A0A087XT54_POEFO Loading...

TAF11 RNA polymerase II, TATA box binding protein (TBP)-associated factor

AlphaFold DB , UniProt , Accession A0A087XT54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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	40.7	Very low	39.7	Very low	253 Å²	253	149.7 Å²	149.7	100%	1.246	83%	0.828	S	S	*	*				0	139.3	0	-90.5	176.6	144	0	0	107.9
2	A	39.2	Very low	38.9	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	82%	0.817	S	S	*	*			trans	-76.1	144.4	-158.6	0	0	0	0	0	115.5
3	D	42.8	Very low	38.5	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	81%	0.813	S	S	*	*			trans	21	138.4	137.3	-156.1	12.6	0	0	0	121.2
4	P	49.9	Very low	38.3	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	80%	0.801	S	S	*	*			trans	-120.7	116.8	142.2	33.5	-18.5	0	0	0	112.2
5	A	40	Very low	38.2	Very low	84 Å²	84	146.2 Å²	146.2	69%	0.694	80%	0.795	S	S	*	*			trans	-48.8	144.9	171	0	0	0	0	0	114.7
6	R	42	Very low	37.9	Very low	252 Å²	252	147.4 Å²	147.4	95%	0.951	79%	0.793	S	S	*	*			trans	-128.5	132.6	155.6	-162.3	170.7	-174.9	157	0.7	110.7
7	I	39.8	Very low	37.4	Very low	140 Å²	140	142.6 Å²	142.6	72%	0.718	79%	0.787	S	S	*	*			trans	-94	141	-168.4	-73.2	161.3	0	0	0	111
8	K	40	Very low	37	Very low	177 Å²	177	144.2 Å²	144.2	77%	0.77	79%	0.785	S	S	*	*			trans	36.2	136.9	149.5	-66.5	175.2	175	-175.1	0	122.3
9	T	37.8	Very low	36.7	Very low	134 Å²	134	142.8 Å²	142.8	82%	0.822	78%	0.776	S	S	*	*				-175.1	113.2	115.4	42.5	0	0	0	0	107.5
10	E	33	Very low	36.4	Very low	176 Å²	176	142.1 Å²	142.1	82%	0.822	77%	0.771	S	S	*	*				63.9	123.8	73.2	-70	-77.1	171.4	0	0	115.3
11	G	31.3	Very low	36.2	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	77%	0.773	S	S	*	*			trans	88.8	138.4	161.8	0	0	0	0	0	115.9
12	S	30.4	Very low	35.7	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.753	S	S	*	*			cis	-176.9	137.3	4.5	-131.2	0	0	0	0	105.2
13	L	34.4	Very low	35.2	Very low	145 Å²	145	140.2 Å²	140.2	76%	0.759	75%	0.749	S	S	*	*				58.1	118.7	107.2	-76.6	169.5	0	0	0	113
14	E	35.6	Very low	35	Very low	139 Å²	139	138.5 Å²	138.5	65%	0.65	75%	0.745	S	S	*	*				-175.6	139.1	60.8	-79.4	-144.3	121.6	0	0	108.7
15	K	36.2	Very low	34.1	Very low	162 Å²	162	142 Å²	142	70%	0.704	75%	0.748	S	S	*	*				73.7	138.3	87.2	-119.5	-172	-156.5	161.1	0	111.3
16	E	34.1	Very low	33.5	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	75%	0.75	S	S	*	*			cis	-156.7	156.2	35.7	-60.6	-163	135.8	0	0	109.5
17	G	29.8	Very low	32.8	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	74%	0.744	S	S	*	*				105	135.9	78.3	0	0	0	0	0	108.6
18	F	29.8	Very low	32.2	Very low	171 Å²	171	142.1 Å²	142.1	75%	0.75	75%	0.75	S	S	*	*			cis	-167.5	135.6	40.1	-122.1	-112.9	0	0	0	106.6
19	I	31.6	Very low	31.6	Very low	118 Å²	118	140.9 Å²	140.9	61%	0.605	75%	0.747	S	S	*	*				71.8	125.8	76.5	-61.1	163.7	0	0	0	112.2
20	N	29.2	Very low	31.5	Very low	128 Å²	128	139.9 Å²	139.9	68%	0.684	74%	0.742	S	S	*	*				-167.7	142.2	63	-105.5	-32	0	0	0	110.4
21	E	33	Very low	31.8	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	74%	0.735	S	S	*	*				58.5	136.6	94.2	-69.1	-148.8	151.3	0	0	115.7
22	E	29.3	Very low	31.9	Very low	178 Å²	178	139.3 Å²	139.3	83%	0.832	74%	0.739	S	S	*	*				-170.6	161.5	53.9	-163	178.6	164.3	0	0	112.1
23	S	29.8	Very low	31.9	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	74%	0.744	S	S	*	*			trans	-78.7	-170.4	168.3	-67.8	0	0	0	0	111.4
24	P	39.1	Very low	31.5	Very low	104 Å²	104	141.7 Å²	141.7	68%	0.675	74%	0.744	S	S	*	*			cis	-154.5	165	29.8	41.7	-16.9	0	0	0	122.2
25	K	29.6	Very low	31.2	Very low	192 Å²	192	140.7 Å²	140.7	84%	0.835	75%	0.752	S	S	*	*			trans	55.5	151.2	136	-69.3	177.6	-177.9	177.6	0	121.3
26	T	28.1	Very low	30.9	Very low	119 Å²	119	138 Å²	138	73%	0.73	76%	0.761	S	S	*	*			cis	-170.8	173.5	7	6	0	0	0	0	111
27	E	27.2	Very low	30.6	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	76%	0.764	S	S	*	*			trans	111.9	139.4	152.4	-66.3	-176.7	-166.6	0	0	116.1
28	H	27.3	Very low	30.9	Very low	180 Å²	180	143.7 Å²	143.7	83%	0.833	77%	0.771	S	S	*	*			cis	-168.6	148.1	-22.4	-150.1	-74.3	0	0	0	106
29	E	27.4	Very low	30.9	Very low	152 Å²	152	141.3 Å²	141.3	71%	0.71	78%	0.776	S	S	*	*			trans	-51.7	171.7	175	-87.1	-129.4	176.5	0	0	116.6
30	P	36.3	Very low	30.9	Very low	112 Å²	112	140.2 Å²	140.2	73%	0.727	78%	0.784	S	S	*	*			cis	-150.3	178.1	33.8	38.6	-14.6	0	0	0	119.5
31	V	38.9	Very low	31.3	Very low	110 Å²	110	140.8 Å²	140.8	67%	0.667	79%	0.787	S	S	*	*			trans	-51.4	163.3	162.8	-135	0	0	0	0	114.2
32	P	33.2	Very low	31.3	Very low	126 Å²	126	139.8 Å²	139.8	82%	0.818	79%	0.787	S	S	*	*				-141.5	140.2	121.2	35.1	-20.2	0	0	0	115.4
33	E	30.3	Very low	31.8	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	78%	0.782	S	S	*	*			trans	-92.1	142.5	149	-73.7	-175.8	155.6	0	0	109
34	T	26.4	Very low	32.5	Very low	125 Å²	125	140.6 Å²	140.6	77%	0.767	78%	0.781	S	S	*	*				153.4	128.7	122	50.2	0	0	0	0	114.2
35	S	29.3	Very low	32.6	Very low	118 Å²	118	144 Å²	144	83%	0.825	79%	0.788	S	S	*	*			trans	60.3	111.5	146.8	46.5	0	0	0	0	122.2
36	A	29.8	Very low	33.3	Very low	106 Å²	106	141.2 Å²	141.2	88%	0.876	78%	0.782	S	S	*	*			trans	-157.4	142.3	133.2	0	0	0	0	0	111
37	E	27.7	Very low	34.2	Very low	178 Å²	178	137 Å²	137	83%	0.832	76%	0.757	S	S	*	*			trans	-79.2	150.3	-167.9	-65.5	171.6	148.9	0	0	114.8
38	M	34.8	Very low	35.2	Very low	173 Å²	173	133.2 Å²	133.2	85%	0.852	75%	0.746	S	S	*	*			trans	47.2	122.5	136.9	-55.5	174.4	90.1	0	0	120.9
39	S	29.5	Very low	36.3	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	73%	0.734	S	S	*	*				-179	140.5	116.9	40.4	0	0	0	0	114.8
40	A	32	Very low	37.6	Very low	94 Å²	94	127.7 Å²	127.7	78%	0.777	72%	0.724	S	S	*	*			trans	65.3	97.6	154.4	0	0	0	0	0	118.2
41	D	38.3	Very low	38.5	Very low	140 Å²	140	125.4 Å²	125.4	75%	0.749	70%	0.703	S	S	*	*				75.9	92.2	81.2	-160.4	0.3	0	0	0	112
42	D	33.3	Very low	39.2	Very low	153 Å²	153	123.5 Å²	123.5	82%	0.818	69%	0.689	S	S	*	*			trans	-145.1	89.5	151.1	-144.1	-64.5	0	0	0	107.1	K44	D42-K44 PolarHBondContact O-N 2.93Å
43	N	39.8	Very low	40.2	Very low	135 Å²	135	123 Å²	123	72%	0.722	67%	0.674	S	S	*	*			trans	-56.9	88	167.6	-102.9	-46.6	0	0	0	109.3	E45	N43-E45 PolarHBondContact O-N 3.35Å
44	K	44	Very low	41.5	Very low	164 Å²	164	117.8 Å²	117.8	71%	0.713	65%	0.652	S	S	*	*			trans	-78.9	74	161.6	-154.5	-178.8	-161.5	-165.5	0	108.1	D42 L46	D42-K44 PolarHBondContact O-N 2.93Å; K44-L46 HydrophobicContact CD-CD1 4.05Å; K44-L46 VanDerWaalsContact CE-CD1 3.48Å; K44-L46 HydrophobicContact CG-CB 4.35Å; K44-L46 HydrophobicContact CG-CD1 4.15Å; K44-L46 PolarHBondContact O-N 3.36Å
45	E	41.9	Very low	42.8	Very low	175 Å²	175	113 Å²	113	82%	0.818	62%	0.621	S	S	*	*			trans	-58.2	83.6	149.9	-75.9	-166.4	155.9	0	0	106.7	N43 S47	N43-E45 PolarHBondContact O-N 3.35Å; E45-S47 PolarHBondContact O-N 3.28Å
46	L	43.1	Very low	43.8	Very low	135 Å²	135	113.7 Å²	113.7	71%	0.707	61%	0.609	S	S	*	*			trans	-75.6	70	168.4	-156.7	83.2	0	0	0	107.5	K44 T48	K44-L46 HydrophobicContact CD-CD1 4.05Å; K44-L46 VanDerWaalsContact CE-CD1 3.48Å; K44-L46 HydrophobicContact CG-CB 4.35Å; K44-L46 HydrophobicContact CG-CD1 4.15Å; K44-L46 PolarHBondContact O-N 3.36Å; L46-T48 PolarHBondContact O-N 3.17Å
47	S	47.1	Very low	44.7	Very low	29 Å²	29	112 Å²	112	20%	0.203	59%	0.589	C	S	.	*			trans	28.6	81.5	149.7	-159	0	0	0	0	116.5	E45 Q49 D50	E45-S47 PolarHBondContact O-N 3.28Å; S47-Q49 PolarHBondContact O-N 3.41Å; S47-Q49 VanDerWaalsContact O-N 3.11Å; S47-Q49 VanDerWaalsContact OG-CB 3.29Å; S47-Q49 WeakPolarHBondContact OG-CB 3.38Å; S47-Q49 PolarHBondContact OG-N 2.84Å; S47-D50 PolarHBondContact O-N 2.67Å; S47-D50 VanDerWaalsContact O-N 3.15Å; S47-D50 PolarHBondContact OG-N 3.23Å; S47-D50 PolarHBondContact OG-OD2 2.97Å
48	T	49	Very low	45.9	Very low	101 Å²	101	106.5 Å²	106.5	62%	0.62	56%	0.563	S	S	*	*	H	α-helix	trans	-50.1	-24.2	149.3	49.6	0	0	0	0	111.4	L46 L52	L46-T48 PolarHBondContact O-N 3.17Å; T48-L52 WeakPolarHBondContact O-CD1 3.41Å; T48-L52 PolarHBondContact O-N 2.89Å
49	Q	51.1	Low	46.5	Very low	124 Å²	124	102.3 Å²	102.3	58%	0.579	55%	0.547	S	S	*	.	H	α-helix	trans	-68.4	-26.8	178.4	-148	-178.5	11.1	0	0	114.5	S47 L52 K53	S47-Q49 PolarHBondContact O-N 3.41Å; S47-Q49 VanDerWaalsContact O-N 3.11Å; S47-Q49 VanDerWaalsContact OG-CB 3.29Å; S47-Q49 WeakPolarHBondContact OG-CB 3.38Å; S47-Q49 PolarHBondContact OG-N 2.84Å; Q49-L52 VanDerWaalsContact O-CB 3.25Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.46Å; Q49-K53 PolarHBondContact O-N 3.44Å
50	D	52.9	Low	47.1	Very low	92 Å²	92	101.9 Å²	101.9	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-79.5	-41.4	178.4	-79.6	-27.8	0	0	0	111.8	S47 L52 K53 D54	S47-D50 PolarHBondContact O-N 2.67Å; S47-D50 VanDerWaalsContact O-N 3.15Å; S47-D50 PolarHBondContact OG-N 3.23Å; S47-D50 PolarHBondContact OG-OD2 2.97Å; D50-L52 PolarHBondContact O-N 3.2Å; D50-K53 PolarHBondContact O-N 3.41Å; D50-K53 IonicContact OD1-NZ 3.72Å; D50-D54 PolarHBondContact O-N 3.21Å
51	H	56.9	Low	47.8	Very low	64 Å²	64	100.2 Å²	100.2	30%	0.296	52%	0.518	S	S	.	.	H	α-helix	trans	-59.9	-33.1	168.6	-62.7	-77.9	0	0	0	111.3	K53 D54 L55 E119	H51-K53 PolarHBondContact O-N 3.43Å; H51-D54 PolarHBondContact O-N 2.92Å; H51-L55 WeakPolarHBondContact O-CD1 3.47Å; H51-L55 PolarHBondContact O-N 3.42Å; H51-L55 VanDerWaalsContact O-N 3.14Å; H51-E119 IonicContact CE1-OE1 3.45Å; H51-E119 PolarHBondContact CE1-OE1 3.43Å; H51-E119 VanDerWaalsContact CE1-OE1 3.25Å; H51-E119 IonicContact ND1-OE1 2.68Å; H51-E119 PolarHBondContact ND1-OE1 3.03Å
52	L	52.8	Low	48.3	Very low	70 Å²	70	97.6 Å²	97.6	37%	0.366	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-39.6	177.4	-112.1	73.3	0	0	0	114.1	T48 Q49 D50 L55 K56 Q104	T48-L52 WeakPolarHBondContact O-CD1 3.41Å; T48-L52 PolarHBondContact O-N 2.89Å; Q49-L52 VanDerWaalsContact O-CB 3.25Å; Q49-L52 WeakPolarHBondContact O-CB 3.48Å; Q49-L52 PolarHBondContact O-N 3.46Å; D50-L52 PolarHBondContact O-N 3.2Å; L52-L55 PolarHBondContact O-N 3.38Å; L52-K56 PolarHBondContact O-N 2.87Å; L52-Q104 HydrophobicContact CD1-CG 4.12Å; L52-Q104 VanDerWaalsContact CD1-NE2 3.33Å
53	K	55.1	Low	48.7	Very low	116 Å²	116	93.8 Å²	93.8	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-69.9	-38.5	179	-71.2	173.3	-170.2	156.8	0	110.6	Q49 D50 H51 L55 K56 T57	Q49-K53 PolarHBondContact O-N 3.44Å; D50-K53 PolarHBondContact O-N 3.41Å; D50-K53 IonicContact OD1-NZ 3.72Å; H51-K53 PolarHBondContact O-N 3.43Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.05Å; K53-K56 PolarHBondContact O-N 3.48Å; K53-T57 WeakPolarHBondContact O-CB 3.19Å; K53-T57 PolarHBondContact O-N 3.19Å; K53-T57 PolarHBondContact O-OG1 3.09Å
54	D	57.3	Low	48.7	Very low	61 Å²	61	90.7 Å²	90.7	33%	0.326	50%	0.499	S	S	.	.	H	α-helix	trans	-69.8	-26.2	177.7	-72.6	-13.7	0	0	0	113.3	D50 H51 T57 E58 R122 R123	D50-D54 PolarHBondContact O-N 3.21Å; H51-D54 PolarHBondContact O-N 2.92Å; D54-T57 WeakPolarHBondContact CA-OG1 3.26Å; D54-E58 WeakPolarHBondContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CG 3.27Å; D54-E58 PolarHBondContact O-N 2.98Å; D54-R122 PolarHBondContact O-NH1 3.24Å; D54-R123 IonicContact OD2-CZ 2.63Å; D54-R123 IonicContact OD2-NH2 2.95Å; D54-R123 PolarHBondContact OD2-NH2 2.97Å
55	L	52.8	Low	48.6	Very low	24 Å²	24	84.8 Å²	84.8	13%	0.126	48%	0.48	C	S	.	.	H	α-helix	trans	-68.9	-38.4	171.8	-94	74.9	0	0	0	112.3	H51 L52 K53 T59 M103 R122	H51-L55 WeakPolarHBondContact O-CD1 3.47Å; H51-L55 PolarHBondContact O-N 3.42Å; H51-L55 VanDerWaalsContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 3.38Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.05Å; L55-T59 WeakPolarHBondContact O-CG2 3.48Å; L55-T59 PolarHBondContact O-OG1 3.46Å; L55-M103 HydrophobicContact CD2-CE 3.43Å; L55-M103 VanDerWaalsContact CD2-CE 3.43Å; L55-M103 HydrophobicContact CD2-CG 4.24Å; L55-M103 HydrophobicContact CD2-SD 4.05Å; L55-M103 HydrophobicContact CG-CE 4.19Å; L55-R122 VanDerWaalsContact CA-NH1 3.3Å
56	K	50.1	Low	48.7	Very low	132 Å²	132	82 Å²	82	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-83.8	-39.8	-177.9	-147	159.6	-176.4	174.3	0	112.5	L52 K53 T59 E60	L52-K56 PolarHBondContact O-N 2.87Å; K53-K56 PolarHBondContact O-N 3.48Å; K56-T59 PolarHBondContact O-OG1 3Å; K56-E60 VanDerWaalsContact O-CB 3.25Å; K56-E60 WeakPolarHBondContact O-CB 3.4Å; K56-E60 VanDerWaalsContact O-CG 3.23Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.37Å
57	T	48.1	Very low	48.9	Very low	72 Å²	72	82.1 Å²	82.1	44%	0.442	47%	0.472	S	S	.	.	H	α-helix	trans	-75.2	-28.6	177.5	40.6	0	0	0	0	113.7	K53 D54 A61	K53-T57 WeakPolarHBondContact O-CB 3.19Å; K53-T57 PolarHBondContact O-N 3.19Å; K53-T57 PolarHBondContact O-OG1 3.09Å; D54-T57 WeakPolarHBondContact CA-OG1 3.26Å; T57-A61 WeakPolarHBondContact O-CA 3.32Å; T57-A61 WeakPolarHBondContact O-CB 3.49Å; T57-A61 PolarHBondContact O-N 2.94Å
58	E	53.8	Low	48.5	Very low	61 Å²	61	88.5 Å²	88.5	29%	0.285	50%	0.499	S	S	.	.	H	α-helix	trans	-78.1	-34.9	175.9	-70.6	177.7	-164.9	0	0	112.6	D54 A61 A62 R122 R123	D54-E58 WeakPolarHBondContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CG 3.27Å; D54-E58 PolarHBondContact O-N 2.98Å; E58-A61 PolarHBondContact O-N 3.34Å; E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 3.39Å; E58-R122 VanDerWaalsContact CD-CZ 3.43Å; E58-R122 IonicContact OE1-CZ 2.73Å; E58-R122 IonicContact OE1-NH2 2.89Å; E58-R122 PolarHBondContact OE1-NH2 2.87Å; E58-R122 IonicContact OE2-CZ 2.95Å; E58-R122 IonicContact OE2-NE 2.82Å; E58-R122 PolarHBondContact OE2-NE 3.26Å; E58-R122 IonicContact OE2-NH1 3.55Å; E58-R122 PolarHBondContact OE2-NH1 3.49Å; E58-R122 VanDerWaalsContact OE2-NH1 3.12Å; E58-R122 IonicContact OE2-NH2 3.51Å; E58-R122 PolarHBondContact OE2-NH2 2.91Å; E58-R123 IonicContact OE1-CZ 3.08Å; E58-R123 IonicContact OE1-NE 3.82Å; E58-R123 PolarHBondContact OE1-NE 2.75Å
59	T	47.2	Very low	48.1	Very low	86 Å²	86	91.4 Å²	91.4	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-40	171	44.5	0	0	0	0	110.9	L55 K56 A63	L55-T59 WeakPolarHBondContact O-CG2 3.48Å; L55-T59 PolarHBondContact O-OG1 3.46Å; K56-T59 PolarHBondContact O-OG1 3Å; T59-A63 WeakPolarHBondContact O-CB 3.49Å; T59-A63 PolarHBondContact O-N 3.46Å
60	E	42.2	Very low	47.4	Very low	111 Å²	111	94.9 Å²	94.9	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-68.7	-38.1	171.3	-74.8	174.3	173.4	0	0	112.6	K56 A62 A63 A64	K56-E60 VanDerWaalsContact O-CB 3.25Å; K56-E60 WeakPolarHBondContact O-CB 3.4Å; K56-E60 VanDerWaalsContact O-CG 3.23Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.37Å; E60-A62 PolarHBondContact O-N 2.89Å; E60-A63 CarbonylContact O-C 3.47Å; E60-A63 PolarHBondContact O-N 3.29Å; E60-A63 VanDerWaalsContact O-N 3.1Å; E60-A64 WeakPolarHBondContact O-CA 3.34Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.33Å
61	A	47.5	Very low	46.7	Very low	60 Å²	60	93.7 Å²	93.7	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-71.6	-28.8	177.4	0	0	0	0	0	112.9	T57 E58 A63 A65	T57-A61 WeakPolarHBondContact O-CA 3.32Å; T57-A61 WeakPolarHBondContact O-CB 3.49Å; T57-A61 PolarHBondContact O-N 2.94Å; E58-A61 PolarHBondContact O-N 3.34Å; A61-A63 VanDerWaalsContact C-N 3.31Å; A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 3.37Å
62	A	48.5	Very low	45.5	Very low	85 Å²	85	97.8 Å²	97.8	70%	0.702	56%	0.561	S	S	*	*	H	α-helix	trans	-68.8	-30.2	168.5	0	0	0	0	0	112.2	E58 E60	E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 3.39Å; E60-A62 PolarHBondContact O-N 2.89Å
63	A	41.4	Very low	45.1	Very low	72 Å²	72	100.3 Å²	100.3	60%	0.595	59%	0.585	S	S	*	*	H	α-helix	trans	-90	-30.3	177.7	0	0	0	0	0	114.3	T59 E60 A61	T59-A63 WeakPolarHBondContact O-CB 3.49Å; T59-A63 PolarHBondContact O-N 3.46Å; E60-A63 CarbonylContact O-C 3.47Å; E60-A63 PolarHBondContact O-N 3.29Å; E60-A63 VanDerWaalsContact O-N 3.1Å; A61-A63 VanDerWaalsContact C-N 3.31Å
64	A	39	Very low	44	Very low	70 Å²	70	98.3 Å²	98.3	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-90.3	-8.2	-175.7	0	0	0	0	0	112.9	E60 D66	E60-A64 WeakPolarHBondContact O-CA 3.34Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.33Å; A64-D66 PolarHBondContact O-N 3.09Å; A64-D66 VanDerWaalsContact O-N 3.08Å
65	A	42.6	Very low	43.1	Very low	40 Å²	40	104.6 Å²	104.6	33%	0.331	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	12.6	167.7	0	0	0	0	0	113.5	A61 Q145	A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 3.37Å; A65-Q145 PolarHBondContact O-NE2 3.1Å; A65-Q145 VanDerWaalsContact O-NE2 3.16Å
66	D	44.4	Very low	42.7	Very low	118 Å²	118	108.3 Å²	108.3	63%	0.631	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	3.1	-178.9	-163	44.4	0	0	0	114.1	A64	A64-D66 PolarHBondContact O-N 3.09Å; A64-D66 VanDerWaalsContact O-N 3.08Å
67	D	46.2	Very low	42.3	Very low	136 Å²	136	107.1 Å²	107.1	73%	0.727	66%	0.658	S	S	*	*			trans	-145.7	97.9	177.3	-154.9	39.1	0	0	0	110.6
68	E	40.1	Very low	41.8	Very low	164 Å²	164	109.7 Å²	109.7	77%	0.766	68%	0.679	S	S	*	*			trans	-166.2	113.5	144.4	-86.1	-46.6	149.4	0	0	108.9
69	E	39.7	Very low	41.5	Very low	162 Å²	162	116.8 Å²	116.8	76%	0.757	71%	0.709	S	S	*	*			trans	73.5	106.3	153.8	-62.7	-68.8	175.7	0	0	121.7
70	E	37	Very low	41.2	Very low	196 Å²	196	124 Å²	124	92%	0.916	73%	0.727	S	S	*	*				-161.6	121.4	105.1	-159.1	177.6	-168.8	0	0	111.1
71	G	37.1	Very low	41.2	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	74%	0.742	S	S	*	*			trans	-79.9	151.1	-176.5	0	0	0	0	0	116
72	T	33.7	Very low	41.2	Very low	150 Å²	150	133.8 Å²	133.8	92%	0.92	76%	0.763	S	S	*	*			trans	-153.5	142.6	146.1	-176.6	0	0	0	0	111.4
73	S	43.3	Very low	41.3	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	77%	0.766	S	S	*	*			trans	-72	151.1	-162.2	179	0	0	0	0	116.1
74	G	31.8	Very low	41.7	Very low	74 Å²	74	138 Å²	138	76%	0.763	76%	0.764	S	S	*	*			trans	140	100.4	151.6	0	0	0	0	0	117.6
75	Q	37.7	Very low	42.5	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	76%	0.759	S	S	*	*			trans	-75.5	177.3	164.7	-114.4	-171.2	-8.7	0	0	112
76	P	45.1	Very low	43	Very low	102 Å²	102	142 Å²	142	66%	0.662	77%	0.77	S	S	*	*			cis	-139.8	166.9	1.3	30.3	-6.2	0	0	0	118.6
77	S	42.5	Very low	43.3	Very low	107 Å²	107	142 Å²	142	75%	0.748	77%	0.765	S	S	*	*			trans	51.6	118.8	146.8	79.4	0	0	0	0	122.1
78	S	37.3	Very low	43.6	Very low	126 Å²	126	143.3 Å²	143.3	88%	0.881	76%	0.764	S	S	*	*				-157.8	136.7	128.1	-87.1	0	0	0	0	112.4
79	K	47.7	Very low	44.4	Very low	211 Å²	211	142.2 Å²	142.2	92%	0.917	76%	0.757	S	S	*	*			trans	-60	131	-173.4	-61.9	165.5	177.8	173.6	0	113
80	R	41.3	Very low	45.2	Very low	236 Å²	236	139.7 Å²	139.7	89%	0.891	75%	0.745	S	S	*	*			trans	-146.7	113.6	150.7	-77.8	-160.9	-179.9	179.9	1.1	113.2
81	L	40.8	Very low	46	Very low	161 Å²	161	137.9 Å²	137.9	84%	0.843	73%	0.734	S	S	*	*			trans	42.3	100.5	139.2	-61.7	163.5	0	0	0	118.4	V83	L81-V83 PolarHBondContact O-N 3.16Å
82	K	48.4	Very low	47.1	Very low	216 Å²	216	144.1 Å²	144.1	94%	0.939	74%	0.737	S	S	*	*			trans	-75.2	108	159.5	-81.5	172.6	170.2	178.2	0	109.8
83	V	49.3	Very low	48.3	Very low	125 Å²	125	142.3 Å²	142.3	76%	0.758	72%	0.718	S	S	*	*			trans	-142.4	116.3	159.9	-177.3	0	0	0	0	109.5	L81	L81-V83 PolarHBondContact O-N 3.16Å
84	E	51.1	Low	49.2	Very low	120 Å²	120	142.5 Å²	142.5	56%	0.561	70%	0.703	S	S	*	*			trans	26	89.9	169.2	-73.3	-150.9	119.8	0	0	121.3	K87	E84-K87 WeakPolarHBondContact OE1-CD 3.44Å; E84-K87 WeakPolarHBondContact OE1-CE 3.44Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 3.48Å; E84-K87 IonicContact OE2-NZ 3.23Å; E84-K87 PolarHBondContact OE2-NZ 3.12Å
85	P	54.7	Low	50.5	Low	74 Å²	74	142.7 Å²	142.7	48%	0.481	69%	0.689	S	S	.	*			trans	-90.4	-15.7	154.9	32.7	-31	0	0	0	114	K88 K89	P85-K88 PolarHBondContact O-N 3.07Å; P85-K89 WeakPolarHBondContact O-CG 3.27Å; P85-K89 PolarHBondContact O-N 3.32Å
86	E	53.4	Low	52.1	Low	120 Å²	120	137.6 Å²	137.6	56%	0.561	67%	0.668	S	S	*	*	H	α-helix	trans	-64.2	-52.6	-167.4	-62	-73	108.9	0	0	112.5	K88 K89 E90	E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.42Å; E86-K89 PolarHBondContact O-N 3.06Å; E86-E90 WeakPolarHBondContact O-CG 3.32Å; E86-E90 PolarHBondContact O-N 2.91Å
87	K	51	Low	53.4	Low	119 Å²	119	136.9 Å²	136.9	52%	0.517	66%	0.656	S	S	.	*	H	α-helix	trans	-65.8	-25	-177.1	-67.8	-176.3	-178.9	131.7	0	114.6	E84 K91	E84-K87 WeakPolarHBondContact OE1-CD 3.44Å; E84-K87 WeakPolarHBondContact OE1-CE 3.44Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 3.48Å; E84-K87 IonicContact OE2-NZ 3.23Å; E84-K87 PolarHBondContact OE2-NZ 3.12Å; K87-K91 WeakPolarHBondContact O-CG 3.37Å; K87-K91 PolarHBondContact O-N 3.34Å
88	K	51.9	Low	55.1	Low	163 Å²	163	135.9 Å²	135.9	71%	0.709	64%	0.642	S	S	*	*	H	α-helix	trans	-82.4	-33.7	177.2	-168.8	176.8	179.4	-178.5	0	111.4	P85 E86 R92	P85-K88 PolarHBondContact O-N 3.07Å; E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.42Å; K88-R92 WeakPolarHBondContact O-CG 3.43Å; K88-R92 PolarHBondContact O-N 3.11Å
89	K	57	Low	57	Low	141 Å²	141	135.5 Å²	135.5	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-44.3	172.3	-73.8	-177.4	175.9	-173.6	0	111.3	P85 E86 K91 R92 H93	P85-K89 WeakPolarHBondContact O-CG 3.27Å; P85-K89 PolarHBondContact O-N 3.32Å; E86-K89 PolarHBondContact O-N 3.06Å; K89-K91 VanDerWaalsContact C-N 3.34Å; K89-K91 PolarHBondContact O-N 3.04Å; K89-R92 PolarHBondContact O-N 3.47Å; K89-R92 VanDerWaalsContact O-N 3.16Å; K89-H93 WeakPolarHBondContact O-CB 3.45Å; K89-H93 PolarHBondContact O-N 3.41Å
90	E	57.3	Low	58.5	Low	109 Å²	109	128.1 Å²	128.1	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-58.4	-42.4	175.9	-74.6	179.4	164.9	0	0	112.6	E86 R92 H93 K94	E86-E90 WeakPolarHBondContact O-CG 3.32Å; E86-E90 PolarHBondContact O-N 2.91Å; E90-R92 PolarHBondContact O-N 3.19Å; E90-H93 PolarHBondContact O-N 3.02Å; E90-K94 WeakPolarHBondContact O-CB 3.27Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.4Å
91	K	54.6	Low	60.4	Low	159 Å²	159	121.9 Å²	121.9	69%	0.691	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-32.7	177.4	-74.9	-177.3	-179	-172.4	0	113.5	K87 K89 V95	K87-K91 WeakPolarHBondContact O-CG 3.37Å; K87-K91 PolarHBondContact O-N 3.34Å; K89-K91 VanDerWaalsContact C-N 3.34Å; K89-K91 PolarHBondContact O-N 3.04Å; K91-V95 VanDerWaalsContact O-CG2 3.29Å; K91-V95 WeakPolarHBondContact O-CG2 3.33Å; K91-V95 PolarHBondContact O-N 2.93Å
92	R	58.8	Low	62.5	Low	197 Å²	197	121.2 Å²	121.2	74%	0.743	57%	0.568	S	S	*	*	H	α-helix	trans	-74.1	-39.2	174.8	-70.3	-175	115	-140.4	0.4	111.7	K88 K89 E90 V95 D96	K88-R92 WeakPolarHBondContact O-CG 3.43Å; K88-R92 PolarHBondContact O-N 3.11Å; K89-R92 PolarHBondContact O-N 3.47Å; K89-R92 VanDerWaalsContact O-N 3.16Å; E90-R92 PolarHBondContact O-N 3.19Å; R92-V95 PolarHBondContact O-N 3.24Å; R92-D96 PolarHBondContact O-N 3.48Å
93	H	59.7	Low	64	Low	112 Å²	112	113.7 Å²	113.7	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-38.9	178.4	-166.6	-98.4	0	0	0	112.4	K89 E90 D96 E97	K89-H93 WeakPolarHBondContact O-CB 3.45Å; K89-H93 PolarHBondContact O-N 3.41Å; E90-H93 PolarHBondContact O-N 3.02Å; H93-D96 WeakPolarHBondContact O-CB 3.47Å; H93-D96 PolarHBondContact O-N 3.48Å; H93-E97 IonicContact CE1-OE1 3.18Å; H93-E97 PolarHBondContact CE1-OE1 2.92Å; H93-E97 IonicContact ND1-OE1 3.43Å; H93-E97 PolarHBondContact ND1-OE1 3.11Å; H93-E97 PolarHBondContact O-N 3.45Å; H93-E97 VanDerWaalsContact O-N 3.09Å
94	K	61.4	Low	65.4	Low	128 Å²	128	111.3 Å²	111.3	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-66.1	-36.9	176.4	-72.9	180	-179.2	-161.4	0	113.5	E90 D96 E97 D98	E90-K94 WeakPolarHBondContact O-CB 3.27Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.4Å; K94-D96 VanDerWaalsContact C-N 3.29Å; K94-D96 PolarHBondContact O-N 2.96Å; K94-E97 PolarHBondContact O-N 2.96Å; K94-D98 PolarHBondContact O-N 2.68Å; K94-D98 VanDerWaalsContact O-N 3.13Å
95	V	59.8	Low	67	Low	79 Å²	79	110.3 Å²	110.3	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-37	175.9	172.3	0	0	0	0	111	K91 R92 E99	K91-V95 VanDerWaalsContact O-CG2 3.29Å; K91-V95 WeakPolarHBondContact O-CG2 3.33Å; K91-V95 PolarHBondContact O-N 2.93Å; R92-V95 PolarHBondContact O-N 3.24Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.24Å; V95-E99 VanDerWaalsContact O-N 3.1Å
96	D	70.4	Confident	68.4	Low	84 Å²	84	111.3 Å²	111.3	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-42.6	176.3	-158	14.2	0	0	0	111.4	R92 H93 K94 D98 E99 I100	R92-D96 PolarHBondContact O-N 3.48Å; H93-D96 WeakPolarHBondContact O-CB 3.47Å; H93-D96 PolarHBondContact O-N 3.48Å; K94-D96 VanDerWaalsContact C-N 3.29Å; K94-D96 PolarHBondContact O-N 2.96Å; D96-D98 PolarHBondContact O-N 3.24Å; D96-E99 PolarHBondContact O-N 2.95Å; D96-I100 WeakPolarHBondContact O-CB 3.3Å; D96-I100 WeakPolarHBondContact O-CD1 3.43Å; D96-I100 WeakPolarHBondContact O-CG1 3.35Å; D96-I100 PolarHBondContact O-N 3.41Å
97	E	73.9	Confident	69.8	Low	88 Å²	88	106.8 Å²	106.8	41%	0.411	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.7	-72.4	-177.5	176.4	0	0	113	H93 K94 I100 Q101	H93-E97 IonicContact CE1-OE1 3.18Å; H93-E97 PolarHBondContact CE1-OE1 2.92Å; H93-E97 IonicContact ND1-OE1 3.43Å; H93-E97 PolarHBondContact ND1-OE1 3.11Å; H93-E97 PolarHBondContact O-N 3.45Å; H93-E97 VanDerWaalsContact O-N 3.09Å; K94-E97 PolarHBondContact O-N 2.96Å; E97-I100 PolarHBondContact O-N 2.89Å; E97-Q101 WeakPolarHBondContact O-CB 3.38Å; E97-Q101 VanDerWaalsContact O-CG 3.24Å; E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 3.27Å
98	D	77.1	Confident	71.3	Confident	86 Å²	86	105.3 Å²	105.3	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-37.4	177.8	-70.6	-27.1	0	0	0	112	K94 D96 K102	K94-D98 PolarHBondContact O-N 2.68Å; K94-D98 VanDerWaalsContact O-N 3.13Å; D96-D98 PolarHBondContact O-N 3.24Å; D98-K102 WeakPolarHBondContact O-CB 3.5Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.41Å; D98-K102 PolarHBondContact O-N 3.08Å
99	E	77.4	Confident	73.1	Confident	118 Å²	118	101.4 Å²	101.4	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-69	-41.6	175.1	-77.4	-176.1	-175.3	0	0	111.7	V95 D96 Q101 K102 M103	V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.24Å; V95-E99 VanDerWaalsContact O-N 3.1Å; D96-E99 PolarHBondContact O-N 2.95Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.43Å; E99-K102 PolarHBondContact O-N 2.91Å; E99-M103 VanDerWaalsContact O-CB 3.31Å; E99-M103 WeakPolarHBondContact O-CB 3.42Å; E99-M103 PolarHBondContact O-N 2.67Å
100	I	78.3	Confident	74.6	Confident	55 Å²	55	97.5 Å²	97.5	28%	0.282	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-44.9	174.4	-69.3	163.2	0	0	0	110.4	D96 E97 M103 Q104	D96-I100 WeakPolarHBondContact O-CB 3.3Å; D96-I100 WeakPolarHBondContact O-CD1 3.43Å; D96-I100 WeakPolarHBondContact O-CG1 3.35Å; D96-I100 PolarHBondContact O-N 3.41Å; E97-I100 PolarHBondContact O-N 2.89Å; I100-M103 PolarHBondContact O-N 2.76Å; I100-Q104 VanDerWaalsContact O-CB 3.3Å; I100-Q104 WeakPolarHBondContact O-CB 3.38Å; I100-Q104 PolarHBondContact O-N 3.49Å
101	Q	82.8	Confident	76.3	Confident	106 Å²	106	95 Å²	95	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-43.2	177.9	-73.8	172.7	23.9	0	0	111.9	E97 E99 Q104 V105	E97-Q101 WeakPolarHBondContact O-CB 3.38Å; E97-Q101 VanDerWaalsContact O-CG 3.24Å; E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 3.27Å; E99-Q101 VanDerWaalsContact C-N 3.35Å; E99-Q101 PolarHBondContact O-N 3.43Å; Q101-Q104 WeakPolarHBondContact O-CB 3.35Å; Q101-Q104 PolarHBondContact O-N 2.72Å; Q101-V105 WeakPolarHBondContact O-CG2 3.18Å; Q101-V105 PolarHBondContact O-N 3.49Å
102	K	83.7	Confident	78.1	Confident	147 Å²	147	95.7 Å²	95.7	64%	0.639	48%	0.482	S	S	*	.	H	α-helix	trans	-61.9	-44.7	175.2	-76	170	-173.8	168.7	0	111.8	D98 E99 Q104 V105 L106	D98-K102 WeakPolarHBondContact O-CB 3.5Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.41Å; D98-K102 PolarHBondContact O-N 3.08Å; E99-K102 PolarHBondContact O-N 2.91Å; K102-Q104 VanDerWaalsContact C-N 3.29Å; K102-Q104 PolarHBondContact O-N 3.33Å; K102-V105 PolarHBondContact O-N 3.49Å; K102-L106 WeakPolarHBondContact O-CB 3.35Å; K102-L106 PolarHBondContact O-N 2.99Å
103	M	80.1	Confident	79.7	Confident	57 Å²	57	92.4 Å²	92.4	28%	0.281	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-39	176	-179.2	171.1	47	0	0	110.8	L55 E99 I100 L106 V107 Y118	L55-M103 HydrophobicContact CD2-CE 3.43Å; L55-M103 VanDerWaalsContact CD2-CE 3.43Å; L55-M103 HydrophobicContact CD2-CG 4.24Å; L55-M103 HydrophobicContact CD2-SD 4.05Å; L55-M103 HydrophobicContact CG-CE 4.19Å; E99-M103 VanDerWaalsContact O-CB 3.31Å; E99-M103 WeakPolarHBondContact O-CB 3.42Å; E99-M103 PolarHBondContact O-N 2.67Å; I100-M103 PolarHBondContact O-N 2.76Å; M103-L106 PolarHBondContact O-N 3.48Å; M103-V107 HydrophobicContact CG-CG2 4.17Å; M103-V107 WeakPolarHBondContact O-CB 3.38Å; M103-V107 WeakPolarHBondContact O-CG2 3.29Å; M103-V107 PolarHBondContact O-N 3.15Å; M103-Y118 PolarHBondContact SD-OH 3.37Å
104	Q	79.7	Confident	81.3	Confident	75 Å²	75	91.1 Å²	91.1	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-48.7	177.4	-176.5	-179.9	8.3	0	0	112.1	L52 I100 Q101 K102 L106 V107 S108	L52-Q104 HydrophobicContact CD1-CG 4.12Å; L52-Q104 VanDerWaalsContact CD1-NE2 3.33Å; I100-Q104 VanDerWaalsContact O-CB 3.3Å; I100-Q104 WeakPolarHBondContact O-CB 3.38Å; I100-Q104 PolarHBondContact O-N 3.49Å; Q101-Q104 WeakPolarHBondContact O-CB 3.35Å; Q101-Q104 PolarHBondContact O-N 2.72Å; K102-Q104 VanDerWaalsContact C-N 3.29Å; K102-Q104 PolarHBondContact O-N 3.33Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 2.86Å; Q104-V107 PolarHBondContact O-N 3.49Å; Q104-S108 WeakPolarHBondContact O-CB 3.5Å; Q104-S108 PolarHBondContact O-N 3.32Å; Q104-S108 PolarHBondContact O-OG 3.09Å
105	V	84.6	Confident	82.7	Confident	100 Å²	100	87 Å²	87	61%	0.606	45%	0.453	S	S	*	.	H	α-helix	trans	-58.7	-43.9	176.3	173.2	0	0	0	0	110.3	Q101 K102 S108 S109	Q101-V105 WeakPolarHBondContact O-CG2 3.18Å; Q101-V105 PolarHBondContact O-N 3.49Å; K102-V105 PolarHBondContact O-N 3.49Å; V105-S108 PolarHBondContact O-N 3.13Å; V105-S108 PolarHBondContact O-OG 2.92Å; V105-S109 PolarHBondContact O-N 3.13Å
106	L	83.1	Confident	84.3	Confident	94 Å²	94	88 Å²	88	49%	0.492	46%	0.456	S	S	.	.	H	α-helix	trans	-63.5	-50.8	179.4	-175.4	64.3	0	0	0	112.1	K102 M103 Q104 S108 S109 F110	K102-L106 WeakPolarHBondContact O-CB 3.35Å; K102-L106 PolarHBondContact O-N 2.99Å; M103-L106 PolarHBondContact O-N 3.48Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 2.86Å; L106-S108 VanDerWaalsContact C-N 3.26Å; L106-S108 PolarHBondContact O-N 3.42Å; L106-S109 PolarHBondContact O-N 2.9Å; L106-S109 PolarHBondContact O-OG 2.92Å; L106-F110 HydrophobicContact CD1-CE1 3.73Å; L106-F110 HydrophobicContact CD1-CZ 4.36Å; L106-F110 HydrophobicContact CD2-CE1 4.24Å; L106-F110 HydrophobicContact CD2-CZ 4.04Å; L106-F110 HydrophobicContact CG-CD1 4.48Å; L106-F110 HydrophobicContact CG-CE1 3.55Å; L106-F110 HydrophobicContact CG-CZ 3.73Å; L106-F110 VanDerWaalsContact O-CD1 3.3Å; L106-F110 WeakPolarHBondContact O-CD1 3.47Å; L106-F110 PolarHBondContact O-N 3.08Å
107	V	83.6	Confident	85.4	Confident	25 Å²	25	90.2 Å²	90.2	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-60.5	-36.4	179.6	171.7	0	0	0	0	111.3	M103 Q104 S109 F110 L115 Y118	M103-V107 HydrophobicContact CG-CG2 4.17Å; M103-V107 WeakPolarHBondContact O-CB 3.38Å; M103-V107 WeakPolarHBondContact O-CG2 3.29Å; M103-V107 PolarHBondContact O-N 3.15Å; Q104-V107 PolarHBondContact O-N 3.49Å; V107-S109 PolarHBondContact O-N 3.3Å; V107-F110 HydrophobicContact CG2-CE2 4.33Å; V107-F110 PolarHBondContact O-N 3.05Å; V107-L115 HydrophobicContact CG1-CD1 3.65Å; V107-Y118 HydrophobicContact CG2-CD1 4.09Å; V107-Y118 HydrophobicContact CG2-CE1 3.72Å
108	S	82.8	Confident	86.3	Confident	88 Å²	88	88.7 Å²	88.7	62%	0.615	45%	0.448	S	S	*	.	H	α-helix	trans	-67.9	-20.3	176.1	72.4	0	0	0	0	114.2	Q104 V105 L106	Q104-S108 WeakPolarHBondContact O-CB 3.5Å; Q104-S108 PolarHBondContact O-N 3.32Å; Q104-S108 PolarHBondContact O-OG 3.09Å; V105-S108 PolarHBondContact O-N 3.13Å; V105-S108 PolarHBondContact O-OG 2.92Å; L106-S108 VanDerWaalsContact C-N 3.26Å; L106-S108 PolarHBondContact O-N 3.42Å
109	S	88.4	Confident	87	Confident	82 Å²	82	86.8 Å²	86.8	57%	0.573	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.3	-179.5	71.2	0	0	0	0	113.9	V105 L106 V107	V105-S109 PolarHBondContact O-N 3.13Å; L106-S109 PolarHBondContact O-N 2.9Å; L106-S109 PolarHBondContact O-OG 2.92Å; V107-S109 PolarHBondContact O-N 3.3Å
110	F	89.5	Confident	87.8	Confident	58 Å²	58	87.4 Å²	87.4	25%	0.254	44%	0.441	S	S	.	.			trans	-73.7	145.8	-180	-75.5	-9.6	0	0	0	112.4	L106 V107 Q114 L115 Y118	L106-F110 HydrophobicContact CD1-CE1 3.73Å; L106-F110 HydrophobicContact CD1-CZ 4.36Å; L106-F110 HydrophobicContact CD2-CE1 4.24Å; L106-F110 HydrophobicContact CD2-CZ 4.04Å; L106-F110 HydrophobicContact CG-CD1 4.48Å; L106-F110 HydrophobicContact CG-CE1 3.55Å; L106-F110 HydrophobicContact CG-CZ 3.73Å; L106-F110 VanDerWaalsContact O-CD1 3.3Å; L106-F110 WeakPolarHBondContact O-CD1 3.47Å; L106-F110 PolarHBondContact O-N 3.08Å; V107-F110 HydrophobicContact CG2-CE2 4.33Å; V107-F110 PolarHBondContact O-N 3.05Å; F110-Q114 HydrophobicContact CB-CB 4Å; F110-Q114 HydrophobicContact CD2-CB 4.39Å; F110-Q114 HydrophobicContact CG-CB 4.09Å; F110-L115 HydrophobicContact CB-CB 4.25Å; F110-Y118 HydrophobicContact CE2-CD1 4.23Å; F110-Y118 AromaticContact CE2-CG 3.96Å; F110-Y118 HydrophobicContact CE2-CG 3.96Å
111	S	93.6	Very high	88.6	Confident	56 Å²	56	92 Å²	92	39%	0.392	46%	0.456	S	S	.	.			trans	-64.2	156.2	159.7	60.5	0	0	0	0	110.3	E113 Q114 L115	S111-E113 PolarHBondContact O-N 3.08Å; S111-Q114 WeakPolarHBondContact O-CB 3.46Å; S111-Q114 PolarHBondContact O-N 3.11Å; S111-Q114 WeakPolarHBondContact OG-CB 3.47Å; S111-Q114 WeakPolarHBondContact OG-CG 3.33Å; S111-Q114 PolarHBondContact OG-N 2.95Å; S111-Q114 PolarHBondContact OG-OE1 2.63Å; S111-L115 PolarHBondContact O-N 3.04Å
112	E	92.3	Very high	89.1	Confident	174 Å²	174	89.2 Å²	89.2	81%	0.813	44%	0.441	S	S	*	.	H	α-helix	trans	-53.9	-40.6	179.3	-173.6	179.3	-178.5	0	0	112.3	L115 N116	E112-L115 PolarHBondContact O-N 3.34Å; E112-N116 WeakPolarHBondContact O-CB 3.38Å; E112-N116 PolarHBondContact O-N 3.28Å
113	E	91.6	Very high	89.5	Confident	128 Å²	128	86.9 Å²	86.9	60%	0.598	43%	0.428	S	S	*	.	H	α-helix	trans	-67.2	-39.7	178.2	-159.1	-160.7	-179.5	0	0	112.2	S111 R117	S111-E113 PolarHBondContact O-N 3.08Å; E113-R117 WeakPolarHBondContact O-CG 3.49Å; E113-R117 PolarHBondContact O-N 3.06Å; E113-R117 IonicContact OE1-NH1 2.74Å; E113-R117 PolarHBondContact OE1-NH1 2.92Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 3.28Å; E113-R117 PolarHBondContact OE2-NH1 3.31Å; E113-R117 IonicContact OE2-NH2 3.71Å
114	Q	92.4	Very high	90.2	Very high	85 Å²	85	86.7 Å²	86.7	40%	0.397	43%	0.433	S	S	.	.	H	α-helix	trans	-68.1	-40.6	176.1	-74.9	167.2	-36.2	0	0	111.8	F110 S111 R117 Y118	F110-Q114 HydrophobicContact CB-CB 4Å; F110-Q114 HydrophobicContact CD2-CB 4.39Å; F110-Q114 HydrophobicContact CG-CB 4.09Å; S111-Q114 WeakPolarHBondContact O-CB 3.46Å; S111-Q114 PolarHBondContact O-N 3.11Å; S111-Q114 WeakPolarHBondContact OG-CB 3.47Å; S111-Q114 WeakPolarHBondContact OG-CG 3.33Å; S111-Q114 PolarHBondContact OG-N 2.95Å; S111-Q114 PolarHBondContact OG-OE1 2.63Å; Q114-R117 PolarHBondContact O-N 2.97Å; Q114-Y118 WeakPolarHBondContact O-CB 3.5Å; Q114-Y118 PolarHBondContact O-N 3.34Å
115	L	91.6	Very high	91	Very high	43 Å²	43	87.2 Å²	87.2	23%	0.225	45%	0.45	C	S	.	.	H	α-helix	trans	-60	-50.7	175.9	-179.4	62.6	0	0	0	110.4	V107 F110 S111 E112 R117 Y118 E119	V107-L115 HydrophobicContact CG1-CD1 3.65Å; F110-L115 HydrophobicContact CB-CB 4.25Å; S111-L115 PolarHBondContact O-N 3.04Å; E112-L115 PolarHBondContact O-N 3.34Å; L115-R117 PolarHBondContact O-N 3.06Å; L115-Y118 PolarHBondContact O-N 2.97Å; L115-Y118 VanDerWaalsContact O-N 3.14Å; L115-E119 HydrophobicContact CD1-CG 4.29Å; L115-E119 HydrophobicContact CG-CG 4.49Å; L115-E119 WeakPolarHBondContact O-CG 3.18Å; L115-E119 PolarHBondContact O-N 3.27Å
116	N	93.8	Very high	91.5	Very high	99 Å²	99	86.1 Å²	86.1	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-58.4	-46.6	178	-173.7	5.7	0	0	0	111.8	E112 Y118 E119 M120	E112-N116 WeakPolarHBondContact O-CB 3.38Å; E112-N116 PolarHBondContact O-N 3.28Å; N116-Y118 VanDerWaalsContact C-N 3.33Å; N116-Y118 PolarHBondContact O-N 3.48Å; N116-E119 PolarHBondContact O-N 2.95Å; N116-M120 WeakPolarHBondContact O-CB 3.34Å; N116-M120 VanDerWaalsContact O-CG 3.27Å; N116-M120 WeakPolarHBondContact O-CG 3.18Å; N116-M120 PolarHBondContact O-N 2.7Å
117	R	93.6	Very high	92.2	Very high	130 Å²	130	85.9 Å²	85.9	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-59.4	-42.9	175.1	-75.4	-167.3	-62.6	-104.1	-2.9	112.5	E113 Q114 L115 Y121	E113-R117 WeakPolarHBondContact O-CG 3.49Å; E113-R117 PolarHBondContact O-N 3.06Å; E113-R117 IonicContact OE1-NH1 2.74Å; E113-R117 PolarHBondContact OE1-NH1 2.92Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 3.28Å; E113-R117 PolarHBondContact OE2-NH1 3.31Å; E113-R117 IonicContact OE2-NH2 3.71Å; Q114-R117 PolarHBondContact O-N 2.97Å; L115-R117 PolarHBondContact O-N 3.06Å; R117-Y121 WeakPolarHBondContact O-CB 3.27Å; R117-Y121 PolarHBondContact O-N 3.3Å
118	Y	92.1	Very high	92.7	Very high	56 Å²	56	89.7 Å²	89.7	22%	0.22	46%	0.455	C	S	.	.	H	α-helix	trans	-65.7	-44	179	176.5	-110.6	0	0	0	112.1	M103 V107 F110 Q114 L115 N116 M120 Y121 R122	M103-Y118 PolarHBondContact SD-OH 3.37Å; V107-Y118 HydrophobicContact CG2-CD1 4.09Å; V107-Y118 HydrophobicContact CG2-CE1 3.72Å; F110-Y118 HydrophobicContact CE2-CD1 4.23Å; F110-Y118 AromaticContact CE2-CG 3.96Å; F110-Y118 HydrophobicContact CE2-CG 3.96Å; Q114-Y118 WeakPolarHBondContact O-CB 3.5Å; Q114-Y118 PolarHBondContact O-N 3.34Å; L115-Y118 PolarHBondContact O-N 2.97Å; L115-Y118 VanDerWaalsContact O-N 3.14Å; N116-Y118 VanDerWaalsContact C-N 3.33Å; N116-Y118 PolarHBondContact O-N 3.48Å; Y118-M120 VanDerWaalsContact C-N 3.34Å; Y118-M120 PolarHBondContact O-N 3.49Å; Y118-Y121 HydrophobicContact CD2-CD1 4.25Å; Y118-Y121 HydrophobicContact CE2-CD1 4.35Å; Y118-Y121 PolarHBondContact O-N 3.4Å; Y118-R122 WeakPolarHBondContact O-CB 3.42Å; Y118-R122 PolarHBondContact O-N 3.48Å
119	E	92.6	Very high	93.4	Very high	46 Å²	46	88 Å²	88	22%	0.215	45%	0.447	C	S	.	.	H	α-helix	trans	-61	-44.2	177.2	-73.6	-154.4	128	0	0	111.9	H51 L115 N116 R122 R123	H51-E119 IonicContact CE1-OE1 3.45Å; H51-E119 PolarHBondContact CE1-OE1 3.43Å; H51-E119 VanDerWaalsContact CE1-OE1 3.25Å; H51-E119 IonicContact ND1-OE1 2.68Å; H51-E119 PolarHBondContact ND1-OE1 3.03Å; L115-E119 HydrophobicContact CD1-CG 4.29Å; L115-E119 HydrophobicContact CG-CG 4.49Å; L115-E119 WeakPolarHBondContact O-CG 3.18Å; L115-E119 PolarHBondContact O-N 3.27Å; N116-E119 PolarHBondContact O-N 2.95Å; E119-R122 PolarHBondContact O-N 2.89Å; E119-R123 WeakPolarHBondContact O-CB 3.07Å; E119-R123 PolarHBondContact O-N 2.96Å; E119-R123 IonicContact OE1-CZ 2.9Å; E119-R123 IonicContact OE1-NH1 3.12Å; E119-R123 PolarHBondContact OE1-NH1 3.42Å; E119-R123 IonicContact OE1-NH2 2.85Å; E119-R123 IonicContact OE2-NH1 3.47Å
120	M	94.4	Very high	93.8	Very high	132 Å²	132	86.5 Å²	86.5	65%	0.65	44%	0.44	S	S	*	.	H	α-helix	trans	-62.8	-42.9	175.4	-68.8	-65.8	-88.4	0	0	111.4	N116 Y118 S124	N116-M120 WeakPolarHBondContact O-CB 3.34Å; N116-M120 VanDerWaalsContact O-CG 3.27Å; N116-M120 WeakPolarHBondContact O-CG 3.18Å; N116-M120 PolarHBondContact O-N 2.7Å; Y118-M120 VanDerWaalsContact C-N 3.34Å; Y118-M120 PolarHBondContact O-N 3.49Å; M120-S124 WeakPolarHBondContact O-CB 3.2Å; M120-S124 PolarHBondContact O-N 3.46Å; M120-S124 PolarHBondContact O-OG 2.95Å
121	Y	93.9	Very high	94.2	Very high	152 Å²	152	84.9 Å²	84.9	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-49.6	174.6	163.7	-107.6	0	0	0	112.1	R117 Y118 S124 K156	R117-Y121 WeakPolarHBondContact O-CB 3.27Å; R117-Y121 PolarHBondContact O-N 3.3Å; Y118-Y121 HydrophobicContact CD2-CD1 4.25Å; Y118-Y121 HydrophobicContact CE2-CD1 4.35Å; Y118-Y121 PolarHBondContact O-N 3.4Å; Y121-S124 PolarHBondContact O-N 3.01Å; Y121-S124 PolarHBondContact O-OG 3.12Å; Y121-K156 PolarHBondContact O-NZ 2.98Å
122	R	93.4	Very high	94.3	Very high	47 Å²	47	86.4 Å²	86.4	18%	0.177	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-49.8	-176.6	-170.4	-176.2	73.1	126.3	3.3	111.2	D54 L55 E58 Y118 E119 S124 K156	D54-R122 PolarHBondContact O-NH1 3.24Å; L55-R122 VanDerWaalsContact CA-NH1 3.3Å; E58-R122 VanDerWaalsContact CD-CZ 3.43Å; E58-R122 IonicContact OE1-CZ 2.73Å; E58-R122 IonicContact OE1-NH2 2.89Å; E58-R122 PolarHBondContact OE1-NH2 2.87Å; E58-R122 IonicContact OE2-CZ 2.95Å; E58-R122 IonicContact OE2-NE 2.82Å; E58-R122 PolarHBondContact OE2-NE 3.26Å; E58-R122 IonicContact OE2-NH1 3.55Å; E58-R122 PolarHBondContact OE2-NH1 3.49Å; E58-R122 VanDerWaalsContact OE2-NH1 3.12Å; E58-R122 IonicContact OE2-NH2 3.51Å; E58-R122 PolarHBondContact OE2-NH2 2.91Å; Y118-R122 WeakPolarHBondContact O-CB 3.42Å; Y118-R122 PolarHBondContact O-N 3.48Å; E119-R122 PolarHBondContact O-N 2.89Å; R122-S124 VanDerWaalsContact C-N 3.34Å; R122-S124 PolarHBondContact O-N 3.28Å; R122-K156 PolarHBondContact O-NZ 3.14Å
123	R	93.2	Very high	94.5	Very high	97 Å²	97	86.6 Å²	86.6	37%	0.366	43%	0.426	S	S	.	.	H	α-helix	trans	-79.3	-12.8	-177.2	-63.5	-172.3	177.6	101.1	-8.5	113.9	D54 E58 E119 A125	D54-R123 IonicContact OD2-CZ 2.63Å; D54-R123 IonicContact OD2-NH2 2.95Å; D54-R123 PolarHBondContact OD2-NH2 2.97Å; E58-R123 IonicContact OE1-CZ 3.08Å; E58-R123 IonicContact OE1-NE 3.82Å; E58-R123 PolarHBondContact OE1-NE 2.75Å; E119-R123 WeakPolarHBondContact O-CB 3.07Å; E119-R123 PolarHBondContact O-N 2.96Å; E119-R123 IonicContact OE1-CZ 2.9Å; E119-R123 IonicContact OE1-NH1 3.12Å; E119-R123 PolarHBondContact OE1-NH1 3.42Å; E119-R123 IonicContact OE1-NH2 2.85Å; E119-R123 IonicContact OE2-NH1 3.47Å; R123-A125 PolarHBondContact O-N 2.96Å
124	S	94.7	Very high	94.8	Very high	54 Å²	54	85.2 Å²	85.2	38%	0.378	42%	0.423	S	S	.	.			trans	-62.2	125.2	177.3	65.6	0	0	0	0	111.6	M120 Y121 R122 K156	M120-S124 WeakPolarHBondContact O-CB 3.2Å; M120-S124 PolarHBondContact O-N 3.46Å; M120-S124 PolarHBondContact O-OG 2.95Å; Y121-S124 PolarHBondContact O-N 3.01Å; Y121-S124 PolarHBondContact O-OG 3.12Å; R122-S124 VanDerWaalsContact C-N 3.34Å; R122-S124 PolarHBondContact O-N 3.28Å; S124-K156 WeakPolarHBondContact O-CE 3.44Å; S124-K156 PolarHBondContact O-NZ 3.49Å; S124-K156 WeakPolarHBondContact OG-CE 3.49Å; S124-K156 PolarHBondContact OG-NZ 3.47Å
125	A	95.6	Very high	95	Very high	85 Å²	85	82.4 Å²	82.4	70%	0.702	41%	0.41	S	S	*	.			trans	-152.6	152.4	176	0	0	0	0	0	110.2	R123	R123-A125 PolarHBondContact O-N 2.96Å
126	F	96	Very high	95.3	Very high	78 Å²	78	83.5 Å²	83.5	34%	0.342	41%	0.414	S	S	.	.			trans	-77.4	138.1	172.8	-66.3	-68	0	0	0	110.9	K128 I131 A155 K156 V159	F126-K128 PolarHBondContact O-N 3.18Å; F126-K128 VanDerWaalsContact O-N 3.09Å; F126-I131 HydrophobicContact CB-CD1 3.84Å; F126-I131 HydrophobicContact CB-CG1 3.65Å; F126-I131 HydrophobicContact CG-CD1 4.14Å; F126-I131 HydrophobicContact CG-CG1 4.47Å; F126-A155 HydrophobicContact CD2-CB 4Å; F126-A155 HydrophobicContact CE2-CB 3.53Å; F126-A155 HydrophobicContact CZ-CB 4.34Å; F126-K156 HydrophobicContact CE2-CB 4.46Å; F126-V159 HydrophobicContact CZ-CG2 4.11Å
127	P	96.6	Very high	95.5	Very high	89 Å²	89	83.2 Å²	83.2	58%	0.578	42%	0.42	S	S	*	.			trans	-59.7	115.7	173.8	-23.9	33.7	0	0	0	111.2	A129 A130 I131	P127-A129 PolarHBondContact O-N 3.1Å; P127-A129 VanDerWaalsContact O-N 3.09Å; P127-A130 HydrophobicContact CB-CB 4.24Å; P127-A130 WeakPolarHBondContact O-CB 3.05Å; P127-A130 PolarHBondContact O-N 3.49Å; P127-I131 PolarHBondContact O-N 2.65Å
128	K	94.6	Very high	95.6	Very high	104 Å²	104	83.3 Å²	83.3	45%	0.452	43%	0.429	S	S	.	.	H	α-helix	trans	-52	-38.1	-176.7	-67.5	179.2	-179	170.9	0	112.6	F126 I131 K132 V148	F126-K128 PolarHBondContact O-N 3.18Å; F126-K128 VanDerWaalsContact O-N 3.09Å; K128-I131 PolarHBondContact O-N 2.94Å; K128-K132 VanDerWaalsContact O-CB 3.27Å; K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 2.82Å; K128-V148 HydrophobicContact CB-CG1 3.95Å; K128-V148 HydrophobicContact CG-CG1 4.25Å; K128-V148 WeakPolarHBondContact O-CG1 3.37Å
129	A	96.5	Very high	95.8	Very high	53 Å²	53	84.6 Å²	84.6	44%	0.438	44%	0.443	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178.2	0	0	0	0	0	113.3	P127 R133	P127-A129 PolarHBondContact O-N 3.1Å; P127-A129 VanDerWaalsContact O-N 3.09Å; A129-R133 WeakPolarHBondContact O-CB 3.47Å; A129-R133 VanDerWaalsContact O-CG 3.26Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 2.74Å
130	A	97.2	Very high	95.9	Very high	51 Å²	51	85.8 Å²	85.8	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-69.2	-44.8	178.1	0	0	0	0	0	110.9	P127 R133 L134	P127-A130 HydrophobicContact CB-CB 4.24Å; P127-A130 WeakPolarHBondContact O-CB 3.05Å; P127-A130 PolarHBondContact O-N 3.49Å; A130-R133 PolarHBondContact O-N 3.36Å; A130-L134 WeakPolarHBondContact O-CB 3.45Å; A130-L134 PolarHBondContact O-N 3.39Å
131	I	97.4	Very high	95.9	Very high	23 Å²	23	82.9 Å²	82.9	12%	0.118	46%	0.46	C	S	.	.	H	α-helix	trans	-62	-46.8	176.1	-60.6	-59.4	0	0	0	110.7	F126 P127 K128 R133 L134 I135 V148 M151	F126-I131 HydrophobicContact CB-CD1 3.84Å; F126-I131 HydrophobicContact CB-CG1 3.65Å; F126-I131 HydrophobicContact CG-CD1 4.14Å; F126-I131 HydrophobicContact CG-CG1 4.47Å; P127-I131 PolarHBondContact O-N 2.65Å; K128-I131 PolarHBondContact O-N 2.94Å; I131-R133 PolarHBondContact O-N 2.98Å; I131-L134 PolarHBondContact O-N 3.09Å; I131-I135 HydrophobicContact CG2-CD1 3.67Å; I131-I135 HydrophobicContact CG2-CG1 4.27Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.02Å; I131-I135 PolarHBondContact O-N 2.95Å; I131-V148 HydrophobicContact CB-CG1 4.13Å; I131-V148 HydrophobicContact CG2-CG1 4.02Å; I131-M151 HydrophobicContact CG2-CB 4.33Å; I131-M151 HydrophobicContact CG2-CG 4.34Å
132	K	97.1	Very high	96	Very high	89 Å²	89	81 Å²	81	39%	0.387	47%	0.469	S	S	.	.	H	α-helix	trans	-56.9	-48.9	177.1	-171.8	174.8	-176.7	176.1	0	111.5	K128 L134 I135 Q136 V148	K128-K132 VanDerWaalsContact O-CB 3.27Å; K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 2.82Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-L134 PolarHBondContact O-N 3.39Å; K132-I135 PolarHBondContact O-N 3.35Å; K132-Q136 HydrophobicContact CG-CG 4.36Å; K132-Q136 VanDerWaalsContact O-CB 3.32Å; K132-Q136 WeakPolarHBondContact O-CB 3.44Å; K132-Q136 WeakPolarHBondContact O-CG 3.24Å; K132-Q136 PolarHBondContact O-N 3.04Å; K132-V148 HydrophobicContact CB-CG2 3.9Å; K132-V148 HydrophobicContact CG-CG2 4.13Å
133	R	97.1	Very high	96.1	Very high	177 Å²	177	80 Å²	80	67%	0.668	47%	0.466	S	S	*	.	H	α-helix	trans	-59.8	-43.3	177.5	-74.3	174.6	-170.5	142.4	1.5	112.2	A129 A130 I131 Q136 S137	A129-R133 WeakPolarHBondContact O-CB 3.47Å; A129-R133 VanDerWaalsContact O-CG 3.26Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 2.74Å; A130-R133 PolarHBondContact O-N 3.36Å; I131-R133 PolarHBondContact O-N 2.98Å; R133-Q136 PolarHBondContact O-N 2.97Å; R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.22Å
134	L	97.3	Very high	96.2	Very high	100 Å²	100	78.6 Å²	78.6	52%	0.524	47%	0.472	S	S	.	.	H	α-helix	trans	-61.6	-51	178.6	178.3	61.8	0	0	0	111.3	A130 I131 K132 Q136 S137 I138	A130-L134 WeakPolarHBondContact O-CB 3.45Å; A130-L134 PolarHBondContact O-N 3.39Å; I131-L134 PolarHBondContact O-N 3.09Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-L134 PolarHBondContact O-N 3.39Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.35Å; L134-S137 PolarHBondContact O-N 3.24Å; L134-S137 PolarHBondContact O-OG 3.18Å; L134-I138 HydrophobicContact CD1-CD1 4.27Å; L134-I138 HydrophobicContact CG-CD1 4.43Å; L134-I138 PolarHBondContact O-N 2.92Å
135	I	97.1	Very high	96.3	Very high	26 Å²	26	80.6 Å²	80.6	13%	0.133	48%	0.475	C	S	.	.	H	α-helix	trans	-65.7	-40.3	-178.7	-50.2	161.3	0	0	0	110.1	I131 K132 S137 I138 T139 I143 M151	I131-I135 HydrophobicContact CG2-CD1 3.67Å; I131-I135 HydrophobicContact CG2-CG1 4.27Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.02Å; I131-I135 PolarHBondContact O-N 2.95Å; K132-I135 PolarHBondContact O-N 3.35Å; I135-S137 VanDerWaalsContact C-N 3.32Å; I135-S137 PolarHBondContact O-N 3.02Å; I135-I138 PolarHBondContact O-N 3.13Å; I135-I138 VanDerWaalsContact O-N 3.17Å; I135-T139 PolarHBondContact O-N 3.35Å; I135-T139 PolarHBondContact O-OG1 2.93Å; I135-I143 HydrophobicContact CB-CD1 3.41Å; I135-I143 VanDerWaalsContact CB-CD1 3.41Å; I135-I143 HydrophobicContact CG2-CD1 3.22Å; I135-M151 HydrophobicContact CD1-CB 3.96Å; I135-M151 HydrophobicContact CD1-CG 3.91Å; I135-M151 HydrophobicContact CG1-CG 4.46Å
136	Q	97.1	Very high	96.3	Very high	65 Å²	65	81.2 Å²	81.2	30%	0.304	47%	0.467	S	S	.	.	H	α-helix	trans	-62.2	-37.8	175.9	-73.7	-178.2	-38.6	0	0	112.6	K132 R133 L134 I138 G140 S141 I143	K132-Q136 HydrophobicContact CG-CG 4.36Å; K132-Q136 VanDerWaalsContact O-CB 3.32Å; K132-Q136 WeakPolarHBondContact O-CB 3.44Å; K132-Q136 WeakPolarHBondContact O-CG 3.24Å; K132-Q136 PolarHBondContact O-N 3.04Å; R133-Q136 PolarHBondContact O-N 2.97Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.35Å; Q136-I138 PolarHBondContact O-N 2.95Å; Q136-G140 WeakPolarHBondContact O-CA 3.33Å; Q136-G140 PolarHBondContact O-N 3.37Å; Q136-S141 WeakPolarHBondContact CG-O 3.23Å; Q136-I143 HydrophobicContact CB-CD1 4.4Å; Q136-I143 HydrophobicContact CG-CB 4.49Å; Q136-I143 HydrophobicContact CG-CD1 3.69Å; Q136-I143 HydrophobicContact CG-CG1 3.91Å
137	S	97.6	Very high	96.4	Very high	94 Å²	94	80.5 Å²	80.5	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-64.4	-24.8	177.6	74.5	0	0	0	0	113.4	R133 L134 I135	R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.22Å; L134-S137 PolarHBondContact O-N 3.24Å; L134-S137 PolarHBondContact O-OG 3.18Å; I135-S137 VanDerWaalsContact C-N 3.32Å; I135-S137 PolarHBondContact O-N 3.02Å
138	I	96.7	Very high	96.4	Very high	132 Å²	132	76.5 Å²	76.5	68%	0.677	44%	0.442	S	S	*	.	H	α-helix	trans	-90.9	-45.7	178.8	-61.9	166.2	0	0	0	110.5	L134 I135 Q136	L134-I138 HydrophobicContact CD1-CD1 4.27Å; L134-I138 HydrophobicContact CG-CD1 4.43Å; L134-I138 PolarHBondContact O-N 2.92Å; I135-I138 PolarHBondContact O-N 3.13Å; I135-I138 VanDerWaalsContact O-N 3.17Å; Q136-I138 PolarHBondContact O-N 2.95Å
139	T	95.9	Very high	96.5	Very high	83 Å²	83	75 Å²	75	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-82.3	-27.7	-174.4	-52.5	0	0	0	0	113.2	I135 S141	I135-T139 PolarHBondContact O-N 3.35Å; I135-T139 PolarHBondContact O-OG1 2.93Å; T139-S141 PolarHBondContact O-N 3.38Å
140	G	94.8	Very high	96.5	Very high	70 Å²	70	75 Å²	75	72%	0.722	44%	0.439	S	S	*	.			trans	74.7	5.7	-176.8	0	0	0	0	0	115.2	Q136	Q136-G140 WeakPolarHBondContact O-CA 3.33Å; Q136-G140 PolarHBondContact O-N 3.37Å
141	S	94.4	Very high	96.5	Very high	72 Å²	72	76.7 Å²	76.7	50%	0.503	44%	0.439	S	S	.	.	S	Bend	trans	-125.7	164.2	-175.1	-63.6	0	0	0	0	112.1	Q136 T139	Q136-S141 WeakPolarHBondContact CG-O 3.23Å; T139-S141 PolarHBondContact O-N 3.38Å
142	S	94.7	Very high	96.5	Very high	112 Å²	112	76.3 Å²	76.3	78%	0.783	44%	0.438	S	S	*	.			trans	-66.8	149.8	171	59.1	0	0	0	0	111.4
143	I	96.7	Very high	96.5	Very high	25 Å²	25	73.9 Å²	73.9	13%	0.128	44%	0.438	C	S	.	.			trans	-134.6	136.6	-172.6	-55.2	177.5	0	0	0	108.9	I135 Q136 V147 V148	I135-I143 HydrophobicContact CB-CD1 3.41Å; I135-I143 VanDerWaalsContact CB-CD1 3.41Å; I135-I143 HydrophobicContact CG2-CD1 3.22Å; Q136-I143 HydrophobicContact CB-CD1 4.4Å; Q136-I143 HydrophobicContact CG-CB 4.49Å; Q136-I143 HydrophobicContact CG-CD1 3.69Å; Q136-I143 HydrophobicContact CG-CG1 3.91Å; I143-V147 HydrophobicContact CG2-CB 3.67Å; I143-V147 HydrophobicContact CG2-CG1 3.61Å; I143-V147 HydrophobicContact CG2-CG2 4.41Å; I143-V148 HydrophobicContact CG2-CG2 4.41Å
144	S	96.1	Very high	96.4	Very high	69 Å²	69	70.9 Å²	70.9	48%	0.483	43%	0.434	S	S	.	.			trans	-73.3	155.3	178.4	63.9	0	0	0	0	112.4	N146 V147 V148	S144-N146 VanDerWaalsContact C-N 3.29Å; S144-N146 PolarHBondContact O-N 3.43Å; S144-V147 PolarHBondContact O-N 3.08Å; S144-V147 WeakPolarHBondContact OG-CG2 3.37Å; S144-V148 PolarHBondContact O-N 3.15Å
145	Q	95.4	Very high	96.4	Very high	96 Å²	96	67.5 Å²	67.5	45%	0.449	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-37.5	179.2	176.3	161.5	-38.6	0	0	112.5	A65 V147 V148 I149	A65-Q145 PolarHBondContact O-NE2 3.1Å; A65-Q145 VanDerWaalsContact O-NE2 3.16Å; Q145-V147 VanDerWaalsContact C-N 3.28Å; Q145-V147 PolarHBondContact O-N 3.28Å; Q145-V148 CarbonylContact O-C 3.6Å; Q145-V148 WeakPolarHBondContact O-CA 3.45Å; Q145-V148 WeakPolarHBondContact O-CB 3.33Å; Q145-V148 PolarHBondContact O-N 3.2Å; Q145-I149 HydrophobicContact CG-CD1 3.9Å; Q145-I149 HydrophobicContact CG-CG1 4.32Å; Q145-I149 WeakPolarHBondContact O-CG1 3.48Å; Q145-I149 PolarHBondContact O-N 2.93Å
146	N	96.6	Very high	96.4	Very high	98 Å²	98	69.1 Å²	69.1	52%	0.524	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-35.1	-179.4	-66.3	-7	0	0	0	112.4	S144 V148 I149 A150	S144-N146 VanDerWaalsContact C-N 3.29Å; S144-N146 PolarHBondContact O-N 3.43Å; N146-V148 VanDerWaalsContact C-N 3.34Å; N146-I149 PolarHBondContact O-N 2.88Å; N146-A150 WeakPolarHBondContact O-CB 3.38Å; N146-A150 PolarHBondContact O-N 2.95Å
147	V	96.8	Very high	96.3	Very high	63 Å²	63	70.2 Å²	70.2	38%	0.382	44%	0.438	S	S	.	.	H	α-helix	trans	-66.4	-39.7	172.8	173.8	0	0	0	0	110.8	I143 S144 Q145 A150 M151	I143-V147 HydrophobicContact CG2-CB 3.67Å; I143-V147 HydrophobicContact CG2-CG1 3.61Å; I143-V147 HydrophobicContact CG2-CG2 4.41Å; S144-V147 PolarHBondContact O-N 3.08Å; S144-V147 WeakPolarHBondContact OG-CG2 3.37Å; Q145-V147 VanDerWaalsContact C-N 3.28Å; Q145-V147 PolarHBondContact O-N 3.28Å; V147-A150 PolarHBondContact O-N 3.24Å; V147-M151 VanDerWaalsContact O-CB 3.27Å; V147-M151 WeakPolarHBondContact O-CB 3.4Å; V147-M151 PolarHBondContact O-N 3.11Å
148	V	97.4	Very high	96.2	Very high	4 Å²	4	70 Å²	70	2%	0.024	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.5	178.7	0	0	0	0	111.1	K128 I131 K132 I143 S144 Q145 N146 S152	K128-V148 HydrophobicContact CB-CG1 3.95Å; K128-V148 HydrophobicContact CG-CG1 4.25Å; K128-V148 WeakPolarHBondContact O-CG1 3.37Å; I131-V148 HydrophobicContact CB-CG1 4.13Å; I131-V148 HydrophobicContact CG2-CG1 4.02Å; K132-V148 HydrophobicContact CB-CG2 3.9Å; K132-V148 HydrophobicContact CG-CG2 4.13Å; I143-V148 HydrophobicContact CG2-CG2 4.41Å; S144-V148 PolarHBondContact O-N 3.15Å; Q145-V148 CarbonylContact O-C 3.6Å; Q145-V148 WeakPolarHBondContact O-CA 3.45Å; Q145-V148 WeakPolarHBondContact O-CB 3.33Å; Q145-V148 PolarHBondContact O-N 3.2Å; N146-V148 VanDerWaalsContact C-N 3.34Å; V148-S152 VanDerWaalsContact O-CB 3.3Å; V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 2.89Å; V148-S152 PolarHBondContact O-OG 3.41Å
149	I	96.4	Very high	96.1	Very high	73 Å²	73	67 Å²	67	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-51	176.3	-66.3	167.9	0	0	0	110.2	Q145 N146 M151 S152 G153	Q145-I149 HydrophobicContact CG-CD1 3.9Å; Q145-I149 HydrophobicContact CG-CG1 4.32Å; Q145-I149 WeakPolarHBondContact O-CG1 3.48Å; Q145-I149 PolarHBondContact O-N 2.93Å; N146-I149 PolarHBondContact O-N 2.88Å; I149-M151 PolarHBondContact O-N 2.82Å; I149-S152 PolarHBondContact O-N 3.41Å; I149-G153 PolarHBondContact O-N 3.36Å
150	A	97.7	Very high	96.1	Very high	54 Å²	54	64.3 Å²	64.3	45%	0.446	40%	0.402	S	S	.	.	H	α-helix	trans	-59.1	-47	179.8	0	0	0	0	0	111.7	N146 V147 S152 G153 I154	N146-A150 WeakPolarHBondContact O-CB 3.38Å; N146-A150 PolarHBondContact O-N 2.95Å; V147-A150 PolarHBondContact O-N 3.24Å; A150-S152 VanDerWaalsContact C-N 3.35Å; A150-S152 PolarHBondContact O-N 2.83Å; A150-G153 PolarHBondContact O-N 3.39Å; A150-I154 WeakPolarHBondContact O-CG1 3.5Å; A150-I154 PolarHBondContact O-N 3.04Å
151	M	97.2	Very high	96.1	Very high	85 Å²	85	64.4 Å²	64.4	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.9	-168.1	62.9	65.6	0	0	111.9	I131 I135 V147 I149 G153 I154 A155	I131-M151 HydrophobicContact CG2-CB 4.33Å; I131-M151 HydrophobicContact CG2-CG 4.34Å; I135-M151 HydrophobicContact CD1-CB 3.96Å; I135-M151 HydrophobicContact CD1-CG 3.91Å; I135-M151 HydrophobicContact CG1-CG 4.46Å; V147-M151 VanDerWaalsContact O-CB 3.27Å; V147-M151 WeakPolarHBondContact O-CB 3.4Å; V147-M151 PolarHBondContact O-N 3.11Å; I149-M151 PolarHBondContact O-N 2.82Å; M151-G153 VanDerWaalsContact C-N 3.33Å; M151-G153 PolarHBondContact O-N 3.4Å; M151-I154 PolarHBondContact O-N 3.14Å; M151-A155 VanDerWaalsContact O-CB 3.27Å; M151-A155 WeakPolarHBondContact O-CB 3.39Å; M151-A155 PolarHBondContact O-N 2.85Å
152	S	96.9	Very high	96.2	Very high	16 Å²	16	62 Å²	62	11%	0.112	36%	0.364	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.4	-56.8	0	0	0	0	111.5	V148 I149 A150 K156	V148-S152 VanDerWaalsContact O-CB 3.3Å; V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 2.89Å; V148-S152 PolarHBondContact O-OG 3.41Å; I149-S152 PolarHBondContact O-N 3.41Å; A150-S152 VanDerWaalsContact C-N 3.35Å; A150-S152 PolarHBondContact O-N 2.83Å; S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 PolarHBondContact O-N 2.93Å
153	G	96.5	Very high	96.3	Very high	37 Å²	37	59.3 Å²	59.3	38%	0.381	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-49.8	176.2	0	0	0	0	0	112.5	I149 A150 M151 A155 K156 V157	I149-G153 PolarHBondContact O-N 3.36Å; A150-G153 PolarHBondContact O-N 3.39Å; M151-G153 VanDerWaalsContact C-N 3.33Å; M151-G153 PolarHBondContact O-N 3.4Å; G153-A155 VanDerWaalsContact C-N 3.31Å; G153-A155 PolarHBondContact O-N 2.73Å; G153-K156 WeakPolarHBondContact O-CB 3.39Å; G153-K156 PolarHBondContact O-N 3.01Å; G153-K156 VanDerWaalsContact O-N 3.11Å; G153-V157 WeakPolarHBondContact O-CG2 3.47Å; G153-V157 PolarHBondContact O-N 3.46Å
154	I	95.6	Very high	96.3	Very high	114 Å²	114	64.4 Å²	64.4	59%	0.585	37%	0.367	S	S	*	.	H	α-helix	trans	-60.3	-43.3	177.4	-64.9	164.3	0	0	0	110.6	A150 M151 K156 V157 F158	A150-I154 WeakPolarHBondContact O-CG1 3.5Å; A150-I154 PolarHBondContact O-N 3.04Å; M151-I154 PolarHBondContact O-N 3.14Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 2.99Å; I154-V157 PolarHBondContact O-N 3.22Å; I154-F158 WeakPolarHBondContact O-CB 3.49Å; I154-F158 PolarHBondContact O-N 2.74Å
155	A	96.7	Very high	96.3	Very high	29 Å²	29	61.8 Å²	61.8	24%	0.24	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-36.8	176.4	0	0	0	0	0	112.4	F126 M151 G153 F158 V159	F126-A155 HydrophobicContact CD2-CB 4Å; F126-A155 HydrophobicContact CE2-CB 3.53Å; F126-A155 HydrophobicContact CZ-CB 4.34Å; M151-A155 VanDerWaalsContact O-CB 3.27Å; M151-A155 WeakPolarHBondContact O-CB 3.39Å; M151-A155 PolarHBondContact O-N 2.85Å; G153-A155 VanDerWaalsContact C-N 3.31Å; G153-A155 PolarHBondContact O-N 2.73Å; A155-F158 PolarHBondContact O-N 2.89Å; A155-V159 WeakPolarHBondContact O-CG2 3.23Å; A155-V159 PolarHBondContact O-N 3.25Å
156	K	96.3	Very high	96.4	Very high	61 Å²	61	57.2 Å²	57.2	27%	0.265	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177.2	-177.9	174.4	179.9	170.9	0	110.9	Y121 R122 S124 F126 S152 G153 I154 F158 V159 G160	Y121-K156 PolarHBondContact O-NZ 2.98Å; R122-K156 PolarHBondContact O-NZ 3.14Å; S124-K156 WeakPolarHBondContact O-CE 3.44Å; S124-K156 PolarHBondContact O-NZ 3.49Å; S124-K156 WeakPolarHBondContact OG-CE 3.49Å; S124-K156 PolarHBondContact OG-NZ 3.47Å; F126-K156 HydrophobicContact CE2-CB 4.46Å; S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 PolarHBondContact O-N 2.93Å; G153-K156 WeakPolarHBondContact O-CB 3.39Å; G153-K156 PolarHBondContact O-N 3.01Å; G153-K156 VanDerWaalsContact O-N 3.11Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 2.99Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 3Å; K156-V159 PolarHBondContact O-N 2.83Å; K156-G160 PolarHBondContact O-N 3.27Å
157	V	95.2	Very high	96.4	Very high	88 Å²	88	56.5 Å²	56.5	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-47.6	175	175.6	0	0	0	0	110.3	G153 I154 V159 G160 E161	G153-V157 WeakPolarHBondContact O-CG2 3.47Å; G153-V157 PolarHBondContact O-N 3.46Å; I154-V157 PolarHBondContact O-N 3.22Å; V157-V159 VanDerWaalsContact C-N 3.33Å; V157-V159 PolarHBondContact O-N 3.44Å; V157-G160 WeakPolarHBondContact O-CA 3.25Å; V157-G160 PolarHBondContact O-N 3Å; V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.27Å; V157-E161 PolarHBondContact O-N 3.44Å
158	F	95.5	Very high	96.4	Very high	88 Å²	88	56.5 Å²	56.5	39%	0.386	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-42	178.4	177.7	-105.9	0	0	0	113.3	I154 A155 K156 I162 I197	I154-F158 WeakPolarHBondContact O-CB 3.49Å; I154-F158 PolarHBondContact O-N 2.74Å; A155-F158 PolarHBondContact O-N 2.89Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 3Å; F158-I162 HydrophobicContact CD1-CD1 3.92Å; F158-I162 HydrophobicContact CD2-CD1 4.3Å; F158-I162 HydrophobicContact CE1-CD1 3.41Å; F158-I162 VanDerWaalsContact CE1-CD1 3.41Å; F158-I162 HydrophobicContact CE2-CD1 3.85Å; F158-I162 HydrophobicContact CG-CD1 4.35Å; F158-I162 HydrophobicContact CZ-CD1 3.39Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.26Å; F158-I197 HydrophobicContact CD2-CD1 4.46Å; F158-I197 HydrophobicContact CD2-CG1 4.46Å; F158-I197 HydrophobicContact CE2-CD1 3.69Å; F158-I197 HydrophobicContact CE2-CG1 3.96Å; F158-I197 HydrophobicContact CE2-CG2 4Å; F158-I197 HydrophobicContact CZ-CD1 4.43Å
159	V	96.3	Very high	96.3	Very high	69 Å²	69	56.3 Å²	56.3	42%	0.418	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-41.1	175.1	172.6	0	0	0	0	111.1	F126 A155 K156 V157 I162 V163	F126-V159 HydrophobicContact CZ-CG2 4.11Å; A155-V159 WeakPolarHBondContact O-CG2 3.23Å; A155-V159 PolarHBondContact O-N 3.25Å; K156-V159 PolarHBondContact O-N 2.83Å; V157-V159 VanDerWaalsContact C-N 3.33Å; V157-V159 PolarHBondContact O-N 3.44Å; V159-I162 PolarHBondContact O-N 3.27Å; V159-V163 HydrophobicContact CG1-CG2 4.15Å; V159-V163 WeakPolarHBondContact O-CB 3.5Å; V159-V163 VanDerWaalsContact O-CG2 3.29Å; V159-V163 WeakPolarHBondContact O-CG2 3.34Å; V159-V163 PolarHBondContact O-N 2.74Å
160	G	95.8	Very high	96.3	Very high	27 Å²	27	53 Å²	53	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-56.4	-53.3	176.5	0	0	0	0	0	112.2	K156 V157 I162 V163 E164	K156-G160 PolarHBondContact O-N 3.27Å; V157-G160 WeakPolarHBondContact O-CA 3.25Å; V157-G160 PolarHBondContact O-N 3Å; G160-I162 VanDerWaalsContact C-N 3.29Å; G160-I162 PolarHBondContact O-N 2.61Å; G160-V163 PolarHBondContact O-N 3.45Å; G160-V163 VanDerWaalsContact O-N 3.11Å; G160-E164 WeakPolarHBondContact O-CB 3.18Å; G160-E164 WeakPolarHBondContact O-CG 3.08Å; G160-E164 PolarHBondContact O-N 2.68Å
161	E	94.9	Very high	96.3	Very high	73 Å²	73	57.8 Å²	57.8	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-56.7	-41.7	178.8	-68.2	174.9	163	0	0	112.4	V157 E165	V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.27Å; V157-E161 PolarHBondContact O-N 3.44Å; E161-E165 PolarHBondContact O-N 3.44Å; E161-E165 VanDerWaalsContact O-N 3.11Å
162	I	96.5	Very high	96.2	Very high	20 Å²	20	59.5 Å²	59.5	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-43.4	177.9	-70.2	171.1	0	0	0	111.4	F158 V159 G160 A166 L184 V188 L191 I197	F158-I162 HydrophobicContact CD1-CD1 3.92Å; F158-I162 HydrophobicContact CD2-CD1 4.3Å; F158-I162 HydrophobicContact CE1-CD1 3.41Å; F158-I162 VanDerWaalsContact CE1-CD1 3.41Å; F158-I162 HydrophobicContact CE2-CD1 3.85Å; F158-I162 HydrophobicContact CG-CD1 4.35Å; F158-I162 HydrophobicContact CZ-CD1 3.39Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.26Å; V159-I162 PolarHBondContact O-N 3.27Å; G160-I162 VanDerWaalsContact C-N 3.29Å; G160-I162 PolarHBondContact O-N 2.61Å; I162-A166 WeakPolarHBondContact O-CB 3.21Å; I162-A166 PolarHBondContact O-N 3.35Å; I162-L184 HydrophobicContact CG2-CD2 3.73Å; I162-V188 HydrophobicContact CD1-CG2 3.86Å; I162-V188 HydrophobicContact CG1-CG2 4.07Å; I162-V188 HydrophobicContact CG2-CG2 4.09Å; I162-L191 HydrophobicContact CB-CD1 4.48Å; I162-L191 HydrophobicContact CG1-CD1 3.83Å; I162-I197 HydrophobicContact CG1-CD1 4.43Å
163	V	96.8	Very high	96.1	Very high	56 Å²	56	64.1 Å²	64.1	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-68.4	-41	-178.4	170.9	0	0	0	0	110.7	V159 G160 A166 L167 L179	V159-V163 HydrophobicContact CG1-CG2 4.15Å; V159-V163 WeakPolarHBondContact O-CB 3.5Å; V159-V163 VanDerWaalsContact O-CG2 3.29Å; V159-V163 WeakPolarHBondContact O-CG2 3.34Å; V159-V163 PolarHBondContact O-N 2.74Å; G160-V163 PolarHBondContact O-N 3.45Å; G160-V163 VanDerWaalsContact O-N 3.11Å; V163-A166 PolarHBondContact O-N 3.2Å; V163-L167 HydrophobicContact CG1-CD1 4.3Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.89Å; V163-L179 HydrophobicContact CG1-CD1 4.11Å
164	E	95.3	Very high	96.1	Very high	133 Å²	133	65.6 Å²	65.6	62%	0.621	35%	0.35	S	S	*	.	H	α-helix	trans	-59.6	-52.4	174.8	-73.2	175.5	-171.3	0	0	111.2	G160 A166 L167 D168	G160-E164 WeakPolarHBondContact O-CB 3.18Å; G160-E164 WeakPolarHBondContact O-CG 3.08Å; G160-E164 PolarHBondContact O-N 2.68Å; E164-A166 PolarHBondContact O-N 2.79Å; E164-L167 PolarHBondContact O-N 3.43Å; E164-D168 PolarHBondContact O-N 3.15Å; E164-D168 VanDerWaalsContact O-N 3.08Å
165	E	96.8	Very high	96	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.065	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-29.7	177.5	-175.4	71.5	-153.7	0	0	111.8	E161 D168 V169 A187 R190 L191 R194	E161-E165 PolarHBondContact O-N 3.44Å; E161-E165 VanDerWaalsContact O-N 3.11Å; E165-D168 VanDerWaalsContact O-CB 3.23Å; E165-D168 WeakPolarHBondContact O-CB 3.47Å; E165-D168 PolarHBondContact O-N 3.48Å; E165-V169 VanDerWaalsContact O-CG2 3.24Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.37Å; E165-A187 HydrophobicContact CB-CB 3.97Å; E165-A187 HydrophobicContact CG-CB 3.92Å; E165-R190 HydrophobicContact CG-CB 4.27Å; E165-R190 WeakPolarHBondContact OE1-CD 3.47Å; E165-R190 IonicContact OE1-NH1 3.06Å; E165-R190 PolarHBondContact OE1-NH1 3.2Å; E165-L191 HydrophobicContact CB-CD1 4.28Å; E165-L191 HydrophobicContact CB-CD2 4.32Å; E165-L191 HydrophobicContact CB-CG 4.24Å; E165-L191 HydrophobicContact CG-CG 4.27Å; E165-R194 IonicContact OE1-CZ 3.25Å; E165-R194 IonicContact OE1-NH1 3.78Å; E165-R194 IonicContact OE1-NH2 2.93Å; E165-R194 PolarHBondContact OE1-NH2 3.03Å; E165-R194 IonicContact OE2-CZ 3.79Å; E165-R194 IonicContact OE2-NH1 3.6Å; E165-R194 PolarHBondContact OE2-NH1 2.92Å; E165-R194 IonicContact OE2-NH2 2.94Å; E165-R194 PolarHBondContact OE2-NH2 3.18Å
166	A	97.6	Very high	95.7	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-70.5	-36.1	176.3	0	0	0	0	0	112.8	I162 V163 E164 D168 V169 C170 L179 H183 L184 A187	I162-A166 WeakPolarHBondContact O-CB 3.21Å; I162-A166 PolarHBondContact O-N 3.35Å; V163-A166 PolarHBondContact O-N 3.2Å; E164-A166 PolarHBondContact O-N 2.79Å; A166-D168 VanDerWaalsContact C-N 3.34Å; A166-V169 PolarHBondContact O-N 3.2Å; A166-C170 WeakPolarHBondContact O-CB 3.06Å; A166-C170 PolarHBondContact O-N 3.34Å; A166-L179 HydrophobicContact CB-CD1 3.94Å; A166-L179 HydrophobicContact CB-CD2 4.06Å; A166-L179 WeakPolarHBondContact O-CD2 3.25Å; A166-H183 HydrophobicContact CB-CB 4.34Å; A166-L184 HydrophobicContact CB-CD2 3.88Å; A166-A187 HydrophobicContact CB-CB 3.84Å
167	L	96.3	Very high	95.4	Very high	82 Å²	82	68.4 Å²	68.4	43%	0.429	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-43.9	171.7	-71.7	168.9	0	0	0	110.4	V163 E164 V169 C170 E171 L179	V163-L167 HydrophobicContact CG1-CD1 4.3Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.89Å; E164-L167 PolarHBondContact O-N 3.43Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.33Å; L167-C170 WeakPolarHBondContact O-CB 3.37Å; L167-C170 PolarHBondContact O-N 2.78Å; L167-C170 VanDerWaalsContact O-N 3.13Å; L167-E171 PolarHBondContact O-N 3.47Å; L167-L179 HydrophobicContact CD2-CD1 4.31Å; L167-L179 HydrophobicContact CD2-CD2 3.95Å; L167-L179 HydrophobicContact CD2-CG 4.19Å; L167-L179 HydrophobicContact CG-CD1 4.35Å; L167-L179 HydrophobicContact CG-CD2 4.36Å
168	D	96.3	Very high	95.3	Very high	64 Å²	64	69.3 Å²	69.3	34%	0.342	38%	0.382	S	S	.	.	H	α-helix	trans	-55.4	-43.2	172.8	-113.2	47.6	0	0	0	112.9	E164 E165 A166 K172	E164-D168 PolarHBondContact O-N 3.15Å; E164-D168 VanDerWaalsContact O-N 3.08Å; E165-D168 VanDerWaalsContact O-CB 3.23Å; E165-D168 WeakPolarHBondContact O-CB 3.47Å; E165-D168 PolarHBondContact O-N 3.48Å; A166-D168 VanDerWaalsContact C-N 3.34Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 VanDerWaalsContact O-CD 3.27Å; D168-K172 WeakPolarHBondContact O-CD 3.31Å; D168-K172 WeakPolarHBondContact O-CG 3.3Å; D168-K172 PolarHBondContact O-N 3.5Å; D168-K172 VanDerWaalsContact O-N 3.1Å; D168-K172 IonicContact OD2-NZ 3.87Å; D168-K172 PolarHBondContact OD2-NZ 3.11Å
169	V	96.8	Very high	95.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-45	175.4	170.4	0	0	0	0	110.9	E165 A166 L167 K172 W173 H183 E186	E165-V169 VanDerWaalsContact O-CG2 3.24Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.37Å; A166-V169 PolarHBondContact O-N 3.2Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.33Å; V169-K172 PolarHBondContact O-N 3.48Å; V169-W173 HydrophobicContact CG1-CD2 3.78Å; V169-W173 HydrophobicContact CG1-CE3 3.9Å; V169-W173 HydrophobicContact CG1-CG 4.41Å; V169-W173 HydrophobicContact CG1-CH2 4.02Å; V169-W173 HydrophobicContact CG1-CZ2 3.91Å; V169-W173 HydrophobicContact CG1-CZ3 4Å; V169-W173 WeakPolarHBondContact O-CB 3.37Å; V169-W173 PolarHBondContact O-N 3Å; V169-H183 HydrophobicContact CG1-CB 4.42Å; V169-E186 HydrophobicContact CB-CG 4.47Å; V169-E186 HydrophobicContact CG1-CB 4.06Å; V169-E186 HydrophobicContact CG1-CG 3.77Å; V169-E186 HydrophobicContact CG2-CB 4.35Å; V169-E186 HydrophobicContact CG2-CG 3.75Å
170	C	96.3	Very high	95.4	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.02	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-49.6	-180	-165.3	0	0	0	0	110.7	A166 L167 W173 G174 D175 L179 H183	A166-C170 WeakPolarHBondContact O-CB 3.06Å; A166-C170 PolarHBondContact O-N 3.34Å; L167-C170 WeakPolarHBondContact O-CB 3.37Å; L167-C170 PolarHBondContact O-N 2.78Å; L167-C170 VanDerWaalsContact O-N 3.13Å; C170-W173 PolarHBondContact O-N 3.15Å; C170-G174 PolarHBondContact O-N 2.82Å; C170-D175 PolarHBondContact O-N 3.36Å; C170-D175 PolarHBondContact SG-O 3.4Å; C170-L179 HydrophobicContact CB-CD2 4.01Å; C170-H183 VanDerWaalsContact SG-CE1 3.54Å
171	E	95.9	Very high	95.4	Very high	154 Å²	154	71.3 Å²	71.3	72%	0.72	39%	0.389	S	S	*	.	H	α-helix	trans	-62.6	-46.5	177.8	-174.7	-179.7	-176.1	0	0	111.8	L167 W173 G174	L167-E171 PolarHBondContact O-N 3.47Å; E171-W173 PolarHBondContact O-N 2.81Å; E171-G174 PolarHBondContact O-N 2.97Å
172	K	95.6	Very high	95.5	Very high	121 Å²	121	71.2 Å²	71.2	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-24.8	178.2	-75.5	165.6	-175.7	148.9	0	113.3	D168 V169	D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 VanDerWaalsContact O-CD 3.27Å; D168-K172 WeakPolarHBondContact O-CD 3.31Å; D168-K172 WeakPolarHBondContact O-CG 3.3Å; D168-K172 PolarHBondContact O-N 3.5Å; D168-K172 VanDerWaalsContact O-N 3.1Å; D168-K172 IonicContact OD2-NZ 3.87Å; D168-K172 PolarHBondContact OD2-NZ 3.11Å; V169-K172 PolarHBondContact O-N 3.48Å
173	W	95.9	Very high	95.5	Very high	114 Å²	114	70.3 Å²	70.3	43%	0.432	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.5	176.9	-69.9	-1.5	0	0	0	113.1	V169 C170 E171 D175 K182 H183 E186	V169-W173 HydrophobicContact CG1-CD2 3.78Å; V169-W173 HydrophobicContact CG1-CE3 3.9Å; V169-W173 HydrophobicContact CG1-CG 4.41Å; V169-W173 HydrophobicContact CG1-CH2 4.02Å; V169-W173 HydrophobicContact CG1-CZ2 3.91Å; V169-W173 HydrophobicContact CG1-CZ3 4Å; V169-W173 WeakPolarHBondContact O-CB 3.37Å; V169-W173 PolarHBondContact O-N 3Å; C170-W173 PolarHBondContact O-N 3.15Å; E171-W173 PolarHBondContact O-N 2.81Å; W173-D175 PolarHBondContact O-N 3.42Å; W173-K182 HydrophobicContact CE3-CD 4.23Å; W173-K182 HydrophobicContact CZ3-CB 4.14Å; W173-K182 HydrophobicContact CZ3-CD 3.83Å; W173-K182 HydrophobicContact CZ3-CG 4.13Å; W173-H183 AromaticContact CE3-CD2 3.61Å; W173-H183 AromaticContact CE3-NE2 3.95Å; W173-H183 AromaticContact CZ3-CD2 3.74Å; W173-E186 HydrophobicContact CH2-CB 3.94Å; W173-E186 HydrophobicContact CH2-CG 4.01Å; W173-E186 HydrophobicContact CZ2-CB 4.25Å; W173-E186 HydrophobicContact CZ2-CG 3.79Å
174	G	95.1	Very high	95.6	Very high	68 Å²	68	70.8 Å²	70.8	70%	0.701	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	14.5	-175	0	0	0	0	0	113.2	C170 E171	C170-G174 PolarHBondContact O-N 2.82Å; E171-G174 PolarHBondContact O-N 2.97Å
175	D	94.5	Very high	95.6	Very high	52 Å²	52	72.5 Å²	72.5	28%	0.278	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-80	143.4	173.7	-71	-57.9	0	0	0	109	C170 W173 K182 H183	C170-D175 PolarHBondContact O-N 3.36Å; C170-D175 PolarHBondContact SG-O 3.4Å; W173-D175 PolarHBondContact O-N 3.42Å; D175-K182 IonicContact OD1-NZ 3.72Å; D175-K182 PolarHBondContact OD1-NZ 3.35Å; D175-K182 VanDerWaalsContact OD1-NZ 3.08Å; D175-K182 IonicContact OD2-NZ 3.75Å; D175-K182 PolarHBondContact OD2-NZ 3.36Å; D175-H183 IonicContact OD2-CE1 2.95Å; D175-H183 IonicContact OD2-NE2 3.65Å; D175-H183 PolarHBondContact OD2-NE2 2.87Å
176	T	91.1	Very high	95.6	Very high	116 Å²	116	73.4 Å²	73.4	71%	0.712	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-92.8	151.4	172.2	51.7	0	0	0	0	110.9
177	P	88.3	Confident	95.5	Very high	95 Å²	95	73.4 Å²	73.4	62%	0.617	39%	0.388	S	S	*	.	S	Bend	trans	-52.2	144.4	170	-24.4	33.9	0	0	0	110.8
178	P	94.6	Very high	95.5	Very high	106 Å²	106	71.3 Å²	71.3	69%	0.688	38%	0.379	S	S	*	.	S	Bend	cis	-85.6	153.9	21	31.9	-35.9	0	0	0	115.5	Q180	P178-Q180 PolarHBondContact O-N 3.32Å
179	L	96.3	Very high	95.4	Very high	53 Å²	53	74.5 Å²	74.5	28%	0.277	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-60.1	122.8	175.4	-69.8	-179.9	0	0	0	111.3	V163 A166 L167 C170 H183	V163-L179 HydrophobicContact CG1-CD1 4.11Å; A166-L179 HydrophobicContact CB-CD1 3.94Å; A166-L179 HydrophobicContact CB-CD2 4.06Å; A166-L179 WeakPolarHBondContact O-CD2 3.25Å; L167-L179 HydrophobicContact CD2-CD1 4.31Å; L167-L179 HydrophobicContact CD2-CD2 3.95Å; L167-L179 HydrophobicContact CD2-CG 4.19Å; L167-L179 HydrophobicContact CG-CD1 4.35Å; L167-L179 HydrophobicContact CG-CD2 4.36Å; C170-L179 HydrophobicContact CB-CD2 4.01Å; L179-H183 HydrophobicContact CD2-CB 4.2Å
180	Q	96.3	Very high	95.2	Very high	92 Å²	92	76.4 Å²	76.4	43%	0.43	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-93.2	159.9	177.8	-64.3	-169.4	-19.4	0	0	111.3	P178 K182 H183 L184	P178-Q180 PolarHBondContact O-N 3.32Å; Q180-K182 HydrophobicContact CB-CG 3.89Å; Q180-K182 PolarHBondContact O-N 3.02Å; Q180-H183 PolarHBondContact N-ND1 2.73Å; Q180-H183 VanDerWaalsContact N-ND1 3.19Å; Q180-H183 WeakPolarHBondContact O-CB 3.14Å; Q180-H183 PolarHBondContact O-N 2.99Å; Q180-L184 PolarHBondContact O-N 3.4Å
181	P	97	Very high	95.1	Very high	82 Å²	82	76.4 Å²	76.4	53%	0.532	39%	0.393	S	S	.	.	H	α-helix	trans	-55.5	-27.1	176	-27.6	35.7	0	0	0	114	R185	P181-R185 VanDerWaalsContact CB-NH1 3.28Å; P181-R185 WeakPolarHBondContact O-CB 3.43Å; P181-R185 WeakPolarHBondContact O-CG 3.47Å; P181-R185 PolarHBondContact O-N 2.86Å; P181-R185 VanDerWaalsContact O-N 3.11Å; P181-R185 PolarHBondContact O-NE 3.49Å
182	K	96.4	Very high	94.9	Very high	71 Å²	71	73.2 Å²	73.2	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-39.4	173.5	54.9	164.2	173.7	152.6	0	112.4	W173 D175 Q180 E186	W173-K182 HydrophobicContact CE3-CD 4.23Å; W173-K182 HydrophobicContact CZ3-CB 4.14Å; W173-K182 HydrophobicContact CZ3-CD 3.83Å; W173-K182 HydrophobicContact CZ3-CG 4.13Å; D175-K182 IonicContact OD1-NZ 3.72Å; D175-K182 PolarHBondContact OD1-NZ 3.35Å; D175-K182 VanDerWaalsContact OD1-NZ 3.08Å; D175-K182 IonicContact OD2-NZ 3.75Å; D175-K182 PolarHBondContact OD2-NZ 3.36Å; Q180-K182 HydrophobicContact CB-CG 3.89Å; Q180-K182 PolarHBondContact O-N 3.02Å; K182-E186 WeakPolarHBondContact O-CB 3.43Å; K182-E186 PolarHBondContact O-N 3.35Å; K182-E186 VanDerWaalsContact O-N 3.13Å
183	H	97.3	Very high	94.6	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-69.1	-46.4	180	-50.5	152.9	0	0	0	110.8	A166 V169 C170 W173 D175 L179 Q180 R185 E186 A187	A166-H183 HydrophobicContact CB-CB 4.34Å; V169-H183 HydrophobicContact CG1-CB 4.42Å; C170-H183 VanDerWaalsContact SG-CE1 3.54Å; W173-H183 AromaticContact CE3-CD2 3.61Å; W173-H183 AromaticContact CE3-NE2 3.95Å; W173-H183 AromaticContact CZ3-CD2 3.74Å; D175-H183 IonicContact OD2-CE1 2.95Å; D175-H183 IonicContact OD2-NE2 3.65Å; D175-H183 PolarHBondContact OD2-NE2 2.87Å; L179-H183 HydrophobicContact CD2-CB 4.2Å; Q180-H183 PolarHBondContact N-ND1 2.73Å; Q180-H183 VanDerWaalsContact N-ND1 3.19Å; Q180-H183 WeakPolarHBondContact O-CB 3.14Å; Q180-H183 PolarHBondContact O-N 2.99Å; H183-R185 PolarHBondContact O-N 3.42Å; H183-E186 PolarHBondContact O-N 3.33Å; H183-A187 WeakPolarHBondContact O-CB 3.4Å; H183-A187 PolarHBondContact O-N 3.31Å
184	L	97	Very high	94.4	Very high	67 Å²	67	71.5 Å²	71.5	35%	0.351	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-41.9	178.7	-71.3	172.8	0	0	0	112.6	I162 A166 Q180 A187 V188	I162-L184 HydrophobicContact CG2-CD2 3.73Å; A166-L184 HydrophobicContact CB-CD2 3.88Å; Q180-L184 PolarHBondContact O-N 3.4Å; L184-A187 PolarHBondContact O-N 3.5Å; L184-V188 WeakPolarHBondContact O-CG2 3.3Å; L184-V188 PolarHBondContact O-N 3.29Å
185	R	96.6	Very high	93.8	Very high	168 Å²	168	74.6 Å²	74.6	63%	0.634	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-42	177.3	-75.6	-172.2	-64.8	-97.8	3.3	111.9	P181 H183 R189	P181-R185 VanDerWaalsContact CB-NH1 3.28Å; P181-R185 WeakPolarHBondContact O-CB 3.43Å; P181-R185 WeakPolarHBondContact O-CG 3.47Å; P181-R185 PolarHBondContact O-N 2.86Å; P181-R185 VanDerWaalsContact O-N 3.11Å; P181-R185 PolarHBondContact O-NE 3.49Å; H183-R185 PolarHBondContact O-N 3.42Å; R185-R189 WeakPolarHBondContact O-CB 3.43Å; R185-R189 PolarHBondContact O-N 2.88Å
186	E	96.6	Very high	93.4	Very high	34 Å²	34	77.2 Å²	77.2	16%	0.159	39%	0.39	C	S	.	.	H	α-helix	trans	-67.5	-40.8	177.3	176.1	58.9	-165.6	0	0	111.8	V169 W173 K182 H183 V188 R189 R190	V169-E186 HydrophobicContact CB-CG 4.47Å; V169-E186 HydrophobicContact CG1-CB 4.06Å; V169-E186 HydrophobicContact CG1-CG 3.77Å; V169-E186 HydrophobicContact CG2-CB 4.35Å; V169-E186 HydrophobicContact CG2-CG 3.75Å; W173-E186 HydrophobicContact CH2-CB 3.94Å; W173-E186 HydrophobicContact CH2-CG 4.01Å; W173-E186 HydrophobicContact CZ2-CB 4.25Å; W173-E186 HydrophobicContact CZ2-CG 3.79Å; K182-E186 WeakPolarHBondContact O-CB 3.43Å; K182-E186 PolarHBondContact O-N 3.35Å; K182-E186 VanDerWaalsContact O-N 3.13Å; H183-E186 PolarHBondContact O-N 3.33Å; E186-V188 PolarHBondContact O-N 3.1Å; E186-R189 WeakPolarHBondContact O-CB 3.29Å; E186-R189 PolarHBondContact O-N 3.09Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 3.49Å; E186-R189 IonicContact OE1-NE 3.49Å; E186-R189 PolarHBondContact OE1-NE 3.49Å; E186-R189 IonicContact OE1-NH2 2.67Å; E186-R189 PolarHBondContact OE1-NH2 3.32Å; E186-R189 IonicContact OE2-CZ 3.55Å; E186-R189 IonicContact OE2-NE 2.76Å; E186-R189 PolarHBondContact OE2-NE 3.16Å; E186-R189 IonicContact OE2-NH2 3.49Å; E186-R189 PolarHBondContact OE2-NH2 2.96Å; E186-R190 WeakPolarHBondContact O-CG 3.46Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE1-CZ 2.82Å; E186-R190 IonicContact OE1-NE 3.67Å; E186-R190 PolarHBondContact OE1-NE 3.47Å; E186-R190 IonicContact OE1-NH2 3.35Å
187	A	96.4	Very high	93.1	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-51	174.6	0	0	0	0	0	111.7	E165 A166 H183 L184 R189 R190 L191	E165-A187 HydrophobicContact CB-CB 3.97Å; E165-A187 HydrophobicContact CG-CB 3.92Å; A166-A187 HydrophobicContact CB-CB 3.84Å; H183-A187 WeakPolarHBondContact O-CB 3.4Å; H183-A187 PolarHBondContact O-N 3.31Å; L184-A187 PolarHBondContact O-N 3.5Å; A187-R189 VanDerWaalsContact C-N 3.27Å; A187-R189 PolarHBondContact O-N 2.93Å; A187-R190 PolarHBondContact O-N 3.37Å; A187-R190 VanDerWaalsContact O-N 3.13Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.48Å
188	V	94.3	Very high	92.6	Very high	38 Å²	38	73.2 Å²	73.2	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-37.7	176.7	173.7	0	0	0	0	111.5	I162 L184 E186 K192	I162-V188 HydrophobicContact CD1-CG2 3.86Å; I162-V188 HydrophobicContact CG1-CG2 4.07Å; I162-V188 HydrophobicContact CG2-CG2 4.09Å; L184-V188 WeakPolarHBondContact O-CG2 3.3Å; L184-V188 PolarHBondContact O-N 3.29Å; E186-V188 PolarHBondContact O-N 3.1Å; V188-K192 HydrophobicContact CG1-CD 4.05Å; V188-K192 HydrophobicContact CG1-CG 4.5Å; V188-K192 WeakPolarHBondContact O-CB 3.27Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.39Å; V188-K192 PolarHBondContact O-N 3.43Å; V188-K192 VanDerWaalsContact O-N 3.08Å
189	R	94.4	Very high	91.6	Very high	131 Å²	131	72.1 Å²	72.1	49%	0.494	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.1	-169.4	-162.7	67.4	74.9	-1.1	111.4	R185 E186 A187 S193	R185-R189 WeakPolarHBondContact O-CB 3.43Å; R185-R189 PolarHBondContact O-N 2.88Å; E186-R189 WeakPolarHBondContact O-CB 3.29Å; E186-R189 PolarHBondContact O-N 3.09Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 3.49Å; E186-R189 IonicContact OE1-NE 3.49Å; E186-R189 PolarHBondContact OE1-NE 3.49Å; E186-R189 IonicContact OE1-NH2 2.67Å; E186-R189 PolarHBondContact OE1-NH2 3.32Å; E186-R189 IonicContact OE2-CZ 3.55Å; E186-R189 IonicContact OE2-NE 2.76Å; E186-R189 PolarHBondContact OE2-NE 3.16Å; E186-R189 IonicContact OE2-NH2 3.49Å; E186-R189 PolarHBondContact OE2-NH2 2.96Å; A187-R189 VanDerWaalsContact C-N 3.27Å; A187-R189 PolarHBondContact O-N 2.93Å; R189-S193 WeakPolarHBondContact O-CB 3.27Å; R189-S193 PolarHBondContact O-N 3.46Å; R189-S193 VanDerWaalsContact O-N 3.09Å; R189-S193 PolarHBondContact O-OG 3.35Å
190	R	94.3	Very high	90.2	Very high	40 Å²	40	74.4 Å²	74.4	15%	0.151	37%	0.374	C	S	.	.	H	α-helix	trans	-66.3	-47.9	178.4	-70.9	-179.1	-178	-171.8	3.2	112	E165 E186 A187 K192 S193 R194	E165-R190 HydrophobicContact CG-CB 4.27Å; E165-R190 WeakPolarHBondContact OE1-CD 3.47Å; E165-R190 IonicContact OE1-NH1 3.06Å; E165-R190 PolarHBondContact OE1-NH1 3.2Å; E186-R190 WeakPolarHBondContact O-CG 3.46Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE1-CZ 2.82Å; E186-R190 IonicContact OE1-NE 3.67Å; E186-R190 PolarHBondContact OE1-NE 3.47Å; E186-R190 IonicContact OE1-NH2 3.35Å; A187-R190 PolarHBondContact O-N 3.37Å; A187-R190 VanDerWaalsContact O-N 3.13Å; R190-K192 VanDerWaalsContact C-N 3.31Å; R190-K192 PolarHBondContact O-N 3.18Å; R190-S193 WeakPolarHBondContact O-CA 3.15Å; R190-S193 WeakPolarHBondContact O-CB 3.35Å; R190-S193 PolarHBondContact O-N 2.95Å; R190-R194 WeakPolarHBondContact O-CG 3.47Å; R190-R194 PolarHBondContact O-N 3.21Å
191	L	93.1	Very high	88.7	Confident	3 Å²	3	78 Å²	78	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-59.5	-40.5	178.6	-69.5	171.5	0	0	0	112.2	I162 E165 A187 S193 R194 D195 Q196 I197	I162-L191 HydrophobicContact CB-CD1 4.48Å; I162-L191 HydrophobicContact CG1-CD1 3.83Å; E165-L191 HydrophobicContact CB-CD1 4.28Å; E165-L191 HydrophobicContact CB-CD2 4.32Å; E165-L191 HydrophobicContact CB-CG 4.24Å; E165-L191 HydrophobicContact CG-CG 4.27Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.48Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.42Å; L191-R194 PolarHBondContact O-N 2.82Å; L191-D195 PolarHBondContact O-N 3.43Å; L191-Q196 HydrophobicContact CD2-CB 4.26Å; L191-Q196 PolarHBondContact O-N 3.32Å; L191-I197 HydrophobicContact CB-CD1 3.45Å; L191-I197 VanDerWaalsContact CB-CD1 3.45Å; L191-I197 HydrophobicContact CB-CG1 3.88Å; L191-I197 HydrophobicContact CD1-CD1 3.75Å; L191-I197 HydrophobicContact CG-CD1 4.24Å
192	K	91.2	Very high	87	Confident	87 Å²	87	85 Å²	85	38%	0.378	41%	0.406	S	S	.	.	H	α-helix	trans	-66.4	-32.9	172.7	-74	176.8	179.7	-179.5	0	113.6	V188 R190 R194 D195 I197	V188-K192 HydrophobicContact CG1-CD 4.05Å; V188-K192 HydrophobicContact CG1-CG 4.5Å; V188-K192 WeakPolarHBondContact O-CB 3.27Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.39Å; V188-K192 PolarHBondContact O-N 3.43Å; V188-K192 VanDerWaalsContact O-N 3.08Å; R190-K192 VanDerWaalsContact C-N 3.31Å; R190-K192 PolarHBondContact O-N 3.18Å; K192-R194 VanDerWaalsContact C-N 3.33Å; K192-D195 PolarHBondContact O-N 3.31Å; K192-I197 HydrophobicContact CG-CB 4.23Å; K192-I197 HydrophobicContact CG-CG2 4.4Å
193	S	89.9	Confident	85.5	Confident	78 Å²	78	89.7 Å²	89.7	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-76.7	-23.4	179.3	-54.3	0	0	0	0	112.3	R189 R190 L191 D195	R189-S193 WeakPolarHBondContact O-CB 3.27Å; R189-S193 PolarHBondContact O-N 3.46Å; R189-S193 VanDerWaalsContact O-N 3.09Å; R189-S193 PolarHBondContact O-OG 3.35Å; R190-S193 WeakPolarHBondContact O-CA 3.15Å; R190-S193 WeakPolarHBondContact O-CB 3.35Å; R190-S193 PolarHBondContact O-N 2.95Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.42Å; S193-D195 VanDerWaalsContact C-N 3.34Å
194	R	90.8	Very high	83.9	Confident	121 Å²	121	97.6 Å²	97.6	46%	0.457	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7.4	174.8	-63.4	-178	-168.3	151.5	11.7	113.1	E165 R190 L191 K192 Q196	E165-R194 IonicContact OE1-CZ 3.25Å; E165-R194 IonicContact OE1-NH1 3.78Å; E165-R194 IonicContact OE1-NH2 2.93Å; E165-R194 PolarHBondContact OE1-NH2 3.03Å; E165-R194 IonicContact OE2-CZ 3.79Å; E165-R194 IonicContact OE2-NH1 3.6Å; E165-R194 PolarHBondContact OE2-NH1 2.92Å; E165-R194 IonicContact OE2-NH2 2.94Å; E165-R194 PolarHBondContact OE2-NH2 3.18Å; R190-R194 WeakPolarHBondContact O-CG 3.47Å; R190-R194 PolarHBondContact O-N 3.21Å; L191-R194 PolarHBondContact O-N 2.82Å; K192-R194 VanDerWaalsContact C-N 3.33Å; R194-Q196 HydrophobicContact CB-CG 4.08Å; R194-Q196 PolarHBondContact O-N 3.23Å; R194-Q196 VanDerWaalsContact O-N 3.09Å
195	D	84.1	Confident	82.8	Confident	132 Å²	132	100.5 Å²	100.5	71%	0.706	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	23.7	-175.2	-63.5	-50.1	0	0	0	114.6	L191 K192 S193	L191-D195 PolarHBondContact O-N 3.43Å; K192-D195 PolarHBondContact O-N 3.31Å; S193-D195 VanDerWaalsContact C-N 3.34Å
196	Q	84.6	Confident	81.7	Confident	107 Å²	107	98 Å²	98	50%	0.5	48%	0.476	S	S	.	.	S	Bend	trans	-80.6	-26	176.2	-67.8	-177.3	1	0	0	111.9	L191 R194	L191-Q196 HydrophobicContact CD2-CB 4.26Å; L191-Q196 PolarHBondContact O-N 3.32Å; R194-Q196 HydrophobicContact CB-CG 4.08Å; R194-Q196 PolarHBondContact O-N 3.23Å; R194-Q196 VanDerWaalsContact O-N 3.09Å
197	I	85.4	Confident	80.5	Confident	13 Å²	13	105 Å²	105	7%	0.067	51%	0.506	C	S	.	.	S	Bend	trans	-110.4	129	170.1	-62.9	169.6	0	0	0	108.3	F158 I162 L191 K192 N199	F158-I197 HydrophobicContact CD2-CD1 4.46Å; F158-I197 HydrophobicContact CD2-CG1 4.46Å; F158-I197 HydrophobicContact CE2-CD1 3.69Å; F158-I197 HydrophobicContact CE2-CG1 3.96Å; F158-I197 HydrophobicContact CE2-CG2 4Å; F158-I197 HydrophobicContact CZ-CD1 4.43Å; I162-I197 HydrophobicContact CG1-CD1 4.43Å; L191-I197 HydrophobicContact CB-CD1 3.45Å; L191-I197 VanDerWaalsContact CB-CD1 3.45Å; L191-I197 HydrophobicContact CB-CG1 3.88Å; L191-I197 HydrophobicContact CD1-CD1 3.75Å; L191-I197 HydrophobicContact CG-CD1 4.24Å; K192-I197 HydrophobicContact CG-CB 4.23Å; K192-I197 HydrophobicContact CG-CG2 4.4Å; I197-N199 PolarHBondContact O-N 3.44Å
198	P	78.6	Confident	78.6	Confident	115 Å²	115	116.4 Å²	116.4	75%	0.747	56%	0.559	S	S	*	*			trans	-56.2	131.2	178.5	21.1	-31.7	0	0	0	111.4	S200	P198-S200 PolarHBondContact O-N 3.46Å
199	N	72.3	Confident	77.8	Confident	82 Å²	82	120.4 Å²	120.4	44%	0.439	58%	0.575	S	S	.	*			trans	-75.2	122.7	-178.2	-170	-13.8	0	0	0	110.5	I197 K201	I197-N199 PolarHBondContact O-N 3.44Å; N199-K201 VanDerWaalsContact C-N 3.3Å; N199-K201 PolarHBondContact O-N 3.01Å; N199-K201 WeakPolarHBondContact OD1-CB 3.39Å; N199-K201 PolarHBondContact OD1-N 3.13Å
200	S	67.2	Low	77	Confident	102 Å²	102	119.8 Å²	119.8	71%	0.713	58%	0.58	S	S	*	*			trans	-79.7	-8.3	178	66.9	0	0	0	0	114.1	P198 Y202	P198-S200 PolarHBondContact O-N 3.46Å; S200-Y202 PolarHBondContact O-N 3.49Å
201	K	65.7	Low	76	Confident	166 Å²	166	124.2 Å²	124.2	72%	0.722	60%	0.603	S	S	*	*	S	Bend	trans	-75.6	111.6	175.9	-63.6	-174.3	179.8	-176.1	0	109	N199 K203	N199-K201 VanDerWaalsContact C-N 3.3Å; N199-K201 PolarHBondContact O-N 3.01Å; N199-K201 WeakPolarHBondContact OD1-CB 3.39Å; N199-K201 PolarHBondContact OD1-N 3.13Å; K201-K203 PolarHBondContact O-N 2.98Å; K201-K203 VanDerWaalsContact O-N 3.07Å
202	Y	61.4	Low	75	Confident	231 Å²	231	131.4 Å²	131.4	91%	0.906	64%	0.638	S	S	*	*			trans	-52.3	113.9	169.5	-112.7	-97	0	0	0	109.4	S200 H204	S200-Y202 PolarHBondContact O-N 3.49Å; Y202-H204 PolarHBondContact O-N 3.38Å
203	K	65.3	Low	74	Confident	168 Å²	168	134.1 Å²	134.1	73%	0.73	65%	0.654	S	S	*	*			trans	-76	115.9	165.7	-67.4	-175.9	-177.6	178.4	0	106	K201 I205	K201-K203 PolarHBondContact O-N 2.98Å; K201-K203 VanDerWaalsContact O-N 3.07Å; K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 WeakPolarHBondContact O-CG1 3.24Å; K203-I205 PolarHBondContact O-N 3.23Å
204	H	63.7	Low	72.9	Confident	167 Å²	167	137.9 Å²	137.9	77%	0.773	66%	0.661	S	S	*	*			trans	-68.5	93.3	175.2	-157.2	-80.8	0	0	0	107.8	Y202 L206	Y202-H204 PolarHBondContact O-N 3.38Å; H204-L206 WeakPolarHBondContact ND1-CD1 3.45Å; H204-L206 PolarHBondContact O-N 2.74Å; H204-L206 VanDerWaalsContact O-N 3.12Å
205	I	73.2	Confident	71.6	Confident	127 Å²	127	139.1 Å²	139.1	65%	0.651	68%	0.676	S	S	*	*			trans	-74.5	100.6	174.2	-3.5	173.7	0	0	0	106.1	K203 F207	K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 WeakPolarHBondContact O-CG1 3.24Å; K203-I205 PolarHBondContact O-N 3.23Å; I205-F207 HydrophobicContact CD1-CZ 4.47Å; I205-F207 PolarHBondContact O-N 2.7Å
206	L	74	Confident	70.7	Confident	115 Å²	115	139.6 Å²	139.6	60%	0.602	67%	0.674	S	S	*	*			trans	-72.4	113.1	166.2	-127	81.9	0	0	0	106.6	H204 H208	H204-L206 WeakPolarHBondContact ND1-CD1 3.45Å; H204-L206 PolarHBondContact O-N 2.74Å; H204-L206 VanDerWaalsContact O-N 3.12Å; L206-H208 PolarHBondContact O-N 2.95Å
207	F	69.9	Low	69.5	Low	183 Å²	183	142.3 Å²	142.3	80%	0.803	69%	0.688	S	S	*	*			trans	-75.5	119.6	165.9	-64.4	-81.7	0	0	0	107.4	I205	I205-F207 HydrophobicContact CD1-CZ 4.47Å; I205-F207 PolarHBondContact O-N 2.7Å
208	H	57.6	Low	68.1	Low	239 Å²	239	154.1 Å²	154.1	100%	1.106	75%	0.745	S	S	*	*			trans	-99.2	0	172.8	-97.2	-67.5	0	0	0	110.4	L206	L206-H208 PolarHBondContact O-N 2.95Å

Retrieved 208 of 208 residues in 91.9 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).