A0A087WVC0_HUMAN Loading...

Mannosyltransferase

AlphaFold DB , UniProt , Accession A0A087WVC0, Species HUMAN (Homo sapiens, Human), Gene ALG9, Length 168 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	36.8	Very low	41.2	Very low	242 Å²	242	170.2 Å²	170.2	100%	1.192	88%	0.876	S	S	*	*				0	98.6	0	-70.1	176	166.5	0	0	106.6
2	A	43.1	Very low	40.5	Very low	99 Å²	99	162.6 Å²	162.6	82%	0.818	87%	0.871	S	S	*	*				69.8	134.5	108.4	0	0	0	0	0	112.6
3	S	41.7	Very low	39.9	Very low	116 Å²	116	158.6 Å²	158.6	81%	0.811	86%	0.864	S	S	*	*			cis	-169.7	158.9	-2	45.7	0	0	0	0	107.8
4	R	46.5	Very low	39.4	Very low	255 Å²	255	153.1 Å²	153.1	96%	0.962	86%	0.862	S	S	*	*			trans	-59.2	161.1	179.9	-64.3	168.8	163.7	175.3	-6.2	114.7
5	G	45.3	Very low	39	Very low	85 Å²	85	149.5 Å²	149.5	88%	0.876	86%	0.859	S	S	*	*			trans	158.3	97.8	146.4	0	0	0	0	0	116.3
6	A	44.5	Very low	38.6	Very low	96 Å²	96	147.3 Å²	147.3	79%	0.793	86%	0.855	S	S	*	*			trans	-112	134.9	167.9	0	0	0	0	0	109.8
7	R	42.6	Very low	38.3	Very low	250 Å²	250	144.8 Å²	144.8	94%	0.943	85%	0.848	S	S	*	*				171.6	157.6	126.1	-107.5	-173.2	171.4	-145.3	-0.1	114.3
8	Q	38	Very low	38	Very low	171 Å²	171	140.3 Å²	140.3	80%	0.799	84%	0.838	S	S	*	*			trans	-86.8	154.1	-165.5	-67.9	167.9	-56	0	0	115.3
9	R	36.7	Very low	38.2	Very low	212 Å²	212	141.1 Å²	141.1	80%	0.8	84%	0.837	S	S	*	*				49	126.5	123.7	-156.1	-168.5	-178.8	-145.1	1	119
10	L	37.8	Very low	38.4	Very low	153 Å²	153	141 Å²	141	80%	0.801	84%	0.838	S	S	*	*				178.8	154.9	108.3	-94.4	162.1	0	0	0	114
11	K	40.3	Very low	38.7	Very low	193 Å²	193	138.8 Å²	138.8	84%	0.839	84%	0.835	S	S	*	*			trans	-95.8	150	-172.2	-179.5	119.9	173.3	173.3	0	109.8
12	G	32.4	Very low	39.4	Very low	79 Å²	79	131 Å²	131	81%	0.814	80%	0.803	S	S	*	*			trans	-162	133.9	167.3	0	0	0	0	0	111.8
13	S	33.2	Very low	39.9	Very low	111 Å²	111	130 Å²	130	78%	0.776	80%	0.795	S	S	*	*			trans	-140.8	147.7	-165.5	46.5	0	0	0	0	110.4
14	G	33.2	Very low	40.6	Very low	81 Å²	81	127.4 Å²	127.4	84%	0.835	78%	0.78	S	S	*	*			trans	82.9	157.9	161.5	0	0	0	0	0	115.5
15	A	33.4	Very low	41.2	Very low	99 Å²	99	119.6 Å²	119.6	82%	0.818	76%	0.758	S	S	*	*			cis	174.6	179.2	-9.5	0	0	0	0	0	106.1
16	S	32	Very low	41.8	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	75%	0.746	S	S	*	*			trans	88.9	143.6	168.7	130.5	0	0	0	0	116.6
17	S	33.6	Very low	42.3	Very low	105 Å²	105	123.1 Å²	123.1	73%	0.734	74%	0.735	S	S	*	*			cis	173.6	146.2	-11.1	43.4	0	0	0	0	107.4
18	G	33.7	Very low	43.2	Very low	65 Å²	65	120.4 Å²	120.4	67%	0.67	73%	0.725	S	S	*	*			trans	99.4	113.8	144.6	0	0	0	0	0	119.2
19	D	41.9	Very low	44.1	Very low	155 Å²	155	118 Å²	118	83%	0.829	71%	0.714	S	S	*	*			trans	69.2	96.7	133.7	-51.7	-26.4	0	0	0	120.6
20	T	41.7	Very low	44.9	Very low	138 Å²	138	113.9 Å²	113.9	85%	0.847	71%	0.707	S	S	*	*				170.6	101.3	122.4	27.5	0	0	0	0	108.1	P22	T20-P22 WeakPolarHBondContact O-CD 3.37Å
21	A	45	Very low	45.8	Very low	95 Å²	95	112.8 Å²	112.8	79%	0.785	70%	0.701	S	S	*	*			trans	-66.4	120.4	172	0	0	0	0	0	108.9
22	P	50.7	Low	46.2	Very low	78 Å²	78	106.2 Å²	106.2	51%	0.506	69%	0.689	S	S	.	*			trans	-73.2	136.9	175	29.5	-31.1	0	0	0	108.8	T20 A24 D25	T20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-A24 HydrophobicContact CB-CB 4.39Å; P22-A24 PolarHBondContact O-N 3.44Å; P22-D25 PolarHBondContact O-N 2.65Å
23	A	54.1	Low	46.8	Very low	80 Å²	80	106.4 Å²	106.4	66%	0.661	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	-10.3	174.6	0	0	0	0	0	114.7	L27	A23-L27 PolarHBondContact O-N 3.22Å
24	A	56.4	Low	47.5	Very low	60 Å²	60	111.6 Å²	111.6	50%	0.496	68%	0.68	S	S	.	*	H	α-helix	trans	-62.6	-34.8	170.4	0	0	0	0	0	113.8	P22 L27 R28	P22-A24 HydrophobicContact CB-CB 4.39Å; P22-A24 PolarHBondContact O-N 3.44Å; A24-L27 PolarHBondContact O-N 3.4Å; A24-R28 WeakPolarHBondContact O-CB 3.41Å; A24-R28 PolarHBondContact O-N 2.79Å
25	D	59	Low	48	Very low	92 Å²	92	116.3 Å²	116.3	49%	0.492	68%	0.68	S	S	.	*	H	α-helix	trans	-73.3	-35.5	-177.4	-73.4	-33.1	0	0	0	112.1	P22 R28 E29	P22-D25 PolarHBondContact O-N 2.65Å; D25-R28 WeakPolarHBondContact O-CB 3.19Å; D25-R28 PolarHBondContact O-N 3.12Å; D25-E29 PolarHBondContact O-N 3.12Å; D25-E29 VanDerWaalsContact O-N 3.08Å
26	K	58.1	Low	48.6	Very low	146 Å²	146	115.9 Å²	115.9	64%	0.635	68%	0.677	S	S	*	*	H	α-helix	trans	-66.6	-36.1	173.3	-81.1	-77.4	-178.9	-168.9	0	112.5	L30	K26-L30 WeakPolarHBondContact O-CG 3.29Å; K26-L30 PolarHBondContact O-N 3.44Å
27	L	55.7	Low	48.9	Very low	108 Å²	108	114.3 Å²	114.3	57%	0.565	68%	0.678	S	S	*	*	H	α-helix	trans	-69.1	-34.7	173.2	-82.2	168	0	0	0	111.9	A23 A24 L30 L31	A23-L27 PolarHBondContact O-N 3.22Å; A24-L27 PolarHBondContact O-N 3.4Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.85Å
28	R	60	Low	48.8	Very low	194 Å²	194	112.9 Å²	112.9	73%	0.732	68%	0.68	S	S	*	*	H	α-helix	trans	-68.6	-33.9	177.3	-157	174.9	-178.7	-146.6	-1.5	112.6	A24 D25 G32	A24-R28 WeakPolarHBondContact O-CB 3.41Å; A24-R28 PolarHBondContact O-N 2.79Å; D25-R28 WeakPolarHBondContact O-CB 3.19Å; D25-R28 PolarHBondContact O-N 3.12Å; R28-G32 PolarHBondContact O-N 3.49Å
29	E	57.2	Low	48.9	Very low	121 Å²	121	114.3 Å²	114.3	57%	0.565	69%	0.686	S	S	*	*	H	α-helix	trans	-71.5	-38.2	174	-164.4	-178.2	172.9	0	0	112.3	D25 G32 S33	D25-E29 PolarHBondContact O-N 3.12Å; D25-E29 VanDerWaalsContact O-N 3.08Å; E29-G32 PolarHBondContact O-N 3Å; E29-S33 WeakPolarHBondContact O-CB 3.46Å; E29-S33 PolarHBondContact O-N 2.78Å; E29-S33 PolarHBondContact O-OG 2.98Å
30	L	53.4	Low	48.5	Very low	125 Å²	125	114 Å²	114	65%	0.654	68%	0.68	S	S	*	*	H	α-helix	trans	-74.7	-36.4	176.3	-70.3	177.5	0	0	0	113.3	K26 L27 S33 R34	K26-L30 WeakPolarHBondContact O-CG 3.29Å; K26-L30 PolarHBondContact O-N 3.44Å; L27-L30 PolarHBondContact O-N 2.99Å; L30-S33 PolarHBondContact O-N 2.96Å; L30-R34 PolarHBondContact O-N 3.4Å
31	L	57.7	Low	48	Very low	129 Å²	129	115.9 Å²	115.9	68%	0.675	68%	0.678	S	S	*	*	H	α-helix	trans	-69.7	-34.3	171.1	-71.7	169.8	0	0	0	111.4	L27 S33	L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.85Å; L31-S33 VanDerWaalsContact C-N 3.33Å
32	G	47.1	Very low	47.5	Very low	56 Å²	56	120.3 Å²	120.3	58%	0.577	68%	0.675	S	S	*	*	H	α-helix	trans	-70.4	-25.4	174.2	0	0	0	0	0	114.2	R28 E29	R28-G32 PolarHBondContact O-N 3.49Å; E29-G32 PolarHBondContact O-N 3Å
33	S	46.5	Very low	46.7	Very low	82 Å²	82	121 Å²	121	57%	0.573	68%	0.677	S	S	*	*	H	α-helix	trans	-93	-12.7	-178.7	-57.6	0	0	0	0	114.2	E29 L30 L31	E29-S33 WeakPolarHBondContact O-CB 3.46Å; E29-S33 PolarHBondContact O-N 2.78Å; E29-S33 PolarHBondContact O-OG 2.98Å; L30-S33 PolarHBondContact O-N 2.96Å; L31-S33 VanDerWaalsContact C-N 3.33Å
34	R	47.8	Very low	46	Very low	221 Å²	221	125.4 Å²	125.4	83%	0.834	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	6.4	179.4	-161.8	147.3	100	169.9	5.1	114.9	L30	L30-R34 PolarHBondContact O-N 3.4Å
35	E	42.4	Very low	45.3	Very low	179 Å²	179	130 Å²	130	84%	0.836	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	28.6	165.7	-62.6	-70.8	124	0	0	110.4
36	A	46.8	Very low	44.6	Very low	91 Å²	91	131.4 Å²	131.4	75%	0.752	72%	0.717	S	S	*	*	S	Bend	trans	-111.6	71.4	169.9	0	0	0	0	0	108.8
37	G	37.9	Very low	43.6	Very low	80 Å²	80	127.4 Å²	127.4	83%	0.825	72%	0.717	S	S	*	*	S	Bend	trans	168.6	85	175.6	0	0	0	0	0	114
38	G	32.1	Very low	43.4	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	73%	0.729	S	S	*	*			trans	134.8	102.8	156.6	0	0	0	0	0	115.7
39	A	35.5	Very low	42.5	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	73%	0.732	S	S	*	*			trans	72.5	150.9	152.7	0	0	0	0	0	119.2
40	E	33.5	Very low	42.1	Very low	148 Å²	148	128.6 Å²	128.6	69%	0.692	75%	0.75	S	S	*	*			trans	84.2	93	167.2	-54	-75	87.7	0	0	115.8	R42	E40-R42 PolarHBondContact O-N 3.42Å
41	H	31.2	Very low	41.9	Very low	177 Å²	177	126 Å²	126	82%	0.819	75%	0.753	S	S	*	*			trans	-60.6	80.1	145.5	-179.7	-84.9	0	0	0	107.5	T43	H41-T43 VanDerWaalsContact C-N 3.26Å; H41-T43 PolarHBondContact ND1-OG1 2.7Å; H41-T43 PolarHBondContact O-N 3.46Å
42	R	34.8	Very low	41.5	Very low	189 Å²	189	127.8 Å²	127.8	71%	0.713	76%	0.758	S	S	*	*			trans	-67.6	90	173.8	-177.7	158.9	-67.2	178.8	2.9	107.3	E40 E44	E40-R42 PolarHBondContact O-N 3.42Å; R42-E44 HydrophobicContact CG-CG 4.27Å; R42-E44 PolarHBondContact O-N 3.38Å
43	T	34.4	Very low	41.8	Very low	91 Å²	91	131.2 Å²	131.2	56%	0.558	77%	0.767	S	S	*	*			trans	-58.3	92.5	160.1	-57.3	0	0	0	0	107	H41 L45	H41-T43 VanDerWaalsContact C-N 3.26Å; H41-T43 PolarHBondContact ND1-OG1 2.7Å; H41-T43 PolarHBondContact O-N 3.46Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 HydrophobicContact CG2-CB 4.34Å; T43-L45 HydrophobicContact CG2-CD1 3.77Å; T43-L45 HydrophobicContact CG2-CG 4.38Å; T43-L45 PolarHBondContact O-N 3.32Å
44	E	38.4	Very low	42.4	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.813	78%	0.782	S	S	*	*			trans	-64.6	93.4	165.2	-69.5	-142.5	123	0	0	108.2	R42	R42-E44 HydrophobicContact CG-CG 4.27Å; R42-E44 PolarHBondContact O-N 3.38Å
45	L	42.3	Very low	43	Very low	156 Å²	156	131.6 Å²	131.6	82%	0.817	77%	0.773	S	S	*	*			trans	-115.3	68.5	165.7	-108.7	153.2	0	0	0	108	T43	T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 HydrophobicContact CG2-CB 4.34Å; T43-L45 HydrophobicContact CG2-CD1 3.77Å; T43-L45 HydrophobicContact CG2-CG 4.38Å; T43-L45 PolarHBondContact O-N 3.32Å
46	S	43.8	Very low	44	Very low	121 Å²	121	125.6 Å²	125.6	85%	0.846	75%	0.75	S	S	*	*			trans	-72.3	125	161.5	-179.6	0	0	0	0	109.1
47	G	36.5	Very low	45.2	Very low	62 Å²	62	127.7 Å²	127.7	64%	0.639	74%	0.744	S	S	*	*			trans	116.4	93.4	151.1	0	0	0	0	0	116.8	K49	G47-K49 PolarHBondContact O-N 3.39Å
48	N	51.3	Low	46.8	Very low	154 Å²	154	126.7 Å²	126.7	82%	0.824	73%	0.733	S	S	*	*			trans	2.1	107.7	147	-75.9	6.3	0	0	0	117.9
49	K	43.1	Very low	48.8	Very low	180 Å²	180	125.2 Å²	125.2	78%	0.783	71%	0.711	S	S	*	*			trans	-142.1	91.5	138.6	-67.4	-61.1	169.2	-169.2	0	109.7	G47 G51	G47-K49 PolarHBondContact O-N 3.39Å; K49-G51 PolarHBondContact O-N 3.14Å; K49-G51 VanDerWaalsContact O-N 3.12Å
50	A	46.9	Very low	50.7	Low	114 Å²	114	124.1 Å²	124.1	94%	0.942	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	114.5	154.9	0	0	0	0	0	107.8
51	G	50.4	Low	52.9	Low	70 Å²	70	118.6 Å²	118.6	72%	0.722	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	128.7	5.1	177.7	0	0	0	0	0	117.3	K49 V53	K49-G51 PolarHBondContact O-N 3.14Å; K49-G51 VanDerWaalsContact O-N 3.12Å; G51-V53 PolarHBondContact O-N 3.47Å
52	Q	48.1	Very low	55.1	Low	168 Å²	168	116.5 Å²	116.5	79%	0.785	66%	0.663	S	S	*	*			trans	-85.3	106.7	165.6	-75.5	-71.1	-58.6	0	0	108.7	W54	Q52-W54 PolarHBondContact O-N 3.33Å; Q52-W54 VanDerWaalsContact O-N 3.12Å
53	V	53.8	Low	57.2	Low	128 Å²	128	114.2 Å²	114.2	78%	0.776	66%	0.658	S	S	*	*			trans	-52.1	119	166.2	176.1	0	0	0	0	106.8	G51 A55	G51-V53 PolarHBondContact O-N 3.47Å; V53-A55 PolarHBondContact O-N 2.88Å
54	W	59.1	Low	59.5	Low	232 Å²	232	113.7 Å²	113.7	88%	0.879	66%	0.657	S	S	*	*			trans	-66	88.5	176.9	-177.5	85.2	0	0	0	108.5	Q52 P56	Q52-W54 PolarHBondContact O-N 3.33Å; Q52-W54 VanDerWaalsContact O-N 3.12Å; W54-P56 HydrophobicContact CH2-CG 4.31Å; W54-P56 HydrophobicContact CZ2-CG 4.49Å; W54-P56 HydrophobicContact CZ3-CG 4.48Å
55	A	61.6	Low	61.5	Low	78 Å²	78	110.8 Å²	110.8	65%	0.645	65%	0.647	S	S	*	*			trans	-115.1	102.1	169.2	0	0	0	0	0	106.2	V53 E57	V53-A55 PolarHBondContact O-N 2.88Å; A55-E57 PolarHBondContact O-N 3.42Å
56	P	63.5	Low	63.3	Low	54 Å²	54	108.2 Å²	108.2	35%	0.351	63%	0.633	S	S	.	*			trans	-55.9	138.1	169.7	22	-30.1	0	0	0	108.5	W54 G58 T60 A61	W54-P56 HydrophobicContact CH2-CG 4.31Å; W54-P56 HydrophobicContact CZ2-CG 4.49Å; W54-P56 HydrophobicContact CZ3-CG 4.48Å; P56-G58 PolarHBondContact O-N 2.89Å; P56-T60 HydrophobicContact CB-CG2 4.28Å; P56-A61 HydrophobicContact CG-CB 4.47Å
57	E	70.9	Confident	65.2	Low	135 Å²	135	105.2 Å²	105.2	63%	0.631	61%	0.612	S	S	*	*			trans	-45.5	138.1	175.3	-167.1	-152.1	140.8	0	0	109.6	A55 S59 T60 A61	A55-E57 PolarHBondContact O-N 3.42Å; E57-S59 PolarHBondContact O-N 3.31Å; E57-S59 WeakPolarHBondContact OE1-CB 3.36Å; E57-S59 PolarHBondContact OE1-OG 2.95Å; E57-S59 PolarHBondContact OE2-OG 2.99Å; E57-T60 WeakPolarHBondContact O-CA 3.37Å; E57-T60 WeakPolarHBondContact O-CB 3.34Å; E57-T60 PolarHBondContact O-N 2.81Å; E57-A61 PolarHBondContact O-N 2.9Å
58	G	72.3	Confident	67.4	Low	58 Å²	58	104.9 Å²	104.9	60%	0.598	60%	0.604	S	S	*	*	H	α-helix	trans	-53.7	-29	-174.3	0	0	0	0	0	113.8	P56 F62	P56-G58 PolarHBondContact O-N 2.89Å; G58-F62 WeakPolarHBondContact O-CB 3.21Å; G58-F62 PolarHBondContact O-N 3.13Å
59	S	73.2	Confident	68.6	Low	44 Å²	44	107.2 Å²	107.2	31%	0.308	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-35.9	173.7	72.5	0	0	0	0	113.1	E57 K63	E57-S59 PolarHBondContact O-N 3.31Å; E57-S59 WeakPolarHBondContact OE1-CB 3.36Å; E57-S59 PolarHBondContact OE1-OG 2.95Å; E57-S59 PolarHBondContact OE2-OG 2.99Å; S59-K63 WeakPolarHBondContact O-CB 3.33Å; S59-K63 VanDerWaalsContact O-CG 3.23Å; S59-K63 WeakPolarHBondContact O-CG 3.17Å; S59-K63 PolarHBondContact O-N 3.47Å
60	T	76.7	Confident	70.3	Confident	73 Å²	73	103.7 Å²	103.7	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-74.5	-42.3	176.7	-60.4	0	0	0	0	110.6	P56 E57 F62 K63 C64	P56-T60 HydrophobicContact CB-CG2 4.28Å; E57-T60 WeakPolarHBondContact O-CA 3.37Å; E57-T60 WeakPolarHBondContact O-CB 3.34Å; E57-T60 PolarHBondContact O-N 2.81Å; T60-F62 VanDerWaalsContact C-N 3.33Å; T60-F62 PolarHBondContact O-N 3.3Å; T60-K63 PolarHBondContact O-N 3.33Å; T60-C64 VanDerWaalsContact O-CB 3.26Å; T60-C64 WeakPolarHBondContact O-CB 3.23Å; T60-C64 PolarHBondContact O-N 2.96Å
61	A	77.8	Confident	71.6	Confident	32 Å²	32	101.3 Å²	101.3	26%	0.264	57%	0.566	S	S	.	*	H	α-helix	trans	-60.8	-42.9	171.6	0	0	0	0	0	111.2	P56 E57 C64 L65	P56-A61 HydrophobicContact CG-CB 4.47Å; E57-A61 PolarHBondContact O-N 2.9Å; A61-C64 PolarHBondContact O-N 3.45Å; A61-L65 WeakPolarHBondContact O-CB 3.18Å; A61-L65 VanDerWaalsContact O-CG 3.23Å; A61-L65 WeakPolarHBondContact O-CG 3.38Å; A61-L65 PolarHBondContact O-N 3.14Å
62	F	77.3	Confident	72.5	Confident	133 Å²	133	100.7 Å²	100.7	58%	0.583	55%	0.554	S	S	*	*	H	α-helix	trans	-62.3	-47.1	176.1	179	-98.7	0	0	0	112.4	G58 T60 C64 L65 L66	G58-F62 WeakPolarHBondContact O-CB 3.21Å; G58-F62 PolarHBondContact O-N 3.13Å; T60-F62 VanDerWaalsContact C-N 3.33Å; T60-F62 PolarHBondContact O-N 3.3Å; F62-C64 VanDerWaalsContact C-N 3.3Å; F62-C64 PolarHBondContact O-N 3.42Å; F62-L65 PolarHBondContact O-N 2.83Å; F62-L66 HydrophobicContact CE1-CD2 4.22Å; F62-L66 VanDerWaalsContact O-CB 3.26Å; F62-L66 WeakPolarHBondContact O-CB 3.26Å; F62-L66 PolarHBondContact O-N 3.37Å
63	K	80.3	Confident	73.3	Confident	142 Å²	142	96 Å²	96	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-60.3	-41.2	175.7	-74.6	169.6	-177.7	179.8	0	111.9	S59 T60 L66 S67	S59-K63 WeakPolarHBondContact O-CB 3.33Å; S59-K63 VanDerWaalsContact O-CG 3.23Å; S59-K63 WeakPolarHBondContact O-CG 3.17Å; S59-K63 PolarHBondContact O-N 3.47Å; T60-K63 PolarHBondContact O-N 3.33Å; K63-L66 PolarHBondContact O-N 2.89Å; K63-S67 WeakPolarHBondContact O-CB 3.39Å; K63-S67 PolarHBondContact O-N 2.92Å; K63-S67 PolarHBondContact O-OG 3.4Å; K63-S67 VanDerWaalsContact O-OG 3.13Å
64	C	82.7	Confident	73.9	Confident	79 Å²	79	96.4 Å²	96.4	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-42.5	177.2	-173.5	0	0	0	0	112.1	T60 A61 F62 S67 A68	T60-C64 VanDerWaalsContact O-CB 3.26Å; T60-C64 WeakPolarHBondContact O-CB 3.23Å; T60-C64 PolarHBondContact O-N 2.96Å; A61-C64 PolarHBondContact O-N 3.45Å; F62-C64 VanDerWaalsContact C-N 3.3Å; F62-C64 PolarHBondContact O-N 3.42Å; C64-S67 PolarHBondContact O-OG 2.98Å; C64-A68 WeakPolarHBondContact O-CB 3.26Å; C64-A68 PolarHBondContact O-N 3.39Å
65	L	79.9	Confident	73.9	Confident	114 Å²	114	92.3 Å²	92.3	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-68.1	-39.4	176	-70.8	171.9	0	0	0	111.6	A61 F62 A68 R69	A61-L65 WeakPolarHBondContact O-CB 3.18Å; A61-L65 VanDerWaalsContact O-CG 3.23Å; A61-L65 WeakPolarHBondContact O-CG 3.38Å; A61-L65 PolarHBondContact O-N 3.14Å; F62-L65 PolarHBondContact O-N 2.83Å; L65-A68 PolarHBondContact O-N 2.85Å; L65-R69 VanDerWaalsContact O-CB 3.3Å; L65-R69 WeakPolarHBondContact O-CB 3.46Å; L65-R69 WeakPolarHBondContact O-CG 3.25Å; L65-R69 PolarHBondContact O-N 2.77Å
66	L	80.7	Confident	74.1	Confident	101 Å²	101	92.3 Å²	92.3	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-44.5	177.5	-176.1	64.8	0	0	0	111.2	F62 K63 R69 L70	F62-L66 HydrophobicContact CE1-CD2 4.22Å; F62-L66 VanDerWaalsContact O-CB 3.26Å; F62-L66 WeakPolarHBondContact O-CB 3.26Å; F62-L66 PolarHBondContact O-N 3.37Å; K63-L66 PolarHBondContact O-N 2.89Å; L66-R69 PolarHBondContact O-N 3.22Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.46Å
67	S	83.7	Confident	73.7	Confident	58 Å²	58	95.6 Å²	95.6	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-44.1	175.3	64.5	0	0	0	0	111.1	K63 C64 R69 L70 C71	K63-S67 WeakPolarHBondContact O-CB 3.39Å; K63-S67 PolarHBondContact O-N 2.92Å; K63-S67 PolarHBondContact O-OG 3.4Å; K63-S67 VanDerWaalsContact O-OG 3.13Å; C64-S67 PolarHBondContact O-OG 2.98Å; S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 3.44Å; S67-L70 PolarHBondContact O-N 3.21Å; S67-C71 VanDerWaalsContact O-CB 3.28Å; S67-C71 WeakPolarHBondContact O-CB 3.4Å; S67-C71 PolarHBondContact O-N 2.94Å; S67-C71 PolarHBondContact O-SG 2.8Å
68	A	81.4	Confident	73.1	Confident	56 Å²	56	93.4 Å²	93.4	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-59.9	-40.6	175.7	0	0	0	0	0	112.1	C64 L65 A72	C64-A68 WeakPolarHBondContact O-CB 3.26Å; C64-A68 PolarHBondContact O-N 3.39Å; L65-A68 PolarHBondContact O-N 2.85Å; A68-A72 WeakPolarHBondContact O-CB 3.5Å; A68-A72 PolarHBondContact O-N 3.47Å
69	R	78.1	Confident	72.2	Confident	202 Å²	202	95.7 Å²	95.7	76%	0.762	54%	0.544	S	S	*	.	H	α-helix	trans	-65.7	-41.5	174.7	-72.1	-112.9	-176.9	165	-0.7	112.2	L65 L66 S67 A72 A73	L65-R69 VanDerWaalsContact O-CB 3.3Å; L65-R69 WeakPolarHBondContact O-CB 3.46Å; L65-R69 WeakPolarHBondContact O-CG 3.25Å; L65-R69 PolarHBondContact O-N 2.77Å; L66-R69 PolarHBondContact O-N 3.22Å; S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 3.44Å; R69-A72 PolarHBondContact O-N 3.07Å; R69-A73 PolarHBondContact O-N 3.23Å
70	L	78.1	Confident	71	Confident	107 Å²	107	98.6 Å²	98.6	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-69.3	-43.6	177.8	-176.1	64.6	0	0	0	111.6	L66 S67 A72 A73 L74	L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.46Å; S67-L70 PolarHBondContact O-N 3.21Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 2.79Å; L70-A73 WeakPolarHBondContact O-CB 3.23Å; L70-A73 PolarHBondContact O-N 2.81Å; L70-L74 HydrophobicContact CG-CD1 4.23Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.93Å
71	C	74.9	Confident	70.1	Confident	64 Å²	64	99 Å²	99	43%	0.432	56%	0.561	S	S	.	*	H	α-helix	trans	-62.4	-40.9	173.8	-69.6	0	0	0	0	111	S67 L74 L75	S67-C71 VanDerWaalsContact O-CB 3.28Å; S67-C71 WeakPolarHBondContact O-CB 3.4Å; S67-C71 PolarHBondContact O-N 2.94Å; S67-C71 PolarHBondContact O-SG 2.8Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-L75 HydrophobicContact CB-CD1 4.33Å; C71-L75 VanDerWaalsContact O-CB 3.22Å; C71-L75 WeakPolarHBondContact O-CB 3.08Å; C71-L75 WeakPolarHBondContact O-CG 3.37Å; C71-L75 PolarHBondContact O-N 3.4Å
72	A	69.1	Low	69	Low	56 Å²	56	103.2 Å²	103.2	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-40.6	172.8	0	0	0	0	0	111.4	A68 R69 L70 L74 S76	A68-A72 WeakPolarHBondContact O-CB 3.5Å; A68-A72 PolarHBondContact O-N 3.47Å; R69-A72 PolarHBondContact O-N 3.07Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 2.79Å; A72-L74 VanDerWaalsContact C-N 3.31Å; A72-L74 PolarHBondContact O-N 3.19Å; A72-S76 WeakPolarHBondContact O-CA 3.5Å; A72-S76 WeakPolarHBondContact O-CB 3.24Å; A72-S76 PolarHBondContact O-N 3.37Å
73	A	63.8	Low	68.2	Low	71 Å²	71	100.4 Å²	100.4	59%	0.587	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-33.5	175.6	0	0	0	0	0	113.2	R69 L70	R69-A73 PolarHBondContact O-N 3.23Å; L70-A73 WeakPolarHBondContact O-CB 3.23Å; L70-A73 PolarHBondContact O-N 2.81Å
74	L	66.1	Low	67.2	Low	136 Å²	136	96.3 Å²	96.3	71%	0.712	56%	0.555	S	S	*	*	H	α-helix	trans	-84.4	-31.7	-179.7	-66.4	171.4	0	0	0	113.6	L70 C71 A72	L70-L74 HydrophobicContact CG-CD1 4.23Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.93Å; C71-L74 PolarHBondContact O-N 3.48Å; A72-L74 VanDerWaalsContact C-N 3.31Å; A72-L74 PolarHBondContact O-N 3.19Å
75	L	60.9	Low	65.9	Low	146 Å²	146	98.1 Å²	98.1	76%	0.764	55%	0.554	S	S	*	*	H	α-helix	trans	-97.8	-15.5	-178.9	-65.2	162.5	0	0	0	113	C71 N77	C71-L75 HydrophobicContact CB-CD1 4.33Å; C71-L75 VanDerWaalsContact O-CB 3.22Å; C71-L75 WeakPolarHBondContact O-CB 3.08Å; C71-L75 WeakPolarHBondContact O-CG 3.37Å; C71-L75 PolarHBondContact O-N 3.4Å; L75-N77 PolarHBondContact O-N 2.86Å
76	S	64.5	Low	65	Low	78 Å²	78	93 Å²	93	55%	0.545	53%	0.527	S	S	.	.			trans	-72.6	78.1	166.3	-177.5	0	0	0	0	107.7	A72 I78	A72-S76 WeakPolarHBondContact O-CA 3.5Å; A72-S76 WeakPolarHBondContact O-CB 3.24Å; A72-S76 PolarHBondContact O-N 3.37Å; S76-I78 PolarHBondContact O-N 3.48Å; S76-I78 VanDerWaalsContact O-N 3.11Å
77	N	55.1	Low	63.9	Low	122 Å²	122	91.8 Å²	91.8	65%	0.652	52%	0.516	S	S	*	.			trans	-45.8	120	160.7	-173.2	54.7	0	0	0	107.4	L75 S79	L75-N77 PolarHBondContact O-N 2.86Å; N77-S79 VanDerWaalsContact C-N 3.34Å; N77-S79 PolarHBondContact O-N 3.37Å; N77-S79 PolarHBondContact O-OG 3.4Å
78	I	58.4	Low	62.6	Low	89 Å²	89	98.2 Å²	98.2	46%	0.456	53%	0.532	S	S	.	.			trans	-59.1	102.7	174.3	-76.7	86.7	0	0	0	105.6	S76 D80 C81 T84	S76-I78 PolarHBondContact O-N 3.48Å; S76-I78 VanDerWaalsContact O-N 3.11Å; I78-D80 WeakPolarHBondContact CG2-O 3.18Å; I78-D80 PolarHBondContact O-N 3.19Å; I78-C81 PolarHBondContact O-SG 2.9Å; I78-T84 HydrophobicContact CG2-CG2 4.37Å; I78-T84 VanDerWaalsContact CG2-OG1 3.24Å; I78-T84 WeakPolarHBondContact CG2-OG1 3.28Å
79	S	53.9	Low	61.7	Low	106 Å²	106	96.8 Å²	96.8	74%	0.741	52%	0.515	S	S	*	.	S	Bend	trans	-72.2	-21.2	-174.3	-62.9	0	0	0	0	112.6	N77	N77-S79 VanDerWaalsContact C-N 3.34Å; N77-S79 PolarHBondContact O-N 3.37Å; N77-S79 PolarHBondContact O-OG 3.4Å
80	D	48.1	Very low	60.7	Low	106 Å²	106	87.7 Å²	87.7	57%	0.567	48%	0.482	S	S	*	.			trans	-108	74.2	173.5	-75.5	-43.4	0	0	0	110.1	I78 E83 T84	I78-D80 WeakPolarHBondContact CG2-O 3.18Å; I78-D80 PolarHBondContact O-N 3.19Å; D80-E83 HydrophobicContact CB-CB 4.3Å; D80-T84 PolarHBondContact O-N 3.22Å; D80-T84 PolarHBondContact O-OG1 2.95Å; D80-T84 VanDerWaalsContact O-OG1 3.12Å
81	C	57.6	Low	59.7	Low	81 Å²	81	84.4 Å²	84.4	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-63.6	-35.6	-178.5	-69.8	0	0	0	0	113.1	I78 F85	I78-C81 PolarHBondContact O-SG 2.9Å; C81-F85 VanDerWaalsContact O-CB 3.27Å; C81-F85 WeakPolarHBondContact O-CB 3.26Å; C81-F85 PolarHBondContact O-N 3.31Å
82	D	53.6	Low	59.2	Low	121 Å²	121	86 Å²	86	65%	0.647	47%	0.468	S	S	*	.	H	α-helix	trans	-71.6	-38.5	-179.2	89.7	38	0	0	0	111.5	F85 N86	D82-F85 PolarHBondContact O-N 3.27Å; D82-N86 WeakPolarHBondContact O-CB 3.4Å; D82-N86 PolarHBondContact O-N 3.27Å
83	E	61.6	Low	58.8	Low	73 Å²	73	87.6 Å²	87.6	34%	0.341	46%	0.462	S	S	.	.	H	α-helix	trans	-76	-36.8	-171.5	-166.6	166.3	-151.2	0	0	110.3	D80 N86 Y87 R112	D80-E83 HydrophobicContact CB-CB 4.3Å; E83-N86 WeakPolarHBondContact O-CB 3.37Å; E83-N86 PolarHBondContact O-N 2.88Å; E83-Y87 HydrophobicContact CG-CD2 4.41Å; E83-Y87 HydrophobicContact CG-CE2 3.85Å; E83-Y87 WeakPolarHBondContact O-CD2 3.44Å; E83-Y87 PolarHBondContact O-N 3.44Å; E83-R112 IonicContact OE1-CZ 3.58Å; E83-R112 IonicContact OE1-NH1 3.6Å; E83-R112 IonicContact OE1-NH2 2.69Å; E83-R112 PolarHBondContact OE1-NH2 2.82Å
84	T	58.4	Low	58.7	Low	56 Å²	56	88.3 Å²	88.3	34%	0.344	46%	0.456	S	S	.	.	H	α-helix	trans	-66.4	-42.4	172.9	-57.1	0	0	0	0	111.5	I78 D80 N86 Y87 W88	I78-T84 HydrophobicContact CG2-CG2 4.37Å; I78-T84 VanDerWaalsContact CG2-OG1 3.24Å; I78-T84 WeakPolarHBondContact CG2-OG1 3.28Å; D80-T84 PolarHBondContact O-N 3.22Å; D80-T84 PolarHBondContact O-OG1 2.95Å; D80-T84 VanDerWaalsContact O-OG1 3.12Å; T84-N86 VanDerWaalsContact C-N 3.29Å; T84-N86 PolarHBondContact O-N 2.76Å; T84-Y87 PolarHBondContact O-N 3.46Å; T84-Y87 VanDerWaalsContact O-N 3.13Å; T84-W88 PolarHBondContact O-N 2.94Å
85	F	56.1	Low	58.4	Low	118 Å²	118	85.8 Å²	85.8	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.2	-164.5	-100.9	0	0	0	111.2	C81 D82 Y87 W88 E89	C81-F85 VanDerWaalsContact O-CB 3.27Å; C81-F85 WeakPolarHBondContact O-CB 3.26Å; C81-F85 PolarHBondContact O-N 3.31Å; D82-F85 PolarHBondContact O-N 3.27Å; F85-Y87 PolarHBondContact O-N 3.05Å; F85-W88 PolarHBondContact O-N 2.83Å; F85-E89 HydrophobicContact CD1-CB 4.47Å; F85-E89 HydrophobicContact CE1-CB 4.25Å; F85-E89 HydrophobicContact CE1-CG 4.48Å; F85-E89 WeakPolarHBondContact CE1-OE2 3.35Å; F85-E89 HydrophobicContact CZ-CB 4.43Å; F85-E89 WeakPolarHBondContact O-CB 3.32Å; F85-E89 PolarHBondContact O-N 2.77Å
86	N	61.5	Low	58.4	Low	6 Å²	6	86.7 Å²	86.7	3%	0.032	44%	0.437	C	S	.	.	H	α-helix	trans	-60.9	-20.4	174	-116.8	-26.2	0	0	0	114.4	D82 E83 T84 P90 T102 E104 Y105	D82-N86 WeakPolarHBondContact O-CB 3.4Å; D82-N86 PolarHBondContact O-N 3.27Å; E83-N86 WeakPolarHBondContact O-CB 3.37Å; E83-N86 PolarHBondContact O-N 2.88Å; T84-N86 VanDerWaalsContact C-N 3.29Å; T84-N86 PolarHBondContact O-N 2.76Å; N86-P90 WeakPolarHBondContact O-CD 3.27Å; N86-P90 WeakPolarHBondContact O-CG 3.37Å; N86-T102 WeakPolarHBondContact OD1-CB 3.24Å; N86-T102 PolarHBondContact OD1-OG1 3.24Å; N86-E104 PolarHBondContact ND2-OE1 3.4Å; N86-E104 PolarHBondContact ND2-OE2 3.33Å; N86-Y105 WeakPolarHBondContact O-CE2 3.18Å
87	Y	57.2	Low	58.1	Low	76 Å²	76	85.2 Å²	85.2	30%	0.298	43%	0.434	S	S	.	.	H	α-helix	trans	-99.3	-33.4	176	-71.1	-63.8	0	0	0	113	E83 T84 F85 T91 R112 L117	E83-Y87 HydrophobicContact CG-CD2 4.41Å; E83-Y87 HydrophobicContact CG-CE2 3.85Å; E83-Y87 WeakPolarHBondContact O-CD2 3.44Å; E83-Y87 PolarHBondContact O-N 3.44Å; T84-Y87 PolarHBondContact O-N 3.46Å; T84-Y87 VanDerWaalsContact O-N 3.13Å; F85-Y87 PolarHBondContact O-N 3.05Å; Y87-T91 PolarHBondContact O-OG1 3.49Å; Y87-R112 VanDerWaalsContact OH-CZ 3.26Å; Y87-R112 PolarHBondContact OH-NH1 3.28Å; Y87-L117 HydrophobicContact CD1-CD1 3.66Å; Y87-L117 HydrophobicContact CD1-CD2 4.37Å; Y87-L117 HydrophobicContact CD1-CG 4.06Å; Y87-L117 HydrophobicContact CE1-CD1 3.99Å; Y87-L117 WeakPolarHBondContact O-CD2 3.24Å
88	W	57.2	Low	57.9	Low	193 Å²	193	86.6 Å²	86.6	73%	0.731	44%	0.436	S	S	*	.	H	α-helix	trans	-77.9	-44	-177.7	-88.9	79.6	0	0	0	113.2	T84 F85 T91 H92	T84-W88 PolarHBondContact O-N 2.94Å; F85-W88 PolarHBondContact O-N 2.83Å; W88-T91 PolarHBondContact O-N 3.21Å; W88-H92 PolarHBondContact O-N 2.87Å
89	E	61.3	Low	57.7	Low	26 Å²	26	84 Å²	84	12%	0.121	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-43.9	-178	-177.1	174.7	-140.5	0	0	112.6	F85 T91 H92 Y93 F100	F85-E89 HydrophobicContact CD1-CB 4.47Å; F85-E89 HydrophobicContact CE1-CB 4.25Å; F85-E89 HydrophobicContact CE1-CG 4.48Å; F85-E89 WeakPolarHBondContact CE1-OE2 3.35Å; F85-E89 HydrophobicContact CZ-CB 4.43Å; F85-E89 WeakPolarHBondContact O-CB 3.32Å; F85-E89 PolarHBondContact O-N 2.77Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.42Å; E89-H92 PolarHBondContact O-N 3.08Å; E89-Y93 WeakPolarHBondContact O-CB 2.84Å; E89-Y93 PolarHBondContact O-N 3.25Å; E89-F100 WeakPolarHBondContact CG-O 3.45Å; E89-F100 WeakPolarHBondContact OE1-CA 3.35Å; E89-F100 VanDerWaalsContact OE1-CB 3.25Å; E89-F100 WeakPolarHBondContact OE1-CB 3.36Å; E89-F100 PolarHBondContact OE1-N 3.35Å; E89-F100 VanDerWaalsContact OE1-N 3.1Å; E89-F100 VanDerWaalsContact OE1-O 3.14Å
90	P	56.4	Low	57.7	Low	10 Å²	10	87.4 Å²	87.4	7%	0.065	43%	0.433	C	S	.	.	H	α-helix	trans	-69.6	-29.4	176.8	-18.8	32.7	0	0	0	112.9	N86 Y93 L94 Y105 Y114 L117	N86-P90 WeakPolarHBondContact O-CD 3.27Å; N86-P90 WeakPolarHBondContact O-CG 3.37Å; P90-Y93 PolarHBondContact O-N 3.04Å; P90-L94 WeakPolarHBondContact O-CB 3.2Å; P90-L94 PolarHBondContact O-N 2.94Å; P90-Y105 HydrophobicContact CG-CD2 3.78Å; P90-Y105 HydrophobicContact CG-CE2 3.72Å; P90-Y105 HydrophobicContact CG-CG 4.45Å; P90-Y114 HydrophobicContact CB-CD1 4.42Å; P90-Y114 HydrophobicContact CB-CE1 4.01Å; P90-L117 HydrophobicContact CB-CD2 3.77Å; P90-L117 HydrophobicContact CG-CD2 4.22Å
91	T	58.4	Low	57.7	Low	38 Å²	38	87.1 Å²	87.1	23%	0.233	43%	0.429	C	S	.	.	H	α-helix	trans	-66.9	-41.3	173.3	-57.7	0	0	0	0	110.8	Y87 W88 E89 L94 I95 A121	Y87-T91 PolarHBondContact O-OG1 3.49Å; W88-T91 PolarHBondContact O-N 3.21Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.42Å; T91-L94 PolarHBondContact O-N 3.09Å; T91-I95 HydrophobicContact CG2-CD1 3.91Å; T91-I95 WeakPolarHBondContact O-CD1 3.5Å; T91-I95 VanDerWaalsContact O-CG1 3.27Å; T91-I95 WeakPolarHBondContact O-CG1 3.49Å; T91-I95 PolarHBondContact O-N 2.78Å; T91-I95 VanDerWaalsContact O-N 3.16Å; T91-A121 HydrophobicContact CG2-CB 4.33Å
92	H	63.8	Low	57.5	Low	99 Å²	99	84.7 Å²	84.7	46%	0.458	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-43.8	173.7	-173.4	-85.7	0	0	0	111.6	W88 E89 L94 I95 Y96 E98	W88-H92 PolarHBondContact O-N 2.87Å; E89-H92 PolarHBondContact O-N 3.08Å; H92-L94 VanDerWaalsContact C-N 3.28Å; H92-L94 PolarHBondContact O-N 3.21Å; H92-I95 PolarHBondContact O-N 3.16Å; H92-Y96 AromaticContact CD2-CD2 3.53Å; H92-Y96 AromaticContact CD2-CE2 3.86Å; H92-Y96 AromaticContact CE1-CD2 3.84Å; H92-Y96 AromaticContact CG-CD2 3.95Å; H92-Y96 AromaticContact NE2-CD2 3.46Å; H92-Y96 WeakPolarHBondContact NE2-CD2 3.33Å; H92-Y96 AromaticContact NE2-CE2 3.9Å; H92-Y96 AromaticContact NE2-CG 4Å; H92-Y96 WeakPolarHBondContact O-CB 3.46Å; H92-Y96 PolarHBondContact O-N 3.21Å; H92-E98 PolarHBondContact ND1-O 2.95Å
93	Y	60.8	Low	57.5	Low	88 Å²	88	90 Å²	90	35%	0.345	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-40.5	174.8	-175.1	-101.2	0	0	0	111.9	E89 P90 I95 G97	E89-Y93 WeakPolarHBondContact O-CB 2.84Å; E89-Y93 PolarHBondContact O-N 3.25Å; P90-Y93 PolarHBondContact O-N 3.04Å; Y93-I95 PolarHBondContact O-N 3.49Å; Y93-G97 VanDerWaalsContact O-CA 3.24Å; Y93-G97 WeakPolarHBondContact O-CA 3.34Å; Y93-G97 PolarHBondContact O-N 3.41Å
94	L	61.8	Low	57.2	Low	86 Å²	86	90.2 Å²	90.2	45%	0.45	42%	0.423	S	S	.	.	H	α-helix	trans	-71.4	-29	-179.9	-132.6	142	0	0	0	113.4	P90 T91 H92 L118	P90-L94 WeakPolarHBondContact O-CB 3.2Å; P90-L94 PolarHBondContact O-N 2.94Å; T91-L94 PolarHBondContact O-N 3.09Å; H92-L94 VanDerWaalsContact C-N 3.28Å; H92-L94 PolarHBondContact O-N 3.21Å; L94-L118 HydrophobicContact CD1-CD2 3.76Å; L94-L118 HydrophobicContact CD1-CG 4.15Å; L94-L118 HydrophobicContact CD2-CD2 3.42Å; L94-L118 VanDerWaalsContact CD2-CD2 3.42Å; L94-L118 HydrophobicContact CG-CD2 4.24Å
95	I	60.1	Low	56.7	Low	84 Å²	84	87.9 Å²	87.9	43%	0.431	41%	0.408	S	S	.	.	H	α-helix	trans	-88	-37.8	-179.3	-65	168.4	0	0	0	111.8	T91 H92 Y93	T91-I95 HydrophobicContact CG2-CD1 3.91Å; T91-I95 WeakPolarHBondContact O-CD1 3.5Å; T91-I95 VanDerWaalsContact O-CG1 3.27Å; T91-I95 WeakPolarHBondContact O-CG1 3.49Å; T91-I95 PolarHBondContact O-N 2.78Å; T91-I95 VanDerWaalsContact O-N 3.16Å; H92-I95 PolarHBondContact O-N 3.16Å; Y93-I95 PolarHBondContact O-N 3.49Å
96	Y	59.8	Low	56.2	Low	164 Å²	164	83.9 Å²	83.9	64%	0.643	40%	0.395	S	S	*	.	H	α-helix	trans	-111.7	-12.9	-170.8	-67.6	-81.3	0	0	0	114.5	H92 E98	H92-Y96 AromaticContact CD2-CD2 3.53Å; H92-Y96 AromaticContact CD2-CE2 3.86Å; H92-Y96 AromaticContact CE1-CD2 3.84Å; H92-Y96 AromaticContact CG-CD2 3.95Å; H92-Y96 AromaticContact NE2-CD2 3.46Å; H92-Y96 WeakPolarHBondContact NE2-CD2 3.33Å; H92-Y96 AromaticContact NE2-CE2 3.9Å; H92-Y96 AromaticContact NE2-CG 4Å; H92-Y96 WeakPolarHBondContact O-CB 3.46Å; H92-Y96 PolarHBondContact O-N 3.21Å; Y96-E98 PolarHBondContact O-N 3.38Å
97	G	59.8	Low	55.8	Low	47 Å²	47	89.4 Å²	89.4	49%	0.485	43%	0.431	S	S	.	.	S	Bend	trans	76.8	1.2	178.2	0	0	0	0	0	115.4	Y93	Y93-G97 VanDerWaalsContact O-CA 3.24Å; Y93-G97 WeakPolarHBondContact O-CA 3.34Å; Y93-G97 PolarHBondContact O-N 3.41Å
98	E	50.3	Low	55.5	Low	152 Å²	152	89.2 Å²	89.2	71%	0.71	45%	0.445	S	S	*	.			trans	-134.6	130.9	-177.6	-69.4	-72.6	159.2	0	0	109.8	H92 Y96	H92-E98 PolarHBondContact ND1-O 2.95Å; Y96-E98 PolarHBondContact O-N 3.38Å
99	G	54	Low	55.1	Low	34 Å²	34	88.7 Å²	88.7	35%	0.351	44%	0.444	S	S	.	.			trans	163.1	154.6	-175.2	0	0	0	0	0	112.5
100	F	52.9	Low	54.4	Low	177 Å²	177	91.2 Å²	91.2	78%	0.776	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-77.4	135.4	176.8	-68.4	-87	0	0	0	109.6	E89	E89-F100 WeakPolarHBondContact CG-O 3.45Å; E89-F100 WeakPolarHBondContact OE1-CA 3.35Å; E89-F100 VanDerWaalsContact OE1-CB 3.25Å; E89-F100 WeakPolarHBondContact OE1-CB 3.36Å; E89-F100 PolarHBondContact OE1-N 3.35Å; E89-F100 VanDerWaalsContact OE1-N 3.1Å; E89-F100 VanDerWaalsContact OE1-O 3.14Å
101	Q	49.3	Very low	54.2	Low	101 Å²	101	97.6 Å²	97.6	47%	0.472	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-83.8	117.2	173.3	-86.7	-178.8	-4	0	0	109.2
102	T	52.9	Low	54	Low	30 Å²	30	99.1 Å²	99.1	18%	0.184	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-68.6	144.2	164.9	59.1	0	0	0	0	109.8	N86 E104 Y105	N86-T102 WeakPolarHBondContact OD1-CB 3.24Å; N86-T102 PolarHBondContact OD1-OG1 3.24Å; T102-E104 PolarHBondContact O-N 2.98Å; T102-Y105 PolarHBondContact O-N 3.18Å
103	W	54.8	Low	53.6	Low	233 Å²	233	98.9 Å²	98.9	88%	0.883	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.2	-170.8	-58.7	78.5	0	0	0	114.2	Y105	W103-Y105 PolarHBondContact O-N 2.76Å
104	E	54.4	Low	53.2	Low	77 Å²	77	97.9 Å²	97.9	36%	0.36	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-70.8	-18.9	-180	-71.6	175.4	-144.3	0	0	114.1	N86 T102	N86-E104 PolarHBondContact ND2-OE1 3.4Å; N86-E104 PolarHBondContact ND2-OE2 3.33Å; T102-E104 PolarHBondContact O-N 2.98Å
105	Y	47.3	Very low	53.1	Low	7 Å²	7	97 Å²	97	3%	0.027	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-111.1	0.4	-172.6	-87.7	-60.5	0	0	0	112.8	N86 P90 T102 W103 R112 Y114 L117	N86-Y105 WeakPolarHBondContact O-CE2 3.18Å; P90-Y105 HydrophobicContact CG-CD2 3.78Å; P90-Y105 HydrophobicContact CG-CE2 3.72Å; P90-Y105 HydrophobicContact CG-CG 4.45Å; T102-Y105 PolarHBondContact O-N 3.18Å; W103-Y105 PolarHBondContact O-N 2.76Å; Y105-R112 HydrophobicContact CE1-CB 4.17Å; Y105-Y114 VanDerWaalsContact CB-OH 3.24Å; Y105-Y114 WeakPolarHBondContact CB-OH 3.17Å; Y105-Y114 AromaticContact CD1-CD1 3.52Å; Y105-Y114 HydrophobicContact CD1-CD1 3.52Å; Y105-Y114 AromaticContact CD1-CD2 3.75Å; Y105-Y114 HydrophobicContact CD1-CD2 3.75Å; Y105-Y114 AromaticContact CD1-CE1 3.23Å; Y105-Y114 HydrophobicContact CD1-CE1 3.23Å; Y105-Y114 AromaticContact CD1-CE2 3.46Å; Y105-Y114 HydrophobicContact CD1-CE2 3.46Å; Y105-Y114 VanDerWaalsContact CD1-CE2 3.46Å; Y105-Y114 AromaticContact CD1-CG 3.81Å; Y105-Y114 HydrophobicContact CD1-CG 3.81Å; Y105-Y114 AromaticContact CD1-CZ 3.24Å; Y105-Y114 AromaticContact CE1-CD1 3.62Å; Y105-Y114 HydrophobicContact CE1-CD1 3.62Å; Y105-Y114 HydrophobicContact CE1-CD2 4.22Å; Y105-Y114 AromaticContact CE1-CE1 3.8Å; Y105-Y114 HydrophobicContact CE1-CE1 3.8Å; Y105-Y114 HydrophobicContact CE1-CE2 4.36Å; Y105-Y114 AromaticContact CE1-CG 3.9Å; Y105-Y114 HydrophobicContact CE1-CG 3.9Å; Y105-Y114 HydrophobicContact CG-CD1 4.4Å; Y105-Y114 AromaticContact CG-CE1 3.72Å; Y105-Y114 HydrophobicContact CG-CE1 3.72Å; Y105-Y114 HydrophobicContact CG-CE2 4.2Å; Y105-Y114 AromaticContact CG-CZ 3.65Å; Y105-Y114 WeakPolarHBondContact O-CE2 3Å; Y105-Y114 PolarHBondContact O-OH 3.41Å; Y105-L117 WeakPolarHBondContact OH-CD1 3.35Å
106	S	46.3	Very low	52.8	Low	33 Å²	33	99.8 Å²	99.8	23%	0.231	52%	0.52	C	S	.	.	S	Bend	trans	-67.3	138	176	175.5	0	0	0	0	111.2	A108 Y109 A110	S106-A108 PolarHBondContact O-N 2.85Å; S106-Y109 PolarHBondContact O-N 3.49Å; S106-Y109 VanDerWaalsContact O-N 3.12Å; S106-A110 PolarHBondContact O-N 2.87Å
107	P	52.8	Low	52.5	Low	123 Å²	123	92.3 Å²	92.3	80%	0.799	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-9.6	-179.2	25.3	-34.5	0	0	0	114
108	A	51	Low	52.5	Low	72 Å²	72	94 Å²	94	60%	0.595	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.4	176.7	0	0	0	0	0	114.2	S106	S106-A108 PolarHBondContact O-N 2.85Å
109	Y	48.8	Very low	53.2	Low	181 Å²	181	92.8 Å²	92.8	71%	0.71	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	-20	-172.5	-72.3	-79.9	0	0	0	116.4	S106 I111	S106-Y109 PolarHBondContact O-N 3.49Å; S106-Y109 VanDerWaalsContact O-N 3.12Å; Y109-I111 VanDerWaalsContact C-N 3.31Å; Y109-I111 WeakPolarHBondContact O-CG1 3.14Å; Y109-I111 PolarHBondContact O-N 2.98Å
110	A	47.2	Very low	53.4	Low	79 Å²	79	96 Å²	96	65%	0.653	49%	0.492	S	S	*	.			trans	38	44.4	164.5	0	0	0	0	0	117.9	S106	S106-A110 PolarHBondContact O-N 2.87Å
111	I	50.7	Low	53.7	Low	145 Å²	145	88.2 Å²	88.2	74%	0.744	46%	0.46	S	S	*	.			trans	-81.4	-18.2	-179.4	-72	157.5	0	0	0	112.1	Y109	Y109-I111 VanDerWaalsContact C-N 3.31Å; Y109-I111 WeakPolarHBondContact O-CG1 3.14Å; Y109-I111 PolarHBondContact O-N 2.98Å
112	R	54.9	Low	54.2	Low	70 Å²	70	93.4 Å²	93.4	26%	0.264	48%	0.475	S	S	.	.	S	Bend	trans	-126.9	130	169.1	-88.3	-178.7	-171.7	-176.5	-0.3	111.9	E83 Y87 Y105	E83-R112 IonicContact OE1-CZ 3.58Å; E83-R112 IonicContact OE1-NH1 3.6Å; E83-R112 IonicContact OE1-NH2 2.69Å; E83-R112 PolarHBondContact OE1-NH2 2.82Å; Y87-R112 VanDerWaalsContact OH-CZ 3.26Å; Y87-R112 PolarHBondContact OH-NH1 3.28Å; Y105-R112 HydrophobicContact CE1-CB 4.17Å
113	S	56.3	Low	54.9	Low	93 Å²	93	95.7 Å²	95.7	65%	0.65	49%	0.491	S	S	*	.			trans	-82.3	126.1	175.4	51.6	0	0	0	0	112	A115	S113-A115 PolarHBondContact O-N 3.27Å
114	Y	52.7	Low	55.1	Low	68 Å²	68	87 Å²	87	27%	0.267	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.6	175.1	-67.3	-91.6	0	0	0	115.6	P90 Y105 Y116 L117 L118	P90-Y114 HydrophobicContact CB-CD1 4.42Å; P90-Y114 HydrophobicContact CB-CE1 4.01Å; Y105-Y114 VanDerWaalsContact CB-OH 3.24Å; Y105-Y114 WeakPolarHBondContact CB-OH 3.17Å; Y105-Y114 AromaticContact CD1-CD1 3.52Å; Y105-Y114 HydrophobicContact CD1-CD1 3.52Å; Y105-Y114 AromaticContact CD1-CD2 3.75Å; Y105-Y114 HydrophobicContact CD1-CD2 3.75Å; Y105-Y114 AromaticContact CD1-CE1 3.23Å; Y105-Y114 HydrophobicContact CD1-CE1 3.23Å; Y105-Y114 AromaticContact CD1-CE2 3.46Å; Y105-Y114 HydrophobicContact CD1-CE2 3.46Å; Y105-Y114 VanDerWaalsContact CD1-CE2 3.46Å; Y105-Y114 AromaticContact CD1-CG 3.81Å; Y105-Y114 HydrophobicContact CD1-CG 3.81Å; Y105-Y114 AromaticContact CD1-CZ 3.24Å; Y105-Y114 AromaticContact CE1-CD1 3.62Å; Y105-Y114 HydrophobicContact CE1-CD1 3.62Å; Y105-Y114 HydrophobicContact CE1-CD2 4.22Å; Y105-Y114 AromaticContact CE1-CE1 3.8Å; Y105-Y114 HydrophobicContact CE1-CE1 3.8Å; Y105-Y114 HydrophobicContact CE1-CE2 4.36Å; Y105-Y114 AromaticContact CE1-CG 3.9Å; Y105-Y114 HydrophobicContact CE1-CG 3.9Å; Y105-Y114 HydrophobicContact CG-CD1 4.4Å; Y105-Y114 AromaticContact CG-CE1 3.72Å; Y105-Y114 HydrophobicContact CG-CE1 3.72Å; Y105-Y114 HydrophobicContact CG-CE2 4.2Å; Y105-Y114 AromaticContact CG-CZ 3.65Å; Y105-Y114 WeakPolarHBondContact O-CE2 3Å; Y105-Y114 PolarHBondContact O-OH 3.41Å; Y114-Y116 PolarHBondContact O-N 2.94Å; Y114-L117 PolarHBondContact O-N 3.24Å; Y114-L118 PolarHBondContact O-N 3.33Å; Y114-L118 VanDerWaalsContact O-N 3.09Å
115	A	58.2	Low	55.4	Low	66 Å²	66	85.7 Å²	85.7	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-56.7	-35.4	-177.8	0	0	0	0	0	113.1	S113 L119	S113-A115 PolarHBondContact O-N 3.27Å; A115-L119 PolarHBondContact O-N 3.32Å
116	Y	54.7	Low	56.4	Low	144 Å²	144	91.6 Å²	91.6	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-72.2	-36.5	-179.8	-173.7	-100.9	0	0	0	113.1	Y114 H120	Y114-Y116 PolarHBondContact O-N 2.94Å; Y116-H120 AromaticContact CE1-CE1 3.93Å; Y116-H120 AromaticContact CE1-ND1 3.98Å; Y116-H120 AromaticContact CE2-CE1 3.59Å; Y116-H120 AromaticContact CZ-CE1 3.39Å; Y116-H120 AromaticContact CZ-ND1 3.88Å; Y116-H120 PolarHBondContact O-N 2.69Å; Y116-H120 PolarHBondContact O-ND1 2.84Å; Y116-H120 PolarHBondContact OH-CE1 3.35Å
117	L	54.2	Low	57.2	Low	7 Å²	7	95.6 Å²	95.6	4%	0.037	51%	0.512	C	S	.	.	H	α-helix	trans	-72.4	-41.9	178	-71.3	73.7	0	0	0	110.5	Y87 P90 Y105 Y114 L119 H120 A121	Y87-L117 HydrophobicContact CD1-CD1 3.66Å; Y87-L117 HydrophobicContact CD1-CD2 4.37Å; Y87-L117 HydrophobicContact CD1-CG 4.06Å; Y87-L117 HydrophobicContact CE1-CD1 3.99Å; Y87-L117 WeakPolarHBondContact O-CD2 3.24Å; P90-L117 HydrophobicContact CB-CD2 3.77Å; P90-L117 HydrophobicContact CG-CD2 4.22Å; Y105-L117 WeakPolarHBondContact OH-CD1 3.35Å; Y114-L117 PolarHBondContact O-N 3.24Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.17Å; L117-H120 PolarHBondContact O-N 3.13Å; L117-A121 VanDerWaalsContact O-CB 3.24Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 2.99Å
118	L	59.9	Low	57.4	Low	83 Å²	83	92 Å²	92	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-60.9	-37.7	176.8	-77.7	167.4	0	0	0	112.6	L94 Y114 H120 A121 W122	L94-L118 HydrophobicContact CD1-CD2 3.76Å; L94-L118 HydrophobicContact CD1-CG 4.15Å; L94-L118 HydrophobicContact CD2-CD2 3.42Å; L94-L118 VanDerWaalsContact CD2-CD2 3.42Å; L94-L118 HydrophobicContact CG-CD2 4.24Å; Y114-L118 PolarHBondContact O-N 3.33Å; Y114-L118 VanDerWaalsContact O-N 3.09Å; L118-H120 VanDerWaalsContact C-N 3.32Å; L118-H120 PolarHBondContact O-N 3.01Å; L118-A121 PolarHBondContact O-N 3.31Å; L118-W122 PolarHBondContact O-N 3.04Å
119	L	63.2	Low	57.8	Low	125 Å²	125	98.4 Å²	98.4	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-64.7	-36.2	177.5	-165.5	109.7	0	0	0	112.2	A115 L117 P123	A115-L119 PolarHBondContact O-N 3.32Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.17Å; L119-P123 WeakPolarHBondContact O-CD 3.41Å
120	H	59.2	Low	58.4	Low	102 Å²	102	93.5 Å²	93.5	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-85.9	-24.9	176.7	-74.1	83.3	0	0	0	113.4	Y116 L117 L118 W122 P123	Y116-H120 AromaticContact CE1-CE1 3.93Å; Y116-H120 AromaticContact CE1-ND1 3.98Å; Y116-H120 AromaticContact CE2-CE1 3.59Å; Y116-H120 AromaticContact CZ-CE1 3.39Å; Y116-H120 AromaticContact CZ-ND1 3.88Å; Y116-H120 PolarHBondContact O-N 2.69Å; Y116-H120 PolarHBondContact O-ND1 2.84Å; Y116-H120 PolarHBondContact OH-CE1 3.35Å; L117-H120 PolarHBondContact O-N 3.13Å; L118-H120 VanDerWaalsContact C-N 3.32Å; L118-H120 PolarHBondContact O-N 3.01Å; H120-W122 VanDerWaalsContact C-N 3.32Å; H120-P123 WeakPolarHBondContact O-CD 3.49Å
121	A	58.6	Low	58.8	Low	14 Å²	14	94.6 Å²	94.6	12%	0.116	48%	0.481	C	S	.	.	H	α-helix	trans	-71.1	-27.7	175.9	0	0	0	0	0	112.1	T91 L117 L118 A124 A125	T91-A121 HydrophobicContact CG2-CB 4.33Å; L117-A121 VanDerWaalsContact O-CB 3.24Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 2.99Å; L118-A121 PolarHBondContact O-N 3.31Å; A121-A124 PolarHBondContact O-N 3.39Å; A121-A125 VanDerWaalsContact O-CB 3.23Å; A121-A125 WeakPolarHBondContact O-CB 3.24Å; A121-A125 PolarHBondContact O-N 3.33Å
122	W	60.6	Low	58.9	Low	209 Å²	209	94.6 Å²	94.6	79%	0.792	48%	0.478	S	S	*	.	H	α-helix	trans	-64.4	-48.7	179.4	-172.3	-71.1	0	0	0	113.1	L118 H120 A124 F126	L118-W122 PolarHBondContact O-N 3.04Å; H120-W122 VanDerWaalsContact C-N 3.32Å; W122-A124 VanDerWaalsContact C-N 3.34Å; W122-A124 PolarHBondContact O-N 3.12Å; W122-F126 WeakPolarHBondContact O-CB 3.45Å; W122-F126 PolarHBondContact O-N 3.2Å
123	P	66.6	Low	58.5	Low	78 Å²	78	96.6 Å²	96.6	51%	0.506	50%	0.498	S	S	.	.	H	α-helix	trans	-59.6	-40.3	170.6	-24.1	31.6	0	0	0	113.5	L119 H120 F126 H127	L119-P123 WeakPolarHBondContact O-CD 3.41Å; H120-P123 WeakPolarHBondContact O-CD 3.49Å; P123-F126 PolarHBondContact O-N 3.44Å; P123-H127 WeakPolarHBondContact O-CB 3.22Å; P123-H127 PolarHBondContact O-N 3.3Å
124	A	60.4	Low	58.1	Low	52 Å²	52	98.3 Å²	98.3	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-67.2	-45	-179.2	0	0	0	0	0	112.2	A121 W122 F126 H127 A128	A121-A124 PolarHBondContact O-N 3.39Å; W122-A124 VanDerWaalsContact C-N 3.34Å; W122-A124 PolarHBondContact O-N 3.12Å; A124-F126 VanDerWaalsContact C-N 3.35Å; A124-H127 PolarHBondContact O-N 3.45Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 2.85Å
125	A	60.9	Low	57.8	Low	49 Å²	49	105.1 Å²	105.1	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-66.2	-37.3	175.3	0	0	0	0	0	111.7	A121 R129	A121-A125 VanDerWaalsContact O-CB 3.23Å; A121-A125 WeakPolarHBondContact O-CB 3.24Å; A121-A125 PolarHBondContact O-N 3.33Å; A125-R129 WeakPolarHBondContact O-CB 3.38Å; A125-R129 PolarHBondContact O-N 2.85Å
126	F	67.5	Low	57.4	Low	130 Å²	130	105 Å²	105	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-64.7	-42.6	173.9	-174.4	-110	0	0	0	111.6	W122 P123 A124 R129 I130	W122-F126 WeakPolarHBondContact O-CB 3.45Å; W122-F126 PolarHBondContact O-N 3.2Å; P123-F126 PolarHBondContact O-N 3.44Å; A124-F126 VanDerWaalsContact C-N 3.35Å; F126-R129 PolarHBondContact O-N 3.37Å; F126-I130 HydrophobicContact CD1-CD1 3.57Å; F126-I130 HydrophobicContact CD2-CD1 4.17Å; F126-I130 HydrophobicContact CE1-CD1 3.21Å; F126-I130 HydrophobicContact CE2-CD1 3.86Å; F126-I130 HydrophobicContact CG-CD1 4.05Å; F126-I130 HydrophobicContact CZ-CD1 3.39Å; F126-I130 WeakPolarHBondContact O-CB 3.36Å; F126-I130 VanDerWaalsContact O-CG1 3.29Å; F126-I130 WeakPolarHBondContact O-CG1 3.27Å; F126-I130 PolarHBondContact O-N 2.86Å
127	H	62.1	Low	56.8	Low	118 Å²	118	104 Å²	104	55%	0.546	55%	0.549	S	S	.	.	H	α-helix	trans	-68.3	-43.3	178.7	-147.8	59.1	0	0	0	112.3	P123 A124 R129 I130 L131	P123-H127 WeakPolarHBondContact O-CB 3.22Å; P123-H127 PolarHBondContact O-N 3.3Å; A124-H127 PolarHBondContact O-N 3.45Å; H127-R129 VanDerWaalsContact C-N 3.33Å; H127-R129 PolarHBondContact O-N 2.86Å; H127-I130 PolarHBondContact O-N 3.34Å; H127-L131 WeakPolarHBondContact O-CB 3.25Å; H127-L131 WeakPolarHBondContact O-CG 3.39Å; H127-L131 PolarHBondContact O-N 2.95Å
128	A	58.8	Low	56.3	Low	48 Å²	48	108.4 Å²	108.4	40%	0.397	58%	0.575	S	S	.	*	H	α-helix	trans	-62.1	-40	175	0	0	0	0	0	112	A124 Q132	A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 2.85Å; A128-Q132 WeakPolarHBondContact O-CB 3.44Å; A128-Q132 VanDerWaalsContact O-CG 3.25Å; A128-Q132 WeakPolarHBondContact O-CG 3.02Å; A128-Q132 PolarHBondContact O-N 3.11Å; A128-Q132 VanDerWaalsContact O-N 3.14Å
129	R	58.8	Low	55.3	Low	205 Å²	205	111.4 Å²	111.4	77%	0.774	59%	0.587	S	S	*	*	H	α-helix	trans	-72.9	-29.4	179.3	-157.4	170.8	-165.5	175.5	3.9	113	A125 F126 H127	A125-R129 WeakPolarHBondContact O-CB 3.38Å; A125-R129 PolarHBondContact O-N 2.85Å; F126-R129 PolarHBondContact O-N 3.37Å; H127-R129 VanDerWaalsContact C-N 3.33Å; H127-R129 PolarHBondContact O-N 2.86Å
130	I	61.2	Low	54.4	Low	79 Å²	79	111.4 Å²	111.4	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-73.7	-44.6	173.2	-76.2	170.2	0	0	0	111.2	F126 H127 Q132 T133	F126-I130 HydrophobicContact CD1-CD1 3.57Å; F126-I130 HydrophobicContact CD2-CD1 4.17Å; F126-I130 HydrophobicContact CE1-CD1 3.21Å; F126-I130 HydrophobicContact CE2-CD1 3.86Å; F126-I130 HydrophobicContact CG-CD1 4.05Å; F126-I130 HydrophobicContact CZ-CD1 3.39Å; F126-I130 WeakPolarHBondContact O-CB 3.36Å; F126-I130 VanDerWaalsContact O-CG1 3.29Å; F126-I130 WeakPolarHBondContact O-CG1 3.27Å; F126-I130 PolarHBondContact O-N 2.86Å; H127-I130 PolarHBondContact O-N 3.34Å; I130-Q132 PolarHBondContact O-N 3.36Å; I130-T133 PolarHBondContact O-N 3.45Å; I130-T133 PolarHBondContact O-OG1 3.12Å
131	L	56.4	Low	53.6	Low	102 Å²	102	112.3 Å²	112.3	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-71.8	-26.2	-177.4	-71	166.8	0	0	0	113.5	H127 T133 N134	H127-L131 WeakPolarHBondContact O-CB 3.25Å; H127-L131 WeakPolarHBondContact O-CG 3.39Å; H127-L131 PolarHBondContact O-N 2.95Å; L131-T133 PolarHBondContact O-N 3.29Å; L131-T133 VanDerWaalsContact O-N 3.14Å; L131-N134 PolarHBondContact O-N 3.36Å
132	Q	52.6	Low	52.4	Low	144 Å²	144	122.2 Å²	122.2	67%	0.673	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-6.4	175.3	-78	177.4	4.4	0	0	114.9	A128 I130	A128-Q132 WeakPolarHBondContact O-CB 3.44Å; A128-Q132 VanDerWaalsContact O-CG 3.25Å; A128-Q132 WeakPolarHBondContact O-CG 3.02Å; A128-Q132 PolarHBondContact O-N 3.11Å; A128-Q132 VanDerWaalsContact O-N 3.14Å; I130-Q132 PolarHBondContact O-N 3.36Å
133	T	45.6	Very low	51.2	Low	113 Å²	113	118.7 Å²	118.7	69%	0.693	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-14.7	176.9	57.4	0	0	0	0	114.1	I130 L131	I130-T133 PolarHBondContact O-N 3.45Å; I130-T133 PolarHBondContact O-OG1 3.12Å; L131-T133 PolarHBondContact O-N 3.29Å; L131-T133 VanDerWaalsContact O-N 3.14Å
134	N	48.3	Very low	49.8	Very low	128 Å²	128	119.5 Å²	119.5	68%	0.684	65%	0.646	S	S	*	*			trans	-115.6	79.4	176.8	-104.4	-68	0	0	0	110.8	L131 G136	L131-N134 PolarHBondContact O-N 3.36Å; N134-G136 PolarHBondContact O-N 3.18Å
135	K	46.3	Very low	48.9	Very low	212 Å²	212	128.1 Å²	128.1	92%	0.922	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	18.5	174.3	-86.1	-172.8	166.2	75.6	0	115.4
136	G	50.5	Low	48.1	Very low	62 Å²	62	133.7 Å²	133.7	64%	0.639	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-26.7	-172.4	0	0	0	0	0	116.3	N134	N134-G136 PolarHBondContact O-N 3.18Å
137	C	41.4	Very low	47.1	Very low	124 Å²	124	132.2 Å²	132.2	84%	0.838	69%	0.69	S	S	*	*			trans	-150.7	81.2	-168.5	-55.8	0	0	0	0	111.2
138	V	44.4	Very low	46.1	Very low	99 Å²	99	133.2 Å²	133.2	60%	0.6	70%	0.7	S	S	*	*			trans	-128.1	112	163.5	-177.6	0	0	0	0	108.1	E140	V138-E140 PolarHBondContact O-N 2.93Å
139	Q	37.8	Very low	45.5	Very low	147 Å²	147	138.6 Å²	138.6	69%	0.687	72%	0.722	S	S	*	*			trans	-78.8	100	170.7	-174.4	76	59	0	0	107.1	V141	Q139-V141 PolarHBondContact O-N 3.04Å
140	E	44.6	Very low	44.7	Very low	124 Å²	124	132.7 Å²	132.7	58%	0.579	72%	0.717	S	S	*	*			trans	-66.8	115.7	168.5	-57.8	-67	155.7	0	0	107.9	V138	V138-E140 PolarHBondContact O-N 2.93Å
141	V	41.4	Very low	43.9	Very low	121 Å²	121	133.9 Å²	133.9	73%	0.733	73%	0.733	S	S	*	*			trans	-93.1	105.7	170.4	170.6	0	0	0	0	107.4	Q139 V143	Q139-V141 PolarHBondContact O-N 3.04Å; V141-V143 HydrophobicContact CG1-CG2 4.5Å
142	W	34.3	Very low	43.1	Very low	223 Å²	223	136.6 Å²	136.6	85%	0.845	75%	0.746	S	S	*	*			trans	-94.3	119.7	170.8	-70.7	92.1	0	0	0	109.5
143	V	35.4	Very low	42.5	Very low	134 Å²	134	137.5 Å²	137.5	81%	0.812	76%	0.755	S	S	*	*			trans	-92.5	104.1	167.3	173	0	0	0	0	107.6	V141	V141-V143 HydrophobicContact CG1-CG2 4.5Å
144	A	38.1	Very low	42.3	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	76%	0.76	S	S	*	*			trans	-85.9	125	170.2	0	0	0	0	0	109.7
145	R	40.8	Very low	41.7	Very low	233 Å²	233	134.8 Å²	134.8	88%	0.879	76%	0.763	S	S	*	*			trans	-98.9	103.2	173.6	-179.9	176.1	170.6	112	-2.6	108.5	S147	R145-S147 PolarHBondContact O-N 3Å
146	E	44.3	Very low	41.3	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	75%	0.754	S	S	*	*			trans	-72.6	109.8	173.8	-167.6	90.6	-154.3	0	0	109
147	S	46.2	Very low	40.8	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	76%	0.758	S	S	*	*			trans	-85.2	112.2	168.4	67.2	0	0	0	0	109	R145	R145-S147 PolarHBondContact O-N 3Å
148	N	40	Very low	40.6	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	76%	0.755	S	S	*	*			trans	-121.9	97.8	161.7	-95	-36.7	0	0	0	108.9	A150	N148-A150 PolarHBondContact O-N 2.69Å
149	D	48.1	Very low	40.5	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	76%	0.762	S	S	*	*			trans	-67.4	116.9	162.2	-72.5	-41.7	0	0	0	108.7
150	A	40	Very low	40.7	Very low	82 Å²	82	142.5 Å²	142.5	68%	0.678	77%	0.766	S	S	*	*			trans	175.9	106.7	137.1	0	0	0	0	0	109.7	N148	N148-A150 PolarHBondContact O-N 2.69Å
151	S	45.6	Very low	40.7	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	78%	0.775	S	S	*	*			trans	37.7	106.1	135	55.6	0	0	0	0	117.7
152	L	39.2	Very low	40.7	Very low	158 Å²	158	144.2 Å²	144.2	83%	0.827	77%	0.774	S	S	*	*				166.3	123.6	124.7	-85	160.3	0	0	0	110.9
153	L	39.9	Very low	41.1	Very low	163 Å²	163	140.2 Å²	140.2	85%	0.853	77%	0.767	S	S	*	*			trans	41.1	97.2	151.3	-74.7	152.6	0	0	0	118.7	S155	L153-S155 PolarHBondContact O-N 2.9Å
154	G	42.3	Very low	41.3	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	76%	0.759	S	S	*	*	S	Bend		58	61.3	124.8	0	0	0	0	0	118.5
155	S	36	Very low	41.6	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	75%	0.751	S	S	*	*			trans	-168.6	108.4	149.5	-89	0	0	0	0	110	L153 H157	L153-S155 PolarHBondContact O-N 2.9Å; S155-H157 VanDerWaalsContact C-N 3.3Å; S155-H157 PolarHBondContact O-N 3.12Å
156	Q	36.6	Very low	41.4	Very low	157 Å²	157	135.1 Å²	135.1	73%	0.734	74%	0.744	S	S	*	*			trans	-78.6	74.7	-178.6	-57.8	-69.4	47	0	0	110.5	W158	Q156-W158 PolarHBondContact O-N 3.41Å
157	H	39.8	Very low	41.3	Very low	154 Å²	154	132.7 Å²	132.7	71%	0.713	74%	0.742	S	S	*	*			trans	-89.5	97.9	172.6	-121.5	-97.5	0	0	0	109.7	S155 H159	S155-H157 VanDerWaalsContact C-N 3.3Å; S155-H157 PolarHBondContact O-N 3.12Å; H157-H159 AromaticContact ND1-CD2 3.91Å; H157-H159 AromaticContact ND1-NE2 3.22Å; H157-H159 PolarHBondContact ND1-NE2 3.45Å; H157-H159 PolarHBondContact O-N 3.1Å
158	W	38.5	Very low	41	Very low	206 Å²	206	137 Å²	137	78%	0.78	77%	0.772	S	S	*	*			trans	-83.7	100.3	179.1	-60.1	97.3	0	0	0	110.5	Q156	Q156-W158 PolarHBondContact O-N 3.41Å
159	H	41.3	Very low	41	Very low	161 Å²	161	136.9 Å²	136.9	75%	0.745	77%	0.774	S	S	*	*			trans	-91.5	102.5	169.6	-76.5	-89.2	0	0	0	109.7	H157 L161	H157-H159 AromaticContact ND1-CD2 3.91Å; H157-H159 AromaticContact ND1-NE2 3.22Å; H157-H159 PolarHBondContact ND1-NE2 3.45Å; H157-H159 PolarHBondContact O-N 3.1Å; H159-L161 PolarHBondContact O-N 3.47Å
160	V	42.1	Very low	40.6	Very low	128 Å²	128	135.6 Å²	135.6	78%	0.776	77%	0.769	S	S	*	*			trans	-84.5	103	167.2	-179.2	0	0	0	0	107.3	L162	V160-L162 PolarHBondContact O-N 3.38Å
161	L	45.2	Very low	40.7	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	77%	0.774	S	S	*	*			trans	-86.4	104.8	174.3	-170.2	70.2	0	0	0	109	H159 I163	H159-L161 PolarHBondContact O-N 3.47Å; L161-I163 HydrophobicContact CD2-CD1 4.05Å; L161-I163 HydrophobicContact CD2-CG1 4.06Å; L161-I163 HydrophobicContact CG-CG1 4.06Å; L161-I163 PolarHBondContact O-N 2.96Å
162	L	40.3	Very low	40.4	Very low	134 Å²	134	140.6 Å²	140.6	70%	0.702	78%	0.777	S	S	*	*			trans	-88.5	92.9	179	-148.7	146.2	0	0	0	108.5	V160 I164	V160-L162 PolarHBondContact O-N 3.38Å; L162-I164 HydrophobicContact CD2-CD1 4.07Å; L162-I164 HydrophobicContact CD2-CG1 3.53Å; L162-I164 PolarHBondContact O-N 3.22Å
163	I	44.2	Very low	40.4	Very low	139 Å²	139	139.5 Å²	139.5	71%	0.713	77%	0.774	S	S	*	*			trans	-81.8	99.9	175.3	-57.8	-179.2	0	0	0	108.1	L161 S165	L161-I163 HydrophobicContact CD2-CD1 4.05Å; L161-I163 HydrophobicContact CD2-CG1 4.06Å; L161-I163 HydrophobicContact CG-CG1 4.06Å; L161-I163 PolarHBondContact O-N 2.96Å; I163-S165 PolarHBondContact O-N 3.3Å
164	I	39.2	Very low	40.5	Very low	124 Å²	124	137.9 Å²	137.9	64%	0.636	77%	0.769	S	S	*	*			trans	-78.7	99.1	169.2	-57	175.5	0	0	0	106.9	L162 I166	L162-I164 HydrophobicContact CD2-CD1 4.07Å; L162-I164 HydrophobicContact CD2-CG1 3.53Å; L162-I164 PolarHBondContact O-N 3.22Å; I164-I166 HydrophobicContact CG2-CG1 4.25Å; I164-I166 PolarHBondContact O-N 3.45Å
165	S	43.9	Very low	40.4	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	77%	0.766	S	S	*	*			trans	-77.3	106.3	170.3	-158.9	0	0	0	0	108.6	I163	I163-S165 PolarHBondContact O-N 3.3Å
166	I	36.7	Very low	40.7	Very low	143 Å²	143	145 Å²	145	73%	0.733	77%	0.768	S	S	*	*			trans	-81.4	118.4	169.5	-59.2	171	0	0	0	106.2	I164 S168	I164-I166 HydrophobicContact CG2-CG1 4.25Å; I164-I166 PolarHBondContact O-N 3.45Å; I166-S168 PolarHBondContact O-N 3.4Å
167	P	42.2	Very low	41	Very low	114 Å²	114	144 Å²	144	74%	0.74	77%	0.771	S	S	*	*			trans	-69	130.6	175.5	27.5	-30.6	0	0	0	109.4
168	S	39.1	Very low	41.1	Very low	188 Å²	188	143.1 Å²	143.1	100%	1.315	78%	0.776	S	S	*	*			trans	-75.2	0	170.3	-172.8	0	0	0	0	112.1	I166	I166-S168 PolarHBondContact O-N 3.4Å

Retrieved 168 of 168 residues in 79.6 ms (Link to these results)

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