A0A087WZY8_HUMAN Loading...

Mannosyltransferase

AlphaFold DB , UniProt , Accession A0A087WZY8, Species HUMAN (Homo sapiens, Human), Gene ALG9, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.3	Very low	36.1	Very low	244 Å²	244	164.8 Å²	164.8	100%	1.202	85%	0.849	S	S	*	*				0	81	0	-71.2	173.3	166.3	0	0	107.1
2	A	40.5	Very low	35.4	Very low	102 Å²	102	156.2 Å²	156.2	84%	0.843	83%	0.831	S	S	*	*				71.5	87	90.2	0	0	0	0	0	111.3
3	S	35.5	Very low	35.1	Very low	130 Å²	130	154.2 Å²	154.2	91%	0.909	84%	0.837	S	S	*	*				94.7	137.7	70.9	-166.7	0	0	0	0	113.5
4	R	41.1	Very low	34.6	Very low	249 Å²	249	149 Å²	149	94%	0.94	84%	0.837	S	S	*	*			trans	-86.3	162	-161.1	-67	171	163.9	177.4	-5.3	115
5	G	35.5	Very low	34.3	Very low	75 Å²	75	146.1 Å²	146.1	77%	0.773	84%	0.839	S	S	*	*			trans	138.6	153.3	150.9	0	0	0	0	0	113.2
6	A	36.5	Very low	33.9	Very low	89 Å²	89	143.4 Å²	143.4	74%	0.736	83%	0.832	S	S	*	*			cis	-177.6	158.1	-13.2	0	0	0	0	0	107.4
7	R	35.8	Very low	33.7	Very low	215 Å²	215	140.4 Å²	140.4	81%	0.811	82%	0.821	S	S	*	*			trans	72.2	116	149.9	-76.4	-178.4	175.1	-178	-2.7	120.4
8	Q	34.4	Very low	33.9	Very low	169 Å²	169	136.5 Å²	136.5	79%	0.79	82%	0.816	S	S	*	*				84.6	154.9	89.4	-79.8	179.2	-35.1	0	0	113.4
9	R	32.2	Very low	34.2	Very low	213 Å²	213	137.1 Å²	137.1	80%	0.804	81%	0.814	S	S	*	*			cis	170.3	127.3	-38.6	173.8	176.2	-178	-152.2	-6.6	105.1
10	L	31.5	Very low	34.7	Very low	125 Å²	125	137.8 Å²	137.8	65%	0.654	82%	0.82	S	S	*	*			trans	57.8	128.9	156.4	-68.2	166.5	0	0	0	119.3
11	K	33.3	Very low	35.3	Very low	202 Å²	202	134.7 Å²	134.7	88%	0.878	81%	0.81	S	S	*	*				91.8	130.3	63.5	-169.1	166.1	-174.2	171.9	0	114.2
12	G	28.5	Very low	35.7	Very low	61 Å²	61	126.8 Å²	126.8	63%	0.629	78%	0.777	S	S	*	*			trans	127.4	101.7	162.1	0	0	0	0	0	112.5
13	S	30.8	Very low	36.4	Very low	131 Å²	131	125.8 Å²	125.8	92%	0.916	77%	0.768	S	S	*	*				70.3	121.8	85.5	79.5	0	0	0	0	115
14	G	28.3	Very low	37.3	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	75%	0.749	S	S	*	*			trans	179.7	107.2	166.1	0	0	0	0	0	111.3
15	A	29.8	Very low	38	Very low	105 Å²	105	114.6 Å²	114.6	87%	0.868	73%	0.725	S	S	*	*			trans	-70.8	158.2	171.5	0	0	0	0	0	111.7
16	S	27.8	Very low	39.2	Very low	104 Å²	104	118.4 Å²	118.4	73%	0.727	72%	0.721	S	S	*	*			trans	173.7	137	136.3	-175.8	0	0	0	0	111.8
17	S	30.3	Very low	40	Very low	91 Å²	91	119.1 Å²	119.1	64%	0.636	71%	0.712	S	S	*	*			trans	51.1	115.7	146.8	56.5	0	0	0	0	118.3
18	G	38.5	Very low	41.2	Very low	71 Å²	71	118 Å²	118	73%	0.732	71%	0.707	S	S	*	*			cis	73.1	73	44.6	0	0	0	0	0	110.2
19	D	39.2	Very low	42.2	Very low	147 Å²	147	116.7 Å²	116.7	79%	0.786	70%	0.701	S	S	*	*			trans	-143.7	89.7	165.8	-84.4	-36.6	0	0	0	110.1	A21	D19-A21 PolarHBondContact O-N 3.5Å
20	T	44.3	Very low	43.3	Very low	152 Å²	152	112.6 Å²	112.6	93%	0.933	70%	0.695	S	S	*	*			trans	-67.1	82.3	152.2	37.1	0	0	0	0	108.3
21	A	46.3	Very low	44.5	Very low	73 Å²	73	111.2 Å²	111.2	60%	0.603	69%	0.687	S	S	*	*			trans	-73	134.5	165.2	0	0	0	0	0	108.9	D19 A23	D19-A21 PolarHBondContact O-N 3.5Å; A21-A23 PolarHBondContact O-N 3.03Å
22	P	49.8	Very low	44.9	Very low	78 Å²	78	103.9 Å²	103.9	51%	0.506	67%	0.669	S	S	.	*			trans	-65.2	139.7	-172.2	27.5	-33.1	0	0	0	109.6	A24 D25	P22-A24 HydrophobicContact CB-CB 4.33Å; P22-A24 PolarHBondContact O-N 2.96Å; P22-D25 PolarHBondContact O-N 3.43Å
23	A	55	Low	45.6	Very low	80 Å²	80	104.8 Å²	104.8	66%	0.661	67%	0.665	S	S	*	*	H	α-helix	trans	-50.3	-20	175	0	0	0	0	0	113.4	A21 D25 L27	A21-A23 PolarHBondContact O-N 3.03Å; A23-D25 VanDerWaalsContact C-N 3.34Å; A23-D25 PolarHBondContact O-N 3.02Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å
24	A	54.8	Low	46.2	Very low	62 Å²	62	108.4 Å²	108.4	51%	0.512	66%	0.659	S	S	.	*	H	α-helix	trans	-59.3	-35	171.3	0	0	0	0	0	114.2	P22 L27 R28	P22-A24 HydrophobicContact CB-CB 4.33Å; P22-A24 PolarHBondContact O-N 2.96Å; A24-L27 PolarHBondContact O-N 2.85Å; A24-R28 WeakPolarHBondContact O-CB 3.25Å; A24-R28 PolarHBondContact O-N 3.48Å
25	D	56.1	Low	46.6	Very low	82 Å²	82	112.5 Å²	112.5	44%	0.439	66%	0.656	S	S	.	*	H	α-helix	trans	-75.6	-39.9	179.8	-76.2	-30.1	0	0	0	111.6	P22 A23 L27 R28 E29	P22-D25 PolarHBondContact O-N 3.43Å; A23-D25 VanDerWaalsContact C-N 3.34Å; A23-D25 PolarHBondContact O-N 3.02Å; D25-L27 VanDerWaalsContact C-N 3.27Å; D25-L27 PolarHBondContact O-N 2.83Å; D25-R28 WeakPolarHBondContact O-CB 3.23Å; D25-R28 PolarHBondContact O-N 2.9Å; D25-E29 PolarHBondContact O-N 2.79Å
26	K	59.1	Low	47	Very low	156 Å²	156	111.3 Å²	111.3	68%	0.678	65%	0.647	S	S	*	*	H	α-helix	trans	-63.6	-34.1	170.1	-83.3	-169.5	175.2	-175.5	0	112.3	E29 L30	K26-E29 PolarHBondContact O-N 3.42Å; K26-L30 WeakPolarHBondContact O-CB 3.35Å; K26-L30 WeakPolarHBondContact O-CG 3.45Å; K26-L30 PolarHBondContact O-N 3.4Å
27	L	54.2	Low	47.1	Very low	104 Å²	104	109.4 Å²	109.4	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-74.8	-32	177.9	-148.6	138.4	0	0	0	111.4	A23 A24 D25 L31	A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å; A24-L27 PolarHBondContact O-N 2.85Å; D25-L27 VanDerWaalsContact C-N 3.27Å; D25-L27 PolarHBondContact O-N 2.83Å; L27-L31 HydrophobicContact CD2-CD1 3.62Å; L27-L31 HydrophobicContact CD2-CG 4.16Å; L27-L31 VanDerWaalsContact O-CB 3.23Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 2.83Å
28	R	61.2	Low	47.2	Very low	192 Å²	192	108.6 Å²	108.6	73%	0.725	65%	0.65	S	S	*	*	H	α-helix	trans	-65.8	-39.2	167.8	-100.8	177.5	147.7	-175.7	-6.2	112.6	A24 D25 G32	A24-R28 WeakPolarHBondContact O-CB 3.25Å; A24-R28 PolarHBondContact O-N 3.48Å; D25-R28 WeakPolarHBondContact O-CB 3.23Å; D25-R28 PolarHBondContact O-N 2.9Å; R28-G32 PolarHBondContact O-N 2.91Å
29	E	55.6	Low	47.1	Very low	141 Å²	141	109.4 Å²	109.4	66%	0.659	65%	0.649	S	S	*	*	H	α-helix	trans	-70.2	-37.8	177.4	-155.7	-178.3	-179.8	0	0	111.6	D25 K26 S33	D25-E29 PolarHBondContact O-N 2.79Å; K26-E29 PolarHBondContact O-N 3.42Å; E29-S33 VanDerWaalsContact O-CB 3.31Å; E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 2.88Å; E29-S33 PolarHBondContact O-OG 3.26Å
30	L	54.8	Low	46.8	Very low	127 Å²	127	110.3 Å²	110.3	67%	0.665	65%	0.649	S	S	*	*	H	α-helix	trans	-72.7	-36.8	173.4	-73.7	175	0	0	0	113.2	K26 S33 R34	K26-L30 WeakPolarHBondContact O-CB 3.35Å; K26-L30 WeakPolarHBondContact O-CG 3.45Å; K26-L30 PolarHBondContact O-N 3.4Å; L30-S33 PolarHBondContact O-N 2.91Å; L30-R34 VanDerWaalsContact O-CB 3.27Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 PolarHBondContact O-N 3.2Å
31	L	56.6	Low	46.2	Very low	96 Å²	96	109.2 Å²	109.2	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-69	-40.2	172	-78.7	170.2	0	0	0	111.2	L27 S33 R34 E35	L27-L31 HydrophobicContact CD2-CD1 3.62Å; L27-L31 HydrophobicContact CD2-CG 4.16Å; L27-L31 VanDerWaalsContact O-CB 3.23Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 2.83Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.31Å; L31-R34 PolarHBondContact O-N 2.97Å; L31-E35 WeakPolarHBondContact O-CB 3.43Å; L31-E35 WeakPolarHBondContact O-CG 3.49Å; L31-E35 PolarHBondContact O-N 3.46Å
32	G	42.4	Very low	45.7	Very low	47 Å²	47	114.5 Å²	114.5	49%	0.485	64%	0.637	S	S	.	*	H	α-helix	trans	-63.6	-36	173.5	0	0	0	0	0	112.6	R28 A36	R28-G32 PolarHBondContact O-N 2.91Å; G32-A36 PolarHBondContact O-N 2.79Å
33	S	42.9	Very low	45	Very low	80 Å²	80	115.2 Å²	115.2	56%	0.559	64%	0.64	S	S	*	*	H	α-helix	trans	-75	-26.7	174.6	-60.1	0	0	0	0	113.2	E29 L30 L31	E29-S33 VanDerWaalsContact O-CB 3.31Å; E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 2.88Å; E29-S33 PolarHBondContact O-OG 3.26Å; L30-S33 PolarHBondContact O-N 2.91Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.31Å
34	R	42.6	Very low	44.1	Very low	208 Å²	208	118.7 Å²	118.7	79%	0.785	64%	0.643	S	S	*	*	H	α-helix	trans	-84.5	-29.4	178.2	-174.8	166	156	168.3	-7.1	112.9	L30 L31 A36 G37	L30-R34 VanDerWaalsContact O-CB 3.27Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 PolarHBondContact O-N 3.2Å; L31-R34 PolarHBondContact O-N 2.97Å; R34-A36 VanDerWaalsContact C-N 3.31Å; R34-G37 PolarHBondContact O-N 3.31Å
35	E	38.1	Very low	43.5	Very low	166 Å²	166	123.8 Å²	123.8	78%	0.776	66%	0.661	S	S	*	*	H	α-helix	trans	-72.1	-25.4	169.5	-72.2	-80	113.2	0	0	111.9	L31 G37	L31-E35 WeakPolarHBondContact O-CB 3.43Å; L31-E35 WeakPolarHBondContact O-CG 3.49Å; L31-E35 PolarHBondContact O-N 3.46Å; E35-G37 PolarHBondContact O-N 3.3Å
36	A	37.6	Very low	42.6	Very low	81 Å²	81	125 Å²	125	67%	0.669	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-5.8	171.7	0	0	0	0	0	114	G32 R34	G32-A36 PolarHBondContact O-N 2.79Å; R34-A36 VanDerWaalsContact C-N 3.31Å
37	G	30.7	Very low	41.8	Very low	64 Å²	64	120.6 Å²	120.6	66%	0.66	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	4.6	-178.8	0	0	0	0	0	115.9	R34 E35	R34-G37 PolarHBondContact O-N 3.31Å; E35-G37 PolarHBondContact O-N 3.3Å
38	G	31.5	Very low	40.9	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	69%	0.687	S	S	*	*	S	Bend	trans	-101.4	-0.8	-172.8	0	0	0	0	0	116.8
39	A	36.3	Very low	40.3	Very low	87 Å²	87	123.6 Å²	123.6	72%	0.719	70%	0.695	S	S	*	*			trans	-146.6	71.7	-178	0	0	0	0	0	111.6	H41	A39-H41 PolarHBondContact O-N 2.9Å
40	E	33.2	Very low	39.5	Very low	167 Å²	167	122 Å²	122	78%	0.78	71%	0.706	S	S	*	*			trans	-72.3	79.8	161.3	-82.4	-153.1	106.6	0	0	109.9	R42	E40-R42 IonicContact OE1-NH1 2.78Å
41	H	31.6	Very low	38.9	Very low	128 Å²	128	119.4 Å²	119.4	59%	0.593	71%	0.71	S	S	*	*			trans	-99.5	77.5	146.4	-171.3	-85.3	0	0	0	106.6	A39 T43	A39-H41 PolarHBondContact O-N 2.9Å; H41-T43 PolarHBondContact CE1-OG1 3.01Å; H41-T43 PolarHBondContact ND1-OG1 2.88Å; H41-T43 PolarHBondContact O-N 3.11Å
42	R	35.2	Very low	38.2	Very low	184 Å²	184	123.4 Å²	123.4	69%	0.694	73%	0.726	S	S	*	*			trans	-72.9	83.4	176.8	-166.3	169.8	-152	149.5	6.1	109.2	E40 E44	E40-R42 IonicContact OE1-NH1 2.78Å; R42-E44 VanDerWaalsContact C-N 3.26Å; R42-E44 HydrophobicContact CG-CG 3.93Å; R42-E44 PolarHBondContact O-N 2.91Å
43	T	35.7	Very low	38.3	Very low	93 Å²	93	125.4 Å²	125.4	57%	0.571	73%	0.729	S	S	*	*			trans	-70.2	86.6	162.8	-50.6	0	0	0	0	107.6	H41 L45	H41-T43 PolarHBondContact CE1-OG1 3.01Å; H41-T43 PolarHBondContact ND1-OG1 2.88Å; H41-T43 PolarHBondContact O-N 3.11Å; T43-L45 VanDerWaalsContact C-N 3.32Å; T43-L45 PolarHBondContact O-N 3.02Å
44	E	35.7	Very low	38.7	Very low	153 Å²	153	130.1 Å²	130.1	72%	0.715	73%	0.734	S	S	*	*			trans	-70.8	94.6	163.4	-74.8	-123.2	120.8	0	0	108.4	R42 S46	R42-E44 VanDerWaalsContact C-N 3.26Å; R42-E44 HydrophobicContact CG-CG 3.93Å; R42-E44 PolarHBondContact O-N 2.91Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.12Å; E44-S46 VanDerWaalsContact O-N 3.12Å
45	L	43.4	Very low	39.2	Very low	170 Å²	170	122.2 Å²	122.2	89%	0.89	71%	0.714	S	S	*	*			trans	-78.6	80.4	168	-164.5	85.3	0	0	0	108.4	T43	T43-L45 VanDerWaalsContact C-N 3.32Å; T43-L45 PolarHBondContact O-N 3.02Å
46	S	35.8	Very low	40.4	Very low	107 Å²	107	114.9 Å²	114.9	75%	0.748	68%	0.681	S	S	*	*			trans	-108.5	113.7	165.9	-173.6	0	0	0	0	109.1	E44	E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.12Å; E44-S46 VanDerWaalsContact O-N 3.12Å
47	G	41.9	Very low	41.9	Very low	63 Å²	63	116 Å²	116	65%	0.649	67%	0.672	S	S	*	*			trans	-58.7	135.6	179.6	0	0	0	0	0	112.7
48	N	36.3	Very low	43.7	Very low	152 Å²	152	114.5 Å²	114.5	81%	0.813	66%	0.657	S	S	*	*			trans	-160	130.5	135	-103.2	-8.6	0	0	0	110
49	K	49	Very low	45.7	Very low	208 Å²	208	113.1 Å²	113.1	90%	0.904	64%	0.635	S	S	*	*			trans	-66.1	146.3	170.5	-68.5	-167.4	174.1	-172.7	0	109.2
50	A	38.8	Very low	47.8	Very low	106 Å²	106	112.3 Å²	112.3	88%	0.876	62%	0.622	S	S	*	*	S	Bend	trans	82.8	105.2	-179.5	0	0	0	0	0	115.5
51	G	41.8	Very low	49.8	Very low	74 Å²	74	104.4 Å²	104.4	76%	0.763	59%	0.585	S	S	*	*			trans	110.7	7.5	161	0	0	0	0	0	118.3	V53	G51-V53 PolarHBondContact O-N 3.11Å
52	Q	40.7	Very low	52	Low	180 Å²	180	101.1 Å²	101.1	84%	0.841	57%	0.569	S	S	*	*			trans	-70.9	100.7	172.3	-80.9	-79.3	-44.7	0	0	109.6	W54	Q52-W54 PolarHBondContact O-N 3.15Å
53	V	46.5	Very low	54.2	Low	89 Å²	89	99.3 Å²	99.3	54%	0.539	57%	0.566	S	S	.	*			trans	-58.2	101.7	168.6	176.5	0	0	0	0	107.1	G51 A55	G51-V53 PolarHBondContact O-N 3.11Å; V53-A55 PolarHBondContact O-N 3.39Å
54	W	51.3	Low	56.4	Low	178 Å²	178	97.4 Å²	97.4	67%	0.674	56%	0.556	S	S	*	*			trans	-55.7	106.7	175.7	178.8	72	0	0	0	109.2	Q52 P56 R171	Q52-W54 PolarHBondContact O-N 3.15Å; W54-P56 HydrophobicContact CH2-CB 4.37Å; W54-P56 HydrophobicContact CZ2-CB 4.43Å; W54-R171 PolarHBondContact O-NH1 3.22Å
55	A	52.7	Low	58.3	Low	42 Å²	42	90.2 Å²	90.2	35%	0.347	52%	0.522	S	S	.	.			trans	-97.6	115.9	171.3	0	0	0	0	0	107.1	V53 E57 L167	V53-A55 PolarHBondContact O-N 3.39Å; A55-E57 PolarHBondContact O-N 2.64Å; A55-E57 VanDerWaalsContact O-N 3.12Å; A55-L167 HydrophobicContact CB-CD1 4.04Å; A55-L167 HydrophobicContact CB-CD2 4.08Å
56	P	61.8	Low	60	Low	13 Å²	13	84 Å²	84	8%	0.084	49%	0.49	C	S	.	.			trans	-61	120	172.5	22.7	-29.4	0	0	0	108.3	W54 Y158 L174	W54-P56 HydrophobicContact CH2-CB 4.37Å; W54-P56 HydrophobicContact CZ2-CB 4.43Å; P56-Y158 PolarHBondContact O-OH 3.44Å; P56-L174 HydrophobicContact CB-CD2 4.22Å; P56-L174 HydrophobicContact CG-CD2 3.96Å
57	E	69.6	Low	62.1	Low	103 Å²	103	81.8 Å²	81.8	48%	0.481	47%	0.474	S	S	.	.			trans	-58.8	143.6	174.3	-161.7	-162	130.5	0	0	109.1	A55 S59 T60 A61	A55-E57 PolarHBondContact O-N 2.64Å; A55-E57 VanDerWaalsContact O-N 3.12Å; E57-S59 PolarHBondContact O-N 2.96Å; E57-S59 VanDerWaalsContact O-N 3.08Å; E57-S59 WeakPolarHBondContact OE1-CB 3.47Å; E57-S59 PolarHBondContact OE1-OG 3.33Å; E57-S59 PolarHBondContact OE2-OG 3.29Å; E57-T60 WeakPolarHBondContact O-CA 3.46Å; E57-T60 WeakPolarHBondContact O-CB 3.41Å; E57-T60 PolarHBondContact O-N 3.32Å; E57-A61 PolarHBondContact O-N 3.01Å
58	G	68.2	Low	63.8	Low	34 Å²	34	80 Å²	80	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-56.5	-29.4	-178	0	0	0	0	0	113.6	F62	G58-F62 VanDerWaalsContact O-CB 3.32Å; G58-F62 WeakPolarHBondContact O-CB 3.47Å; G58-F62 PolarHBondContact O-N 2.94Å
59	S	73.4	Confident	65.6	Low	44 Å²	44	73 Å²	73	31%	0.308	42%	0.416	S	S	.	.	H	α-helix	trans	-67.6	-36.9	174.3	66.2	0	0	0	0	112.6	E57 K63	E57-S59 PolarHBondContact O-N 2.96Å; E57-S59 VanDerWaalsContact O-N 3.08Å; E57-S59 WeakPolarHBondContact OE1-CB 3.47Å; E57-S59 PolarHBondContact OE1-OG 3.33Å; E57-S59 PolarHBondContact OE2-OG 3.29Å; S59-K63 VanDerWaalsContact O-CG 3.3Å; S59-K63 WeakPolarHBondContact O-CG 3.38Å; S59-K63 PolarHBondContact O-N 3.27Å
60	T	80.3	Confident	66.7	Low	71 Å²	71	66 Å²	66	44%	0.436	39%	0.388	S	S	.	.	H	α-helix	trans	-73.6	-42.7	177.4	-58.9	0	0	0	0	110.5	E57 F62 K63 C64	E57-T60 WeakPolarHBondContact O-CA 3.46Å; E57-T60 WeakPolarHBondContact O-CB 3.41Å; E57-T60 PolarHBondContact O-N 3.32Å; T60-F62 VanDerWaalsContact C-N 3.33Å; T60-F62 PolarHBondContact O-N 2.85Å; T60-K63 PolarHBondContact O-N 2.92Å; T60-C64 VanDerWaalsContact O-CB 3.31Å; T60-C64 WeakPolarHBondContact O-CB 3.19Å; T60-C64 PolarHBondContact O-N 3.13Å
61	A	76.6	Confident	68.4	Low	1 Å²	1	64.2 Å²	64.2	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-44.3	173.2	0	0	0	0	0	111.3	E57 C64 L65 Y158 L174	E57-A61 PolarHBondContact O-N 3.01Å; A61-C64 PolarHBondContact O-N 3.43Å; A61-L65 WeakPolarHBondContact O-CB 3.32Å; A61-L65 VanDerWaalsContact O-CG 3.25Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.38Å; A61-Y158 HydrophobicContact CB-CD1 4.48Å; A61-Y158 HydrophobicContact CB-CE1 4.1Å; A61-L174 HydrophobicContact CB-CD1 3.92Å; A61-L174 HydrophobicContact CB-CD2 3.7Å; A61-L174 HydrophobicContact CB-CG 4.49Å
62	F	77.4	Confident	69.6	Low	58 Å²	58	62 Å²	62	25%	0.254	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-49	176.3	176.9	-108.9	0	0	0	112.5	G58 T60 C64 L65 L66 L155	G58-F62 VanDerWaalsContact O-CB 3.32Å; G58-F62 WeakPolarHBondContact O-CB 3.47Å; G58-F62 PolarHBondContact O-N 2.94Å; T60-F62 VanDerWaalsContact C-N 3.33Å; T60-F62 PolarHBondContact O-N 2.85Å; F62-C64 VanDerWaalsContact C-N 3.31Å; F62-C64 PolarHBondContact O-N 3.27Å; F62-L65 PolarHBondContact O-N 3.37Å; F62-L66 HydrophobicContact CE1-CD2 3.98Å; F62-L66 HydrophobicContact CZ-CD2 3.98Å; F62-L66 WeakPolarHBondContact O-CB 3.16Å; F62-L66 PolarHBondContact O-N 2.92Å; F62-L155 HydrophobicContact CB-CD1 4.04Å; F62-L155 HydrophobicContact CB-CD2 4.37Å; F62-L155 HydrophobicContact CD2-CD1 4.48Å; F62-L155 HydrophobicContact CD2-CD2 3.72Å; F62-L155 HydrophobicContact CD2-CG 4.47Å; F62-L155 HydrophobicContact CE2-CD2 4.37Å; F62-L155 HydrophobicContact CG-CD2 4.28Å
63	K	82.1	Confident	70.8	Confident	147 Å²	147	53.6 Å²	53.6	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-60.8	-42	178	-73	172.3	-177.8	180	0	111.6	S59 T60 S67	S59-K63 VanDerWaalsContact O-CG 3.3Å; S59-K63 WeakPolarHBondContact O-CG 3.38Å; S59-K63 PolarHBondContact O-N 3.27Å; T60-K63 PolarHBondContact O-N 2.92Å; K63-S67 VanDerWaalsContact O-CB 3.22Å; K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.44Å; K63-S67 PolarHBondContact O-OG 3.23Å
64	C	80.8	Confident	71.8	Confident	53 Å²	53	54.1 Å²	54.1	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-50.8	178	-175.1	0	0	0	0	111.1	T60 A61 F62 S67 A68	T60-C64 VanDerWaalsContact O-CB 3.31Å; T60-C64 WeakPolarHBondContact O-CB 3.19Å; T60-C64 PolarHBondContact O-N 3.13Å; A61-C64 PolarHBondContact O-N 3.43Å; F62-C64 VanDerWaalsContact C-N 3.31Å; F62-C64 PolarHBondContact O-N 3.27Å; C64-S67 PolarHBondContact O-N 3.36Å; C64-S67 PolarHBondContact O-OG 2.88Å; C64-A68 VanDerWaalsContact O-CB 3.32Å; C64-A68 WeakPolarHBondContact O-CB 3.34Å; C64-A68 PolarHBondContact O-N 3.36Å
65	L	75.9	Confident	72.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-48.9	176.7	-70.6	168.5	0	0	0	111.2	A61 F62 S67 A68 R69 E154 L174 L177 V178	A61-L65 WeakPolarHBondContact O-CB 3.32Å; A61-L65 VanDerWaalsContact O-CG 3.25Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.38Å; F62-L65 PolarHBondContact O-N 3.37Å; L65-S67 PolarHBondContact O-N 3.17Å; L65-A68 PolarHBondContact O-N 2.71Å; L65-R69 WeakPolarHBondContact O-CB 3.48Å; L65-R69 WeakPolarHBondContact O-CG 3.32Å; L65-R69 PolarHBondContact O-N 3.4Å; L65-E154 HydrophobicContact CD1-CB 4.5Å; L65-L174 HydrophobicContact CD1-CD1 3.79Å; L65-L174 HydrophobicContact CD2-CD1 4.16Å; L65-L174 HydrophobicContact CG-CD1 3.97Å; L65-L177 HydrophobicContact CD2-CB 4.26Å; L65-L177 HydrophobicContact CD2-CD2 4.44Å; L65-V178 HydrophobicContact CD2-CG2 3.64Å; L65-V178 HydrophobicContact CG-CG2 4.38Å
66	L	78.8	Confident	73	Confident	39 Å²	39	52.3 Å²	52.3	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-46.6	-179.4	-177	64.6	0	0	0	111.7	F62 R69 L70 F148 C151	F62-L66 HydrophobicContact CE1-CD2 3.98Å; F62-L66 HydrophobicContact CZ-CD2 3.98Å; F62-L66 WeakPolarHBondContact O-CB 3.16Å; F62-L66 PolarHBondContact O-N 2.92Å; L66-R69 PolarHBondContact O-N 3.08Å; L66-L70 HydrophobicContact CD1-CD1 4.02Å; L66-L70 HydrophobicContact CD1-CG 4.14Å; L66-L70 HydrophobicContact CD2-CD1 4.48Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.36Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.93Å; L66-F148 HydrophobicContact CD1-CD2 4.05Å; L66-C151 HydrophobicContact CD1-CB 4.34Å
67	S	81.3	Confident	72.8	Confident	61 Å²	61	57.7 Å²	57.7	43%	0.427	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-45.4	-179.7	64.9	0	0	0	0	111.5	K63 C64 L65 R69 L70 C71	K63-S67 VanDerWaalsContact O-CB 3.22Å; K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.44Å; K63-S67 PolarHBondContact O-OG 3.23Å; C64-S67 PolarHBondContact O-N 3.36Å; C64-S67 PolarHBondContact O-OG 2.88Å; L65-S67 PolarHBondContact O-N 3.17Å; S67-R69 VanDerWaalsContact C-N 3.33Å; S67-R69 PolarHBondContact O-N 2.93Å; S67-L70 PolarHBondContact O-N 3.43Å; S67-C71 WeakPolarHBondContact O-CB 3.47Å; S67-C71 PolarHBondContact O-N 3.39Å; S67-C71 PolarHBondContact O-SG 3.08Å
68	A	76.6	Confident	72.4	Confident	26 Å²	26	55.7 Å²	55.7	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-47.8	177.4	0	0	0	0	0	109.7	C64 L65 C71 A72 F184	C64-A68 VanDerWaalsContact O-CB 3.32Å; C64-A68 WeakPolarHBondContact O-CB 3.34Å; C64-A68 PolarHBondContact O-N 3.36Å; L65-A68 PolarHBondContact O-N 2.71Å; A68-C71 WeakPolarHBondContact O-CB 3.48Å; A68-C71 PolarHBondContact O-N 2.93Å; A68-A72 PolarHBondContact O-N 3.47Å; A68-F184 VanDerWaalsContact C-CE1 3.41Å; A68-F184 HydrophobicContact CB-CE2 4.3Å; A68-F184 HydrophobicContact CB-CZ 3.55Å; A68-F184 WeakPolarHBondContact O-CE1 3.29Å; A68-F184 WeakPolarHBondContact O-CZ 3.11Å
69	R	74.8	Confident	71.8	Confident	6 Å²	6	58.6 Å²	58.6	2%	0.023	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-42.1	-179.3	-64.8	-70.6	170.5	154.8	-0	113.6	L65 L66 S67 A72 A73 A147 E154 M183 F184 S187	L65-R69 WeakPolarHBondContact O-CB 3.48Å; L65-R69 WeakPolarHBondContact O-CG 3.32Å; L65-R69 PolarHBondContact O-N 3.4Å; L66-R69 PolarHBondContact O-N 3.08Å; S67-R69 VanDerWaalsContact C-N 3.33Å; S67-R69 PolarHBondContact O-N 2.93Å; R69-A72 PolarHBondContact O-N 3Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 3.12Å; R69-A147 HydrophobicContact CB-CB 4.42Å; R69-E154 IonicContact CZ-OE1 2.89Å; R69-E154 IonicContact CZ-OE2 2.89Å; R69-E154 IonicContact NE-OE1 3.88Å; R69-E154 PolarHBondContact NE-OE1 3.44Å; R69-E154 IonicContact NE-OE2 3.19Å; R69-E154 IonicContact NH1-OE1 3.56Å; R69-E154 PolarHBondContact NH1-OE1 3.4Å; R69-E154 IonicContact NH2-OE1 2.8Å; R69-E154 PolarHBondContact NH2-OE1 2.83Å; R69-E154 IonicContact NH2-OE2 3.38Å; R69-E154 PolarHBondContact NH2-OE2 3.33Å; R69-M183 PolarHBondContact NH1-O 3.22Å; R69-F184 VanDerWaalsContact CA-CE1 3.45Å; R69-F184 HydrophobicContact CB-CE1 4.42Å; R69-F184 HydrophobicContact CG-CE1 4.26Å; R69-F184 HydrophobicContact CG-CZ 4.08Å; R69-S187 PolarHBondContact NH1-OG 2.96Å
70	L	71.5	Confident	71.1	Confident	60 Å²	60	61.3 Å²	61.3	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-41	173.9	-72.5	173.5	0	0	0	111.6	L66 S67 A72 A73 L74 C144	L66-L70 HydrophobicContact CD1-CD1 4.02Å; L66-L70 HydrophobicContact CD1-CG 4.14Å; L66-L70 HydrophobicContact CD2-CD1 4.48Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.36Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.93Å; S67-L70 PolarHBondContact O-N 3.43Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 2.89Å; L70-A73 PolarHBondContact O-N 3.04Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.2Å; L70-C144 HydrophobicContact CD2-CB 4.47Å
71	C	73.6	Confident	70.2	Confident	68 Å²	68	62 Å²	62	46%	0.459	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-43.4	175.6	-75.9	0	0	0	0	111.5	S67 A68 L74 L75	S67-C71 WeakPolarHBondContact O-CB 3.47Å; S67-C71 PolarHBondContact O-N 3.39Å; S67-C71 PolarHBondContact O-SG 3.08Å; A68-C71 WeakPolarHBondContact O-CB 3.48Å; A68-C71 PolarHBondContact O-N 2.93Å; C71-L74 PolarHBondContact O-N 3.22Å; C71-L75 HydrophobicContact CB-CD1 4.38Å; C71-L75 WeakPolarHBondContact O-CB 3.35Å; C71-L75 VanDerWaalsContact O-CG 3.22Å; C71-L75 WeakPolarHBondContact O-CG 3.35Å; C71-L75 PolarHBondContact O-N 3.49Å
72	A	67.9	Low	69.3	Low	27 Å²	27	65.7 Å²	65.7	22%	0.223	38%	0.376	C	S	.	.	H	α-helix	trans	-70.6	-36.7	175.4	0	0	0	0	0	113.2	A68 R69 L70 L74 L75 S76 F184	A68-A72 PolarHBondContact O-N 3.47Å; R69-A72 PolarHBondContact O-N 3Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 2.89Å; A72-L74 PolarHBondContact O-N 3.34Å; A72-L75 PolarHBondContact O-N 3.3Å; A72-S76 WeakPolarHBondContact O-CA 3.4Å; A72-S76 WeakPolarHBondContact O-CB 3.4Å; A72-S76 PolarHBondContact O-N 3.49Å; A72-F184 HydrophobicContact CB-CD1 3.11Å; A72-F184 HydrophobicContact CB-CE1 3.19Å; A72-F184 HydrophobicContact CB-CG 4.36Å
73	A	66.3	Low	68.7	Low	4 Å²	4	63.7 Å²	63.7	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-29.7	176.1	0	0	0	0	0	112.5	R69 L70 R143 A147	R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 3.12Å; L70-A73 PolarHBondContact O-N 3.04Å; A73-R143 HydrophobicContact CB-CB 4.49Å; A73-A147 HydrophobicContact CB-CB 4.12Å
74	L	67.1	Low	68	Low	100 Å²	100	58.5 Å²	58.5	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-91	-36.1	178.9	-65.7	172.8	0	0	0	113.8	L70 C71 A72 Y140	L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.2Å; C71-L74 PolarHBondContact O-N 3.22Å; A72-L74 PolarHBondContact O-N 3.34Å; L74-Y140 HydrophobicContact CD2-CD1 4.2Å
75	L	64.4	Low	67.1	Low	146 Å²	146	61.5 Å²	61.5	76%	0.764	36%	0.355	S	S	*	.	H	α-helix	trans	-93.4	-19.8	-176.6	-63.8	171.7	0	0	0	113.4	C71 A72 N77	C71-L75 HydrophobicContact CB-CD1 4.38Å; C71-L75 WeakPolarHBondContact O-CB 3.35Å; C71-L75 VanDerWaalsContact O-CG 3.22Å; C71-L75 WeakPolarHBondContact O-CG 3.35Å; C71-L75 PolarHBondContact O-N 3.49Å; A72-L75 PolarHBondContact O-N 3.3Å; L75-N77 PolarHBondContact O-N 3.01Å
76	S	64.8	Low	66.9	Low	36 Å²	36	61.8 Å²	61.8	25%	0.252	36%	0.356	S	S	.	.	S	Bend	trans	-71	101.9	171.2	-176.1	0	0	0	0	108	A72	A72-S76 WeakPolarHBondContact O-CA 3.4Å; A72-S76 WeakPolarHBondContact O-CB 3.4Å; A72-S76 PolarHBondContact O-N 3.49Å
77	N	56.7	Low	66.4	Low	127 Å²	127	60.8 Å²	60.8	68%	0.679	35%	0.35	S	S	*	.			trans	-57.9	147.4	168.1	-169.9	35	0	0	0	109.3	L75 S79	L75-N77 PolarHBondContact O-N 3.01Å; N77-S79 PolarHBondContact O-N 3.35Å; N77-S79 PolarHBondContact O-OG 2.94Å
78	I	62.2	Low	65.9	Low	60 Å²	60	59.7 Å²	59.7	31%	0.308	34%	0.337	S	S	.	.			trans	-50.6	106.7	173.2	-79.5	87.6	0	0	0	107.4	F139	I78-F139 HydrophobicContact CD1-CD1 4.5Å; I78-F139 HydrophobicContact CD1-CE1 3.45Å; I78-F139 VanDerWaalsContact CD1-CE1 3.45Å; I78-F139 HydrophobicContact CD1-CZ 3.59Å; I78-F139 HydrophobicContact CG1-CE1 3.99Å; I78-F139 HydrophobicContact CG1-CZ 3.57Å
79	S	56.4	Low	65.6	Low	96 Å²	96	60.3 Å²	60.3	67%	0.671	34%	0.335	S	S	*	.			trans	-95.7	-27	-173.8	-61.4	0	0	0	0	110.7	N77	N77-S79 PolarHBondContact O-N 3.35Å; N77-S79 PolarHBondContact O-OG 2.94Å
80	D	58.2	Low	65.3	Low	100 Å²	100	60.1 Å²	60.1	54%	0.535	34%	0.335	S	S	.	.			trans	-118.3	122.7	176.8	-88.2	-42.3	0	0	0	111.9	D82 E83	D80-D82 PolarHBondContact O-N 3.2Å; D80-E83 HydrophobicContact CB-CG 4.41Å; D80-E83 PolarHBondContact O-N 2.91Å
81	C	60.8	Low	65.3	Low	86 Å²	86	57.3 Å²	57.3	58%	0.581	32%	0.32	S	S	*	.	H	α-helix	trans	-61.7	-30.5	174.8	-62.3	0	0	0	0	111.6	E83 T84 F85	C81-E83 VanDerWaalsContact C-N 3.29Å; C81-E83 PolarHBondContact O-N 3.42Å; C81-T84 PolarHBondContact O-N 2.83Å; C81-T84 VanDerWaalsContact O-N 3.15Å; C81-F85 HydrophobicContact CB-CD2 4Å; C81-F85 HydrophobicContact CB-CE2 4.27Å; C81-F85 WeakPolarHBondContact O-CD2 3.25Å; C81-F85 PolarHBondContact O-N 3.35Å
82	D	58.3	Low	65.1	Low	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-33.6	-178.5	-166.6	65.3	0	0	0	112.7	D80 T84 N86	D80-D82 PolarHBondContact O-N 3.2Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.83Å; D82-N86 WeakPolarHBondContact O-CA 3.19Å; D82-N86 WeakPolarHBondContact O-CB 3.3Å; D82-N86 PolarHBondContact O-N 3.46Å; D82-N86 WeakPolarHBondContact OD1-CB 3.31Å; D82-N86 PolarHBondContact OD1-ND2 2.89Å
83	E	63.9	Low	65.3	Low	16 Å²	16	58.2 Å²	58.2	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-40.4	176.4	-66.3	-179	-178.9	0	0	112.3	D80 C81 Y87 W88 R143 V189	D80-E83 HydrophobicContact CB-CG 4.41Å; D80-E83 PolarHBondContact O-N 2.91Å; C81-E83 VanDerWaalsContact C-N 3.29Å; C81-E83 PolarHBondContact O-N 3.42Å; E83-Y87 PolarHBondContact O-N 3.26Å; E83-W88 PolarHBondContact O-N 3.37Å; E83-W88 VanDerWaalsContact O-N 3.09Å; E83-R143 IonicContact OE2-CZ 3.61Å; E83-R143 IonicContact OE2-NH1 3.53Å; E83-R143 PolarHBondContact OE2-NH1 2.86Å; E83-R143 IonicContact OE2-NH2 3.43Å; E83-R143 PolarHBondContact OE2-NH2 2.92Å; E83-V189 VanDerWaalsContact OE1-CA 3.26Å; E83-V189 WeakPolarHBondContact OE1-CA 3.34Å; E83-V189 WeakPolarHBondContact OE1-CG2 3.22Å
84	T	66.9	Low	65.6	Low	37 Å²	37	61.6 Å²	61.6	23%	0.227	33%	0.327	C	S	.	.	I	π-helix	trans	-77.8	-47.4	-176.3	-55.8	0	0	0	0	110.5	C81 D82 W88 E89	C81-T84 PolarHBondContact O-N 2.83Å; C81-T84 VanDerWaalsContact O-N 3.15Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.83Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 3.36Å; T84-E89 WeakPolarHBondContact O-CB 3.41Å; T84-E89 PolarHBondContact O-N 3.41Å
85	F	63.8	Low	65.7	Low	117 Å²	117	59.3 Å²	59.3	51%	0.513	31%	0.314	S	S	.	.	I	π-helix	trans	-81.3	-32.8	-175.5	-71.7	-76.4	0	0	0	113.1	C81 E89 P90 T102	C81-F85 HydrophobicContact CB-CD2 4Å; C81-F85 HydrophobicContact CB-CE2 4.27Å; C81-F85 WeakPolarHBondContact O-CD2 3.25Å; C81-F85 PolarHBondContact O-N 3.35Å; F85-E89 WeakPolarHBondContact CD1-OE2 3.24Å; F85-P90 WeakPolarHBondContact O-CD 3.43Å; F85-T102 WeakPolarHBondContact O-CG2 3.22Å
86	N	70.2	Confident	65.9	Low	6 Å²	6	57.2 Å²	57.2	3%	0.032	30%	0.297	C	S	.	.	I	π-helix	trans	-100.4	-16.2	-170.9	-135.8	-1.4	0	0	0	113.8	D82 T102 E104 Y105 R112	D82-N86 WeakPolarHBondContact O-CA 3.19Å; D82-N86 WeakPolarHBondContact O-CB 3.3Å; D82-N86 PolarHBondContact O-N 3.46Å; D82-N86 WeakPolarHBondContact OD1-CB 3.31Å; D82-N86 PolarHBondContact OD1-ND2 2.89Å; N86-T102 PolarHBondContact OD1-OG1 2.78Å; N86-E104 PolarHBondContact ND2-OE1 3.38Å; N86-E104 PolarHBondContact ND2-OE2 2.89Å; N86-E104 PolarHBondContact OD1-OE2 2.77Å; N86-Y105 WeakPolarHBondContact O-CE2 3.48Å; N86-Y105 PolarHBondContact O-OH 2.94Å; N86-R112 PolarHBondContact ND2-NH1 2.96Å
87	Y	69.6	Low	66.1	Low	18 Å²	18	57.9 Å²	57.9	7%	0.071	31%	0.31	C	S	.	.	I	π-helix	trans	-124.5	-49	177.6	-62.2	-86.1	0	0	0	113	E83 T91 R112 Y116 L117 Y190	E83-Y87 PolarHBondContact O-N 3.26Å; Y87-T91 VanDerWaalsContact O-CB 3.27Å; Y87-T91 WeakPolarHBondContact O-CB 3.42Å; Y87-T91 PolarHBondContact O-N 3.39Å; Y87-T91 PolarHBondContact O-OG1 3.03Å; Y87-R112 PolarHBondContact OH-NH2 2.89Å; Y87-R112 VanDerWaalsContact OH-NH2 3.1Å; Y87-Y116 HydrophobicContact CD1-CD1 4.13Å; Y87-Y116 HydrophobicContact CD1-CE1 4.3Å; Y87-Y116 HydrophobicContact CE1-CD1 4.2Å; Y87-Y116 HydrophobicContact CE1-CE1 4.41Å; Y87-L117 HydrophobicContact CD1-CD1 4.29Å; Y87-Y190 AromaticContact CD1-CD1 3.71Å; Y87-Y190 HydrophobicContact CD1-CD1 3.71Å; Y87-Y190 HydrophobicContact CD1-CE1 4.49Å; Y87-Y190 AromaticContact CG-CD1 3.73Å; Y87-Y190 HydrophobicContact CG-CD1 3.73Å; Y87-Y190 HydrophobicContact CG-CG 4.21Å
88	W	70.7	Confident	66.3	Low	39 Å²	39	58.8 Å²	58.8	15%	0.148	31%	0.31	C	S	.	.	I	π-helix	trans	-69.7	-47.3	-177.9	173.2	-106.4	0	0	0	112.6	E83 T84 T91 H92 K135 V138 F139 L142	E83-W88 PolarHBondContact O-N 3.37Å; E83-W88 VanDerWaalsContact O-N 3.09Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 3.36Å; W88-T91 PolarHBondContact O-N 3.06Å; W88-H92 WeakPolarHBondContact O-CB 3.41Å; W88-H92 PolarHBondContact O-N 3.39Å; W88-K135 WeakPolarHBondContact CZ2-O 3.44Å; W88-V138 HydrophobicContact CH2-CB 3.7Å; W88-V138 HydrophobicContact CH2-CG1 3.55Å; W88-V138 HydrophobicContact CZ3-CB 4.4Å; W88-V138 HydrophobicContact CZ3-CG1 3.84Å; W88-F139 HydrophobicContact CD2-CB 4.5Å; W88-F139 AromaticContact CD2-CD2 3.9Å; W88-F139 HydrophobicContact CD2-CD2 3.9Å; W88-F139 HydrophobicContact CE3-CD2 4.12Å; W88-F139 HydrophobicContact CG-CD2 4.1Å; W88-F139 HydrophobicContact CH2-CB 4.17Å; W88-F139 HydrophobicContact CZ2-CB 4.09Å; W88-F139 HydrophobicContact CZ3-CB 4.38Å; W88-L142 HydrophobicContact CE3-CD1 4.01Å; W88-L142 HydrophobicContact CZ3-CD1 3.6Å
89	E	69.8	Low	66.5	Low	39 Å²	39	57.8 Å²	57.8	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-42.5	-177.4	-159.4	170.3	-168.3	0	0	113.7	T84 F85 T91 H92 Y93 F100	T84-E89 WeakPolarHBondContact O-CB 3.41Å; T84-E89 PolarHBondContact O-N 3.41Å; F85-E89 WeakPolarHBondContact CD1-OE2 3.24Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 3.25Å; E89-H92 WeakPolarHBondContact O-CB 3.47Å; E89-H92 PolarHBondContact O-N 2.9Å; E89-Y93 PolarHBondContact O-N 2.8Å; E89-F100 HydrophobicContact CG-CB 4.4Å; E89-F100 WeakPolarHBondContact OE1-CB 3.33Å; E89-F100 WeakPolarHBondContact OE1-CD2 3.28Å; E89-F100 PolarHBondContact OE1-N 3.31Å
90	P	69.3	Low	66.8	Low	2 Å²	2	60.8 Å²	60.8	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-72.7	-26.3	174.9	-11.2	26.6	0	0	0	112.3	F85 Y93 L94 Y105 L117	F85-P90 WeakPolarHBondContact O-CD 3.43Å; P90-Y93 PolarHBondContact O-N 3.38Å; P90-L94 PolarHBondContact O-N 3.47Å; P90-Y105 HydrophobicContact CB-CD2 4.28Å; P90-Y105 HydrophobicContact CG-CD2 4.06Å; P90-Y105 HydrophobicContact CG-CE2 4.12Å; P90-L117 HydrophobicContact CB-CD2 3.61Å; P90-L117 HydrophobicContact CG-CD2 4.36Å
91	T	69.6	Low	67.2	Low	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-39.5	170.7	-59.7	0	0	0	0	110.9	Y87 W88 E89 L94 I95 L117 A121	Y87-T91 VanDerWaalsContact O-CB 3.27Å; Y87-T91 WeakPolarHBondContact O-CB 3.42Å; Y87-T91 PolarHBondContact O-N 3.39Å; Y87-T91 PolarHBondContact O-OG1 3.03Å; W88-T91 PolarHBondContact O-N 3.06Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 3.25Å; T91-L94 PolarHBondContact O-N 2.94Å; T91-I95 HydrophobicContact CG2-CD1 3.87Å; T91-I95 WeakPolarHBondContact O-CG1 3.46Å; T91-I95 PolarHBondContact O-N 3.22Å; T91-I95 VanDerWaalsContact O-N 3.1Å; T91-L117 WeakPolarHBondContact OG1-CD2 3.3Å; T91-L117 WeakPolarHBondContact OG1-CG 3.41Å; T91-A121 HydrophobicContact CG2-CB 4.23Å
92	H	70.8	Confident	67.5	Low	28 Å²	28	56.8 Å²	56.8	13%	0.13	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-43.4	173	-175.5	-80	0	0	0	111.1	W88 E89 L94 I95 Y96 E98	W88-H92 WeakPolarHBondContact O-CB 3.41Å; W88-H92 PolarHBondContact O-N 3.39Å; E89-H92 WeakPolarHBondContact O-CB 3.47Å; E89-H92 PolarHBondContact O-N 2.9Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 3.48Å; H92-I95 PolarHBondContact O-N 2.99Å; H92-Y96 AromaticContact CD2-CD2 3.44Å; H92-Y96 VanDerWaalsContact CD2-CD2 3.44Å; H92-Y96 WeakPolarHBondContact CD2-CD2 3.5Å; H92-Y96 AromaticContact CD2-CE2 3.77Å; H92-Y96 AromaticContact CE1-CD2 3.82Å; H92-Y96 AromaticContact CG-CD2 3.81Å; H92-Y96 AromaticContact NE2-CD2 3.48Å; H92-Y96 WeakPolarHBondContact NE2-CD2 3.37Å; H92-Y96 AromaticContact NE2-CE2 3.95Å; H92-Y96 AromaticContact NE2-CG 3.96Å; H92-Y96 WeakPolarHBondContact O-CB 3.1Å; H92-Y96 PolarHBondContact O-N 3.19Å; H92-E98 PolarHBondContact CE1-O 2.98Å; H92-E98 PolarHBondContact ND1-O 3.45Å
93	Y	72.4	Confident	67.9	Low	87 Å²	87	62.2 Å²	62.2	34%	0.341	30%	0.302	S	S	.	.	H	α-helix	trans	-57.4	-42	173.3	-178	-102	0	0	0	111.7	E89 P90 I95 G97 G99 Q101	E89-Y93 PolarHBondContact O-N 2.8Å; P90-Y93 PolarHBondContact O-N 3.38Å; Y93-I95 PolarHBondContact O-N 3.44Å; Y93-G97 WeakPolarHBondContact O-CA 3.43Å; Y93-G97 PolarHBondContact O-N 3.41Å; Y93-G99 VanDerWaalsContact CD2-O 3.29Å; Y93-G99 WeakPolarHBondContact CD2-O 3.05Å; Y93-Q101 HydrophobicContact CD1-CB 4.5Å; Y93-Q101 HydrophobicContact CE1-CB 4.47Å
94	L	71	Confident	68	Low	75 Å²	75	63.7 Å²	63.7	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-34.6	178.8	-139	83.3	0	0	0	113.7	P90 T91 H92 Y114 L118	P90-L94 PolarHBondContact O-N 3.47Å; T91-L94 PolarHBondContact O-N 2.94Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 3.48Å; L94-Y114 HydrophobicContact CD1-CD1 4.16Å; L94-Y114 HydrophobicContact CD1-CE1 4.18Å; L94-L118 HydrophobicContact CD2-CD2 3.47Å; L94-L118 VanDerWaalsContact CD2-CD2 3.47Å; L94-L118 HydrophobicContact CD2-CG 3.97Å
95	I	69.3	Low	67.7	Low	52 Å²	52	62 Å²	62	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-88.5	-39.9	-175.1	-65.8	169.9	0	0	0	111.9	T91 H92 Y93 A121 A124 A128	T91-I95 HydrophobicContact CG2-CD1 3.87Å; T91-I95 WeakPolarHBondContact O-CG1 3.46Å; T91-I95 PolarHBondContact O-N 3.22Å; T91-I95 VanDerWaalsContact O-N 3.1Å; H92-I95 PolarHBondContact O-N 2.99Å; Y93-I95 PolarHBondContact O-N 3.44Å; I95-A121 HydrophobicContact CD1-CB 4.31Å; I95-A121 HydrophobicContact CG1-CB 4.41Å; I95-A124 HydrophobicContact CD1-CB 3.59Å; I95-A128 HydrophobicContact CG2-CB 4.44Å
96	Y	69.1	Low	67.9	Low	101 Å²	101	58 Å²	58	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-107.5	-12.1	-172.6	-65	-81.1	0	0	0	113.6	H92 E98	H92-Y96 AromaticContact CD2-CD2 3.44Å; H92-Y96 VanDerWaalsContact CD2-CD2 3.44Å; H92-Y96 WeakPolarHBondContact CD2-CD2 3.5Å; H92-Y96 AromaticContact CD2-CE2 3.77Å; H92-Y96 AromaticContact CE1-CD2 3.82Å; H92-Y96 AromaticContact CG-CD2 3.81Å; H92-Y96 AromaticContact NE2-CD2 3.48Å; H92-Y96 WeakPolarHBondContact NE2-CD2 3.37Å; H92-Y96 AromaticContact NE2-CE2 3.95Å; H92-Y96 AromaticContact NE2-CG 3.96Å; H92-Y96 WeakPolarHBondContact O-CB 3.1Å; H92-Y96 PolarHBondContact O-N 3.19Å; Y96-E98 PolarHBondContact O-N 3Å
97	G	68.9	Low	67.6	Low	51 Å²	51	63.1 Å²	63.1	53%	0.526	32%	0.318	S	S	.	.	S	Bend	trans	73.8	5.2	-176.6	0	0	0	0	0	114.5	Y93	Y93-G97 WeakPolarHBondContact O-CA 3.43Å; Y93-G97 PolarHBondContact O-N 3.41Å
98	E	61.5	Low	67.4	Low	145 Å²	145	66 Å²	66	68%	0.678	35%	0.345	S	S	*	.			trans	-130.6	131.2	-173.4	-71.7	-81.6	150.7	0	0	109.1	H92 Y96	H92-E98 PolarHBondContact CE1-O 2.98Å; H92-E98 PolarHBondContact ND1-O 3.45Å; Y96-E98 PolarHBondContact O-N 3Å
99	G	66.8	Low	66.9	Low	39 Å²	39	72.1 Å²	72.1	40%	0.402	37%	0.37	S	S	.	.	S	Bend	trans	141.5	170.4	-179.3	0	0	0	0	0	113.7	Y93	Y93-G99 VanDerWaalsContact CD2-O 3.29Å; Y93-G99 WeakPolarHBondContact CD2-O 3.05Å
100	F	62.3	Low	66.3	Low	160 Å²	160	73.5 Å²	73.5	70%	0.702	39%	0.388	S	S	*	.			trans	-79.5	127.1	173.9	-80.6	-84.9	0	0	0	111.8	E89	E89-F100 HydrophobicContact CG-CB 4.4Å; E89-F100 WeakPolarHBondContact OE1-CB 3.33Å; E89-F100 WeakPolarHBondContact OE1-CD2 3.28Å; E89-F100 PolarHBondContact OE1-N 3.31Å
101	Q	65.4	Low	65.9	Low	73 Å²	73	79.7 Å²	79.7	34%	0.341	42%	0.42	S	S	.	.			trans	-90.6	115.3	167.1	-173.3	-178.8	11.9	0	0	108.4	Y93 Y114	Y93-Q101 HydrophobicContact CD1-CB 4.5Å; Y93-Q101 HydrophobicContact CE1-CB 4.47Å; Q101-Y114 PolarHBondContact NE2-OH 2.88Å
102	T	67.9	Low	65.7	Low	28 Å²	28	83.6 Å²	83.6	17%	0.172	43%	0.434	C	S	.	.			trans	-69.7	149.7	176	64.3	0	0	0	0	110.5	F85 N86 E104 Y105 S106	F85-T102 WeakPolarHBondContact O-CG2 3.22Å; N86-T102 PolarHBondContact OD1-OG1 2.78Å; T102-E104 PolarHBondContact O-N 2.84Å; T102-E104 VanDerWaalsContact O-N 3.09Å; T102-Y105 PolarHBondContact O-N 3.24Å; T102-Y105 VanDerWaalsContact O-N 3.08Å; T102-Y105 VanDerWaalsContact OG1-CD2 3.27Å; T102-Y105 WeakPolarHBondContact OG1-CD2 3.32Å; T102-S106 PolarHBondContact O-N 3.45Å
103	W	66.3	Low	65.4	Low	194 Å²	194	86.3 Å²	86.3	74%	0.735	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.7	-177.2	57.6	72.3	0	0	0	113.2	Y105 S106	W103-Y105 PolarHBondContact O-N 3.23Å; W103-S106 WeakPolarHBondContact O-CB 3.46Å; W103-S106 PolarHBondContact O-N 3.27Å
104	E	66.9	Low	65	Low	46 Å²	46	85.3 Å²	85.3	22%	0.215	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.1	176.9	-64.8	-177.1	-161.3	0	0	112.9	N86 T102 I111 R112	N86-E104 PolarHBondContact ND2-OE1 3.38Å; N86-E104 PolarHBondContact ND2-OE2 2.89Å; N86-E104 PolarHBondContact OD1-OE2 2.77Å; T102-E104 PolarHBondContact O-N 2.84Å; T102-E104 VanDerWaalsContact O-N 3.09Å; E104-I111 PolarHBondContact O-N 3.42Å; E104-R112 PolarHBondContact O-N 3.19Å; E104-R112 IonicContact OE2-CZ 3.91Å; E104-R112 IonicContact OE2-NE 3.36Å; E104-R112 IonicContact OE2-NH1 2.76Å; E104-R112 PolarHBondContact OE2-NH1 3.47Å
105	Y	61	Low	64.5	Low	2 Å²	2	85 Å²	85	1%	0.008	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.3	-179.8	-70.1	-74	0	0	0	112.4	N86 P90 T102 W103 R112 Y114 L117	N86-Y105 WeakPolarHBondContact O-CE2 3.48Å; N86-Y105 PolarHBondContact O-OH 2.94Å; P90-Y105 HydrophobicContact CB-CD2 4.28Å; P90-Y105 HydrophobicContact CG-CD2 4.06Å; P90-Y105 HydrophobicContact CG-CE2 4.12Å; T102-Y105 PolarHBondContact O-N 3.24Å; T102-Y105 VanDerWaalsContact O-N 3.08Å; T102-Y105 VanDerWaalsContact OG1-CD2 3.27Å; T102-Y105 WeakPolarHBondContact OG1-CD2 3.32Å; W103-Y105 PolarHBondContact O-N 3.23Å; Y105-R112 HydrophobicContact CD1-CB 4.21Å; Y105-R112 HydrophobicContact CE1-CB 3.71Å; Y105-R112 WeakPolarHBondContact OH-CD 3.41Å; Y105-Y114 VanDerWaalsContact C-OH 3.3Å; Y105-Y114 WeakPolarHBondContact CB-OH 3.05Å; Y105-Y114 AromaticContact CD1-CD1 3.99Å; Y105-Y114 HydrophobicContact CD1-CD1 3.99Å; Y105-Y114 HydrophobicContact CD1-CD2 4.36Å; Y105-Y114 AromaticContact CD1-CE1 3.91Å; Y105-Y114 HydrophobicContact CD1-CE1 3.91Å; Y105-Y114 HydrophobicContact CD1-CE2 4.27Å; Y105-Y114 HydrophobicContact CD1-CG 4.25Å; Y105-Y114 HydrophobicContact CG-CE1 4.15Å; Y105-Y114 WeakPolarHBondContact O-CE2 3.1Å; Y105-Y114 PolarHBondContact O-OH 3.44Å; Y105-L117 HydrophobicContact CE1-CD1 3.57Å; Y105-L117 HydrophobicContact CE1-CD2 4.39Å; Y105-L117 VanDerWaalsContact OH-CD1 3.26Å; Y105-L117 WeakPolarHBondContact OH-CD1 3.24Å
106	S	66.3	Low	64.2	Low	32 Å²	32	84.9 Å²	84.9	22%	0.224	46%	0.458	C	S	.	.	S	Bend	trans	-57.2	135.5	178.6	175.8	0	0	0	0	111.1	T102 W103 A108 Y109 A110	T102-S106 PolarHBondContact O-N 3.45Å; W103-S106 WeakPolarHBondContact O-CB 3.46Å; W103-S106 PolarHBondContact O-N 3.27Å; S106-A108 PolarHBondContact O-N 2.93Å; S106-A108 PolarHBondContact OG-N 3.4Å; S106-Y109 PolarHBondContact O-N 2.93Å; S106-A110 PolarHBondContact O-N 3.45Å
107	P	64	Low	64	Low	115 Å²	115	80.1 Å²	80.1	75%	0.747	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.9	179.6	22.7	-31.8	0	0	0	113.5
108	A	65.6	Low	63.7	Low	77 Å²	77	82.4 Å²	82.4	64%	0.636	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-27.3	174.4	0	0	0	0	0	114	S106	S106-A108 PolarHBondContact O-N 2.93Å; S106-A108 PolarHBondContact OG-N 3.4Å
109	Y	59.9	Low	63.9	Low	168 Å²	168	81 Å²	81	66%	0.659	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-31.8	-173.8	-63.3	-77.8	0	0	0	113.6	S106 I111	S106-Y109 PolarHBondContact O-N 2.93Å; Y109-I111 WeakPolarHBondContact O-CG1 3.2Å; Y109-I111 PolarHBondContact O-N 2.92Å
110	A	58	Low	63.9	Low	69 Å²	69	80 Å²	80	57%	0.57	42%	0.42	S	S	*	.			trans	42.5	39.7	169.5	0	0	0	0	0	115.9	S106 R112	S106-A110 PolarHBondContact O-N 3.45Å; A110-R112 VanDerWaalsContact C-N 3.34Å
111	I	60.1	Low	63.8	Low	131 Å²	131	72.9 Å²	72.9	67%	0.672	39%	0.39	S	S	*	.			trans	-73.7	-28.8	-175.5	-63.4	173.6	0	0	0	110.8	E104 Y109	E104-I111 PolarHBondContact O-N 3.42Å; Y109-I111 WeakPolarHBondContact O-CG1 3.2Å; Y109-I111 PolarHBondContact O-N 2.92Å
112	R	65.9	Low	63.7	Low	82 Å²	82	79.2 Å²	79.2	31%	0.309	41%	0.411	S	S	.	.	S	Bend	trans	-116.8	134.6	171.8	-96.9	-176.5	-176.5	148.8	-7.3	111.9	N86 Y87 E104 Y105 A110	N86-R112 PolarHBondContact ND2-NH1 2.96Å; Y87-R112 PolarHBondContact OH-NH2 2.89Å; Y87-R112 VanDerWaalsContact OH-NH2 3.1Å; E104-R112 PolarHBondContact O-N 3.19Å; E104-R112 IonicContact OE2-CZ 3.91Å; E104-R112 IonicContact OE2-NE 3.36Å; E104-R112 IonicContact OE2-NH1 2.76Å; E104-R112 PolarHBondContact OE2-NH1 3.47Å; Y105-R112 HydrophobicContact CD1-CB 4.21Å; Y105-R112 HydrophobicContact CE1-CB 3.71Å; Y105-R112 WeakPolarHBondContact OH-CD 3.41Å; A110-R112 VanDerWaalsContact C-N 3.34Å
113	S	64.5	Low	63.5	Low	86 Å²	86	79.4 Å²	79.4	60%	0.601	41%	0.413	S	S	*	.			trans	-76.7	131.8	175.9	61.2	0	0	0	0	112.2	A115	S113-A115 PolarHBondContact O-N 2.99Å; S113-A115 VanDerWaalsContact O-N 3.12Å
114	Y	63.3	Low	63.4	Low	65 Å²	65	70.2 Å²	70.2	26%	0.255	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.8	173.5	-71.9	-89.7	0	0	0	115.1	L94 Q101 Y105 Y116 L117 L118	L94-Y114 HydrophobicContact CD1-CD1 4.16Å; L94-Y114 HydrophobicContact CD1-CE1 4.18Å; Q101-Y114 PolarHBondContact NE2-OH 2.88Å; Y105-Y114 VanDerWaalsContact C-OH 3.3Å; Y105-Y114 WeakPolarHBondContact CB-OH 3.05Å; Y105-Y114 AromaticContact CD1-CD1 3.99Å; Y105-Y114 HydrophobicContact CD1-CD1 3.99Å; Y105-Y114 HydrophobicContact CD1-CD2 4.36Å; Y105-Y114 AromaticContact CD1-CE1 3.91Å; Y105-Y114 HydrophobicContact CD1-CE1 3.91Å; Y105-Y114 HydrophobicContact CD1-CE2 4.27Å; Y105-Y114 HydrophobicContact CD1-CG 4.25Å; Y105-Y114 HydrophobicContact CG-CE1 4.15Å; Y105-Y114 WeakPolarHBondContact O-CE2 3.1Å; Y105-Y114 PolarHBondContact O-OH 3.44Å; Y114-Y116 PolarHBondContact O-N 3.15Å; Y114-Y116 VanDerWaalsContact O-N 3.15Å; Y114-L117 PolarHBondContact O-N 3.34Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; Y114-L118 PolarHBondContact O-N 2.82Å
115	A	61.5	Low	63.1	Low	68 Å²	68	69.9 Å²	69.9	56%	0.562	38%	0.384	S	S	*	.	H	α-helix	trans	-53.5	-36.7	179.9	0	0	0	0	0	112.1	S113 L119	S113-A115 PolarHBondContact O-N 2.99Å; S113-A115 VanDerWaalsContact O-N 3.12Å; A115-L119 PolarHBondContact O-N 3.39Å; A115-L119 VanDerWaalsContact O-N 3.14Å
116	Y	63.7	Low	63.4	Low	51 Å²	51	76.2 Å²	76.2	20%	0.2	41%	0.411	C	S	.	.	H	α-helix	trans	-64.7	-49.5	176.7	-169.2	-85.2	0	0	0	112.5	Y87 Y114 L118 L119 H120 Y190 L192	Y87-Y116 HydrophobicContact CD1-CD1 4.13Å; Y87-Y116 HydrophobicContact CD1-CE1 4.3Å; Y87-Y116 HydrophobicContact CE1-CD1 4.2Å; Y87-Y116 HydrophobicContact CE1-CE1 4.41Å; Y114-Y116 PolarHBondContact O-N 3.15Å; Y114-Y116 VanDerWaalsContact O-N 3.15Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 3.14Å; Y116-L119 PolarHBondContact O-N 3.49Å; Y116-H120 AromaticContact CE1-CE1 3.89Å; Y116-H120 AromaticContact CZ-CE1 3.62Å; Y116-H120 AromaticContact CZ-NE2 3.92Å; Y116-H120 PolarHBondContact O-N 3.36Å; Y116-H120 PolarHBondContact OH-CE1 3.43Å; Y116-H120 VanDerWaalsContact OH-CE1 3.3Å; Y116-H120 PolarHBondContact OH-NE2 3.23Å; Y116-Y190 HydrophobicContact CD1-CD1 4.25Å; Y116-Y190 HydrophobicContact CD1-CE1 4.39Å; Y116-Y190 AromaticContact CE1-CD1 3.43Å; Y116-Y190 HydrophobicContact CE1-CD1 3.43Å; Y116-Y190 VanDerWaalsContact CE1-CD1 3.43Å; Y116-Y190 AromaticContact CE1-CE1 3.75Å; Y116-Y190 HydrophobicContact CE1-CE1 3.75Å; Y116-Y190 HydrophobicContact CE1-CG 4.45Å; Y116-Y190 WeakPolarHBondContact CE1-O 3.47Å; Y116-Y190 PolarHBondContact OH-O 3.3Å; Y116-L192 HydrophobicContact CD2-CD1 4.27Å; Y116-L192 HydrophobicContact CE2-CB 4.09Å; Y116-L192 HydrophobicContact CE2-CD1 3.33Å; Y116-L192 HydrophobicContact CE2-CG 4.27Å; Y116-L192 PolarHBondContact OH-N 2.8Å
117	L	64.1	Low	63.3	Low	0 Å²	0	75 Å²	75	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64.6	-40.5	179.3	-84.5	76.8	0	0	0	110.9	Y87 P90 T91 Y105 Y114 L119 H120 A121	Y87-L117 HydrophobicContact CD1-CD1 4.29Å; P90-L117 HydrophobicContact CB-CD2 3.61Å; P90-L117 HydrophobicContact CG-CD2 4.36Å; T91-L117 WeakPolarHBondContact OG1-CD2 3.3Å; T91-L117 WeakPolarHBondContact OG1-CG 3.41Å; Y105-L117 HydrophobicContact CE1-CD1 3.57Å; Y105-L117 HydrophobicContact CE1-CD2 4.39Å; Y105-L117 VanDerWaalsContact OH-CD1 3.26Å; Y105-L117 WeakPolarHBondContact OH-CD1 3.24Å; Y114-L117 PolarHBondContact O-N 3.34Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.16Å; L117-H120 CarbonylContact O-C 3.54Å; L117-H120 PolarHBondContact O-N 3.4Å; L117-A121 WeakPolarHBondContact O-CA 3.04Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 3.41Å
118	L	63.1	Low	63.2	Low	99 Å²	99	70.7 Å²	70.7	52%	0.518	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.6	-79.7	165.1	0	0	0	112.5	L94 Y114 Y116 H120 A121 W122	L94-L118 HydrophobicContact CD2-CD2 3.47Å; L94-L118 VanDerWaalsContact CD2-CD2 3.47Å; L94-L118 HydrophobicContact CD2-CG 3.97Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; Y114-L118 PolarHBondContact O-N 2.82Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 3.14Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.24Å; L118-A121 PolarHBondContact O-N 3.28Å; L118-W122 PolarHBondContact O-N 3.37Å; L118-W122 VanDerWaalsContact O-N 3.16Å
119	L	65.9	Low	63	Low	117 Å²	117	77.8 Å²	77.8	61%	0.613	39%	0.387	S	S	*	.	H	α-helix	trans	-64.6	-36.2	178	-168.6	144.1	0	0	0	111.7	A115 Y116 L117 P123	A115-L119 PolarHBondContact O-N 3.39Å; A115-L119 VanDerWaalsContact O-N 3.14Å; Y116-L119 PolarHBondContact O-N 3.49Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.16Å; L119-P123 WeakPolarHBondContact O-CD 3.07Å
120	H	65.1	Low	63.2	Low	18 Å²	18	75.2 Å²	75.2	8%	0.083	38%	0.383	C	S	.	.	H	α-helix	trans	-87.2	-21.4	174.6	-68.3	44.2	0	0	0	113	Y116 L117 L118 W122 P123 A124 Y190	Y116-H120 AromaticContact CE1-CE1 3.89Å; Y116-H120 AromaticContact CZ-CE1 3.62Å; Y116-H120 AromaticContact CZ-NE2 3.92Å; Y116-H120 PolarHBondContact O-N 3.36Å; Y116-H120 PolarHBondContact OH-CE1 3.43Å; Y116-H120 VanDerWaalsContact OH-CE1 3.3Å; Y116-H120 PolarHBondContact OH-NE2 3.23Å; L117-H120 CarbonylContact O-C 3.54Å; L117-H120 PolarHBondContact O-N 3.4Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.24Å; H120-W122 PolarHBondContact O-N 2.54Å; H120-P123 VanDerWaalsContact O-CD 3.24Å; H120-P123 WeakPolarHBondContact O-CD 3.47Å; H120-P123 VanDerWaalsContact O-CG 3.3Å; H120-P123 WeakPolarHBondContact O-CG 3.4Å; H120-A124 WeakPolarHBondContact O-CB 3.46Å; H120-A124 PolarHBondContact O-N 2.91Å; H120-A124 VanDerWaalsContact O-N 3.14Å; H120-Y190 HydrophobicContact CB-CE1 3.97Å; H120-Y190 WeakPolarHBondContact CB-OH 3.23Å; H120-Y190 AromaticContact CD2-CE1 3.41Å; H120-Y190 VanDerWaalsContact CD2-CE1 3.41Å; H120-Y190 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y190 AromaticContact CD2-CE2 3.79Å; H120-Y190 AromaticContact CD2-CZ 3.23Å; H120-Y190 PolarHBondContact CD2-OH 2.69Å; H120-Y190 AromaticContact CG-CE1 3.76Å; H120-Y190 AromaticContact CG-CZ 3.77Å
121	A	61.9	Low	63.2	Low	9 Å²	9	75.6 Å²	75.6	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-26.1	174.3	0	0	0	0	0	111.3	T91 I95 L117 L118 A124 A125	T91-A121 HydrophobicContact CG2-CB 4.23Å; I95-A121 HydrophobicContact CD1-CB 4.31Å; I95-A121 HydrophobicContact CG1-CB 4.41Å; L117-A121 WeakPolarHBondContact O-CA 3.04Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 3.41Å; L118-A121 PolarHBondContact O-N 3.28Å; A121-A124 PolarHBondContact O-N 3.3Å; A121-A125 WeakPolarHBondContact O-CA 3.47Å; A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.32Å
122	W	63.2	Low	63	Low	207 Å²	207	77.3 Å²	77.3	78%	0.784	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-55.4	175	-171.8	-83.8	0	0	0	113.3	L118 H120 A124 A125 F126	L118-W122 PolarHBondContact O-N 3.37Å; L118-W122 VanDerWaalsContact O-N 3.16Å; H120-W122 PolarHBondContact O-N 2.54Å; W122-A124 VanDerWaalsContact C-N 3.29Å; W122-A124 PolarHBondContact O-N 3.3Å; W122-A125 PolarHBondContact O-N 2.72Å; W122-F126 WeakPolarHBondContact O-CB 3.15Å; W122-F126 PolarHBondContact O-N 3.42Å
123	P	63.9	Low	62.4	Low	32 Å²	32	79.1 Å²	79.1	21%	0.208	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-33.2	173.5	19.9	-27.8	0	0	0	112.3	L119 H120 H127 F141 L142 L145	L119-P123 WeakPolarHBondContact O-CD 3.07Å; H120-P123 VanDerWaalsContact O-CD 3.24Å; H120-P123 WeakPolarHBondContact O-CD 3.47Å; H120-P123 VanDerWaalsContact O-CG 3.3Å; H120-P123 WeakPolarHBondContact O-CG 3.4Å; P123-H127 WeakPolarHBondContact O-CB 3.5Å; P123-H127 PolarHBondContact O-N 3.14Å; P123-F141 HydrophobicContact CB-CE1 4.47Å; P123-L142 HydrophobicContact CG-CD2 4.48Å; P123-L145 HydrophobicContact CB-CD1 4.27Å
124	A	62.8	Low	62.3	Low	0 Å²	0	80 Å²	80	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-68.6	-37.4	175.3	0	0	0	0	0	113	I95 H120 A121 W122 H127 A128 V138 L142	I95-A124 HydrophobicContact CD1-CB 3.59Å; H120-A124 WeakPolarHBondContact O-CB 3.46Å; H120-A124 PolarHBondContact O-N 2.91Å; H120-A124 VanDerWaalsContact O-N 3.14Å; A121-A124 PolarHBondContact O-N 3.3Å; W122-A124 VanDerWaalsContact C-N 3.29Å; W122-A124 PolarHBondContact O-N 3.3Å; A124-H127 PolarHBondContact O-N 3Å; A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.13Å; A124-V138 HydrophobicContact CB-CG1 4.1Å; A124-L142 HydrophobicContact CB-CD1 4.48Å
125	A	62.2	Low	62.4	Low	40 Å²	40	83.2 Å²	83.2	33%	0.331	41%	0.414	S	S	.	.	H	α-helix	trans	-73	-39.2	176	0	0	0	0	0	111.4	A121 W122 H127 A128 R129	A121-A125 WeakPolarHBondContact O-CA 3.47Å; A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.32Å; W122-A125 PolarHBondContact O-N 2.72Å; A125-H127 VanDerWaalsContact C-N 3.32Å; A125-A128 PolarHBondContact O-N 3.39Å; A125-R129 WeakPolarHBondContact O-CB 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.45Å
126	F	66.4	Low	62.9	Low	134 Å²	134	85.7 Å²	85.7	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-59.6	-45.5	170.6	-177.2	-100.6	0	0	0	110.7	W122 R129 I130	W122-F126 WeakPolarHBondContact O-CB 3.15Å; W122-F126 PolarHBondContact O-N 3.42Å; F126-R129 PolarHBondContact O-N 3.01Å; F126-I130 WeakPolarHBondContact O-CB 3.18Å; F126-I130 PolarHBondContact O-N 3.49Å; F126-I130 VanDerWaalsContact O-N 3.08Å
127	H	63.7	Low	63.1	Low	6 Å²	6	86.9 Å²	86.9	3%	0.028	43%	0.426	C	S	.	.	H	α-helix	trans	-67.5	-38.7	176.6	-169.2	-72.9	0	0	0	112.5	P123 A124 A125 R129 I130 L131 L137 V138 F141	P123-H127 WeakPolarHBondContact O-CB 3.5Å; P123-H127 PolarHBondContact O-N 3.14Å; A124-H127 PolarHBondContact O-N 3Å; A125-H127 VanDerWaalsContact C-N 3.32Å; H127-R129 VanDerWaalsContact C-N 3.3Å; H127-R129 PolarHBondContact O-N 3.38Å; H127-I130 PolarHBondContact O-N 2.76Å; H127-L131 VanDerWaalsContact CE1-CD1 3.44Å; H127-L131 WeakPolarHBondContact CE1-CD1 3.4Å; H127-L131 WeakPolarHBondContact NE2-CD1 3.23Å; H127-L131 WeakPolarHBondContact O-CA 3.49Å; H127-L131 WeakPolarHBondContact O-CB 3.32Å; H127-L131 PolarHBondContact O-N 2.61Å; H127-L137 VanDerWaalsContact CE1-CD2 3.44Å; H127-L137 WeakPolarHBondContact CE1-CD2 3.41Å; H127-L137 WeakPolarHBondContact NE2-CD2 3.11Å; H127-V138 WeakPolarHBondContact ND1-CG2 3.39Å; H127-F141 HydrophobicContact CB-CD1 4.29Å; H127-F141 HydrophobicContact CB-CE1 4.37Å; H127-F141 AromaticContact CD2-CD1 3.47Å; H127-F141 VanDerWaalsContact CD2-CD1 3.47Å; H127-F141 WeakPolarHBondContact CD2-CD1 3.46Å; H127-F141 AromaticContact CD2-CD2 3.59Å; H127-F141 AromaticContact CD2-CE1 3.87Å; H127-F141 AromaticContact CD2-CE2 3.99Å; H127-F141 AromaticContact CD2-CG 3.31Å; H127-F141 WeakPolarHBondContact CD2-CG 3.36Å; H127-F141 AromaticContact NE2-CD2 3.84Å; H127-F141 AromaticContact NE2-CG 3.6Å
128	A	61.7	Low	63.4	Low	26 Å²	26	87.1 Å²	87.1	22%	0.215	43%	0.428	C	S	.	.	H	α-helix	trans	-66.8	-30.9	176.4	0	0	0	0	0	112.6	I95 A124 A125	I95-A128 HydrophobicContact CG2-CB 4.44Å; A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.13Å; A125-A128 PolarHBondContact O-N 3.39Å
129	R	62.2	Low	63.8	Low	226 Å²	226	83.6 Å²	83.6	85%	0.853	41%	0.408	S	S	*	.	H	α-helix	trans	-75.3	-31.1	174.2	-70	-79.5	-172.7	132.2	1.4	112.6	A125 F126 H127	A125-R129 WeakPolarHBondContact O-CB 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.45Å; F126-R129 PolarHBondContact O-N 3.01Å; H127-R129 VanDerWaalsContact C-N 3.3Å; H127-R129 PolarHBondContact O-N 3.38Å
130	I	63.3	Low	64.2	Low	113 Å²	113	82.4 Å²	82.4	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-93.1	-34.4	-176	-141.7	81.2	0	0	0	113.2	F126 H127	F126-I130 WeakPolarHBondContact O-CB 3.18Å; F126-I130 PolarHBondContact O-N 3.49Å; F126-I130 VanDerWaalsContact O-N 3.08Å; H127-I130 PolarHBondContact O-N 2.76Å
131	L	57.9	Low	64.6	Low	77 Å²	77	85.1 Å²	85.1	40%	0.403	41%	0.408	S	S	.	.	S	Bend	trans	-118.9	88.5	-175	-83.9	134.1	0	0	0	108.9	H127 T133 L137	H127-L131 VanDerWaalsContact CE1-CD1 3.44Å; H127-L131 WeakPolarHBondContact CE1-CD1 3.4Å; H127-L131 WeakPolarHBondContact NE2-CD1 3.23Å; H127-L131 WeakPolarHBondContact O-CA 3.49Å; H127-L131 WeakPolarHBondContact O-CB 3.32Å; H127-L131 PolarHBondContact O-N 2.61Å; L131-T133 PolarHBondContact O-N 2.83Å; L131-L137 HydrophobicContact CD2-CD2 4.41Å
132	Q	56	Low	65	Low	167 Å²	167	84.8 Å²	84.8	78%	0.78	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126.9	176.4	-72.2	-137	-53.9	0	0	112.3	N134	Q132-N134 PolarHBondContact O-N 3.34Å
133	T	54.3	Low	65.5	Low	120 Å²	120	75.7 Å²	75.7	74%	0.736	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	17.1	148	-39.1	0	0	0	0	119.2	L131	L131-T133 PolarHBondContact O-N 2.83Å
134	N	61	Low	65.9	Low	105 Å²	105	76 Å²	76	56%	0.561	37%	0.372	S	S	*	.			trans	-120.1	94.2	170.2	-74.2	-69.9	0	0	0	112.9	Q132 I136 L137 V138	Q132-N134 PolarHBondContact O-N 3.34Å; N134-I136 PolarHBondContact O-N 3.37Å; N134-L137 HydrophobicContact CB-CB 3.9Å; N134-L137 WeakPolarHBondContact O-CB 3.31Å; N134-L137 PolarHBondContact O-N 3.04Å; N134-V138 PolarHBondContact O-N 2.94Å
135	K	67.3	Low	66.5	Low	132 Å²	132	79 Å²	79	57%	0.574	39%	0.388	S	S	*	.	H	α-helix	trans	-54.8	-37.9	179	-59.1	171.4	-176.7	171.3	0	112.6	W88 L137 F139	W88-K135 WeakPolarHBondContact CZ2-O 3.44Å; K135-L137 VanDerWaalsContact C-N 3.33Å; K135-L137 PolarHBondContact O-N 2.8Å; K135-F139 PolarHBondContact O-N 3.43Å
136	I	70.9	Confident	66.9	Low	120 Å²	120	78.1 Å²	78.1	62%	0.615	38%	0.378	S	S	*	.	H	α-helix	trans	-65.3	-38	178.4	-62.7	169.4	0	0	0	110.9	N134 F139 Y140	N134-I136 PolarHBondContact O-N 3.37Å; I136-F139 WeakPolarHBondContact O-CB 3.43Å; I136-F139 PolarHBondContact O-N 3.35Å; I136-Y140 HydrophobicContact CG2-CD2 3.67Å; I136-Y140 HydrophobicContact CG2-CE2 3.46Å; I136-Y140 VanDerWaalsContact CG2-CE2 3.46Å; I136-Y140 WeakPolarHBondContact O-CD2 3.44Å; I136-Y140 PolarHBondContact O-N 2.89Å; I136-Y140 VanDerWaalsContact O-N 3.11Å
137	L	69.1	Low	67.2	Low	77 Å²	77	71.9 Å²	71.9	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-70.6	-39	-176.3	-152.9	154.4	0	0	0	111.3	H127 L131 N134 K135 F139 Y140 F141	H127-L137 VanDerWaalsContact CE1-CD2 3.44Å; H127-L137 WeakPolarHBondContact CE1-CD2 3.41Å; H127-L137 WeakPolarHBondContact NE2-CD2 3.11Å; L131-L137 HydrophobicContact CD2-CD2 4.41Å; N134-L137 HydrophobicContact CB-CB 3.9Å; N134-L137 WeakPolarHBondContact O-CB 3.31Å; N134-L137 PolarHBondContact O-N 3.04Å; K135-L137 VanDerWaalsContact C-N 3.33Å; K135-L137 PolarHBondContact O-N 2.8Å; L137-F139 VanDerWaalsContact C-N 3.28Å; L137-F139 PolarHBondContact O-N 2.76Å; L137-Y140 PolarHBondContact O-N 3.08Å; L137-F141 VanDerWaalsContact O-CB 3.32Å; L137-F141 WeakPolarHBondContact O-CB 3.33Å; L137-F141 PolarHBondContact O-N 3.27Å
138	V	70.3	Confident	67.8	Low	5 Å²	5	76.3 Å²	76.3	3%	0.03	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-40.1	174.6	-177.7	0	0	0	0	110.8	W88 A124 H127 N134 F141 L142	W88-V138 HydrophobicContact CH2-CB 3.7Å; W88-V138 HydrophobicContact CH2-CG1 3.55Å; W88-V138 HydrophobicContact CZ3-CB 4.4Å; W88-V138 HydrophobicContact CZ3-CG1 3.84Å; A124-V138 HydrophobicContact CB-CG1 4.1Å; H127-V138 WeakPolarHBondContact ND1-CG2 3.39Å; N134-V138 PolarHBondContact O-N 2.94Å; V138-F141 PolarHBondContact O-N 2.93Å; V138-L142 PolarHBondContact O-N 3.32Å; V138-L142 VanDerWaalsContact O-N 3.12Å
139	F	71.3	Confident	68.5	Low	25 Å²	25	78.5 Å²	78.5	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-49.6	176.1	177.3	-95.8	0	0	0	112	I78 W88 K135 I136 L137 F141 L142 R143	I78-F139 HydrophobicContact CD1-CD1 4.5Å; I78-F139 HydrophobicContact CD1-CE1 3.45Å; I78-F139 VanDerWaalsContact CD1-CE1 3.45Å; I78-F139 HydrophobicContact CD1-CZ 3.59Å; I78-F139 HydrophobicContact CG1-CE1 3.99Å; I78-F139 HydrophobicContact CG1-CZ 3.57Å; W88-F139 HydrophobicContact CD2-CB 4.5Å; W88-F139 AromaticContact CD2-CD2 3.9Å; W88-F139 HydrophobicContact CD2-CD2 3.9Å; W88-F139 HydrophobicContact CE3-CD2 4.12Å; W88-F139 HydrophobicContact CG-CD2 4.1Å; W88-F139 HydrophobicContact CH2-CB 4.17Å; W88-F139 HydrophobicContact CZ2-CB 4.09Å; W88-F139 HydrophobicContact CZ3-CB 4.38Å; K135-F139 PolarHBondContact O-N 3.43Å; I136-F139 WeakPolarHBondContact O-CB 3.43Å; I136-F139 PolarHBondContact O-N 3.35Å; L137-F139 VanDerWaalsContact C-N 3.28Å; L137-F139 PolarHBondContact O-N 2.76Å; F139-F141 VanDerWaalsContact C-N 3.33Å; F139-F141 PolarHBondContact O-N 2.95Å; F139-L142 PolarHBondContact O-N 2.92Å; F139-R143 HydrophobicContact CE1-CG 4.39Å; F139-R143 HydrophobicContact CZ-CG 4.49Å; F139-R143 PolarHBondContact O-N 3.46Å
140	Y	73	Confident	69.1	Low	91 Å²	91	68.4 Å²	68.4	36%	0.357	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-34.4	176.5	-76.8	-71.2	0	0	0	112.9	L74 I136 L137 R143 C144	L74-Y140 HydrophobicContact CD2-CD1 4.2Å; I136-Y140 HydrophobicContact CG2-CD2 3.67Å; I136-Y140 HydrophobicContact CG2-CE2 3.46Å; I136-Y140 VanDerWaalsContact CG2-CE2 3.46Å; I136-Y140 WeakPolarHBondContact O-CD2 3.44Å; I136-Y140 PolarHBondContact O-N 2.89Å; I136-Y140 VanDerWaalsContact O-N 3.11Å; L137-Y140 PolarHBondContact O-N 3.08Å; Y140-R143 PolarHBondContact O-N 3.45Å; Y140-C144 PolarHBondContact O-N 3.23Å; Y140-C144 PolarHBondContact O-SG 2.92Å; Y140-C144 VanDerWaalsContact O-SG 3.34Å
141	F	73.6	Confident	69.7	Low	75 Å²	75	63 Å²	63	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.4	176.2	-101	0	0	0	112	P123 H127 L137 V138 F139 C144 L145	P123-F141 HydrophobicContact CB-CE1 4.47Å; H127-F141 HydrophobicContact CB-CD1 4.29Å; H127-F141 HydrophobicContact CB-CE1 4.37Å; H127-F141 AromaticContact CD2-CD1 3.47Å; H127-F141 VanDerWaalsContact CD2-CD1 3.47Å; H127-F141 WeakPolarHBondContact CD2-CD1 3.46Å; H127-F141 AromaticContact CD2-CD2 3.59Å; H127-F141 AromaticContact CD2-CE1 3.87Å; H127-F141 AromaticContact CD2-CE2 3.99Å; H127-F141 AromaticContact CD2-CG 3.31Å; H127-F141 WeakPolarHBondContact CD2-CG 3.36Å; H127-F141 AromaticContact NE2-CD2 3.84Å; H127-F141 AromaticContact NE2-CG 3.6Å; L137-F141 VanDerWaalsContact O-CB 3.32Å; L137-F141 WeakPolarHBondContact O-CB 3.33Å; L137-F141 PolarHBondContact O-N 3.27Å; V138-F141 PolarHBondContact O-N 2.93Å; F139-F141 VanDerWaalsContact C-N 3.33Å; F139-F141 PolarHBondContact O-N 2.95Å; F141-C144 WeakPolarHBondContact O-CB 3.47Å; F141-C144 PolarHBondContact O-N 3.43Å; F141-L145 HydrophobicContact CE1-CD1 4.24Å; F141-L145 HydrophobicContact CZ-CD1 4.41Å; F141-L145 PolarHBondContact O-N 3.43Å
142	L	71	Confident	70.8	Confident	3 Å²	3	62 Å²	62	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-44.9	175.7	-73.2	164.2	0	0	0	111.4	W88 P123 A124 V138 F139 C144 L145 L146 Y190	W88-L142 HydrophobicContact CE3-CD1 4.01Å; W88-L142 HydrophobicContact CZ3-CD1 3.6Å; P123-L142 HydrophobicContact CG-CD2 4.48Å; A124-L142 HydrophobicContact CB-CD1 4.48Å; V138-L142 PolarHBondContact O-N 3.32Å; V138-L142 VanDerWaalsContact O-N 3.12Å; F139-L142 PolarHBondContact O-N 2.92Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 2.8Å; L142-L145 PolarHBondContact O-N 3.27Å; L142-L145 VanDerWaalsContact O-N 3.13Å; L142-L146 WeakPolarHBondContact O-CD1 3.27Å; L142-L146 PolarHBondContact O-N 3.12Å; L142-Y190 HydrophobicContact CB-CE2 4.41Å; L142-Y190 HydrophobicContact CD1-CE2 4.32Å
143	R	74.6	Confident	72	Confident	16 Å²	16	57.7 Å²	57.7	6%	0.06	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-40.2	176	-65	-170.7	90.7	85.8	0.1	112	A73 E83 F139 Y140 A147 S188	A73-R143 HydrophobicContact CB-CB 4.49Å; E83-R143 IonicContact OE2-CZ 3.61Å; E83-R143 IonicContact OE2-NH1 3.53Å; E83-R143 PolarHBondContact OE2-NH1 2.86Å; E83-R143 IonicContact OE2-NH2 3.43Å; E83-R143 PolarHBondContact OE2-NH2 2.92Å; F139-R143 HydrophobicContact CE1-CG 4.39Å; F139-R143 HydrophobicContact CZ-CG 4.49Å; F139-R143 PolarHBondContact O-N 3.46Å; Y140-R143 PolarHBondContact O-N 3.45Å; R143-A147 WeakPolarHBondContact O-CB 3.26Å; R143-A147 PolarHBondContact O-N 3.07Å; R143-S188 PolarHBondContact NH2-OG 3.41Å
144	C	72	Confident	73.2	Confident	37 Å²	37	52.4 Å²	52.4	25%	0.25	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-38.7	174.6	-73.6	0	0	0	0	112.7	L70 Y140 F141 L142 A147 F148	L70-C144 HydrophobicContact CD2-CB 4.47Å; Y140-C144 PolarHBondContact O-N 3.23Å; Y140-C144 PolarHBondContact O-SG 2.92Å; Y140-C144 VanDerWaalsContact O-SG 3.34Å; F141-C144 WeakPolarHBondContact O-CB 3.47Å; F141-C144 PolarHBondContact O-N 3.43Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 2.8Å; C144-A147 PolarHBondContact O-N 2.67Å; C144-F148 WeakPolarHBondContact O-CB 3.26Å; C144-F148 PolarHBondContact O-N 3.19Å
145	L	74.9	Confident	74.1	Confident	64 Å²	64	49.2 Å²	49.2	34%	0.335	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-46.7	177.8	-170.4	153.2	0	0	0	111.1	P123 F141 L142 A147 F148 V149	P123-L145 HydrophobicContact CB-CD1 4.27Å; F141-L145 HydrophobicContact CE1-CD1 4.24Å; F141-L145 HydrophobicContact CZ-CD1 4.41Å; F141-L145 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 3.27Å; L142-L145 VanDerWaalsContact O-N 3.13Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 2.9Å; L145-F148 WeakPolarHBondContact O-CB 3.04Å; L145-F148 PolarHBondContact O-N 2.99Å; L145-V149 HydrophobicContact CD2-CG2 4.14Å; L145-V149 WeakPolarHBondContact O-CG2 3.21Å; L145-V149 PolarHBondContact O-N 3.24Å
146	L	71.1	Confident	74.8	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176.6	-83.1	76.3	0	0	0	111.4	L142 F148 V149 S150 S187	L142-L146 WeakPolarHBondContact O-CD1 3.27Å; L142-L146 PolarHBondContact O-N 3.12Å; L146-F148 VanDerWaalsContact C-N 3.3Å; L146-F148 PolarHBondContact O-N 2.87Å; L146-V149 PolarHBondContact O-N 3.2Å; L146-S150 PolarHBondContact O-N 3.16Å; L146-S187 VanDerWaalsContact CB-O 3.23Å; L146-S187 WeakPolarHBondContact CB-O 3.16Å
147	A	72.4	Confident	75.3	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-38.6	175.1	0	0	0	0	0	112.4	R69 A73 R143 C144 L145 C151	R69-A147 HydrophobicContact CB-CB 4.42Å; A73-A147 HydrophobicContact CB-CB 4.12Å; R143-A147 WeakPolarHBondContact O-CB 3.26Å; R143-A147 PolarHBondContact O-N 3.07Å; C144-A147 PolarHBondContact O-N 2.67Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 2.9Å; A147-C151 WeakPolarHBondContact O-CB 3.39Å; A147-C151 PolarHBondContact O-N 2.87Å
148	F	76.4	Confident	75.9	Confident	99 Å²	99	47 Å²	47	43%	0.434	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-45.3	176.8	-176.9	-105.8	0	0	0	112.2	L66 C144 L145 L146 S150 C151 I152	L66-F148 HydrophobicContact CD1-CD2 4.05Å; C144-F148 WeakPolarHBondContact O-CB 3.26Å; C144-F148 PolarHBondContact O-N 3.19Å; L145-F148 WeakPolarHBondContact O-CB 3.04Å; L145-F148 PolarHBondContact O-N 2.99Å; L146-F148 VanDerWaalsContact C-N 3.3Å; L146-F148 PolarHBondContact O-N 2.87Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 3.38Å; F148-C151 WeakPolarHBondContact O-CB 3.13Å; F148-C151 PolarHBondContact O-N 3.47Å; F148-I152 HydrophobicContact CD1-CD1 3.72Å; F148-I152 HydrophobicContact CE1-CD1 3.31Å; F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.77Å; F148-I152 HydrophobicContact CZ-CG1 4.4Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 2.91Å
149	V	77.1	Confident	76.4	Confident	71 Å²	71	53.1 Å²	53.1	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-43.5	176.5	173.8	0	0	0	0	110.7	L145 L146 C151 I152 C153	L145-V149 HydrophobicContact CD2-CG2 4.14Å; L145-V149 WeakPolarHBondContact O-CG2 3.21Å; L145-V149 PolarHBondContact O-N 3.24Å; L146-V149 PolarHBondContact O-N 3.2Å; V149-C151 VanDerWaalsContact C-N 3.34Å; V149-C151 PolarHBondContact O-N 3.46Å; V149-I152 WeakPolarHBondContact O-CB 2.9Å; V149-I152 PolarHBondContact O-N 3.31Å; V149-C153 PolarHBondContact O-N 3.31Å; V149-C153 PolarHBondContact O-SG 3.37Å; V149-C153 VanDerWaalsContact O-SG 3.39Å
150	S	74.1	Confident	77	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-44.4	174.2	-171.2	0	0	0	0	112.5	L146 F148 I152 C153 E154 S187	L146-S150 PolarHBondContact O-N 3.16Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 3.38Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-C153 PolarHBondContact O-N 3.33Å; S150-E154 WeakPolarHBondContact O-CB 3.33Å; S150-E154 WeakPolarHBondContact O-CG 3.22Å; S150-E154 PolarHBondContact O-N 3.39Å; S150-E154 PolarHBondContact OG-OE1 3.11Å; S150-S187 VanDerWaalsContact CB-CB 3.5Å; S150-S187 VanDerWaalsContact CB-OG 3.24Å; S150-S187 WeakPolarHBondContact CB-OG 3.48Å; S150-S187 WeakPolarHBondContact OG-CB 3.45Å; S150-S187 PolarHBondContact OG-OG 3.41Å
151	C	75.9	Confident	77.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-39.5	178.2	-175.3	0	0	0	0	111.6	L66 A147 F148 V149 L155	L66-C151 HydrophobicContact CD1-CB 4.34Å; A147-C151 WeakPolarHBondContact O-CB 3.39Å; A147-C151 PolarHBondContact O-N 2.87Å; F148-C151 WeakPolarHBondContact O-CB 3.13Å; F148-C151 PolarHBondContact O-N 3.47Å; V149-C151 VanDerWaalsContact C-N 3.34Å; V149-C151 PolarHBondContact O-N 3.46Å; C151-L155 WeakPolarHBondContact O-CB 3.17Å; C151-L155 PolarHBondContact O-N 3.25Å
152	I	79.9	Confident	77.9	Confident	56 Å²	56	48.7 Å²	48.7	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-49.1	175.2	-70.3	169.9	0	0	0	110.8	F148 V149 S150 E154 L155 Y156	F148-I152 HydrophobicContact CD1-CD1 3.72Å; F148-I152 HydrophobicContact CE1-CD1 3.31Å; F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.77Å; F148-I152 HydrophobicContact CZ-CG1 4.4Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 2.91Å; V149-I152 WeakPolarHBondContact O-CB 2.9Å; V149-I152 PolarHBondContact O-N 3.31Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 2.98Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.12Å; I152-L155 PolarHBondContact O-N 3.3Å; I152-Y156 HydrophobicContact CG2-CD2 3.57Å; I152-Y156 HydrophobicContact CG2-CE2 3.39Å; I152-Y156 WeakPolarHBondContact O-CD2 3.11Å; I152-Y156 PolarHBondContact O-N 3.3Å
153	C	81.3	Confident	78.4	Confident	77 Å²	77	57.6 Å²	57.6	52%	0.52	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-45.3	178.6	-68.2	0	0	0	0	111.8	V149 S150 L155 Y156 F157	V149-C153 PolarHBondContact O-N 3.31Å; V149-C153 PolarHBondContact O-SG 3.37Å; V149-C153 VanDerWaalsContact O-SG 3.39Å; S150-C153 PolarHBondContact O-N 3.33Å; C153-L155 PolarHBondContact O-N 3.46Å; C153-Y156 PolarHBondContact O-N 2.93Å; C153-F157 WeakPolarHBondContact O-CB 3.44Å; C153-F157 PolarHBondContact O-N 2.79Å
154	E	79.1	Confident	78.9	Confident	9 Å²	9	64.9 Å²	64.9	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-39.4	176.6	-77.2	172.6	-124.3	0	0	112.5	L65 R69 S150 I152 F157 Y158 L177 M183	L65-E154 HydrophobicContact CD1-CB 4.5Å; R69-E154 IonicContact CZ-OE1 2.89Å; R69-E154 IonicContact CZ-OE2 2.89Å; R69-E154 IonicContact NE-OE1 3.88Å; R69-E154 PolarHBondContact NE-OE1 3.44Å; R69-E154 IonicContact NE-OE2 3.19Å; R69-E154 IonicContact NH1-OE1 3.56Å; R69-E154 PolarHBondContact NH1-OE1 3.4Å; R69-E154 IonicContact NH2-OE1 2.8Å; R69-E154 PolarHBondContact NH2-OE1 2.83Å; R69-E154 IonicContact NH2-OE2 3.38Å; R69-E154 PolarHBondContact NH2-OE2 3.33Å; S150-E154 WeakPolarHBondContact O-CB 3.33Å; S150-E154 WeakPolarHBondContact O-CG 3.22Å; S150-E154 PolarHBondContact O-N 3.39Å; S150-E154 PolarHBondContact OG-OE1 3.11Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.12Å; E154-F157 PolarHBondContact O-N 3.47Å; E154-Y158 WeakPolarHBondContact O-CB 3.27Å; E154-Y158 PolarHBondContact O-N 3.47Å; E154-L177 HydrophobicContact CB-CD2 3.66Å; E154-L177 HydrophobicContact CG-CD2 3.69Å; E154-M183 HydrophobicContact CG-CE 3.92Å
155	L	80.1	Confident	79.3	Confident	37 Å²	37	70 Å²	70	19%	0.194	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-43.3	175.4	-176.1	68.1	0	0	0	111.4	F62 C151 I152 C153 F157 Y158 K159	F62-L155 HydrophobicContact CB-CD1 4.04Å; F62-L155 HydrophobicContact CB-CD2 4.37Å; F62-L155 HydrophobicContact CD2-CD1 4.48Å; F62-L155 HydrophobicContact CD2-CD2 3.72Å; F62-L155 HydrophobicContact CD2-CG 4.47Å; F62-L155 HydrophobicContact CE2-CD2 4.37Å; F62-L155 HydrophobicContact CG-CD2 4.28Å; C151-L155 WeakPolarHBondContact O-CB 3.17Å; C151-L155 PolarHBondContact O-N 3.25Å; I152-L155 PolarHBondContact O-N 3.3Å; C153-L155 PolarHBondContact O-N 3.46Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.24Å; L155-Y158 PolarHBondContact O-N 3.42Å; L155-K159 HydrophobicContact CG-CD 4.39Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.37Å
156	Y	82.7	Confident	79.6	Confident	165 Å²	165	68.4 Å²	68.4	65%	0.647	34%	0.34	S	S	*	.	H	α-helix	trans	-61.8	-42.6	175.1	-83.7	-67.8	0	0	0	111.5	I152 C153 K159 A160	I152-Y156 HydrophobicContact CG2-CD2 3.57Å; I152-Y156 HydrophobicContact CG2-CE2 3.39Å; I152-Y156 WeakPolarHBondContact O-CD2 3.11Å; I152-Y156 PolarHBondContact O-N 3.3Å; C153-Y156 PolarHBondContact O-N 2.93Å; Y156-K159 PolarHBondContact O-N 3.34Å; Y156-A160 WeakPolarHBondContact O-CB 3.34Å; Y156-A160 PolarHBondContact O-N 3.25Å
157	F	82.2	Confident	79.8	Confident	107 Å²	107	72.3 Å²	72.3	47%	0.469	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-48.4	176	-165.1	-85.4	0	0	0	111.5	C153 E154 L155 K159 A160 V161 M173	C153-F157 WeakPolarHBondContact O-CB 3.44Å; C153-F157 PolarHBondContact O-N 2.79Å; E154-F157 PolarHBondContact O-N 3.47Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.24Å; F157-K159 VanDerWaalsContact C-N 3.33Å; F157-K159 PolarHBondContact O-N 3.31Å; F157-A160 WeakPolarHBondContact O-CB 3.17Å; F157-A160 PolarHBondContact O-N 2.83Å; F157-A160 VanDerWaalsContact O-N 3.13Å; F157-V161 HydrophobicContact CD1-CG2 3.83Å; F157-V161 HydrophobicContact CE1-CG2 3.4Å; F157-V161 VanDerWaalsContact CE1-CG2 3.4Å; F157-V161 HydrophobicContact CZ-CG2 4.1Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 2.92Å; F157-M173 HydrophobicContact CD1-CE 3.44Å; F157-M173 VanDerWaalsContact CD1-CE 3.44Å; F157-M173 HydrophobicContact CD1-SD 3.94Å; F157-M173 HydrophobicContact CE1-CE 3Å; F157-M173 HydrophobicContact CE1-SD 3.47Å; F157-M173 WeakPolarHBondContact CE1-SD 3.49Å; F157-M173 HydrophobicContact CZ-CE 4Å
158	Y	80.9	Confident	80.1	Confident	11 Å²	11	77.5 Å²	77.5	4%	0.043	38%	0.384	C	S	.	.	H	α-helix	trans	-56.5	-45.9	175.7	174.4	-101.9	0	0	0	111.7	P56 A61 E154 L155 A160 V161 C162 S170 L174	P56-Y158 PolarHBondContact O-OH 3.44Å; A61-Y158 HydrophobicContact CB-CD1 4.48Å; A61-Y158 HydrophobicContact CB-CE1 4.1Å; E154-Y158 WeakPolarHBondContact O-CB 3.27Å; E154-Y158 PolarHBondContact O-N 3.47Å; L155-Y158 PolarHBondContact O-N 3.42Å; Y158-A160 VanDerWaalsContact C-N 3.34Å; Y158-A160 PolarHBondContact O-N 2.97Å; Y158-V161 PolarHBondContact O-N 2.56Å; Y158-C162 WeakPolarHBondContact O-CB 3.14Å; Y158-C162 PolarHBondContact O-N 3.05Å; Y158-C162 PolarHBondContact O-SG 3.39Å; Y158-S170 WeakPolarHBondContact CE2-O 3.11Å; Y158-L174 HydrophobicContact CD2-CB 4.2Å; Y158-L174 HydrophobicContact CD2-CD1 4.28Å; Y158-L174 HydrophobicContact CE2-CB 3.95Å; Y158-L174 HydrophobicContact CE2-CD1 4.42Å; Y158-L174 HydrophobicContact CE2-CD2 4.35Å; Y158-L174 HydrophobicContact CE2-CG 4.48Å
159	K	81.3	Confident	80.4	Confident	134 Å²	134	76.4 Å²	76.4	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-37.7	177.2	-70.7	-179	79.2	163.8	0	112.5	L155 Y156 F157 K163	L155-K159 HydrophobicContact CG-CD 4.39Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.37Å; Y156-K159 PolarHBondContact O-N 3.34Å; F157-K159 VanDerWaalsContact C-N 3.33Å; F157-K159 PolarHBondContact O-N 3.31Å; K159-K163 PolarHBondContact O-N 3.1Å
160	A	84.3	Confident	80.5	Confident	53 Å²	53	73 Å²	73	44%	0.438	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-41.8	176.2	0	0	0	0	0	111.9	Y156 F157 Y158 K163 K164	Y156-A160 WeakPolarHBondContact O-CB 3.34Å; Y156-A160 PolarHBondContact O-N 3.25Å; F157-A160 WeakPolarHBondContact O-CB 3.17Å; F157-A160 PolarHBondContact O-N 2.83Å; F157-A160 VanDerWaalsContact O-N 3.13Å; Y158-A160 VanDerWaalsContact C-N 3.34Å; Y158-A160 PolarHBondContact O-N 2.97Å; A160-K163 PolarHBondContact O-N 3.17Å; A160-K164 WeakPolarHBondContact O-CG 3.33Å; A160-K164 PolarHBondContact O-N 3.23Å; A160-K164 VanDerWaalsContact O-N 3.15Å
161	V	83.6	Confident	80.6	Confident	12 Å²	12	75.2 Å²	75.2	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-69.2	-40.8	178.1	176.3	0	0	0	0	111.6	F157 Y158 K163 K164 F165 V169 M173	F157-V161 HydrophobicContact CD1-CG2 3.83Å; F157-V161 HydrophobicContact CE1-CG2 3.4Å; F157-V161 VanDerWaalsContact CE1-CG2 3.4Å; F157-V161 HydrophobicContact CZ-CG2 4.1Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 2.92Å; Y158-V161 PolarHBondContact O-N 2.56Å; V161-K163 PolarHBondContact O-N 2.8Å; V161-K164 PolarHBondContact O-N 2.86Å; V161-K164 VanDerWaalsContact O-N 3.11Å; V161-F165 HydrophobicContact CG1-CB 4.35Å; V161-F165 HydrophobicContact CG1-CD2 3.95Å; V161-F165 PolarHBondContact O-N 3.47Å; V161-V169 HydrophobicContact CG1-CG1 4.45Å; V161-M173 HydrophobicContact CB-SD 4.35Å; V161-M173 HydrophobicContact CG1-SD 4.08Å; V161-M173 HydrophobicContact CG2-SD 3.82Å
162	C	80.5	Confident	80.7	Confident	33 Å²	33	79.7 Å²	79.7	22%	0.223	39%	0.392	C	S	.	.	H	α-helix	trans	-54.3	-41.3	172.5	-74.9	0	0	0	0	112	Y158 G166 S170	Y158-C162 WeakPolarHBondContact O-CB 3.14Å; Y158-C162 PolarHBondContact O-N 3.05Å; Y158-C162 PolarHBondContact O-SG 3.39Å; C162-G166 PolarHBondContact O-N 3.34Å; C162-S170 WeakPolarHBondContact CA-OG 3.48Å; C162-S170 PolarHBondContact N-OG 3.46Å; C162-S170 VanDerWaalsContact N-OG 3.17Å; C162-S170 WeakPolarHBondContact SG-CB 3.27Å; C162-S170 PolarHBondContact SG-OG 3.46Å; C162-S170 VanDerWaalsContact SG-OG 3.36Å
163	K	82.2	Confident	80.8	Confident	190 Å²	190	79.6 Å²	79.6	83%	0.826	39%	0.391	S	S	*	.	H	α-helix	trans	-73	-30.3	179.7	-170.7	175.6	179.8	178.6	0	113.3	K159 A160 V161	K159-K163 PolarHBondContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 3.17Å; V161-K163 PolarHBondContact O-N 2.8Å
164	K	85.8	Confident	80.5	Confident	169 Å²	169	76.7 Å²	76.7	74%	0.735	37%	0.371	S	S	*	.	H	α-helix	trans	-96.5	-40.4	-173	-72.1	-69.7	-172.2	174.7	0	114.3	A160 V161	A160-K164 WeakPolarHBondContact O-CG 3.33Å; A160-K164 PolarHBondContact O-N 3.23Å; A160-K164 VanDerWaalsContact O-N 3.15Å; V161-K164 PolarHBondContact O-N 2.86Å; V161-K164 VanDerWaalsContact O-N 3.11Å
165	F	80.6	Confident	80.4	Confident	144 Å²	144	78.4 Å²	78.4	63%	0.632	39%	0.386	S	S	*	.	H	α-helix	trans	-115.7	-4.2	-170.7	-61.2	-81.4	0	0	0	113.5	V161 V169	V161-F165 HydrophobicContact CG1-CB 4.35Å; V161-F165 HydrophobicContact CG1-CD2 3.95Å; V161-F165 PolarHBondContact O-N 3.47Å; F165-V169 HydrophobicContact CB-CB 3.92Å; F165-V169 HydrophobicContact CB-CG1 3.98Å; F165-V169 HydrophobicContact CB-CG2 4.17Å
166	G	79.6	Confident	80.3	Confident	31 Å²	31	84 Å²	84	32%	0.32	41%	0.409	S	S	.	.	H	α-helix	trans	80.7	179.3	179.5	0	0	0	0	0	114.2	C162 H168 S170	C162-G166 PolarHBondContact O-N 3.34Å; G166-H168 PolarHBondContact O-N 3.24Å; G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.88Å; G166-S170 PolarHBondContact O-OG 3.26Å
167	L	76.8	Confident	79.8	Confident	102 Å²	102	76.9 Å²	76.9	53%	0.534	38%	0.382	S	S	.	.	H	α-helix	trans	-70.2	-31.6	-167.2	-67.3	167.9	0	0	0	114	A55 R171	A55-L167 HydrophobicContact CB-CD1 4.04Å; A55-L167 HydrophobicContact CB-CD2 4.08Å; L167-R171 PolarHBondContact O-N 3.1Å; L167-R171 VanDerWaalsContact O-N 3.08Å
168	H	78.1	Confident	79.3	Confident	114 Å²	114	73.9 Å²	73.9	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-47.8	-174	-137	91.2	0	0	0	112.3	G166 S170 R171 M172	G166-H168 PolarHBondContact O-N 3.24Å; H168-S170 VanDerWaalsContact C-N 3.32Å; H168-R171 PolarHBondContact CE1-NH2 3.39Å; H168-R171 PolarHBondContact NE2-NH2 2.91Å; H168-R171 PolarHBondContact O-N 3.3Å; H168-M172 PolarHBondContact O-N 3.09Å
169	V	81.9	Confident	78.6	Confident	75 Å²	75	79.6 Å²	79.6	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-41.7	176.4	179.3	0	0	0	0	110.2	V161 F165 R171 M172 M173	V161-V169 HydrophobicContact CG1-CG1 4.45Å; F165-V169 HydrophobicContact CB-CB 3.92Å; F165-V169 HydrophobicContact CB-CG1 3.98Å; F165-V169 HydrophobicContact CB-CG2 4.17Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 2.97Å; V169-M172 PolarHBondContact O-N 3.48Å; V169-M173 WeakPolarHBondContact O-CB 3.46Å; V169-M173 PolarHBondContact O-N 3.34Å
170	S	78.8	Confident	77.8	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.6	-33.7	-178.9	-53.6	0	0	0	0	113.1	Y158 C162 G166 H168 M173 L174	Y158-S170 WeakPolarHBondContact CE2-O 3.11Å; C162-S170 WeakPolarHBondContact CA-OG 3.48Å; C162-S170 PolarHBondContact N-OG 3.46Å; C162-S170 VanDerWaalsContact N-OG 3.17Å; C162-S170 WeakPolarHBondContact SG-CB 3.27Å; C162-S170 PolarHBondContact SG-OG 3.46Å; C162-S170 VanDerWaalsContact SG-OG 3.36Å; G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.88Å; G166-S170 PolarHBondContact O-OG 3.26Å; H168-S170 VanDerWaalsContact C-N 3.32Å; S170-M173 PolarHBondContact O-N 2.86Å; S170-L174 WeakPolarHBondContact O-CB 3.17Å; S170-L174 PolarHBondContact O-N 2.84Å
171	R	76.3	Confident	76.2	Confident	61 Å²	61	77.9 Å²	77.9	23%	0.23	40%	0.4	C	S	.	.	H	α-helix	trans	-68.4	-43.4	175.2	-176.7	177.5	63	-175.6	4.8	112.3	W54 L167 H168 V169 M173 L174 A175	W54-R171 PolarHBondContact O-NH1 3.22Å; L167-R171 PolarHBondContact O-N 3.1Å; L167-R171 VanDerWaalsContact O-N 3.08Å; H168-R171 PolarHBondContact CE1-NH2 3.39Å; H168-R171 PolarHBondContact NE2-NH2 2.91Å; H168-R171 PolarHBondContact O-N 3.3Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 2.97Å; R171-M173 VanDerWaalsContact C-N 3.29Å; R171-L174 PolarHBondContact O-N 2.8Å; R171-A175 PolarHBondContact O-N 3.21Å
172	M	79.2	Confident	74.6	Confident	94 Å²	94	79.5 Å²	79.5	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.6	-62.4	-62.7	96.4	0	0	110.1	H168 V169 A175 F176	H168-M172 PolarHBondContact O-N 3.09Å; V169-M172 PolarHBondContact O-N 3.48Å; M172-A175 WeakPolarHBondContact O-CB 3.44Å; M172-A175 PolarHBondContact O-N 3.42Å; M172-F176 WeakPolarHBondContact O-CD2 3.41Å; M172-F176 PolarHBondContact O-N 3.43Å
173	M	81.3	Confident	73.4	Confident	53 Å²	53	81.3 Å²	81.3	26%	0.261	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-43.4	174.5	177.1	148.1	-149.7	0	0	113.1	F157 V161 V169 S170 R171 A175 F176 L177	F157-M173 HydrophobicContact CD1-CE 3.44Å; F157-M173 VanDerWaalsContact CD1-CE 3.44Å; F157-M173 HydrophobicContact CD1-SD 3.94Å; F157-M173 HydrophobicContact CE1-CE 3Å; F157-M173 HydrophobicContact CE1-SD 3.47Å; F157-M173 WeakPolarHBondContact CE1-SD 3.49Å; F157-M173 HydrophobicContact CZ-CE 4Å; V161-M173 HydrophobicContact CB-SD 4.35Å; V161-M173 HydrophobicContact CG1-SD 4.08Å; V161-M173 HydrophobicContact CG2-SD 3.82Å; V169-M173 WeakPolarHBondContact O-CB 3.46Å; V169-M173 PolarHBondContact O-N 3.34Å; S170-M173 PolarHBondContact O-N 2.86Å; R171-M173 VanDerWaalsContact C-N 3.29Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 2.85Å; M173-F176 CarbonylContact O-C 3.57Å; M173-F176 PolarHBondContact O-N 3.49Å; M173-L177 HydrophobicContact CE-CD1 3.44Å; M173-L177 VanDerWaalsContact CE-CD1 3.44Å; M173-L177 HydrophobicContact CG-CD1 3.82Å; M173-L177 WeakPolarHBondContact O-CB 3.44Å; M173-L177 PolarHBondContact O-N 3.04Å
174	L	76.4	Confident	71.8	Confident	17 Å²	17	73.7 Å²	73.7	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-60.9	-42.1	176.3	-176.8	67.4	0	0	0	111	P56 A61 L65 Y158 S170 R171 L177 V178	P56-L174 HydrophobicContact CB-CD2 4.22Å; P56-L174 HydrophobicContact CG-CD2 3.96Å; A61-L174 HydrophobicContact CB-CD1 3.92Å; A61-L174 HydrophobicContact CB-CD2 3.7Å; A61-L174 HydrophobicContact CB-CG 4.49Å; L65-L174 HydrophobicContact CD1-CD1 3.79Å; L65-L174 HydrophobicContact CD2-CD1 4.16Å; L65-L174 HydrophobicContact CG-CD1 3.97Å; Y158-L174 HydrophobicContact CD2-CB 4.2Å; Y158-L174 HydrophobicContact CD2-CD1 4.28Å; Y158-L174 HydrophobicContact CE2-CB 3.95Å; Y158-L174 HydrophobicContact CE2-CD1 4.42Å; Y158-L174 HydrophobicContact CE2-CD2 4.35Å; Y158-L174 HydrophobicContact CE2-CG 4.48Å; S170-L174 WeakPolarHBondContact O-CB 3.17Å; S170-L174 PolarHBondContact O-N 2.84Å; R171-L174 PolarHBondContact O-N 2.8Å; L174-L177 PolarHBondContact O-N 3.25Å; L174-V178 HydrophobicContact CD1-CG2 4.47Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.19Å; L174-V178 PolarHBondContact O-N 2.99Å
175	A	77.1	Confident	69.9	Low	45 Å²	45	68.8 Å²	68.8	37%	0.372	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-45.1	175.1	0	0	0	0	0	111.4	R171 M172 M173 L177 V178 L179	R171-A175 PolarHBondContact O-N 3.21Å; M172-A175 WeakPolarHBondContact O-CB 3.44Å; M172-A175 PolarHBondContact O-N 3.42Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3Å; A175-V178 PolarHBondContact O-N 3.48Å; A175-L179 VanDerWaalsContact O-CB 3.26Å; A175-L179 WeakPolarHBondContact O-CB 3.44Å; A175-L179 WeakPolarHBondContact O-CD1 3.45Å; A175-L179 WeakPolarHBondContact O-CG 3.47Å; A175-L179 PolarHBondContact O-N 2.99Å
176	F	76.5	Confident	68.2	Low	155 Å²	155	65.1 Å²	65.1	68%	0.68	37%	0.371	S	S	*	.	H	α-helix	trans	-64.1	-35.6	173.9	-78	-64.2	0	0	0	112.9	M172 M173 S180	M172-F176 WeakPolarHBondContact O-CD2 3.41Å; M172-F176 PolarHBondContact O-N 3.43Å; M173-F176 CarbonylContact O-C 3.57Å; M173-F176 PolarHBondContact O-N 3.49Å; F176-S180 WeakPolarHBondContact O-CA 2.97Å; F176-S180 WeakPolarHBondContact O-CB 3.34Å; F176-S180 PolarHBondContact O-N 3.25Å
177	L	73.3	Confident	66.6	Low	14 Å²	14	64.1 Å²	64.1	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177	-114.4	79	0	0	0	111.9	L65 E154 M173 L174 A175 M183	L65-L177 HydrophobicContact CD2-CB 4.26Å; L65-L177 HydrophobicContact CD2-CD2 4.44Å; E154-L177 HydrophobicContact CB-CD2 3.66Å; E154-L177 HydrophobicContact CG-CD2 3.69Å; M173-L177 HydrophobicContact CE-CD1 3.44Å; M173-L177 VanDerWaalsContact CE-CD1 3.44Å; M173-L177 HydrophobicContact CG-CD1 3.82Å; M173-L177 WeakPolarHBondContact O-CB 3.44Å; M173-L177 PolarHBondContact O-N 3.04Å; L174-L177 PolarHBondContact O-N 3.25Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3Å; L177-M183 HydrophobicContact CD1-CE 4.08Å; L177-M183 HydrophobicContact CD2-CE 4.19Å; L177-M183 HydrophobicContact CG-CE 3.6Å
178	V	70.8	Confident	64.9	Low	44 Å²	44	59.7 Å²	59.7	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-70	-38.2	178.1	173.2	0	0	0	0	111	L65 L174 A175	L65-V178 HydrophobicContact CD2-CG2 3.64Å; L65-V178 HydrophobicContact CG-CG2 4.38Å; L174-V178 HydrophobicContact CD1-CG2 4.47Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.19Å; L174-V178 PolarHBondContact O-N 2.99Å; A175-V178 PolarHBondContact O-N 3.48Å
179	L	66.4	Low	63.1	Low	132 Å²	132	56.3 Å²	56.3	69%	0.691	32%	0.324	S	S	*	.	H	α-helix	trans	-86.3	-11.4	-179.8	-75.3	159	0	0	0	113.9	A175 T181	A175-L179 VanDerWaalsContact O-CB 3.26Å; A175-L179 WeakPolarHBondContact O-CB 3.44Å; A175-L179 WeakPolarHBondContact O-CD1 3.45Å; A175-L179 WeakPolarHBondContact O-CG 3.47Å; A175-L179 PolarHBondContact O-N 2.99Å; L179-T181 VanDerWaalsContact C-N 3.31Å; L179-T181 PolarHBondContact O-N 3.34Å; L179-T181 PolarHBondContact O-OG1 3.08Å
180	S	65.5	Low	61.4	Low	46 Å²	46	53.6 Å²	53.6	32%	0.322	31%	0.306	S	S	.	.			trans	-76.4	86.2	176.4	-177.2	0	0	0	0	110	F176 G182 M183	F176-S180 WeakPolarHBondContact O-CA 2.97Å; F176-S180 WeakPolarHBondContact O-CB 3.34Å; F176-S180 PolarHBondContact O-N 3.25Å; S180-G182 PolarHBondContact O-N 3.42Å; S180-M183 PolarHBondContact O-N 3.39Å
181	T	50.3	Low	59.7	Low	104 Å²	104	56.1 Å²	56.1	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-54	-19.6	169.9	-43.9	0	0	0	0	112.4	L179 F184 C185	L179-T181 VanDerWaalsContact C-N 3.31Å; L179-T181 PolarHBondContact O-N 3.34Å; L179-T181 PolarHBondContact O-OG1 3.08Å; T181-F184 WeakPolarHBondContact O-CB 3.32Å; T181-F184 PolarHBondContact O-N 2.76Å; T181-C185 PolarHBondContact O-N 3.24Å
182	G	49.7	Very low	58.1	Low	46 Å²	46	56.2 Å²	56.2	47%	0.474	33%	0.327	S	S	.	.	H	α-helix	trans	-75.3	-38	180	0	0	0	0	0	115.2	S180 F184 S186	S180-G182 PolarHBondContact O-N 3.42Å; G182-F184 PolarHBondContact O-N 3.09Å; G182-S186 PolarHBondContact O-N 3.17Å; G182-S186 PolarHBondContact O-OG 3.38Å
183	M	54.7	Low	56.3	Low	72 Å²	72	56 Å²	56	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-72	-23.4	169.3	-69.7	-151.4	-57.3	0	0	110.9	R69 E154 L177 S180 S187	R69-M183 PolarHBondContact NH1-O 3.22Å; E154-M183 HydrophobicContact CG-CE 3.92Å; L177-M183 HydrophobicContact CD1-CE 4.08Å; L177-M183 HydrophobicContact CD2-CE 4.19Å; L177-M183 HydrophobicContact CG-CE 3.6Å; S180-M183 PolarHBondContact O-N 3.39Å; M183-S187 WeakPolarHBondContact O-CB 3.48Å; M183-S187 PolarHBondContact O-N 3.26Å; M183-S187 VanDerWaalsContact O-N 3.16Å; M183-S187 PolarHBondContact O-OG 3.15Å
184	F	48.6	Very low	54.3	Low	30 Å²	30	60.1 Å²	60.1	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-44.7	-179.3	-108.9	-79.7	0	0	0	114	A68 R69 A72 T181 G182	A68-F184 VanDerWaalsContact C-CE1 3.41Å; A68-F184 HydrophobicContact CB-CE2 4.3Å; A68-F184 HydrophobicContact CB-CZ 3.55Å; A68-F184 WeakPolarHBondContact O-CE1 3.29Å; A68-F184 WeakPolarHBondContact O-CZ 3.11Å; R69-F184 VanDerWaalsContact CA-CE1 3.45Å; R69-F184 HydrophobicContact CB-CE1 4.42Å; R69-F184 HydrophobicContact CG-CE1 4.26Å; R69-F184 HydrophobicContact CG-CZ 4.08Å; A72-F184 HydrophobicContact CB-CD1 3.11Å; A72-F184 HydrophobicContact CB-CE1 3.19Å; A72-F184 HydrophobicContact CB-CG 4.36Å; T181-F184 WeakPolarHBondContact O-CB 3.32Å; T181-F184 PolarHBondContact O-N 2.76Å; G182-F184 PolarHBondContact O-N 3.09Å
185	C	47.1	Very low	52.5	Low	66 Å²	66	66 Å²	66	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-72.9	-44.6	175	-64.8	0	0	0	0	111.3	T181 S187 S188 V189	T181-C185 PolarHBondContact O-N 3.24Å; C185-S187 VanDerWaalsContact C-N 3.26Å; C185-S187 PolarHBondContact O-N 2.82Å; C185-S188 PolarHBondContact O-N 3.3Å; C185-S188 PolarHBondContact O-OG 3.33Å; C185-V189 WeakPolarHBondContact O-CG2 3.44Å; C185-V189 PolarHBondContact O-N 3.42Å
186	S	45	Very low	50.4	Low	66 Å²	66	69.9 Å²	69.9	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-29.6	-177	-52.6	0	0	0	0	113.8	G182 S188	G182-S186 PolarHBondContact O-N 3.17Å; G182-S186 PolarHBondContact O-OG 3.38Å; S186-S188 PolarHBondContact O-N 2.82Å
187	S	45.4	Very low	48	Very low	11 Å²	11	74.2 Å²	74.2	8%	0.077	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.4	176.5	-55.5	0	0	0	0	114.4	R69 L146 S150 M183 C185	R69-S187 PolarHBondContact NH1-OG 2.96Å; L146-S187 VanDerWaalsContact CB-O 3.23Å; L146-S187 WeakPolarHBondContact CB-O 3.16Å; S150-S187 VanDerWaalsContact CB-CB 3.5Å; S150-S187 VanDerWaalsContact CB-OG 3.24Å; S150-S187 WeakPolarHBondContact CB-OG 3.48Å; S150-S187 WeakPolarHBondContact OG-CB 3.45Å; S150-S187 PolarHBondContact OG-OG 3.41Å; M183-S187 WeakPolarHBondContact O-CB 3.48Å; M183-S187 PolarHBondContact O-N 3.26Å; M183-S187 VanDerWaalsContact O-N 3.16Å; M183-S187 PolarHBondContact O-OG 3.15Å; C185-S187 VanDerWaalsContact C-N 3.26Å; C185-S187 PolarHBondContact O-N 2.82Å
188	S	39.8	Very low	45.9	Very low	9 Å²	9	82 Å²	82	6%	0.063	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-7.6	176.5	63.8	0	0	0	0	112.8	R143 C185 S186	R143-S188 PolarHBondContact NH2-OG 3.41Å; C185-S188 PolarHBondContact O-N 3.3Å; C185-S188 PolarHBondContact O-OG 3.33Å; S186-S188 PolarHBondContact O-N 2.82Å
189	V	41.6	Very low	44.7	Very low	43 Å²	43	83.9 Å²	83.9	26%	0.261	49%	0.486	S	S	.	.	S	Bend	trans	-79	125.2	175.4	172	0	0	0	0	106.5	E83 C185 P191	E83-V189 VanDerWaalsContact OE1-CA 3.26Å; E83-V189 WeakPolarHBondContact OE1-CA 3.34Å; E83-V189 WeakPolarHBondContact OE1-CG2 3.22Å; C185-V189 WeakPolarHBondContact O-CG2 3.44Å; C185-V189 PolarHBondContact O-N 3.42Å; V189-P191 VanDerWaalsContact C-N 3.31Å; V189-P191 HydrophobicContact CG1-CG 3.54Å; V189-P191 VanDerWaalsContact O-CD 3.27Å; V189-P191 WeakPolarHBondContact O-CD 3.43Å
190	Y	46	Very low	43.6	Very low	18 Å²	18	81.3 Å²	81.3	7%	0.071	48%	0.475	C	S	.	.	S	Bend	trans	-68.1	-3.4	-173.7	-136.3	-100.6	0	0	0	116.1	Y87 Y116 H120 L142	Y87-Y190 AromaticContact CD1-CD1 3.71Å; Y87-Y190 HydrophobicContact CD1-CD1 3.71Å; Y87-Y190 HydrophobicContact CD1-CE1 4.49Å; Y87-Y190 AromaticContact CG-CD1 3.73Å; Y87-Y190 HydrophobicContact CG-CD1 3.73Å; Y87-Y190 HydrophobicContact CG-CG 4.21Å; Y116-Y190 HydrophobicContact CD1-CD1 4.25Å; Y116-Y190 HydrophobicContact CD1-CE1 4.39Å; Y116-Y190 AromaticContact CE1-CD1 3.43Å; Y116-Y190 HydrophobicContact CE1-CD1 3.43Å; Y116-Y190 VanDerWaalsContact CE1-CD1 3.43Å; Y116-Y190 AromaticContact CE1-CE1 3.75Å; Y116-Y190 HydrophobicContact CE1-CE1 3.75Å; Y116-Y190 HydrophobicContact CE1-CG 4.45Å; Y116-Y190 WeakPolarHBondContact CE1-O 3.47Å; Y116-Y190 PolarHBondContact OH-O 3.3Å; H120-Y190 HydrophobicContact CB-CE1 3.97Å; H120-Y190 WeakPolarHBondContact CB-OH 3.23Å; H120-Y190 AromaticContact CD2-CE1 3.41Å; H120-Y190 VanDerWaalsContact CD2-CE1 3.41Å; H120-Y190 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y190 AromaticContact CD2-CE2 3.79Å; H120-Y190 AromaticContact CD2-CZ 3.23Å; H120-Y190 PolarHBondContact CD2-OH 2.69Å; H120-Y190 AromaticContact CG-CE1 3.76Å; H120-Y190 AromaticContact CG-CZ 3.77Å; L142-Y190 HydrophobicContact CB-CE2 4.41Å; L142-Y190 HydrophobicContact CD1-CE2 4.32Å
191	P	43.6	Very low	42.3	Very low	53 Å²	53	83.3 Å²	83.3	34%	0.344	48%	0.483	S	S	.	.	S	Bend	trans	-84.7	116.3	157.3	26.6	-12.5	0	0	0	109.2	V189	V189-P191 VanDerWaalsContact C-N 3.31Å; V189-P191 HydrophobicContact CG1-CG 3.54Å; V189-P191 VanDerWaalsContact O-CD 3.27Å; V189-P191 WeakPolarHBondContact O-CD 3.43Å
192	L	41.5	Very low	41.9	Very low	62 Å²	62	82.1 Å²	82.1	33%	0.325	47%	0.474	S	S	.	.			trans	-29.6	134.9	170.8	-118.5	117	0	0	0	113.8	Y116 L194	Y116-L192 HydrophobicContact CD2-CD1 4.27Å; Y116-L192 HydrophobicContact CE2-CB 4.09Å; Y116-L192 HydrophobicContact CE2-CD1 3.33Å; Y116-L192 HydrophobicContact CE2-CG 4.27Å; Y116-L192 PolarHBondContact OH-N 2.8Å; L192-L194 HydrophobicContact CB-CB 4.48Å; L192-L194 HydrophobicContact CD2-CB 3.8Å; L192-L194 HydrophobicContact CD2-CD1 3.37Å; L192-L194 HydrophobicContact CD2-CG 4.16Å; L192-L194 PolarHBondContact O-N 2.79Å
193	P	42.9	Very low	41.4	Very low	91 Å²	91	84.3 Å²	84.3	59%	0.591	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	8.7	172.1	24.5	-32.9	0	0	0	114.8
194	L	38.5	Very low	40.5	Very low	138 Å²	138	85.1 Å²	85.1	72%	0.723	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.6	177.6	-110.5	107.4	0	0	0	114.5	L192	L192-L194 HydrophobicContact CB-CB 4.48Å; L192-L194 HydrophobicContact CD2-CB 3.8Å; L192-L194 HydrophobicContact CD2-CD1 3.37Å; L192-L194 HydrophobicContact CD2-CG 4.16Å; L192-L194 PolarHBondContact O-N 2.79Å
195	I	39.3	Very low	39.9	Very low	140 Å²	140	89.1 Å²	89.1	72%	0.718	51%	0.507	S	S	*	.	S	Bend	trans	-98.8	-17.2	-176.5	-74	162.2	0	0	0	113.3	W197	I195-W197 VanDerWaalsContact C-N 3.27Å; I195-W197 PolarHBondContact O-N 2.8Å
196	C	31.4	Very low	39.4	Very low	127 Å²	127	90.8 Å²	90.8	86%	0.858	51%	0.512	S	S	*	.	S	Bend	trans	-87.9	8.4	179.4	-138.6	0	0	0	0	113.7
197	W	25.8	Very low	38.9	Very low	247 Å²	247	92.9 Å²	92.9	94%	0.936	52%	0.516	S	S	*	.			trans	-122.7	49.8	172.4	-147.5	31.9	0	0	0	111.2	I195	I195-W197 VanDerWaalsContact C-N 3.27Å; I195-W197 PolarHBondContact O-N 2.8Å
198	S	31	Very low	38.3	Very low	176 Å²	176	100.4 Å²	100.4	100%	1.231	56%	0.556	S	S	*	*			trans	-148.6	0	158.7	-170.1	0	0	0	0	111.1

Retrieved 198 of 198 residues in 332.7 ms (Link to these results)

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