-CA 3.4Å; S109-N113 PolarHBondContact O-N 3.22Å
114	A	72.3	Confident	84.2	Confident	29 Å²	29	78.9 Å²	78.9	24%	0.24	40%	0.403	C	S	.	.			trans	-95.7	106.9	-175.3	0	0	0	0	0	111	S109 L112	S109-A114 WeakPolarHBondContact CB-O 3.4Å; S109-A114 PolarHBondContact O-N 3.49Å; S109-A114 PolarHBondContact OG-O 2.87Å; L112-A114 HydrophobicContact CB-CB 4.25Å; L112-A114 PolarHBondContact O-N 3.05Å
115	E	68.6	Low	84.3	Confident	196 Å²	196	83.6 Å²	83.6	92%	0.916	43%	0.425	S	S	*	.			trans	-89.2	2.6	-179.3	-69.1	-171.9	158.1	0	0	114.6
116	K	74.7	Confident	84.3	Confident	187 Å²	187	85.2 Å²	85.2	81%	0.813	43%	0.432	S	S	*	.	S	Bend	trans	-80.8	146.2	-177.6	-63.8	-176.3	-177.7	176.3	0	111.4	Q118	K116-Q118 WeakPolarHBondContact O-CG 3.47Å; K116-Q118 PolarHBondContact O-N 2.92Å; K116-Q118 VanDerWaalsContact O-N 3.12Å
117	V	78.9	Confident	84.4	Confident	149 Å²	149	79 Å²	79	90%	0.903	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-51.6	118.9	168.1	178.6	0	0	0	0	109.1
118	Q	82.7	Confident	84.5	Confident	48 Å²	48	82.2 Å²	82.2	22%	0.224	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-93.9	126.6	-176.2	-54.2	171.1	-51.9	0	0	110.5	G105 K116 I123 Q126	G105-Q118 PolarHBondContact O-NE2 3.33Å; G105-Q118 PolarHBondContact O-OE1 3.34Å; G105-Q118 VanDerWaalsContact O-OE1 3.09Å; K116-Q118 WeakPolarHBondContact O-CG 3.47Å; K116-Q118 PolarHBondContact O-N 2.92Å; K116-Q118 VanDerWaalsContact O-N 3.12Å; Q118-I123 HydrophobicContact CB-CD1 4.09Å; Q118-I123 HydrophobicContact CB-CG1 3.52Å; Q118-I123 HydrophobicContact CG-CG1 4.37Å; Q118-Q126 VanDerWaalsContact NE2-CD 3.34Å
119	T	91.6	Very high	84.6	Confident	93 Å²	93	85.5 Å²	85.5	57%	0.571	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-76.1	160	166.9	64.9	0	0	0	0	109.9	L121 G122 I123	T119-L121 PolarHBondContact O-N 3.35Å; T119-G122 CarbonylContact O-C 3.6Å; T119-G122 WeakPolarHBondContact O-CA 3.38Å; T119-G122 PolarHBondContact O-N 2.98Å; T119-G122 PolarHBondContact OG1-N 2.74Å; T119-I123 WeakPolarHBondContact O-CG1 3.32Å; T119-I123 PolarHBondContact O-N 3.11Å
120	K	88.7	Confident	84.5	Confident	105 Å²	105	83.9 Å²	83.9	46%	0.457	44%	0.441	S	S	.	.	H	α-helix	trans	-53.3	-42.9	175.2	-70.3	-173.8	177.5	-176.4	0	111.8	N98 F101 I123 L124	N98-K120 WeakPolarHBondContact OD1-CE 3.12Å; N98-K120 PolarHBondContact OD1-NZ 2.9Å; F101-K120 HydrophobicContact CD1-CB 4.18Å; F101-K120 HydrophobicContact CD1-CG 4.12Å; F101-K120 HydrophobicContact CD2-CD 4.33Å; F101-K120 HydrophobicContact CD2-CG 4.42Å; F101-K120 HydrophobicContact CE1-CB 3.89Å; F101-K120 HydrophobicContact CE1-CG 4.22Å; F101-K120 WeakPolarHBondContact CE1-O 3.45Å; F101-K120 HydrophobicContact CE2-CD 4.27Å; F101-K120 HydrophobicContact CG-CG 4.22Å; F101-K120 HydrophobicContact CZ-CB 4.21Å; F101-K120 HydrophobicContact CZ-CD 4.47Å; F101-K120 HydrophobicContact CZ-CG 4.43Å; K120-I123 PolarHBondContact O-N 3.17Å; K120-L124 WeakPolarHBondContact O-CG 3.23Å; K120-L124 PolarHBondContact O-N 3.43Å
121	L	90.2	Very high	84.6	Confident	110 Å²	110	79.9 Å²	79.9	58%	0.576	42%	0.422	S	S	*	.	H	α-helix	trans	-63	-44.5	174.8	-178	60.6	0	0	0	111.8	T119 I123 L124 H125	T119-L121 PolarHBondContact O-N 3.35Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.07Å; L121-L124 WeakPolarHBondContact O-CB 3.17Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L121-H125 PolarHBondContact O-CD2 2.92Å; L121-H125 PolarHBondContact O-N 3.42Å
122	G	89.4	Confident	84.8	Confident	19 Å²	19	79.3 Å²	79.3	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-61.2	-37.7	177.4	0	0	0	0	0	113.5	T119 Q126	T119-G122 CarbonylContact O-C 3.6Å; T119-G122 WeakPolarHBondContact O-CA 3.38Å; T119-G122 PolarHBondContact O-N 2.98Å; T119-G122 PolarHBondContact OG1-N 2.74Å; G122-Q126 WeakPolarHBondContact O-CB 3.26Å; G122-Q126 VanDerWaalsContact O-CG 3.26Å; G122-Q126 WeakPolarHBondContact O-CG 3.46Å; G122-Q126 PolarHBondContact O-N 3.33Å; G122-Q126 PolarHBondContact O-NE2 2.95Å; G122-Q126 VanDerWaalsContact O-NE2 3.13Å
123	I	88.3	Confident	84.8	Confident	11 Å²	11	77.7 Å²	77.7	6%	0.056	42%	0.421	C	S	.	.	H	α-helix	trans	-64	-41.9	174.5	-63.8	168.5	0	0	0	110.3	F101 L104 Q118 T119 K120 L121 Q126 A127	F101-I123 HydrophobicContact CB-CD1 4.32Å; F101-I123 HydrophobicContact CD1-CB 4.16Å; F101-I123 HydrophobicContact CD1-CD1 4.01Å; F101-I123 HydrophobicContact CD1-CG2 4.1Å; F101-I123 WeakPolarHBondContact O-CD1 3.2Å; L104-I123 HydrophobicContact CB-CG2 4.01Å; L104-I123 HydrophobicContact CD2-CG2 3.7Å; L104-I123 HydrophobicContact CG-CG2 3.61Å; Q118-I123 HydrophobicContact CB-CD1 4.09Å; Q118-I123 HydrophobicContact CB-CG1 3.52Å; Q118-I123 HydrophobicContact CG-CG1 4.37Å; T119-I123 WeakPolarHBondContact O-CG1 3.32Å; T119-I123 PolarHBondContact O-N 3.11Å; K120-I123 PolarHBondContact O-N 3.17Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.07Å; I123-Q126 PolarHBondContact O-N 2.88Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.41Å; I123-A127 PolarHBondContact O-N 3.33Å
124	L	91.2	Very high	85	Confident	83 Å²	83	71.5 Å²	71.5	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-46.3	178.2	-65	175.3	0	0	0	111.8	F101 K120 L121 A127 V128	F101-L124 HydrophobicContact CE1-CD2 3.92Å; F101-L124 HydrophobicContact CE1-CG 3.99Å; F101-L124 HydrophobicContact CZ-CD2 4.15Å; F101-L124 HydrophobicContact CZ-CG 4.38Å; K120-L124 WeakPolarHBondContact O-CG 3.23Å; K120-L124 PolarHBondContact O-N 3.43Å; L121-L124 WeakPolarHBondContact O-CB 3.17Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L124-A127 PolarHBondContact O-N 3.49Å; L124-V128 WeakPolarHBondContact O-CG2 3.31Å; L124-V128 PolarHBondContact O-N 2.87Å; L124-V128 VanDerWaalsContact O-N 3.09Å
125	H	89.6	Confident	85.3	Confident	123 Å²	123	74.5 Å²	74.5	57%	0.569	40%	0.397	S	S	*	.	H	α-helix	trans	-61.1	-45.8	176.4	-80.4	-75.5	0	0	0	112.2	L121 A127 V128 S129	L121-H125 PolarHBondContact O-CD2 2.92Å; L121-H125 PolarHBondContact O-N 3.42Å; H125-A127 VanDerWaalsContact C-N 3.35Å; H125-A127 PolarHBondContact O-N 3.46Å; H125-V128 PolarHBondContact O-N 3.37Å; H125-S129 PolarHBondContact O-N 3.27Å; H125-S129 VanDerWaalsContact O-N 3.12Å; H125-S129 PolarHBondContact O-OG 3.03Å
126	Q	88.7	Confident	85.9	Confident	35 Å²	35	70 Å²	70	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-42.2	177.5	-73.9	173.2	69.1	0	0	111.9	C108 L112 Q118 G122 I123 V128 S129 V130	C108-Q126 HydrophobicContact CB-CB 3.93Å; L112-Q126 HydrophobicContact CD1-CB 3.65Å; L112-Q126 HydrophobicContact CD1-CG 3.64Å; Q118-Q126 VanDerWaalsContact NE2-CD 3.34Å; G122-Q126 WeakPolarHBondContact O-CB 3.26Å; G122-Q126 VanDerWaalsContact O-CG 3.26Å; G122-Q126 WeakPolarHBondContact O-CG 3.46Å; G122-Q126 PolarHBondContact O-N 3.33Å; G122-Q126 PolarHBondContact O-NE2 2.95Å; G122-Q126 VanDerWaalsContact O-NE2 3.13Å; I123-Q126 PolarHBondContact O-N 2.88Å; Q126-V128 VanDerWaalsContact C-N 3.33Å; Q126-V128 PolarHBondContact O-N 3.25Å; Q126-S129 PolarHBondContact O-N 3.01Å; Q126-V130 VanDerWaalsContact O-CG2 3.31Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.47Å
127	A	88.8	Confident	85.9	Confident	3 Å²	3	64.7 Å²	64.7	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-43.9	177.6	0	0	0	0	0	111.6	L104 C108 I123 L124 H125 V130 I131 F151	L104-A127 HydrophobicContact CD1-CB 4.09Å; L104-A127 HydrophobicContact CD2-CB 4.22Å; L104-A127 HydrophobicContact CG-CB 4.34Å; C108-A127 WeakPolarHBondContact SG-CA 3.48Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.41Å; I123-A127 PolarHBondContact O-N 3.33Å; L124-A127 PolarHBondContact O-N 3.49Å; H125-A127 VanDerWaalsContact C-N 3.35Å; H125-A127 PolarHBondContact O-N 3.46Å; A127-V130 PolarHBondContact O-N 3.37Å; A127-I131 WeakPolarHBondContact O-CB 3.18Å; A127-I131 WeakPolarHBondContact O-CD1 3.47Å; A127-I131 WeakPolarHBondContact O-CG1 3.5Å; A127-I131 PolarHBondContact O-N 3.41Å; A127-F151 HydrophobicContact CB-CZ 4.42Å
128	V	89.3	Confident	85.6	Confident	91 Å²	91	60.6 Å²	60.6	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-60.1	-48.4	175.4	174.9	0	0	0	0	110.7	L124 H125 Q126 V130 I131 T132	L124-V128 WeakPolarHBondContact O-CG2 3.31Å; L124-V128 PolarHBondContact O-N 2.87Å; L124-V128 VanDerWaalsContact O-N 3.09Å; H125-V128 PolarHBondContact O-N 3.37Å; Q126-V128 VanDerWaalsContact C-N 3.33Å; Q126-V128 PolarHBondContact O-N 3.25Å; V128-V130 PolarHBondContact O-N 3.49Å; V128-I131 PolarHBondContact O-N 3.07Å; V128-T132 WeakPolarHBondContact O-CB 3.33Å; V128-T132 PolarHBondContact O-N 3.44Å; V128-T132 PolarHBondContact O-OG1 3.04Å; V128-T132 VanDerWaalsContact O-OG1 3.05Å
129	S	88.5	Confident	85.2	Confident	68 Å²	68	67.3 Å²	67.3	48%	0.476	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-42.5	177.7	-60.1	0	0	0	0	113	H125 Q126 A133	H125-S129 PolarHBondContact O-N 3.27Å; H125-S129 VanDerWaalsContact O-N 3.12Å; H125-S129 PolarHBondContact O-OG 3.03Å; Q126-S129 PolarHBondContact O-N 3.01Å; S129-A133 VanDerWaalsContact O-CB 3.3Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.73Å
130	V	86.2	Confident	84	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-46.8	177.9	171.2	0	0	0	0	110.9	H111 L112 Q126 A127 V128 A133 L134 F151	H111-V130 HydrophobicContact CB-CB 4.48Å; H111-V130 HydrophobicContact CB-CG1 3.82Å; H111-V130 HydrophobicContact CB-CG2 3.76Å; L112-V130 HydrophobicContact CD1-CG2 3.85Å; L112-V130 HydrophobicContact CD2-CG2 3.82Å; L112-V130 HydrophobicContact CG-CG2 3.57Å; Q126-V130 VanDerWaalsContact O-CG2 3.31Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.47Å; A127-V130 PolarHBondContact O-N 3.37Å; V128-V130 PolarHBondContact O-N 3.49Å; V130-A133 PolarHBondContact O-N 3.41Å; V130-L134 HydrophobicContact CG1-CD1 3.54Å; V130-L134 HydrophobicContact CG1-CG 4.24Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 WeakPolarHBondContact O-CG 3.31Å; V130-L134 PolarHBondContact O-N 2.88Å; V130-F151 HydrophobicContact CG1-CE2 4.37Å; V130-F151 HydrophobicContact CG1-CZ 4.43Å
131	I	86.2	Confident	82.7	Confident	35 Å²	35	73 Å²	73	18%	0.179	37%	0.37	C	S	.	.	H	α-helix	trans	-58.7	-52.1	177	-68.7	165.2	0	0	0	109.9	A127 V128 A133 L134 E135 F151	A127-I131 WeakPolarHBondContact O-CB 3.18Å; A127-I131 WeakPolarHBondContact O-CD1 3.47Å; A127-I131 WeakPolarHBondContact O-CG1 3.5Å; A127-I131 PolarHBondContact O-N 3.41Å; V128-I131 PolarHBondContact O-N 3.07Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.19Å; I131-L134 PolarHBondContact O-N 2.88Å; I131-E135 HydrophobicContact CG2-CG 4.11Å; I131-E135 WeakPolarHBondContact CG2-OE1 3.47Å; I131-E135 WeakPolarHBondContact O-CB 3.48Å; I131-E135 VanDerWaalsContact O-CG 3.29Å; I131-E135 WeakPolarHBondContact O-CG 3.45Å; I131-E135 PolarHBondContact O-N 3.49Å; I131-F151 HydrophobicContact CD1-CE1 3.87Å; I131-F151 HydrophobicContact CG1-CD1 3.87Å; I131-F151 HydrophobicContact CG1-CE1 3.45Å; I131-F151 VanDerWaalsContact CG1-CE1 3.45Å; I131-F151 HydrophobicContact CG1-CZ 4.5Å
132	T	87.2	Confident	81.1	Confident	58 Å²	58	74.7 Å²	74.7	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-41.9	-178.7	-58	0	0	0	0	112	V128 Q136	V128-T132 WeakPolarHBondContact O-CB 3.33Å; V128-T132 PolarHBondContact O-N 3.44Å; V128-T132 PolarHBondContact O-OG1 3.04Å; V128-T132 VanDerWaalsContact O-OG1 3.05Å; T132-Q136 VanDerWaalsContact O-CG 3.29Å; T132-Q136 WeakPolarHBondContact O-CG 3.18Å; T132-Q136 PolarHBondContact O-N 3.36Å
133	A	84.3	Confident	79.6	Confident	42 Å²	42	78.1 Å²	78.1	35%	0.347	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-43.6	176.9	0	0	0	0	0	112	S129 V130 I131 Q136 Q137	S129-A133 VanDerWaalsContact O-CB 3.3Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.73Å; V130-A133 PolarHBondContact O-N 3.41Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.19Å; A133-Q136 PolarHBondContact O-N 3.24Å; A133-Q137 VanDerWaalsContact O-CG 3.32Å; A133-Q137 WeakPolarHBondContact O-CG 3.32Å; A133-Q137 PolarHBondContact O-N 3.35Å
134	L	79.4	Confident	78.1	Confident	14 Å²	14	84 Å²	84	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-68.1	-39	178.3	-70	171.3	0	0	0	111.9	V130 I131 Q136 Q137 V138	V130-L134 HydrophobicContact CG1-CD1 3.54Å; V130-L134 HydrophobicContact CG1-CG 4.24Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 WeakPolarHBondContact O-CG 3.31Å; V130-L134 PolarHBondContact O-N 2.88Å; I131-L134 PolarHBondContact O-N 2.88Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.63Å; L134-Q137 PolarHBondContact O-N 3.25Å; L134-V138 WeakPolarHBondContact O-CB 3.48Å; L134-V138 VanDerWaalsContact O-CG2 3.31Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.11Å
135	E	78.7	Confident	76.5	Confident	93 Å²	93	82.9 Å²	82.9	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-43.1	174	-76.9	178	171.3	0	0	111.7	I131 V138 R139	I131-E135 HydrophobicContact CG2-CG 4.11Å; I131-E135 WeakPolarHBondContact CG2-OE1 3.47Å; I131-E135 WeakPolarHBondContact O-CB 3.48Å; I131-E135 VanDerWaalsContact O-CG 3.29Å; I131-E135 WeakPolarHBondContact O-CG 3.45Å; I131-E135 PolarHBondContact O-N 3.49Å; E135-V138 PolarHBondContact O-N 3.45Å; E135-R139 VanDerWaalsContact O-CB 3.23Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å
136	Q	80.8	Confident	75.3	Confident	102 Å²	102	79.9 Å²	79.9	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-63.7	-42.4	174.6	-71.3	173.5	13.4	0	0	111.4	T132 A133 L134 R139 L140	T132-Q136 VanDerWaalsContact O-CG 3.29Å; T132-Q136 WeakPolarHBondContact O-CG 3.18Å; T132-Q136 PolarHBondContact O-N 3.36Å; A133-Q136 PolarHBondContact O-N 3.24Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.63Å; Q136-R139 PolarHBondContact O-N 2.9Å; Q136-L140 VanDerWaalsContact O-CB 3.3Å; Q136-L140 WeakPolarHBondContact O-CB 3.43Å; Q136-L140 VanDerWaalsContact O-CG 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.29Å; Q136-L140 PolarHBondContact O-N 3.38Å
137	Q	75	Confident	74.2	Confident	75 Å²	75	82.3 Å²	82.3	35%	0.35	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-45	175.9	-72.1	177.4	12.1	0	0	112.1	A133 L134 R139 L140 R141	A133-Q137 VanDerWaalsContact O-CG 3.32Å; A133-Q137 WeakPolarHBondContact O-CG 3.32Å; A133-Q137 PolarHBondContact O-N 3.35Å; L134-Q137 PolarHBondContact O-N 3.25Å; Q137-R139 VanDerWaalsContact C-N 3.35Å; Q137-L140 PolarHBondContact O-N 2.95Å; Q137-R141 WeakPolarHBondContact O-CB 3.41Å; Q137-R141 PolarHBondContact O-N 2.85Å
138	V	73.2	Confident	73	Confident	63 Å²	63	82.6 Å²	82.6	38%	0.382	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-39.2	178.1	171.2	0	0	0	0	111	L134 E135 L140	L134-V138 WeakPolarHBondContact O-CB 3.48Å; L134-V138 VanDerWaalsContact O-CG2 3.31Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.11Å; E135-V138 PolarHBondContact O-N 3.45Å; V138-L140 VanDerWaalsContact C-N 3.28Å; V138-L140 PolarHBondContact O-N 3.19Å
139	R	73	Confident	71.9	Confident	188 Å²	188	83.3 Å²	83.3	71%	0.709	43%	0.434	S	S	*	.	H	α-helix	trans	-65.1	-31	176	-169.9	178	-63.5	140.5	5	112.6	E135 Q136 Q137	E135-R139 VanDerWaalsContact O-CB 3.23Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å; Q136-R139 PolarHBondContact O-N 2.9Å; Q137-R139 VanDerWaalsContact C-N 3.35Å
140	L	66.7	Low	71	Confident	138 Å²	138	86 Å²	86	72%	0.723	44%	0.438	S	S	*	.	H	α-helix	trans	-105.3	-17.6	-171.9	-65	173.5	0	0	0	115.2	Q136 Q137 V138	Q136-L140 VanDerWaalsContact O-CB 3.3Å; Q136-L140 WeakPolarHBondContact O-CB 3.43Å; Q136-L140 VanDerWaalsContact O-CG 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.29Å; Q136-L140 PolarHBondContact O-N 3.38Å; Q137-L140 PolarHBondContact O-N 2.95Å; V138-L140 VanDerWaalsContact C-N 3.28Å; V138-L140 PolarHBondContact O-N 3.19Å
141	R	62.1	Low	70.2	Confident	180 Å²	180	86.1 Å²	86.1	68%	0.679	44%	0.438	S	S	*	.	S	Bend	trans	-136.6	34.3	-163.2	-61	-166.6	-178.7	129.9	0.5	118	Q137	Q137-R141 WeakPolarHBondContact O-CB 3.41Å; Q137-R141 PolarHBondContact O-N 2.85Å
142	L	57.3	Low	69.4	Low	145 Å²	145	87.8 Å²	87.8	76%	0.759	45%	0.452	S	S	*	.			trans	76.1	142.5	169.8	-51.3	152	0	0	0	113.6	N144	L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.42Å
143	P	57.5	Low	68.5	Low	92 Å²	92	90.6 Å²	90.6	60%	0.597	46%	0.464	S	S	*	.	S	Bend	trans	-69.9	12.9	-151.7	25.1	-35.6	0	0	0	118.7
144	N	56	Low	67.9	Low	134 Å²	134	92.4 Å²	92.4	72%	0.717	47%	0.467	S	S	*	.			trans	-114.9	13.3	-156.4	-56.6	-28.4	0	0	0	116	L142 S146	L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.42Å; N144-S146 VanDerWaalsContact C-N 3.29Å; N144-S146 PolarHBondContact O-N 3.2Å
145	N	58.2	Low	67.5	Low	59 Å²	59	95.3 Å²	95.3	32%	0.316	48%	0.48	S	S	.	.			trans	-77	86	173	-164.6	-12.4	0	0	0	110.3	N147 G148 L149	N145-N147 PolarHBondContact O-N 3.05Å; N145-N147 PolarHBondContact OD1-N 2.92Å; N145-G148 PolarHBondContact O-N 3.01Å; N145-G148 VanDerWaalsContact O-N 3.08Å; N145-L149 PolarHBondContact O-N 3.37Å
146	S	64	Low	67	Low	61 Å²	61	93.7 Å²	93.7	43%	0.427	48%	0.482	S	S	.	.	H	α-helix	trans	-54.1	-22.4	-178.6	65.3	0	0	0	0	114	N144 K150	N144-S146 VanDerWaalsContact C-N 3.29Å; N144-S146 PolarHBondContact O-N 3.2Å; S146-K150 WeakPolarHBondContact O-CB 3.31Å; S146-K150 VanDerWaalsContact O-CD 3.27Å; S146-K150 WeakPolarHBondContact O-CD 3.41Å; S146-K150 WeakPolarHBondContact O-CG 3.42Å; S146-K150 PolarHBondContact O-N 2.85Å
147	N	66.5	Low	66.6	Low	85 Å²	85	92.4 Å²	92.4	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-76.6	-38.1	179.2	-61.1	-49.6	0	0	0	112.4	N145 K150 F151	N145-N147 PolarHBondContact O-N 3.05Å; N145-N147 PolarHBondContact OD1-N 2.92Å; N147-K150 PolarHBondContact O-N 3.34Å; N147-F151 WeakPolarHBondContact O-CB 3.5Å; N147-F151 PolarHBondContact O-N 2.89Å
148	G	63	Low	66.3	Low	9 Å²	9	93.4 Å²	93.4	9%	0.093	48%	0.484	C	S	.	.	H	α-helix	trans	-70.4	-40.4	179.1	0	0	0	0	0	113	N145 F151 C152	N145-G148 PolarHBondContact O-N 3.01Å; N145-G148 VanDerWaalsContact O-N 3.08Å; G148-F151 PolarHBondContact O-N 3.48Å; G148-C152 WeakPolarHBondContact O-CB 3.2Å; G148-C152 PolarHBondContact O-N 3.34Å
149	L	65.8	Low	65.8	Low	107 Å²	107	97.2 Å²	97.2	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-64.4	-40.9	173.7	-73.2	168.7	0	0	0	111.8	N145 C152 L153	N145-L149 PolarHBondContact O-N 3.37Å; L149-C152 PolarHBondContact O-N 3.34Å; L149-L153 VanDerWaalsContact O-CB 3.22Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.43Å
150	K	69.3	Low	65.4	Low	125 Å²	125	90.4 Å²	90.4	54%	0.543	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174	-75.1	169.2	-171.7	170.5	0	111.7	S146 N147 L154	S146-K150 WeakPolarHBondContact O-CB 3.31Å; S146-K150 VanDerWaalsContact O-CD 3.27Å; S146-K150 WeakPolarHBondContact O-CD 3.41Å; S146-K150 WeakPolarHBondContact O-CG 3.42Å; S146-K150 PolarHBondContact O-N 2.85Å; N147-K150 PolarHBondContact O-N 3.34Å; K150-L154 WeakPolarHBondContact O-CB 3.43Å; K150-L154 PolarHBondContact O-N 2.98Å
151	F	70.4	Confident	65.1	Low	4 Å²	4	92.5 Å²	92.5	2%	0.018	48%	0.479	C	S	.	.	H	α-helix	trans	-62.5	-49.2	177.1	-167.7	-80.3	0	0	0	111.4	L104 M107 A127 V130 I131 N147 G148 L153 L154 F155	L104-F151 HydrophobicContact CD1-CE1 4.37Å; L104-F151 HydrophobicContact CD1-CE2 3.99Å; L104-F151 HydrophobicContact CD1-CZ 3.52Å; M107-F151 HydrophobicContact CB-CD2 3.98Å; M107-F151 HydrophobicContact CB-CE2 3.68Å; M107-F151 HydrophobicContact CE-CB 4.19Å; M107-F151 HydrophobicContact CE-CD2 3.55Å; M107-F151 HydrophobicContact CE-CE2 4.35Å; M107-F151 HydrophobicContact CE-CG 4.25Å; M107-F151 HydrophobicContact SD-CD2 4.02Å; M107-F151 HydrophobicContact SD-CE2 4.26Å; A127-F151 HydrophobicContact CB-CZ 4.42Å; V130-F151 HydrophobicContact CG1-CE2 4.37Å; V130-F151 HydrophobicContact CG1-CZ 4.43Å; I131-F151 HydrophobicContact CD1-CE1 3.87Å; I131-F151 HydrophobicContact CG1-CD1 3.87Å; I131-F151 HydrophobicContact CG1-CE1 3.45Å; I131-F151 VanDerWaalsContact CG1-CE1 3.45Å; I131-F151 HydrophobicContact CG1-CZ 4.5Å; N147-F151 WeakPolarHBondContact O-CB 3.5Å; N147-F151 PolarHBondContact O-N 2.89Å; G148-F151 PolarHBondContact O-N 3.48Å; F151-L153 PolarHBondContact O-N 3.31Å; F151-L154 PolarHBondContact O-N 3.19Å; F151-F155 WeakPolarHBondContact O-CB 3.49Å; F151-F155 PolarHBondContact O-N 3.41Å
152	C	68.5	Low	64.8	Low	70 Å²	70	85.7 Å²	85.7	47%	0.473	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-43.1	179.6	-159.1	0	0	0	0	111.7	G148 L149 F155 A156	G148-C152 WeakPolarHBondContact O-CB 3.2Å; G148-C152 PolarHBondContact O-N 3.34Å; L149-C152 PolarHBondContact O-N 3.34Å; C152-F155 PolarHBondContact O-N 2.84Å; C152-A156 WeakPolarHBondContact O-CB 3.48Å; C152-A156 PolarHBondContact O-N 3.48Å
153	L	69.8	Low	64.8	Low	117 Å²	117	84 Å²	84	61%	0.613	44%	0.443	S	S	*	.	H	α-helix	trans	-66.4	-42.9	177.2	-170.7	67.6	0	0	0	112.1	L149 F151 F155 A156 C157	L149-L153 VanDerWaalsContact O-CB 3.22Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.43Å; F151-L153 PolarHBondContact O-N 3.31Å; L153-F155 VanDerWaalsContact C-N 3.33Å; L153-A156 PolarHBondContact O-N 2.97Å; L153-C157 VanDerWaalsContact O-CB 3.23Å; L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.48Å; L153-C157 PolarHBondContact O-SG 3.36Å; L153-C157 VanDerWaalsContact O-SG 3.34Å
154	L	70.1	Confident	64.8	Low	79 Å²	79	84 Å²	84	41%	0.414	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-39.3	178.1	-165.3	141.5	0	0	0	111	M107 K150 F151 R158	M107-L154 HydrophobicContact SD-CD2 4.18Å; K150-L154 WeakPolarHBondContact O-CB 3.43Å; K150-L154 PolarHBondContact O-N 2.98Å; F151-L154 PolarHBondContact O-N 3.19Å; L154-R158 WeakPolarHBondContact O-CB 3.17Å; L154-R158 PolarHBondContact O-N 2.88Å
155	F	71.2	Confident	65	Low	76 Å²	76	82.2 Å²	82.2	33%	0.333	44%	0.435	S	S	.	.	H	α-helix	trans	-63	-49.9	173.1	-169.2	-92.3	0	0	0	111.4	F151 C152 L153 R158 Y159	F151-F155 WeakPolarHBondContact O-CB 3.49Å; F151-F155 PolarHBondContact O-N 3.41Å; C152-F155 PolarHBondContact O-N 2.84Å; L153-F155 VanDerWaalsContact C-N 3.33Å; F155-R158 PolarHBondContact O-N 3.46Å; F155-Y159 HydrophobicContact CE1-CG 4.42Å; F155-Y159 HydrophobicContact CZ-CD2 4.18Å; F155-Y159 WeakPolarHBondContact O-CB 3.32Å; F155-Y159 PolarHBondContact O-N 2.93Å
156	A	69.4	Low	65	Low	58 Å²	58	80.6 Å²	80.6	48%	0.479	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-47.4	178.6	0	0	0	0	0	112.4	C152 L153 R158 G160	C152-A156 WeakPolarHBondContact O-CB 3.48Å; C152-A156 PolarHBondContact O-N 3.48Å; L153-A156 PolarHBondContact O-N 2.97Å; A156-R158 PolarHBondContact O-N 3.43Å; A156-G160 WeakPolarHBondContact O-CA 3.14Å; A156-G160 PolarHBondContact O-N 2.88Å
157	C	71.6	Confident	64.7	Low	76 Å²	76	81.8 Å²	81.8	51%	0.514	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-39.3	178.4	-75.2	0	0	0	0	112.3	L153 R161	L153-C157 VanDerWaalsContact O-CB 3.23Å; L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.48Å; L153-C157 PolarHBondContact O-SG 3.36Å; L153-C157 VanDerWaalsContact O-SG 3.34Å; C157-R161 WeakPolarHBondContact O-CB 3.33Å; C157-R161 WeakPolarHBondContact O-CG 3.19Å; C157-R161 PolarHBondContact O-N 2.7Å; C157-R161 VanDerWaalsContact O-N 3.17Å
158	R	68.3	Low	64.6	Low	96 Å²	96	81.1 Å²	81.1	36%	0.362	43%	0.429	S	S	.	.	H	α-helix	trans	-81.5	-42	-177.3	-162.2	134.4	172.7	90.5	-5.1	112	D96 L154 F155 A156 R161 Q162	D96-R158 PolarHBondContact O-NH2 3.23Å; D96-R158 VanDerWaalsContact O-NH2 3.09Å; L154-R158 WeakPolarHBondContact O-CB 3.17Å; L154-R158 PolarHBondContact O-N 2.88Å; F155-R158 PolarHBondContact O-N 3.46Å; A156-R158 PolarHBondContact O-N 3.43Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-Q162 WeakPolarHBondContact O-CB 3.32Å; R158-Q162 WeakPolarHBondContact O-CG 3.44Å; R158-Q162 PolarHBondContact O-N 3.45Å
159	Y	63.7	Low	64.6	Low	142 Å²	142	82.5 Å²	82.5	56%	0.557	44%	0.44	S	S	*	.	H	α-helix	trans	-68.8	-37.1	176.5	-154.6	-94.9	0	0	0	111.7	F155 Q162 Q163	F155-Y159 HydrophobicContact CE1-CG 4.42Å; F155-Y159 HydrophobicContact CZ-CD2 4.18Å; F155-Y159 WeakPolarHBondContact O-CB 3.32Å; F155-Y159 PolarHBondContact O-N 2.93Å; Y159-Q162 PolarHBondContact O-N 2.76Å; Y159-Q163 HydrophobicContact CE1-CG 4.45Å; Y159-Q163 PolarHBondContact O-N 3.31Å; Y159-Q163 VanDerWaalsContact O-N 3.11Å
160	G	62.9	Low	64.5	Low	46 Å²	46	83.4 Å²	83.4	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-62.7	-44.8	172.3	0	0	0	0	0	113	A156 S164	A156-G160 WeakPolarHBondContact O-CA 3.14Å; A156-G160 PolarHBondContact O-N 2.88Å; G160-S164 PolarHBondContact O-N 2.84Å
161	R	61	Low	64.4	Low	181 Å²	181	82.1 Å²	82.1	68%	0.683	44%	0.438	S	S	*	.	H	α-helix	trans	-65.1	-40.2	173.1	-84	-159.3	-154.4	167.2	6.9	112.7	C157 R158 Q163 S164 I165	C157-R161 WeakPolarHBondContact O-CB 3.33Å; C157-R161 WeakPolarHBondContact O-CG 3.19Å; C157-R161 PolarHBondContact O-N 2.7Å; C157-R161 VanDerWaalsContact O-N 3.17Å; R158-R161 PolarHBondContact O-N 3.43Å; R161-Q163 PolarHBondContact O-N 3.17Å; R161-S164 PolarHBondContact O-N 2.92Å; R161-I165 HydrophobicContact CB-CD1 4.3Å; R161-I165 WeakPolarHBondContact O-CD1 3.31Å; R161-I165 VanDerWaalsContact O-CG1 3.3Å; R161-I165 WeakPolarHBondContact O-CG1 3.39Å; R161-I165 PolarHBondContact O-N 3.01Å
162	Q	57.1	Low	64.1	Low	37 Å²	37	87.6 Å²	87.6	17%	0.173	47%	0.467	C	S	.	.	H	α-helix	trans	-66.3	-36.7	-176.8	-73.6	-72.8	35.9	0	0	112.5	I97 R158 Y159 I165 C166	I97-Q162 VanDerWaalsContact CG1-NE2 3.33Å; R158-Q162 WeakPolarHBondContact O-CB 3.32Å; R158-Q162 WeakPolarHBondContact O-CG 3.44Å; R158-Q162 PolarHBondContact O-N 3.45Å; Y159-Q162 PolarHBondContact O-N 2.76Å; Q162-I165 PolarHBondContact O-N 3.41Å; Q162-C166 WeakPolarHBondContact O-CB 3.35Å; Q162-C166 PolarHBondContact O-N 3.43Å; Q162-C166 PolarHBondContact O-SG 2.93Å; Q162-C166 VanDerWaalsContact O-SG 3.37Å
163	Q	56.7	Low	63.8	Low	110 Å²	110	91.9 Å²	91.9	51%	0.514	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-44.9	172.7	-78.7	-139	60.8	0	0	111.9	Y159 R161 I165 L167	Y159-Q163 HydrophobicContact CE1-CG 4.45Å; Y159-Q163 PolarHBondContact O-N 3.31Å; Y159-Q163 VanDerWaalsContact O-N 3.11Å; R161-Q163 PolarHBondContact O-N 3.17Å; Q163-I165 VanDerWaalsContact C-N 3.31Å; Q163-I165 PolarHBondContact O-N 3.22Å; Q163-L167 VanDerWaalsContact O-CB 3.31Å; Q163-L167 WeakPolarHBondContact O-CB 3.41Å; Q163-L167 WeakPolarHBondContact O-CD1 3.24Å; Q163-L167 PolarHBondContact O-N 3.45Å
164	S	56.8	Low	63.5	Low	91 Å²	91	92.9 Å²	92.9	64%	0.636	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-32.4	-179.9	-173.8	0	0	0	0	113.2	G160 R161 P168	G160-S164 PolarHBondContact O-N 2.84Å; R161-S164 PolarHBondContact O-N 2.92Å; S164-P168 WeakPolarHBondContact O-CD 3.48Å
165	I	61	Low	63.2	Low	97 Å²	97	97.9 Å²	97.9	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-87.4	-32.6	-178.1	-63.3	163.4	0	0	0	112.3	R161 Q162 Q163 P168	R161-I165 HydrophobicContact CB-CD1 4.3Å; R161-I165 WeakPolarHBondContact O-CD1 3.31Å; R161-I165 VanDerWaalsContact O-CG1 3.3Å; R161-I165 WeakPolarHBondContact O-CG1 3.39Å; R161-I165 PolarHBondContact O-N 3.01Å; Q162-I165 PolarHBondContact O-N 3.41Å; Q163-I165 VanDerWaalsContact C-N 3.31Å; Q163-I165 PolarHBondContact O-N 3.22Å; I165-P168 WeakPolarHBondContact O-CD 3.49Å; I165-P168 WeakPolarHBondContact O-CG 3.46Å
166	C	57.7	Low	62.5	Low	26 Å²	26	100.7 Å²	100.7	18%	0.176	50%	0.504	C	S	.	.	H	α-helix	trans	-87	-27.8	-179.3	-66.6	0	0	0	0	113.7	Q162 A169 F170	Q162-C166 WeakPolarHBondContact O-CB 3.35Å; Q162-C166 PolarHBondContact O-N 3.43Å; Q162-C166 PolarHBondContact O-SG 2.93Å; Q162-C166 VanDerWaalsContact O-SG 3.37Å; C166-A169 PolarHBondContact O-N 2.81Å; C166-F170 WeakPolarHBondContact O-CB 3.19Å; C166-F170 PolarHBondContact O-N 3.48Å
167	L	58.2	Low	61.8	Low	86 Å²	86	107 Å²	107	45%	0.45	53%	0.528	S	S	.	.	H	α-helix	trans	-53.5	-48.3	175.7	-110.4	65.7	0	0	0	113.4	Q163 A169 F170 I171	Q163-L167 VanDerWaalsContact O-CB 3.31Å; Q163-L167 WeakPolarHBondContact O-CB 3.41Å; Q163-L167 WeakPolarHBondContact O-CD1 3.24Å; Q163-L167 PolarHBondContact O-N 3.45Å; L167-A169 VanDerWaalsContact C-N 3.31Å; L167-A169 PolarHBondContact O-N 3.27Å; L167-F170 PolarHBondContact O-N 3.32Å; L167-I171 VanDerWaalsContact O-CB 3.32Å; L167-I171 WeakPolarHBondContact O-CB 3.43Å; L167-I171 WeakPolarHBondContact O-CG1 3.31Å; L167-I171 PolarHBondContact O-N 3.47Å
168	P	63.7	Low	61.3	Low	70 Å²	70	108.5 Å²	108.5	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-33.9	-179.7	23.4	-32.5	0	0	0	112.2	S164 I165 L172	S164-P168 WeakPolarHBondContact O-CD 3.48Å; I165-P168 WeakPolarHBondContact O-CD 3.49Å; I165-P168 WeakPolarHBondContact O-CG 3.46Å; P168-L172 WeakPolarHBondContact O-CB 3.27Å; P168-L172 WeakPolarHBondContact O-CD1 3.49Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 3.28Å
169	A	63	Low	60.9	Low	39 Å²	39	109.2 Å²	109.2	32%	0.322	54%	0.537	S	S	.	.	H	α-helix	trans	-73.6	-38.8	177.4	0	0	0	0	0	112.7	C166 L167 L172 Y173	C166-A169 PolarHBondContact O-N 2.81Å; L167-A169 VanDerWaalsContact C-N 3.31Å; L167-A169 PolarHBondContact O-N 3.27Å; A169-L172 PolarHBondContact O-N 3.13Å; A169-Y173 WeakPolarHBondContact O-CB 3.06Å; A169-Y173 PolarHBondContact O-N 3.34Å
170	F	63.6	Low	60.8	Low	126 Å²	126	107.3 Å²	107.3	55%	0.553	54%	0.536	S	S	*	.	H	α-helix	trans	-68.1	-43.3	176.9	-173.2	-94.5	0	0	0	111.6	C166 L167 L172 Y173 F174	C166-F170 WeakPolarHBondContact O-CB 3.19Å; C166-F170 PolarHBondContact O-N 3.48Å; L167-F170 PolarHBondContact O-N 3.32Å; F170-L172 VanDerWaalsContact C-N 3.33Å; F170-L172 PolarHBondContact O-N 3.41Å; F170-Y173 PolarHBondContact O-N 3.35Å; F170-F174 HydrophobicContact CD1-CD2 4.11Å; F170-F174 HydrophobicContact CD2-CD2 4.16Å; F170-F174 HydrophobicContact CD2-CE2 4.19Å; F170-F174 AromaticContact CE1-CD2 3.66Å; F170-F174 HydrophobicContact CE1-CD2 3.66Å; F170-F174 AromaticContact CE1-CE2 3.93Å; F170-F174 HydrophobicContact CE1-CE2 3.93Å; F170-F174 HydrophobicContact CE1-CG 4.37Å; F170-F174 AromaticContact CE2-CD2 3.73Å; F170-F174 HydrophobicContact CE2-CD2 3.73Å; F170-F174 AromaticContact CE2-CE2 3.38Å; F170-F174 HydrophobicContact CE2-CE2 3.38Å; F170-F174 HydrophobicContact CE2-CZ 4.44Å; F170-F174 HydrophobicContact CG-CD2 4.35Å; F170-F174 AromaticContact CZ-CD2 3.45Å; F170-F174 HydrophobicContact CZ-CD2 3.45Å; F170-F174 VanDerWaalsContact CZ-CD2 3.45Å; F170-F174 AromaticContact CZ-CE2 3.22Å; F170-F174 HydrophobicContact CZ-CE2 3.22Å; F170-F174 HydrophobicContact CZ-CG 4.44Å; F170-F174 HydrophobicContact CZ-CZ 4.05Å; F170-F174 PolarHBondContact O-N 3.39Å
171	I	67.7	Low	60.7	Low	97 Å²	97	110.9 Å²	110.9	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-42.4	174.3	-68.4	170.3	0	0	0	110	L167 Y173 F174 F175	L167-I171 VanDerWaalsContact O-CB 3.32Å; L167-I171 WeakPolarHBondContact O-CB 3.43Å; L167-I171 WeakPolarHBondContact O-CG1 3.31Å; L167-I171 PolarHBondContact O-N 3.47Å; I171-Y173 VanDerWaalsContact C-N 3.29Å; I171-Y173 PolarHBondContact O-N 2.61Å; I171-F174 PolarHBondContact O-N 3.11Å; I171-F175 VanDerWaalsContact O-CB 3.24Å; I171-F175 WeakPolarHBondContact O-CB 3.02Å; I171-F175 PolarHBondContact O-N 3.37Å
172	L	63.7	Low	60.6	Low	119 Å²	119	106.6 Å²	106.6	62%	0.623	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-24.3	176.6	-72.9	174.5	0	0	0	114.1	P168 A169 F170 K176	P168-L172 WeakPolarHBondContact O-CB 3.27Å; P168-L172 WeakPolarHBondContact O-CD1 3.49Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 3.28Å; A169-L172 PolarHBondContact O-N 3.13Å; F170-L172 VanDerWaalsContact C-N 3.33Å; F170-L172 PolarHBondContact O-N 3.41Å; L172-K176 WeakPolarHBondContact O-CB 2.93Å
173	Y	62.2	Low	60.9	Low	160 Å²	160	111.2 Å²	111.2	63%	0.627	56%	0.555	S	S	*	*	H	α-helix	trans	-80.8	-40.9	176.2	-167.6	-93.8	0	0	0	112	A169 F170 I171 I177	A169-Y173 WeakPolarHBondContact O-CB 3.06Å; A169-Y173 PolarHBondContact O-N 3.34Å; F170-Y173 PolarHBondContact O-N 3.35Å; I171-Y173 VanDerWaalsContact C-N 3.29Å; I171-Y173 PolarHBondContact O-N 2.61Å; Y173-I177 HydrophobicContact CE1-CD1 4.34Å
174	F	63.9	Low	61.2	Low	138 Å²	138	111.3 Å²	111.3	61%	0.605	56%	0.558	S	S	*	*	H	α-helix	trans	-80.1	-25.4	179.9	-94	-89.2	0	0	0	114.3	F170 I171	F170-F174 HydrophobicContact CD1-CD2 4.11Å; F170-F174 HydrophobicContact CD2-CD2 4.16Å; F170-F174 HydrophobicContact CD2-CE2 4.19Å; F170-F174 AromaticContact CE1-CD2 3.66Å; F170-F174 HydrophobicContact CE1-CD2 3.66Å; F170-F174 AromaticContact CE1-CE2 3.93Å; F170-F174 HydrophobicContact CE1-CE2 3.93Å; F170-F174 HydrophobicContact CE1-CG 4.37Å; F170-F174 AromaticContact CE2-CD2 3.73Å; F170-F174 HydrophobicContact CE2-CD2 3.73Å; F170-F174 AromaticContact CE2-CE2 3.38Å; F170-F174 HydrophobicContact CE2-CE2 3.38Å; F170-F174 HydrophobicContact CE2-CZ 4.44Å; F170-F174 HydrophobicContact CG-CD2 4.35Å; F170-F174 AromaticContact CZ-CD2 3.45Å; F170-F174 HydrophobicContact CZ-CD2 3.45Å; F170-F174 VanDerWaalsContact CZ-CD2 3.45Å; F170-F174 AromaticContact CZ-CE2 3.22Å; F170-F174 HydrophobicContact CZ-CE2 3.22Å; F170-F174 HydrophobicContact CZ-CG 4.44Å; F170-F174 HydrophobicContact CZ-CZ 4.05Å; F170-F174 PolarHBondContact O-N 3.39Å; I171-F174 PolarHBondContact O-N 3.11Å
175	F	63.5	Low	61.5	Low	184 Å²	184	112.8 Å²	112.8	81%	0.807	55%	0.552	S	S	*	*	S	Bend	trans	-98.9	3.4	-178.4	-125	-96.5	0	0	0	114	I171	I171-F175 VanDerWaalsContact O-CB 3.24Å; I171-F175 WeakPolarHBondContact O-CB 3.02Å; I171-F175 PolarHBondContact O-N 3.37Å
176	K	56.2	Low	61.5	Low	135 Å²	135	114.2 Å²	114.2	59%	0.587	56%	0.556	S	S	*	*			trans	-124.9	18.2	-178.2	-157.7	159.3	177	64.2	0	114.5	L172	L172-K176 WeakPolarHBondContact O-CB 2.93Å
177	I	55.3	Low	61.9	Low	190 Å²	190	122.2 Å²	122.2	97%	0.974	59%	0.591	S	S	*	*			trans	-107.5	0	158.8	-70.8	164.9	0	0	0	106.3	Y173	Y173-I177 HydrophobicContact CE1-CD1 4.34Å

Retrieved 177 of 177 residues in 103 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).