A0A087XH70_POEFO Loading...

Nuclear transcription factor Y subunit beta

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession A0A087XH70, Species POEFO (Poecilia formosa, Amazon molly), Gene NFYB, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	43.7	Very low	224 Å²	224	123.7 Å²	123.7	100%	1.103	77%	0.77	S	S	*	*				0	80.9	0	-71.8	-177.6	170.8	0	0	105.6
2	D	42.9	Very low	43.5	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	78%	0.781	S	S	*	*				110.3	117.1	90.8	-65	-44.9	0	0	0	104.4
3	G	45.9	Very low	43.3	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	80%	0.795	S	S	*	*				69.3	121.7	77.6	0	0	0	0	0	108.5
4	D	44.9	Very low	42.6	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	78%	0.784	S	S	*	*			cis	-175.8	159.5	33.3	-165.1	8.6	0	0	0	109
5	S	45.8	Very low	42.4	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	80%	0.795	S	S	*	*			trans	25.9	155.1	141.9	-67.5	0	0	0	0	121.6
6	S	43.2	Very low	42.2	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	80%	0.797	S	S	*	*			cis	171	139.8	-0.7	164.3	0	0	0	0	103.1
7	T	49.1	Very low	42	Very low	138 Å²	138	129.2 Å²	129.2	85%	0.847	79%	0.791	S	S	*	*				-172.3	122.4	129	50.8	0	0	0	0	109.7
8	T	47.2	Very low	41.8	Very low	128 Å²	128	132.3 Å²	132.3	79%	0.785	80%	0.795	S	S	*	*			trans	-53.4	137.8	166.7	3.5	0	0	0	0	113.5
9	D	36.2	Very low	41.8	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	80%	0.797	S	S	*	*			trans	-128.2	124.3	130.9	-175	45.6	0	0	0	108.8	S11	D9-S11 PolarHBondContact OD2-OG 2.86Å
10	A	43.8	Very low	42.1	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	80%	0.799	S	S	*	*			trans	-112.1	92.8	-176.2	0	0	0	0	0	107
11	S	42.9	Very low	41.9	Very low	81 Å²	81	135.5 Å²	135.5	57%	0.566	79%	0.793	S	S	*	*			trans	-149.3	47.4	173.5	57.6	0	0	0	0	111.2	D9	D9-S11 PolarHBondContact OD2-OG 2.86Å
12	Q	41.6	Very low	41.8	Very low	194 Å²	194	129.9 Å²	129.9	91%	0.907	78%	0.776	S	S	*	*			trans	-169.5	66.8	160.6	-107.8	166.6	98.7	0	0	111.7
13	L	41.4	Very low	41.5	Very low	183 Å²	183	128.1 Å²	128.1	96%	0.958	78%	0.775	S	S	*	*			trans	-123.2	123.3	161	-84.6	169.5	0	0	0	108.3
14	G	33.6	Very low	40.9	Very low	62 Å²	62	132.1 Å²	132.1	64%	0.639	77%	0.773	S	S	*	*			trans	171.4	41.5	174.9	0	0	0	0	0	115
15	M	39.6	Very low	40.5	Very low	194 Å²	194	134.3 Å²	134.3	96%	0.956	77%	0.772	S	S	*	*			trans	-127.5	70.5	158	-64.7	-63.2	-83.6	0	0	107.7
16	T	39.4	Very low	40.3	Very low	136 Å²	136	135.7 Å²	135.7	83%	0.834	78%	0.776	S	S	*	*			trans	-67.9	141.7	161.1	43.9	0	0	0	0	108.8
17	G	37.6	Very low	39.9	Very low	66 Å²	66	139 Å²	139	68%	0.68	79%	0.785	S	S	*	*			trans	-61.8	151.3	-173.2	0	0	0	0	0	114.6
18	E	39.1	Very low	39.5	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	78%	0.781	S	S	*	*			trans	-172.9	73.9	157.6	-106.2	169.1	166.7	0	0	106.2
19	Y	42.2	Very low	39.3	Very low	212 Å²	212	139.5 Å²	139.5	83%	0.831	78%	0.778	S	S	*	*			trans	-103.4	16.5	170.8	70.1	-94	0	0	0	112.7
20	M	46.9	Very low	39.4	Very low	171 Å²	171	141 Å²	141	84%	0.842	78%	0.78	S	S	*	*	S	Bend	trans	-134.4	77.6	169.3	-72.3	-150.9	167.6	0	0	110.4
21	A	39.3	Very low	39.2	Very low	81 Å²	81	144.3 Å²	144.3	67%	0.669	79%	0.786	S	S	*	*	S	Bend	trans	-163.2	130.8	157.5	0	0	0	0	0	110.4
22	S	35.8	Very low	39.2	Very low	107 Å²	107	147.6 Å²	147.6	75%	0.748	80%	0.797	S	S	*	*			trans	68.8	84.7	162.3	-69.9	0	0	0	0	118.3	H24	S22-H24 PolarHBondContact O-N 2.82Å
23	S	35.4	Very low	39.3	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	79%	0.792	S	S	*	*			trans	-61.3	85.7	137.6	-69	0	0	0	0	108.4	Y25	S23-Y25 PolarHBondContact O-N 3.46Å
24	H	34.4	Very low	39.3	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.736	78%	0.783	S	S	*	*			trans	-79.9	97.4	172	-168.9	-77.1	0	0	0	107.8	S22 V26	S22-H24 PolarHBondContact O-N 2.82Å; H24-V26 PolarHBondContact O-N 3.14Å
25	Y	35.3	Very low	39.8	Very low	195 Å²	195	146.7 Å²	146.7	77%	0.765	80%	0.796	S	S	*	*			trans	-58.7	123.7	173.2	-67.2	-90.4	0	0	0	109.6	S23 L27	S23-Y25 PolarHBondContact O-N 3.46Å; Y25-L27 PolarHBondContact O-N 3.49Å
26	V	41.9	Very low	40	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	79%	0.789	S	S	*	*			trans	-81.1	107.9	171	179.2	0	0	0	0	107.3	H24 H28	H24-V26 PolarHBondContact O-N 3.14Å; V26-H28 PolarHBondContact O-N 3.21Å
27	L	36.2	Very low	40.3	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.3	171.4	-70.7	166.6	0	0	0	109.5	Y25	Y25-L27 PolarHBondContact O-N 3.49Å
28	H	40.5	Very low	40.9	Very low	166 Å²	166	150.6 Å²	150.6	77%	0.769	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-102.1	118.1	165.7	-150.2	-96.5	0	0	0	107.1	V26	V26-H28 PolarHBondContact O-N 3.21Å
29	P	42.5	Very low	41.2	Very low	109 Å²	109	148.3 Å²	148.3	71%	0.708	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-91	122.7	176.7	32.4	-25.7	0	0	0	109.1
30	Q	38.1	Very low	41	Very low	172 Å²	172	144.9 Å²	144.9	80%	0.804	78%	0.782	S	S	*	*			trans	-160.2	124.8	150.2	-113.7	161.9	-5.4	0	0	110.2
31	D	38.9	Very low	41	Very low	155 Å²	155	145 Å²	145	83%	0.829	78%	0.78	S	S	*	*			trans	-63.6	133.7	-171	-44.8	-75.2	0	0	0	112.3
32	D	43.8	Very low	41.6	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	79%	0.787	S	S	*	*			trans	-164.8	150.6	148.7	-158.4	38.3	0	0	0	110.1
33	D	44.3	Very low	42.2	Very low	147 Å²	147	149 Å²	149	79%	0.786	78%	0.776	S	S	*	*			trans	-98.6	132	-147.7	-29.9	-51	0	0	0	111.6
34	G	39.5	Very low	43	Very low	75 Å²	75	148.7 Å²	148.7	77%	0.773	77%	0.774	S	S	*	*			trans	178.1	88.7	175.2	0	0	0	0	0	114.1	E36	G34-E36 PolarHBondContact O-N 2.9Å
35	E	45.5	Very low	43.8	Very low	198 Å²	198	144.1 Å²	144.1	93%	0.925	77%	0.77	S	S	*	*			trans	-69.2	103.8	168.3	-62.5	-175	171.7	0	0	110.4
36	E	43.9	Very low	44.5	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	76%	0.756	S	S	*	*			trans	-120.7	100.8	159.5	-72.5	-161.3	175.2	0	0	110.2	G34 M38	G34-E36 PolarHBondContact O-N 2.9Å; E36-M38 PolarHBondContact O-N 3.37Å
37	N	46.1	Very low	44.9	Very low	142 Å²	142	138.8 Å²	138.8	76%	0.759	75%	0.746	S	S	*	*			trans	-67.1	90.3	171.9	-173.4	56.7	0	0	0	110	N39	N37-N39 PolarHBondContact O-N 3.42Å
38	M	50.3	Low	45.8	Very low	167 Å²	167	137.6 Å²	137.6	82%	0.823	74%	0.736	S	S	*	*			trans	-85.4	103.4	166.8	-81.5	-157.1	178.7	0	0	109.9	E36 D40	E36-M38 PolarHBondContact O-N 3.37Å; M38-D40 PolarHBondContact O-N 2.81Å; M38-D40 VanDerWaalsContact O-N 3.12Å
39	N	43.8	Very low	46.3	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	73%	0.729	S	S	*	*			trans	-54.5	110.9	162.4	-81.9	-35.8	0	0	0	109.4	N37 H41	N37-N39 PolarHBondContact O-N 3.42Å; N39-H41 PolarHBondContact O-N 3.45Å; N39-H41 VanDerWaalsContact O-N 3.17Å
40	D	37.5	Very low	46.6	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	73%	0.726	S	S	*	*			trans	-69.5	103.5	164.8	-169.2	42.9	0	0	0	108.1	M38 E42	M38-D40 PolarHBondContact O-N 2.81Å; M38-D40 VanDerWaalsContact O-N 3.12Å; D40-E42 PolarHBondContact O-N 3.47Å
41	H	48.5	Very low	47.8	Very low	173 Å²	173	137.4 Å²	137.4	80%	0.801	72%	0.717	S	S	*	*			trans	-95.5	86.6	173.9	-132.2	-23.4	0	0	0	107.5	N39 D43	N39-H41 PolarHBondContact O-N 3.45Å; N39-H41 VanDerWaalsContact O-N 3.17Å; H41-D43 VanDerWaalsContact C-N 3.28Å; H41-D43 PolarHBondContact O-N 3.1Å
42	E	50.4	Low	48.8	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	70%	0.7	S	S	*	*			trans	-65.4	89.3	162	-72.3	-163.5	145.3	0	0	109.1	D40	D40-E42 PolarHBondContact O-N 3.47Å
43	D	50.3	Low	49.7	Very low	97 Å²	97	135.1 Å²	135.1	52%	0.519	70%	0.697	S	S	.	*			trans	-126.8	75.1	161.4	-177.7	44	0	0	0	109.6	H41	H41-D43 VanDerWaalsContact C-N 3.28Å; H41-D43 PolarHBondContact O-N 3.1Å
44	S	51.2	Low	51.1	Low	103 Å²	103	134.9 Å²	134.9	72%	0.72	70%	0.695	S	S	*	*			trans	-139.9	44.1	170.5	-166.5	0	0	0	0	111.8
45	G	51.2	Low	53.4	Low	63 Å²	63	136.3 Å²	136.3	65%	0.649	68%	0.684	S	S	*	*	S	Bend	trans	-108.4	-15	169.9	0	0	0	0	0	114.2
46	T	49.7	Very low	55.7	Low	78 Å²	78	130.9 Å²	130.9	48%	0.479	66%	0.656	S	S	.	*	S	Bend	trans	-109.7	-15.2	-165.9	-32.9	0	0	0	0	113.5	Y50	T46-Y50 HydrophobicContact CG2-CE2 3.94Å; T46-Y50 WeakPolarHBondContact O-CD2 3.46Å
47	K	51.4	Low	58.1	Low	134 Å²	134	126.3 Å²	126.3	58%	0.583	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-18	-176.5	-74.3	179.3	-177.9	161.1	0	114.8
48	E	53.7	Low	60.4	Low	138 Å²	138	123.4 Å²	123.4	65%	0.645	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-41.1	-176.3	-63.2	-116.7	130	0	0	111.7	Y50 R51	E48-Y50 PolarHBondContact O-N 2.81Å; E48-R51 PolarHBondContact O-N 3.07Å
49	N	51.1	Low	62.6	Low	114 Å²	114	118.7 Å²	118.7	61%	0.61	60%	0.603	S	S	*	*	H	α-helix	trans	-69	-29.4	-175.4	-104.9	-48.8	0	0	0	114.6	R51	N49-R51 VanDerWaalsContact C-N 3.27Å; N49-R51 PolarHBondContact O-N 3.35Å
50	Y	49.7	Very low	65.1	Low	165 Å²	165	115.1 Å²	115.1	65%	0.647	59%	0.592	S	S	*	*	H	α-helix	trans	-73.6	-21.2	177.2	-69.5	-71.6	0	0	0	112.6	T46 E48	T46-Y50 HydrophobicContact CG2-CE2 3.94Å; T46-Y50 WeakPolarHBondContact O-CD2 3.46Å; E48-Y50 PolarHBondContact O-N 2.81Å
51	R	62.3	Low	67.9	Low	164 Å²	164	112 Å²	112	62%	0.619	58%	0.576	S	S	*	*	H	α-helix	trans	-80.8	-32.2	-179	-68.8	-178.6	173.3	-179.2	-1.8	112.7	E48 N49 Q53 D54 I55	E48-R51 PolarHBondContact O-N 3.07Å; N49-R51 VanDerWaalsContact C-N 3.27Å; N49-R51 PolarHBondContact O-N 3.35Å; R51-Q53 PolarHBondContact O-N 2.85Å; R51-D54 PolarHBondContact O-N 3.13Å; R51-I55 WeakPolarHBondContact O-CD1 3.36Å; R51-I55 VanDerWaalsContact O-CG1 3.24Å; R51-I55 WeakPolarHBondContact O-CG1 3.3Å; R51-I55 PolarHBondContact O-N 2.77Å
52	E	60.6	Low	70.2	Confident	101 Å²	101	104.2 Å²	104.2	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-41.2	-178.7	-68.1	-176.7	177.4	0	0	112	D54 I55 Y56	E52-D54 VanDerWaalsContact C-N 3.29Å; E52-D54 PolarHBondContact O-N 2.66Å; E52-I55 PolarHBondContact O-N 3.34Å; E52-I55 VanDerWaalsContact O-N 3.16Å; E52-Y56 HydrophobicContact CB-CE2 4.4Å; E52-Y56 WeakPolarHBondContact O-CD2 3.46Å; E52-Y56 WeakPolarHBondContact O-CE2 3.38Å; E52-Y56 PolarHBondContact O-N 3.41Å
53	Q	62.6	Low	72.5	Confident	157 Å²	157	96.9 Å²	96.9	73%	0.734	51%	0.509	S	S	*	.	H	α-helix	trans	-67.1	-30.6	176	-67.2	-174.1	12.3	0	0	112.7	R51 I55 Y56	R51-Q53 PolarHBondContact O-N 2.85Å; Q53-I55 VanDerWaalsContact C-N 3.25Å; Q53-I55 PolarHBondContact O-N 2.93Å; Q53-Y56 PolarHBondContact O-N 3.12Å
54	D	74.8	Confident	74.7	Confident	141 Å²	141	99.8 Å²	99.8	75%	0.754	51%	0.513	S	S	*	.	H	α-helix	trans	-70.6	-21.5	175.2	-74	-17.8	0	0	0	112.6	R51 E52	R51-D54 PolarHBondContact O-N 3.13Å; E52-D54 VanDerWaalsContact C-N 3.29Å; E52-D54 PolarHBondContact O-N 2.66Å
55	I	87.2	Confident	76.9	Confident	105 Å²	105	100.8 Å²	100.8	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-82	-24.7	179.2	-66.2	162	0	0	0	111.6	R51 E52 Q53 S89	R51-I55 WeakPolarHBondContact O-CD1 3.36Å; R51-I55 VanDerWaalsContact O-CG1 3.24Å; R51-I55 WeakPolarHBondContact O-CG1 3.3Å; R51-I55 PolarHBondContact O-N 2.77Å; E52-I55 PolarHBondContact O-N 3.34Å; E52-I55 VanDerWaalsContact O-N 3.16Å; Q53-I55 VanDerWaalsContact C-N 3.25Å; Q53-I55 PolarHBondContact O-N 2.93Å; I55-S89 PolarHBondContact O-OG 2.79Å
56	Y	93.8	Very high	79.1	Confident	85 Å²	85	99.4 Å²	99.4	33%	0.333	49%	0.486	S	S	.	.	S	Bend	trans	-95	138.8	-176.4	-60.7	-51	0	0	0	112.9	E52 Q53 Q85 E86	E52-Y56 HydrophobicContact CB-CE2 4.4Å; E52-Y56 WeakPolarHBondContact O-CD2 3.46Å; E52-Y56 WeakPolarHBondContact O-CE2 3.38Å; E52-Y56 PolarHBondContact O-N 3.41Å; Q53-Y56 PolarHBondContact O-N 3.12Å; Y56-Q85 HydrophobicContact CD1-CG 4.27Å; Y56-Q85 HydrophobicContact CG-CG 4.27Å; Y56-E86 HydrophobicContact CE1-CG 4.24Å
57	L	93.7	Very high	81.4	Confident	74 Å²	74	98.1 Å²	98.1	39%	0.387	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-66	148	169.3	-62.9	-178.3	0	0	0	110.3	I59 V62 Q85 V88 I92	L57-I59 PolarHBondContact O-N 2.62Å; L57-I59 VanDerWaalsContact O-N 3.15Å; L57-V62 HydrophobicContact CB-CG2 4.17Å; L57-Q85 PolarHBondContact O-NE2 2.96Å; L57-V88 HydrophobicContact CD1-CG1 3.95Å; L57-V88 HydrophobicContact CD1-CG2 4.08Å; L57-V88 HydrophobicContact CG-CG1 4.47Å; L57-I92 HydrophobicContact CD1-CD1 4.3Å
58	P	94.9	Very high	83.5	Confident	80 Å²	80	97.9 Å²	97.9	52%	0.519	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-53.8	124.1	177	-27.3	34.5	0	0	0	112	A60 N61 V62	P58-A60 PolarHBondContact O-N 2.84Å; P58-N61 WeakPolarHBondContact O-CB 3.42Å; P58-N61 PolarHBondContact O-N 3.47Å; P58-V62 PolarHBondContact O-N 2.91Å
59	I	95.7	Very high	85.5	Confident	69 Å²	69	95.5 Å²	95.5	35%	0.354	48%	0.483	S	S	.	.	H	α-helix	trans	-55.5	-30.1	-175.5	-165.7	64.1	0	0	0	112.8	L57 V62 A63 K81 Q85	L57-I59 PolarHBondContact O-N 2.62Å; L57-I59 VanDerWaalsContact O-N 3.15Å; I59-V62 PolarHBondContact O-N 3.19Å; I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 3.32Å; I59-K81 HydrophobicContact CD1-CB 3.67Å; I59-K81 WeakPolarHBondContact CD1-O 3.31Å; I59-K81 HydrophobicContact CG1-CB 4.26Å; I59-Q85 HydrophobicContact CD1-CB 4Å; I59-Q85 HydrophobicContact CD1-CG 4.4Å
60	A	96.7	Very high	87.7	Confident	62 Å²	62	92.7 Å²	92.7	51%	0.512	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-38.1	176.4	0	0	0	0	0	112.7	P58 R64	P58-A60 PolarHBondContact O-N 2.84Å; A60-R64 WeakPolarHBondContact O-CB 3.22Å; A60-R64 PolarHBondContact O-N 3.45Å
61	N	96.6	Very high	89.9	Confident	75 Å²	75	89.2 Å²	89.2	40%	0.401	47%	0.468	S	S	.	.	H	α-helix	trans	-71	-43.2	177.6	-71.2	-13.7	0	0	0	110.7	P58 R64 I65	P58-N61 WeakPolarHBondContact O-CB 3.42Å; P58-N61 PolarHBondContact O-N 3.47Å; N61-R64 PolarHBondContact O-N 3.5Å; N61-R64 PolarHBondContact OD1-NH1 3.14Å; N61-I65 PolarHBondContact O-N 2.93Å; N61-I65 VanDerWaalsContact O-N 3.15Å
62	V	97.4	Very high	91.4	Very high	9 Å²	9	89.5 Å²	89.5	6%	0.055	48%	0.476	C	S	.	.	H	α-helix	trans	-58.1	-50.6	173.6	178.7	0	0	0	0	110.3	L57 P58 I59 R64 I65 M66 V84 Q85 V88	L57-V62 HydrophobicContact CB-CG2 4.17Å; P58-V62 PolarHBondContact O-N 2.91Å; I59-V62 PolarHBondContact O-N 3.19Å; V62-R64 VanDerWaalsContact C-N 3.31Å; V62-R64 PolarHBondContact O-N 3.42Å; V62-I65 PolarHBondContact O-N 2.94Å; V62-M66 HydrophobicContact CG1-CG 4.22Å; V62-M66 HydrophobicContact CG1-SD 3.81Å; V62-M66 VanDerWaalsContact O-CG 3.32Å; V62-M66 WeakPolarHBondContact O-CG 3.24Å; V62-M66 PolarHBondContact O-N 3.47Å; V62-V84 HydrophobicContact CG1-CB 4.22Å; V62-V84 HydrophobicContact CG1-CG1 3.8Å; V62-Q85 HydrophobicContact CG2-CB 4.39Å; V62-V88 HydrophobicContact CG2-CG1 4.43Å
63	A	97.1	Very high	93	Very high	20 Å²	20	91 Å²	91	17%	0.165	49%	0.492	C	S	.	.	H	α-helix	trans	-59.8	-38.5	180	0	0	0	0	0	112.9	I59 K67 K81	I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 3.32Å; A63-K67 WeakPolarHBondContact O-CB 3.36Å; A63-K67 PolarHBondContact O-N 2.91Å; A63-K81 HydrophobicContact CB-CD 3.99Å; A63-K81 HydrophobicContact CB-CG 4.38Å
64	R	96.9	Very high	94.6	Very high	158 Å²	158	84.7 Å²	84.7	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-63.3	-45.2	176.8	-170.9	-173.3	-65.5	118.3	-2.3	111.4	A60 N61 V62 K67 N68	A60-R64 WeakPolarHBondContact O-CB 3.22Å; A60-R64 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact O-N 3.5Å; N61-R64 PolarHBondContact OD1-NH1 3.14Å; V62-R64 VanDerWaalsContact C-N 3.31Å; V62-R64 PolarHBondContact O-N 3.42Å; R64-K67 WeakPolarHBondContact O-CB 3.28Å; R64-K67 PolarHBondContact O-N 3.33Å; R64-N68 PolarHBondContact O-OD1 2.93Å
65	I	97.2	Very high	95.7	Very high	124 Å²	124	87.8 Å²	87.8	64%	0.636	48%	0.476	S	S	*	.	H	α-helix	trans	-67.1	-46.4	178.8	-66	169.9	0	0	0	110.7	N61 V62 K67 N68	N61-I65 PolarHBondContact O-N 2.93Å; N61-I65 VanDerWaalsContact O-N 3.15Å; V62-I65 PolarHBondContact O-N 2.94Å; I65-K67 PolarHBondContact O-N 2.95Å; I65-N68 WeakPolarHBondContact O-CB 3.4Å; I65-N68 PolarHBondContact O-N 3.39Å
66	M	98	Very high	96.2	Very high	34 Å²	34	84.3 Å²	84.3	17%	0.167	46%	0.458	C	S	.	.	H	α-helix	trans	-57.9	-33.7	176.3	-67.6	175.6	72.8	0	0	111.8	V62 N68 A69 I76 A80 K81 V84	V62-M66 HydrophobicContact CG1-CG 4.22Å; V62-M66 HydrophobicContact CG1-SD 3.81Å; V62-M66 VanDerWaalsContact O-CG 3.32Å; V62-M66 WeakPolarHBondContact O-CG 3.24Å; V62-M66 PolarHBondContact O-N 3.47Å; M66-N68 VanDerWaalsContact C-N 3.25Å; M66-N68 PolarHBondContact O-N 2.96Å; M66-A69 PolarHBondContact O-N 3.12Å; M66-A69 VanDerWaalsContact O-N 3.13Å; M66-I76 HydrophobicContact CB-CD1 3.62Å; M66-I76 HydrophobicContact CE-CG2 3.59Å; M66-I76 HydrophobicContact SD-CG2 4.44Å; M66-A80 HydrophobicContact CE-CB 4.43Å; M66-K81 HydrophobicContact SD-CB 4.4Å; M66-K81 HydrophobicContact SD-CG 4.19Å; M66-V84 HydrophobicContact CE-CB 4.13Å; M66-V84 HydrophobicContact CE-CG2 3.68Å; M66-V84 HydrophobicContact CG-CG1 4.12Å; M66-V84 HydrophobicContact SD-CB 3.78Å; M66-V84 HydrophobicContact SD-CG1 3.95Å; M66-V84 HydrophobicContact SD-CG2 4.02Å
67	K	97.3	Very high	96.4	Very high	52 Å²	52	83.2 Å²	83.2	23%	0.226	47%	0.467	C	S	.	.	H	α-helix	trans	-63.8	-29.8	179	-173.1	55.3	178.8	159.5	0	112.8	A63 R64 I65 A69 V70 P71 Q72 G74 I76	A63-K67 WeakPolarHBondContact O-CB 3.36Å; A63-K67 PolarHBondContact O-N 2.91Å; R64-K67 WeakPolarHBondContact O-CB 3.28Å; R64-K67 PolarHBondContact O-N 3.33Å; I65-K67 PolarHBondContact O-N 2.95Å; K67-A69 VanDerWaalsContact C-N 3.25Å; K67-A69 PolarHBondContact O-N 3.28Å; K67-V70 HydrophobicContact CD-CG2 3.84Å; K67-V70 WeakPolarHBondContact O-CG2 3.39Å; K67-V70 PolarHBondContact O-N 3.3Å; K67-P71 PolarHBondContact NZ-O 3.25Å; K67-Q72 VanDerWaalsContact NZ-C 3.32Å; K67-Q72 PolarHBondContact NZ-O 2.86Å; K67-G74 PolarHBondContact NZ-O 3.09Å; K67-I76 HydrophobicContact CB-CD1 4.32Å
68	N	96.5	Very high	96.6	Very high	128 Å²	128	86 Å²	86	68%	0.684	48%	0.476	S	S	*	.	H	α-helix	trans	-70.6	-22.1	176.7	-61.9	-12.3	0	0	0	112.8	R64 I65 M66 V70	R64-N68 PolarHBondContact O-OD1 2.93Å; I65-N68 WeakPolarHBondContact O-CB 3.4Å; I65-N68 PolarHBondContact O-N 3.39Å; M66-N68 VanDerWaalsContact C-N 3.25Å; M66-N68 PolarHBondContact O-N 2.96Å; N68-V70 VanDerWaalsContact C-N 3.34Å
69	A	95.9	Very high	96.7	Very high	89 Å²	89	87.8 Å²	87.8	74%	0.736	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.8	178.5	0	0	0	0	0	113.3	M66 K67	M66-A69 PolarHBondContact O-N 3.12Å; M66-A69 VanDerWaalsContact O-N 3.13Å; K67-A69 VanDerWaalsContact C-N 3.25Å; K67-A69 PolarHBondContact O-N 3.28Å
70	V	96.2	Very high	96.9	Very high	55 Å²	55	86.4 Å²	86.4	33%	0.333	48%	0.48	S	S	.	.	S	Bend	trans	-127.7	158.3	-179.4	-57.6	0	0	0	0	111	K67 N68 I76	K67-V70 HydrophobicContact CD-CG2 3.84Å; K67-V70 WeakPolarHBondContact O-CG2 3.39Å; K67-V70 PolarHBondContact O-N 3.3Å; N68-V70 VanDerWaalsContact C-N 3.34Å; V70-I76 HydrophobicContact CG2-CD1 4.16Å; V70-I76 HydrophobicContact CG2-CG1 4.2Å
71	P	97.3	Very high	96.9	Very high	92 Å²	92	86.5 Å²	86.5	60%	0.597	47%	0.469	S	S	*	.			trans	-56.1	154.7	176.9	-26.3	35.1	0	0	0	113.2	K67 T73 G74	K67-P71 PolarHBondContact NZ-O 3.25Å; P71-T73 PolarHBondContact O-N 3.38Å; P71-T73 VanDerWaalsContact O-N 3.12Å; P71-G74 WeakPolarHBondContact O-CA 3.49Å; P71-G74 PolarHBondContact O-N 3.03Å
72	Q	93	Very high	96.9	Very high	170 Å²	170	86.1 Å²	86.1	79%	0.794	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.8	-179.9	-172.6	59.3	27.3	0	0	112.8	K67	K67-Q72 VanDerWaalsContact NZ-C 3.32Å; K67-Q72 PolarHBondContact NZ-O 2.86Å
73	T	94.8	Very high	97	Very high	131 Å²	131	88.9 Å²	88.9	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.2	176.6	54.2	0	0	0	0	114.1	P71	P71-T73 PolarHBondContact O-N 3.38Å; P71-T73 VanDerWaalsContact O-N 3.12Å
74	G	96.7	Very high	97	Very high	25 Å²	25	90.6 Å²	90.6	26%	0.258	49%	0.492	S	S	.	.			trans	-64.9	141.3	-177.5	0	0	0	0	0	112.8	K67 P71	K67-G74 PolarHBondContact NZ-O 3.09Å; P71-G74 WeakPolarHBondContact O-CA 3.49Å; P71-G74 PolarHBondContact O-N 3.03Å
75	K	96.8	Very high	97	Very high	206 Å²	206	84.6 Å²	84.6	90%	0.896	47%	0.47	S	S	*	.			trans	-108.1	141.2	174.3	-64.4	-178.2	-178.4	178.8	0	109.3
76	I	97.7	Very high	97	Very high	33 Å²	33	83.8 Å²	83.8	17%	0.169	46%	0.464	C	S	.	.			trans	-108.4	123.5	176.2	-56.7	167.7	0	0	0	107.2	M66 K67 V70 A80 K81	M66-I76 HydrophobicContact CB-CD1 3.62Å; M66-I76 HydrophobicContact CE-CG2 3.59Å; M66-I76 HydrophobicContact SD-CG2 4.44Å; K67-I76 HydrophobicContact CB-CD1 4.32Å; V70-I76 HydrophobicContact CG2-CD1 4.16Å; V70-I76 HydrophobicContact CG2-CG1 4.2Å; I76-A80 HydrophobicContact CG2-CB 4.1Å; I76-K81 HydrophobicContact CG2-CD 4.46Å; I76-K81 HydrophobicContact CG2-CG 3.68Å; I76-K81 WeakPolarHBondContact O-CE 3.36Å
77	A	98.3	Very high	97	Very high	62 Å²	62	85.3 Å²	85.3	51%	0.512	48%	0.477	S	S	.	.			trans	-62	156.4	177.5	0	0	0	0	0	111.6	A80 K81	A77-A80 HydrophobicContact CB-CB 4.27Å; A77-A80 PolarHBondContact O-N 3.06Å; A77-K81 WeakPolarHBondContact O-CG 3.31Å; A77-K81 PolarHBondContact O-N 2.94Å
78	K	97.7	Very high	97	Very high	133 Å²	133	84.8 Å²	84.8	58%	0.578	48%	0.478	S	S	*	.	H	α-helix	trans	-58.9	-53.2	176.9	-176.7	-176.3	174.3	-87.8	0	110.6	A80 K81 E82	K78-A80 PolarHBondContact O-N 3.19Å; K78-K81 WeakPolarHBondContact O-CA 3.33Å; K78-K81 WeakPolarHBondContact O-CB 3.49Å; K78-K81 PolarHBondContact O-N 3.5Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 IonicContact NZ-OE1 2.93Å; K78-E82 PolarHBondContact NZ-OE1 3.2Å; K78-E82 IonicContact NZ-OE2 3.6Å; K78-E82 PolarHBondContact NZ-OE2 2.86Å; K78-E82 PolarHBondContact O-N 3.05Å; K78-E82 VanDerWaalsContact O-N 3.12Å
79	D	98	Very high	96.9	Very high	117 Å²	117	79.1 Å²	79.1	63%	0.626	45%	0.449	S	S	*	.	H	α-helix	trans	-60.9	-32.9	-176.6	-50	-2.7	0	0	0	112.2	K81 E82 C83	D79-K81 VanDerWaalsContact C-N 3.34Å; D79-K81 PolarHBondContact O-N 3.29Å; D79-E82 PolarHBondContact O-N 3Å; D79-C83 VanDerWaalsContact O-CB 3.3Å; D79-C83 WeakPolarHBondContact O-CB 3.4Å; D79-C83 PolarHBondContact O-N 2.92Å
80	A	98.4	Very high	96.9	Very high	40 Å²	40	81.6 Å²	81.6	33%	0.331	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-35.4	174.8	0	0	0	0	0	112.4	M66 I76 A77 K78 V84	M66-A80 HydrophobicContact CE-CB 4.43Å; I76-A80 HydrophobicContact CG2-CB 4.1Å; A77-A80 HydrophobicContact CB-CB 4.27Å; A77-A80 PolarHBondContact O-N 3.06Å; K78-A80 PolarHBondContact O-N 3.19Å; A80-V84 WeakPolarHBondContact O-CG2 3.38Å; A80-V84 PolarHBondContact O-N 3.31Å; A80-V84 VanDerWaalsContact O-N 3.14Å
81	K	97.9	Very high	97	Very high	64 Å²	64	82.8 Å²	82.8	28%	0.278	45%	0.446	S	S	.	.	H	α-helix	trans	-71	-40.7	176.5	-60.3	166.6	-173.7	174.9	0	111	I59 A63 M66 I76 A77 K78 D79 V84 Q85	I59-K81 HydrophobicContact CD1-CB 3.67Å; I59-K81 WeakPolarHBondContact CD1-O 3.31Å; I59-K81 HydrophobicContact CG1-CB 4.26Å; A63-K81 HydrophobicContact CB-CD 3.99Å; A63-K81 HydrophobicContact CB-CG 4.38Å; M66-K81 HydrophobicContact SD-CB 4.4Å; M66-K81 HydrophobicContact SD-CG 4.19Å; I76-K81 HydrophobicContact CG2-CD 4.46Å; I76-K81 HydrophobicContact CG2-CG 3.68Å; I76-K81 WeakPolarHBondContact O-CE 3.36Å; A77-K81 WeakPolarHBondContact O-CG 3.31Å; A77-K81 PolarHBondContact O-N 2.94Å; K78-K81 WeakPolarHBondContact O-CA 3.33Å; K78-K81 WeakPolarHBondContact O-CB 3.49Å; K78-K81 PolarHBondContact O-N 3.5Å; D79-K81 VanDerWaalsContact C-N 3.34Å; D79-K81 PolarHBondContact O-N 3.29Å; K81-V84 PolarHBondContact O-N 3.45Å; K81-Q85 VanDerWaalsContact O-CB 3.31Å; K81-Q85 WeakPolarHBondContact O-CB 3.32Å; K81-Q85 PolarHBondContact O-N 3.2Å
82	E	96.8	Very high	96.9	Very high	67 Å²	67	82.2 Å²	82.2	31%	0.313	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-46.1	177.7	-68.8	175.2	156.2	0	0	110.3	K78 D79 V84 Q85 E86	K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 IonicContact NZ-OE1 2.93Å; K78-E82 PolarHBondContact NZ-OE1 3.2Å; K78-E82 IonicContact NZ-OE2 3.6Å; K78-E82 PolarHBondContact NZ-OE2 2.86Å; K78-E82 PolarHBondContact O-N 3.05Å; K78-E82 VanDerWaalsContact O-N 3.12Å; D79-E82 PolarHBondContact O-N 3Å; E82-V84 PolarHBondContact O-N 2.92Å; E82-Q85 WeakPolarHBondContact O-CB 3.4Å; E82-Q85 PolarHBondContact O-N 3.3Å; E82-Q85 VanDerWaalsContact O-N 3.14Å; E82-E86 WeakPolarHBondContact O-CG 3.44Å; E82-E86 PolarHBondContact O-N 3.46Å
83	C	97.9	Very high	97	Very high	67 Å²	67	77.5 Å²	77.5	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-58.4	-46.1	174.7	178	0	0	0	0	112.6	D79 Q85 E86 C87	D79-C83 VanDerWaalsContact O-CB 3.3Å; D79-C83 WeakPolarHBondContact O-CB 3.4Å; D79-C83 PolarHBondContact O-N 2.92Å; C83-Q85 VanDerWaalsContact C-N 3.33Å; C83-Q85 PolarHBondContact O-N 2.88Å; C83-E86 PolarHBondContact O-N 3.32Å; C83-C87 PolarHBondContact O-N 3.43Å; C83-C87 PolarHBondContact O-SG 2.97Å
84	V	98.2	Very high	97.1	Very high	56 Å²	56	75.8 Å²	75.8	34%	0.339	40%	0.404	S	S	.	.	H	α-helix	trans	-68.8	-32.2	177.7	174	0	0	0	0	112.2	V62 M66 A80 K81 E82 C87 V88	V62-V84 HydrophobicContact CG1-CB 4.22Å; V62-V84 HydrophobicContact CG1-CG1 3.8Å; M66-V84 HydrophobicContact CE-CB 4.13Å; M66-V84 HydrophobicContact CE-CG2 3.68Å; M66-V84 HydrophobicContact CG-CG1 4.12Å; M66-V84 HydrophobicContact SD-CB 3.78Å; M66-V84 HydrophobicContact SD-CG1 3.95Å; M66-V84 HydrophobicContact SD-CG2 4.02Å; A80-V84 WeakPolarHBondContact O-CG2 3.38Å; A80-V84 PolarHBondContact O-N 3.31Å; A80-V84 VanDerWaalsContact O-N 3.14Å; K81-V84 PolarHBondContact O-N 3.45Å; E82-V84 PolarHBondContact O-N 2.92Å; V84-C87 PolarHBondContact O-N 3.04Å; V84-V88 WeakPolarHBondContact O-CB 3.34Å; V84-V88 WeakPolarHBondContact O-CG1 3.41Å; V84-V88 PolarHBondContact O-N 3.29Å
85	Q	97.1	Very high	97.2	Very high	31 Å²	31	75 Å²	75	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-42.4	173.8	-178	-175	41.4	0	0	111.4	Y56 L57 I59 V62 K81 E82 C83 V88 S89	Y56-Q85 HydrophobicContact CD1-CG 4.27Å; Y56-Q85 HydrophobicContact CG-CG 4.27Å; L57-Q85 PolarHBondContact O-NE2 2.96Å; I59-Q85 HydrophobicContact CD1-CB 4Å; I59-Q85 HydrophobicContact CD1-CG 4.4Å; V62-Q85 HydrophobicContact CG2-CB 4.39Å; K81-Q85 VanDerWaalsContact O-CB 3.31Å; K81-Q85 WeakPolarHBondContact O-CB 3.32Å; K81-Q85 PolarHBondContact O-N 3.2Å; E82-Q85 WeakPolarHBondContact O-CB 3.4Å; E82-Q85 PolarHBondContact O-N 3.3Å; E82-Q85 VanDerWaalsContact O-N 3.14Å; C83-Q85 VanDerWaalsContact C-N 3.33Å; C83-Q85 PolarHBondContact O-N 2.88Å; Q85-V88 VanDerWaalsContact O-CG1 3.26Å; Q85-V88 WeakPolarHBondContact O-CG1 3.42Å; Q85-S89 PolarHBondContact O-N 3.47Å; Q85-S89 PolarHBondContact O-OG 3.43Å
86	E	96.3	Very high	97.3	Very high	108 Å²	108	66.8 Å²	66.8	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-49.2	173.5	-68.8	168.7	-169.3	0	0	110.8	Y56 E82 C83 V88 S89 E90	Y56-E86 HydrophobicContact CE1-CG 4.24Å; E82-E86 WeakPolarHBondContact O-CG 3.44Å; E82-E86 PolarHBondContact O-N 3.46Å; C83-E86 PolarHBondContact O-N 3.32Å; E86-V88 VanDerWaalsContact C-N 3.31Å; E86-V88 PolarHBondContact O-N 3.12Å; E86-S89 PolarHBondContact O-N 3.46Å; E86-E90 PolarHBondContact O-N 3.46Å
87	C	97.8	Very high	97.3	Very high	66 Å²	66	68.4 Å²	68.4	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-37.8	-179.7	-67.6	0	0	0	0	113	C83 V84 E90 F91	C83-C87 PolarHBondContact O-N 3.43Å; C83-C87 PolarHBondContact O-SG 2.97Å; V84-C87 PolarHBondContact O-N 3.04Å; C87-E90 PolarHBondContact O-N 3.46Å; C87-F91 VanDerWaalsContact O-CB 3.28Å; C87-F91 WeakPolarHBondContact O-CB 3.45Å; C87-F91 PolarHBondContact O-N 2.97Å
88	V	97.3	Very high	97.3	Very high	41 Å²	41	68 Å²	68	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-72.4	-35.4	179.8	70.3	0	0	0	0	111.8	L57 V62 V84 Q85 E86 F91 I92	L57-V88 HydrophobicContact CD1-CG1 3.95Å; L57-V88 HydrophobicContact CD1-CG2 4.08Å; L57-V88 HydrophobicContact CG-CG1 4.47Å; V62-V88 HydrophobicContact CG2-CG1 4.43Å; V84-V88 WeakPolarHBondContact O-CB 3.34Å; V84-V88 WeakPolarHBondContact O-CG1 3.41Å; V84-V88 PolarHBondContact O-N 3.29Å; Q85-V88 VanDerWaalsContact O-CG1 3.26Å; Q85-V88 WeakPolarHBondContact O-CG1 3.42Å; E86-V88 VanDerWaalsContact C-N 3.31Å; E86-V88 PolarHBondContact O-N 3.12Å; V88-F91 PolarHBondContact O-N 3.1Å; V88-I92 VanDerWaalsContact O-CG1 3.31Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 3.14Å
89	S	94.7	Very high	97.3	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-40.2	173.7	-74	0	0	0	0	111.5	I55 Q85 E86 I92 S93	I55-S89 PolarHBondContact O-OG 2.79Å; Q85-S89 PolarHBondContact O-N 3.47Å; Q85-S89 PolarHBondContact O-OG 3.43Å; E86-S89 PolarHBondContact O-N 3.46Å; S89-I92 PolarHBondContact O-N 3.39Å; S89-S93 PolarHBondContact O-N 2.98Å; S89-S93 VanDerWaalsContact O-N 3.14Å; S89-S93 PolarHBondContact O-OG 2.73Å
90	E	95.6	Very high	97.3	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	31%	0.313	S	S	*	.	H	α-helix	trans	-64	-43.9	172.1	-173	177	-169.6	0	0	111.4	E86 C87 I92 S93 F94	E86-E90 PolarHBondContact O-N 3.46Å; C87-E90 PolarHBondContact O-N 3.46Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.49Å; E90-S93 CarbonylContact O-C 3.59Å; E90-S93 WeakPolarHBondContact O-CB 3.35Å; E90-S93 PolarHBondContact O-N 3.36Å; E90-S93 VanDerWaalsContact O-N 3.1Å; E90-F94 WeakPolarHBondContact O-CB 3.33Å; E90-F94 PolarHBondContact O-N 2.9Å
91	F	97.9	Very high	97.3	Very high	80 Å²	80	59.8 Å²	59.8	35%	0.351	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-45	177.4	178.7	-100.9	0	0	0	112.1	C87 V88 S93 F94 I95 M120 F125	C87-F91 VanDerWaalsContact O-CB 3.28Å; C87-F91 WeakPolarHBondContact O-CB 3.45Å; C87-F91 PolarHBondContact O-N 2.97Å; V88-F91 PolarHBondContact O-N 3.1Å; F91-S93 VanDerWaalsContact C-N 3.31Å; F91-S93 PolarHBondContact O-N 3.45Å; F91-F94 PolarHBondContact O-N 3.31Å; F91-I95 HydrophobicContact CD1-CG1 4.35Å; F91-I95 HydrophobicContact CD2-CG1 4.27Å; F91-I95 HydrophobicContact CE1-CG1 3.93Å; F91-I95 HydrophobicContact CE2-CD1 3.87Å; F91-I95 HydrophobicContact CE2-CG1 3.84Å; F91-I95 HydrophobicContact CZ-CD1 3.97Å; F91-I95 HydrophobicContact CZ-CG1 3.65Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 3.37Å; F91-M120 HydrophobicContact CE1-CE 4.49Å; F91-M120 HydrophobicContact CZ-CE 4.2Å; F91-F125 HydrophobicContact CD2-CZ 4.44Å; F91-F125 HydrophobicContact CE2-CD2 4.38Å; F91-F125 HydrophobicContact CE2-CE1 4.2Å; F91-F125 AromaticContact CE2-CE2 3.86Å; F91-F125 HydrophobicContact CE2-CE2 3.86Å; F91-F125 AromaticContact CE2-CZ 3.77Å; F91-F125 HydrophobicContact CE2-CZ 3.77Å
92	I	96.2	Very high	97.2	Very high	79 Å²	79	60.6 Å²	60.6	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-46.4	175.5	-68.9	163.9	0	0	0	110.2	L57 V88 S89 E90 F94 T96	L57-I92 HydrophobicContact CD1-CD1 4.3Å; V88-I92 VanDerWaalsContact O-CG1 3.31Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 3.14Å; S89-I92 PolarHBondContact O-N 3.39Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.49Å; I92-F94 VanDerWaalsContact C-N 3.33Å; I92-F94 PolarHBondContact O-N 3.44Å; I92-T96 WeakPolarHBondContact O-CB 3.33Å; I92-T96 PolarHBondContact O-N 2.94Å; I92-T96 PolarHBondContact O-OG1 2.86Å
93	S	95.6	Very high	97.3	Very high	71 Å²	71	57.4 Å²	57.4	50%	0.497	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-40.2	179.8	-57.5	0	0	0	0	111.8	S89 E90 F91 T96 S97	S89-S93 PolarHBondContact O-N 2.98Å; S89-S93 VanDerWaalsContact O-N 3.14Å; S89-S93 PolarHBondContact O-OG 2.73Å; E90-S93 CarbonylContact O-C 3.59Å; E90-S93 WeakPolarHBondContact O-CB 3.35Å; E90-S93 PolarHBondContact O-N 3.36Å; E90-S93 VanDerWaalsContact O-N 3.1Å; F91-S93 VanDerWaalsContact C-N 3.31Å; F91-S93 PolarHBondContact O-N 3.45Å; S93-T96 PolarHBondContact O-N 2.86Å; S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.28Å; S93-S97 PolarHBondContact O-OG 3.46Å
94	F	97.4	Very high	97.2	Very high	96 Å²	96	58.9 Å²	58.9	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-46.6	179.9	177.5	-129.6	0	0	0	113	E90 F91 I92 T96 S97 E98 L123 F125	E90-F94 WeakPolarHBondContact O-CB 3.33Å; E90-F94 PolarHBondContact O-N 2.9Å; F91-F94 PolarHBondContact O-N 3.31Å; I92-F94 VanDerWaalsContact C-N 3.33Å; I92-F94 PolarHBondContact O-N 3.44Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.02Å; F94-E98 PolarHBondContact O-N 3.18Å; F94-L123 HydrophobicContact CD1-CD1 4.16Å; F94-L123 HydrophobicContact CE1-CB 4.41Å; F94-L123 HydrophobicContact CE1-CD1 3.8Å; F94-L123 HydrophobicContact CE1-CD2 4.21Å; F94-L123 HydrophobicContact CE1-CG 4.35Å; F94-L123 HydrophobicContact CE2-CD1 4.31Å; F94-L123 HydrophobicContact CE2-CD2 3.98Å; F94-L123 HydrophobicContact CZ-CD1 3.9Å; F94-L123 HydrophobicContact CZ-CD2 3.54Å; F94-L123 HydrophobicContact CZ-CG 4.17Å; F94-F125 HydrophobicContact CE1-CE2 4.11Å
95	I	98.1	Very high	97.2	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-41.2	175.6	-61.2	-54.4	0	0	0	110.5	F91 S97 E98 A99 I116 A119 M120 L123 F125	F91-I95 HydrophobicContact CD1-CG1 4.35Å; F91-I95 HydrophobicContact CD2-CG1 4.27Å; F91-I95 HydrophobicContact CE1-CG1 3.93Å; F91-I95 HydrophobicContact CE2-CD1 3.87Å; F91-I95 HydrophobicContact CE2-CG1 3.84Å; F91-I95 HydrophobicContact CZ-CD1 3.97Å; F91-I95 HydrophobicContact CZ-CG1 3.65Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 3.37Å; I95-S97 VanDerWaalsContact C-N 3.33Å; I95-S97 PolarHBondContact O-N 2.91Å; I95-E98 PolarHBondContact O-N 3.15Å; I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 3.45Å; I95-I116 HydrophobicContact CG2-CD1 4.5Å; I95-I116 HydrophobicContact CG2-CG2 4.32Å; I95-A119 HydrophobicContact CG2-CB 4.31Å; I95-M120 HydrophobicContact CD1-CE 4.27Å; I95-M120 HydrophobicContact CD1-SD 3.9Å; I95-M120 HydrophobicContact CG1-CE 4.05Å; I95-M120 HydrophobicContact CG1-SD 4.35Å; I95-M120 HydrophobicContact CG2-CE 3.91Å; I95-M120 HydrophobicContact CG2-SD 4.48Å; I95-L123 HydrophobicContact CD1-CD1 3.56Å; I95-F125 HydrophobicContact CD1-CD2 3.85Å; I95-F125 HydrophobicContact CD1-CE2 3.85Å
96	T	97.7	Very high	97.1	Very high	34 Å²	34	64.3 Å²	64.3	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-67.8	-34.2	-176.9	-55.7	0	0	0	0	111.7	I92 S93 F94 S100 I111 I176	I92-T96 WeakPolarHBondContact O-CB 3.33Å; I92-T96 PolarHBondContact O-N 2.94Å; I92-T96 PolarHBondContact O-OG1 2.86Å; S93-T96 PolarHBondContact O-N 2.86Å; F94-T96 VanDerWaalsContact C-N 3.33Å; T96-S100 WeakPolarHBondContact O-CB 3.26Å; T96-S100 PolarHBondContact O-N 3.32Å; T96-I111 HydrophobicContact CG2-CD1 4.12Å; T96-I176 HydrophobicContact CG2-CD1 4.4Å; T96-I176 HydrophobicContact CG2-CG2 4.48Å
97	S	97.7	Very high	97.1	Very high	67 Å²	67	68.5 Å²	68.5	47%	0.469	34%	0.343	S	S	.	.	H	α-helix	trans	-66.3	-45.1	177.1	63.8	0	0	0	0	112	S93 F94 I95 S100 E101	S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.28Å; S93-S97 PolarHBondContact O-OG 3.46Å; F94-S97 PolarHBondContact O-OG 3.02Å; I95-S97 VanDerWaalsContact C-N 3.33Å; I95-S97 PolarHBondContact O-N 2.91Å; S97-S100 WeakPolarHBondContact O-CB 3.48Å; S97-S100 PolarHBondContact O-N 3.31Å; S97-E101 PolarHBondContact O-N 3.02Å
98	E	98.3	Very high	97.1	Very high	54 Å²	54	68.1 Å²	68.1	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-43.8	175.8	-175	65.1	-141.7	0	0	111.7	F94 I95 S100 E101 R102 A119 L123	F94-E98 PolarHBondContact O-N 3.18Å; I95-E98 PolarHBondContact O-N 3.15Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 3.32Å; E98-E101 PolarHBondContact O-N 3.41Å; E98-R102 PolarHBondContact O-N 3.03Å; E98-R102 VanDerWaalsContact O-N 3.12Å; E98-A119 HydrophobicContact CB-CB 3.87Å; E98-A119 HydrophobicContact CG-CB 3.74Å; E98-L123 HydrophobicContact CB-CD1 3.86Å; E98-L123 HydrophobicContact CB-CD2 4.45Å; E98-L123 HydrophobicContact CB-CG 4.33Å; E98-L123 HydrophobicContact CG-CD1 4.08Å; E98-L123 HydrophobicContact CG-CD2 4.16Å; E98-L123 HydrophobicContact CG-CG 4.02Å
99	A	98.4	Very high	97	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-37.7	176.3	0	0	0	0	0	112.4	I95 R102 C103 I111 D115 I116 A119	I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 3.45Å; A99-R102 PolarHBondContact O-N 2.89Å; A99-C103 WeakPolarHBondContact O-CB 3.31Å; A99-C103 PolarHBondContact O-N 3.27Å; A99-I111 HydrophobicContact CB-CG2 4.08Å; A99-D115 HydrophobicContact CB-CB 3.98Å; A99-I116 HydrophobicContact CB-CD1 3.69Å; A99-A119 HydrophobicContact CB-CB 4.03Å
100	S	98.1	Very high	97.1	Very high	20 Å²	20	76.6 Å²	76.6	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-41.7	175.6	-173.8	0	0	0	0	111.5	T96 S97 E98 C103 H104	T96-S100 WeakPolarHBondContact O-CB 3.26Å; T96-S100 PolarHBondContact O-N 3.32Å; S97-S100 WeakPolarHBondContact O-CB 3.48Å; S97-S100 PolarHBondContact O-N 3.31Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 3.32Å; S100-C103 WeakPolarHBondContact O-CB 3.26Å; S100-C103 PolarHBondContact O-N 2.89Å; S100-H104 WeakPolarHBondContact O-CB 3.43Å; S100-H104 PolarHBondContact O-N 3.38Å; S100-H104 PolarHBondContact O-ND1 3.32Å; S100-H104 PolarHBondContact OG-ND1 2.91Å
101	E	97.5	Very high	97.2	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-47.7	176.6	-178.5	54.9	-144.5	0	0	110.7	S97 E98 C103 H104 Q105	S97-E101 PolarHBondContact O-N 3.02Å; E98-E101 PolarHBondContact O-N 3.41Å; E101-C103 PolarHBondContact O-N 3.13Å; E101-H104 PolarHBondContact O-N 3.42Å; E101-Q105 VanDerWaalsContact O-CG 3.3Å; E101-Q105 WeakPolarHBondContact O-CG 3.37Å; E101-Q105 PolarHBondContact O-N 3.28Å; E101-Q105 PolarHBondContact OE1-NE2 3.41Å
102	R	97.1	Very high	97.1	Very high	80 Å²	80	69.7 Å²	69.7	30%	0.302	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-45.5	174.4	178.7	61.9	-172.2	-169.7	1.9	112.6	E98 A99 H104 Q105 E106 F118	E98-R102 PolarHBondContact O-N 3.03Å; E98-R102 VanDerWaalsContact O-N 3.12Å; A99-R102 PolarHBondContact O-N 2.89Å; R102-H104 VanDerWaalsContact C-N 3.34Å; R102-H104 PolarHBondContact O-N 2.95Å; R102-Q105 PolarHBondContact O-N 2.98Å; R102-E106 IonicContact CZ-OE1 2.65Å; R102-E106 IonicContact NE-OE1 2.76Å; R102-E106 PolarHBondContact NE-OE1 3.48Å; R102-E106 IonicContact NH2-OE1 3.31Å; R102-E106 PolarHBondContact NH2-OE1 3.16Å; R102-E106 PolarHBondContact O-N 3.34Å; R102-E106 VanDerWaalsContact O-N 3.16Å; R102-F118 HydrophobicContact CB-CD1 3.84Å; R102-F118 HydrophobicContact CB-CE1 4.12Å; R102-F118 HydrophobicContact CG-CD1 3.74Å; R102-F118 HydrophobicContact CG-CE1 4.17Å; R102-F118 HydrophobicContact CG-CG 4.1Å
103	C	98.1	Very high	97.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-45.1	178	174.5	0	0	0	0	111.7	A99 S100 E101 E106 K107 R108 T110 I111	A99-C103 WeakPolarHBondContact O-CB 3.31Å; A99-C103 PolarHBondContact O-N 3.27Å; S100-C103 WeakPolarHBondContact O-CB 3.26Å; S100-C103 PolarHBondContact O-N 2.89Å; E101-C103 PolarHBondContact O-N 3.13Å; C103-E106 CarbonylContact O-C 3.49Å; C103-E106 PolarHBondContact O-N 3.16Å; C103-K107 PolarHBondContact O-N 3.45Å; C103-R108 PolarHBondContact O-N 2.97Å; C103-R108 VanDerWaalsContact SG-C 3.58Å; C103-R108 VanDerWaalsContact SG-CB 3.56Å; C103-R108 PolarHBondContact SG-NH1 3.42Å; C103-R108 VanDerWaalsContact SG-NH1 3.41Å; C103-R108 PolarHBondContact SG-O 2.85Å; C103-T110 PolarHBondContact SG-O 3.31Å; C103-I111 HydrophobicContact CB-CG1 4.16Å
104	H	97	Very high	97.2	Very high	98 Å²	98	68 Å²	68	45%	0.454	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-40.9	177.9	-82.3	100.9	0	0	0	112.8	S100 E101 R102 E106 K107 A178	S100-H104 WeakPolarHBondContact O-CB 3.43Å; S100-H104 PolarHBondContact O-N 3.38Å; S100-H104 PolarHBondContact O-ND1 3.32Å; S100-H104 PolarHBondContact OG-ND1 2.91Å; E101-H104 PolarHBondContact O-N 3.42Å; R102-H104 VanDerWaalsContact C-N 3.34Å; R102-H104 PolarHBondContact O-N 2.95Å; H104-E106 PolarHBondContact O-N 2.97Å; H104-K107 WeakPolarHBondContact O-CA 3.24Å; H104-K107 PolarHBondContact O-N 2.92Å; H104-A178 WeakPolarHBondContact CE1-CB 3.31Å; H104-A178 PolarHBondContact CE1-O 3.27Å
105	Q	96.7	Very high	97.3	Very high	115 Å²	115	63.6 Å²	63.6	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-33.8	175	-72.3	173	18.8	0	0	111.8	E101 R102 K107	E101-Q105 VanDerWaalsContact O-CG 3.3Å; E101-Q105 WeakPolarHBondContact O-CG 3.37Å; E101-Q105 PolarHBondContact O-N 3.28Å; E101-Q105 PolarHBondContact OE1-NE2 3.41Å; R102-Q105 PolarHBondContact O-N 2.98Å; Q105-K107 PolarHBondContact O-N 3.49Å
106	E	96.4	Very high	97.3	Very high	87 Å²	87	65.6 Å²	65.6	41%	0.407	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	8.4	173.6	-67.7	-170.7	-174.8	0	0	114.3	R102 C103 H104 R108	R102-E106 IonicContact CZ-OE1 2.65Å; R102-E106 IonicContact NE-OE1 2.76Å; R102-E106 PolarHBondContact NE-OE1 3.48Å; R102-E106 IonicContact NH2-OE1 3.31Å; R102-E106 PolarHBondContact NH2-OE1 3.16Å; R102-E106 PolarHBondContact O-N 3.34Å; R102-E106 VanDerWaalsContact O-N 3.16Å; C103-E106 CarbonylContact O-C 3.49Å; C103-E106 PolarHBondContact O-N 3.16Å; H104-E106 PolarHBondContact O-N 2.97Å; E106-R108 PolarHBondContact O-N 3.44Å; E106-R108 IonicContact OE2-CZ 2.62Å; E106-R108 VanDerWaalsContact OE2-CZ 3.31Å; E106-R108 IonicContact OE2-NE 2.94Å; E106-R108 PolarHBondContact OE2-NE 2.66Å; E106-R108 IonicContact OE2-NH2 3.18Å; E106-R108 PolarHBondContact OE2-NH2 3.15Å
107	K	96.4	Very high	97.3	Very high	196 Å²	196	64.6 Å²	64.6	85%	0.852	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	28.2	-178.8	-53.4	178.8	-178.8	178.5	0	113.5	C103 H104 Q105	C103-K107 PolarHBondContact O-N 3.45Å; H104-K107 WeakPolarHBondContact O-CA 3.24Å; H104-K107 PolarHBondContact O-N 2.92Å; Q105-K107 PolarHBondContact O-N 3.49Å
108	R	97.2	Very high	97.3	Very high	57 Å²	57	65.1 Å²	65.1	22%	0.215	31%	0.309	C	S	.	.			trans	-97.9	150.1	174.2	-69.1	-176.3	-71.6	102.3	-5.8	110	C103 E106 T110 N112 D115	C103-R108 PolarHBondContact O-N 2.97Å; C103-R108 VanDerWaalsContact SG-C 3.58Å; C103-R108 VanDerWaalsContact SG-CB 3.56Å; C103-R108 PolarHBondContact SG-NH1 3.42Å; C103-R108 VanDerWaalsContact SG-NH1 3.41Å; C103-R108 PolarHBondContact SG-O 2.85Å; E106-R108 PolarHBondContact O-N 3.44Å; E106-R108 IonicContact OE2-CZ 2.62Å; E106-R108 VanDerWaalsContact OE2-CZ 3.31Å; E106-R108 IonicContact OE2-NE 2.94Å; E106-R108 PolarHBondContact OE2-NE 2.66Å; E106-R108 IonicContact OE2-NH2 3.18Å; E106-R108 PolarHBondContact OE2-NH2 3.15Å; R108-T110 PolarHBondContact NH1-O 2.65Å; R108-T110 VanDerWaalsContact NH1-O 3.13Å; R108-N112 PolarHBondContact NH1-ND2 3.23Å; R108-D115 IonicContact CZ-OD1 3.31Å; R108-D115 IonicContact CZ-OD2 3.5Å; R108-D115 IonicContact NH1-OD1 2.94Å; R108-D115 IonicContact NH1-OD2 2.72Å; R108-D115 PolarHBondContact NH1-OD2 2.86Å; R108-D115 IonicContact NH2-OD1 3.46Å; R108-D115 PolarHBondContact NH2-OD1 3.31Å; R108-D115 IonicContact NH2-OD2 2.71Å; R108-D115 PolarHBondContact NH2-OD2 2.71Å
109	K	95.6	Very high	97.3	Very high	167 Å²	167	62.6 Å²	62.6	73%	0.726	30%	0.297	S	S	*	.	S	Bend	trans	-101.3	-7.5	174.6	-63.2	-172.6	178.1	-172.9	0	113.1	T177 A178	K109-T177 HydrophobicContact CB-CG2 4.41Å; K109-T177 CarbonylContact O-C 3.59Å; K109-T177 VanDerWaalsContact O-CA 3.31Å; K109-T177 WeakPolarHBondContact O-CA 3.42Å; K109-T177 WeakPolarHBondContact O-CG2 3.15Å; K109-A178 WeakPolarHBondContact O-CB 3.28Å; K109-A178 PolarHBondContact O-N 2.94Å
110	T	96.8	Very high	97.3	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.38	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-124.1	122.4	-176	-53.5	0	0	0	0	108.7	C103 R108 I175	C103-T110 PolarHBondContact SG-O 3.31Å; R108-T110 PolarHBondContact NH1-O 2.65Å; R108-T110 VanDerWaalsContact NH1-O 3.13Å; T110-I175 HydrophobicContact CG2-CB 4.11Å; T110-I175 HydrophobicContact CG2-CG2 3.67Å
111	I	97.6	Very high	97.3	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.087	31%	0.313	C	S	.	.			trans	-70.3	132.8	175.9	-56.4	176.6	0	0	0	107.8	T96 A99 C103 D115 I116 I176	T96-I111 HydrophobicContact CG2-CD1 4.12Å; A99-I111 HydrophobicContact CB-CG2 4.08Å; C103-I111 HydrophobicContact CB-CG1 4.16Å; I111-D115 HydrophobicContact CG2-CB 3.85Å; I111-I116 HydrophobicContact CG2-CD1 4.18Å; I111-I176 HydrophobicContact CD1-CB 4.42Å; I111-I176 HydrophobicContact CD1-CG2 4.04Å; I111-I176 PolarHBondContact N-O 2.93Å; I111-I176 VanDerWaalsContact N-O 3.1Å
112	N	95.9	Very high	97.3	Very high	59 Å²	59	64 Å²	64	32%	0.316	31%	0.313	S	S	.	.			trans	-114.3	174	178.1	71.4	37.2	0	0	0	111.2	R108 E114 D115	R108-N112 PolarHBondContact NH1-ND2 3.23Å; N112-E114 PolarHBondContact O-N 2.95Å; N112-E114 WeakPolarHBondContact OD1-CA 3.45Å; N112-E114 VanDerWaalsContact OD1-CB 3.27Å; N112-E114 WeakPolarHBondContact OD1-CB 3.38Å; N112-E114 PolarHBondContact OD1-N 3.27Å; N112-D115 VanDerWaalsContact CG-OD2 3.29Å; N112-D115 PolarHBondContact N-OD2 2.88Å; N112-D115 WeakPolarHBondContact O-CB 3.4Å; N112-D115 PolarHBondContact O-N 2.76Å; N112-D115 PolarHBondContact OD1-N 2.94Å; N112-D115 PolarHBondContact OD1-OD2 3.22Å
113	G	96.5	Very high	97.3	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-26.1	179.5	0	0	0	0	0	114.5	I116 L117	G113-I116 PolarHBondContact O-N 3.36Å; G113-L117 WeakPolarHBondContact O-CG 3.3Å; G113-L117 PolarHBondContact O-N 2.98Å
114	E	97.5	Very high	97.3	Very high	88 Å²	88	64.9 Å²	64.9	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-72.1	-33.6	177.1	-51.5	-61.9	154.9	0	0	111.4	N112 I116 L117 F118 R140	N112-E114 PolarHBondContact O-N 2.95Å; N112-E114 WeakPolarHBondContact OD1-CA 3.45Å; N112-E114 VanDerWaalsContact OD1-CB 3.27Å; N112-E114 WeakPolarHBondContact OD1-CB 3.38Å; N112-E114 PolarHBondContact OD1-N 3.27Å; E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 3.46Å; E114-L117 PolarHBondContact O-N 3.48Å; E114-F118 WeakPolarHBondContact O-CB 3.49Å; E114-F118 PolarHBondContact O-N 3.47Å; E114-R140 IonicContact OE1-CZ 2.68Å; E114-R140 VanDerWaalsContact OE1-CZ 3.31Å; E114-R140 IonicContact OE1-NH1 3.04Å; E114-R140 PolarHBondContact OE1-NH1 2.88Å; E114-R140 IonicContact OE1-NH2 3.3Å; E114-R140 PolarHBondContact OE1-NH2 3.02Å
115	D	98.1	Very high	97.3	Very high	2 Å²	2	63 Å²	63	1%	0.011	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-41.1	174.3	-62	-47	0	0	0	111.5	A99 R108 I111 N112 F118 A119	A99-D115 HydrophobicContact CB-CB 3.98Å; R108-D115 IonicContact CZ-OD1 3.31Å; R108-D115 IonicContact CZ-OD2 3.5Å; R108-D115 IonicContact NH1-OD1 2.94Å; R108-D115 IonicContact NH1-OD2 2.72Å; R108-D115 PolarHBondContact NH1-OD2 2.86Å; R108-D115 IonicContact NH2-OD1 3.46Å; R108-D115 PolarHBondContact NH2-OD1 3.31Å; R108-D115 IonicContact NH2-OD2 2.71Å; R108-D115 PolarHBondContact NH2-OD2 2.71Å; I111-D115 HydrophobicContact CG2-CB 3.85Å; N112-D115 VanDerWaalsContact CG-OD2 3.29Å; N112-D115 PolarHBondContact N-OD2 2.88Å; N112-D115 WeakPolarHBondContact O-CB 3.4Å; N112-D115 PolarHBondContact O-N 2.76Å; N112-D115 PolarHBondContact OD1-N 2.94Å; N112-D115 PolarHBondContact OD1-OD2 3.22Å; D115-F118 PolarHBondContact O-N 3.3Å; D115-A119 WeakPolarHBondContact O-CB 3.2Å; D115-A119 PolarHBondContact O-N 2.87Å
116	I	98.1	Very high	97.3	Very high	51 Å²	51	61.7 Å²	61.7	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-43.3	176.5	-56	-64	0	0	0	110.6	I95 A99 I111 G113 E114 F118 A119 M120	I95-I116 HydrophobicContact CG2-CD1 4.5Å; I95-I116 HydrophobicContact CG2-CG2 4.32Å; A99-I116 HydrophobicContact CB-CD1 3.69Å; I111-I116 HydrophobicContact CG2-CD1 4.18Å; G113-I116 PolarHBondContact O-N 3.36Å; E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 3.46Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 3.41Å; I116-A119 PolarHBondContact O-N 3.32Å; I116-M120 HydrophobicContact CG2-CE 4.42Å; I116-M120 HydrophobicContact CG2-CG 4.46Å; I116-M120 VanDerWaalsContact O-CG 3.26Å; I116-M120 WeakPolarHBondContact O-CG 3.24Å; I116-M120 PolarHBondContact O-N 3.28Å
117	L	98.1	Very high	97.3	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-39.8	176.8	-70.1	172.8	0	0	0	111.9	G113 E114 S121 V129 L132 K133 L136	G113-L117 WeakPolarHBondContact O-CG 3.3Å; G113-L117 PolarHBondContact O-N 2.98Å; E114-L117 PolarHBondContact O-N 3.48Å; L117-S121 PolarHBondContact O-N 3.27Å; L117-V129 HydrophobicContact CD2-CG1 4.42Å; L117-L132 HydrophobicContact CD2-CB 3.53Å; L117-K133 HydrophobicContact CD1-CG 3.62Å; L117-K133 HydrophobicContact CD2-CG 3.88Å; L117-K133 HydrophobicContact CG-CG 4.39Å; L117-L136 HydrophobicContact CD1-CD2 3.89Å
118	F	97.9	Very high	97.3	Very high	78 Å²	78	63.1 Å²	63.1	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-47.7	174.2	175.6	-90.5	0	0	0	111.8	R102 E114 D115 I116 M120 S121 T122	R102-F118 HydrophobicContact CB-CD1 3.84Å; R102-F118 HydrophobicContact CB-CE1 4.12Å; R102-F118 HydrophobicContact CG-CD1 3.74Å; R102-F118 HydrophobicContact CG-CE1 4.17Å; R102-F118 HydrophobicContact CG-CG 4.1Å; E114-F118 WeakPolarHBondContact O-CB 3.49Å; E114-F118 PolarHBondContact O-N 3.47Å; D115-F118 PolarHBondContact O-N 3.3Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 3.41Å; F118-M120 VanDerWaalsContact C-N 3.34Å; F118-M120 PolarHBondContact O-N 3.1Å; F118-S121 PolarHBondContact O-N 3.47Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.47Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.48Å; F118-T122 WeakPolarHBondContact O-CB 3.06Å; F118-T122 PolarHBondContact O-N 3.37Å; F118-T122 PolarHBondContact O-OG1 3.34Å
119	A	98.3	Very high	97.4	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-44.8	178.1	0	0	0	0	0	111.5	I95 E98 A99 D115 I116 S121 T122 L123	I95-A119 HydrophobicContact CG2-CB 4.31Å; E98-A119 HydrophobicContact CB-CB 3.87Å; E98-A119 HydrophobicContact CG-CB 3.74Å; A99-A119 HydrophobicContact CB-CB 4.03Å; D115-A119 WeakPolarHBondContact O-CB 3.2Å; D115-A119 PolarHBondContact O-N 2.87Å; I116-A119 PolarHBondContact O-N 3.32Å; A119-S121 PolarHBondContact O-N 3.19Å; A119-T122 PolarHBondContact O-N 2.86Å; A119-L123 WeakPolarHBondContact O-CB 3.38Å; A119-L123 VanDerWaalsContact O-CG 3.24Å; A119-L123 WeakPolarHBondContact O-CG 3.2Å; A119-L123 PolarHBondContact O-N 3.35Å
120	M	98.3	Very high	97.4	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-44.5	178	-71.2	-67.3	-175.8	0	0	112.4	F91 I95 I116 F118 G124 F125 V129 L132	F91-M120 HydrophobicContact CE1-CE 4.49Å; F91-M120 HydrophobicContact CZ-CE 4.2Å; I95-M120 HydrophobicContact CD1-CE 4.27Å; I95-M120 HydrophobicContact CD1-SD 3.9Å; I95-M120 HydrophobicContact CG1-CE 4.05Å; I95-M120 HydrophobicContact CG1-SD 4.35Å; I95-M120 HydrophobicContact CG2-CE 3.91Å; I95-M120 HydrophobicContact CG2-SD 4.48Å; I116-M120 HydrophobicContact CG2-CE 4.42Å; I116-M120 HydrophobicContact CG2-CG 4.46Å; I116-M120 VanDerWaalsContact O-CG 3.26Å; I116-M120 WeakPolarHBondContact O-CG 3.24Å; I116-M120 PolarHBondContact O-N 3.28Å; F118-M120 VanDerWaalsContact C-N 3.34Å; F118-M120 PolarHBondContact O-N 3.1Å; M120-G124 PolarHBondContact O-N 3.22Å; M120-F125 HydrophobicContact CB-CB 4.38Å; M120-F125 CarbonylContact O-C 3.5Å; M120-F125 VanDerWaalsContact O-CA 3.31Å; M120-F125 WeakPolarHBondContact O-CA 3.43Å; M120-F125 WeakPolarHBondContact O-CB 3.47Å; M120-F125 PolarHBondContact O-N 3.44Å; M120-F125 HydrophobicContact SD-CB 3.95Å; M120-F125 HydrophobicContact SD-CD2 4.33Å; M120-F125 HydrophobicContact SD-CG 4.41Å; M120-V129 HydrophobicContact CB-CG2 4Å; M120-L132 HydrophobicContact CE-CD1 4.03Å; M120-L132 HydrophobicContact CG-CD1 3.91Å; M120-L132 HydrophobicContact SD-CD1 4.48Å
121	S	97.8	Very high	97.5	Very high	55 Å²	55	59.3 Å²	59.3	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-70	-42.8	177.5	-170.5	0	0	0	0	111.9	L117 F118 A119 L123 G124 D126	L117-S121 PolarHBondContact O-N 3.27Å; F118-S121 PolarHBondContact O-N 3.47Å; A119-S121 PolarHBondContact O-N 3.19Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.91Å; S121-G124 PolarHBondContact O-N 3.43Å; S121-G124 VanDerWaalsContact O-N 3.1Å; S121-D126 PolarHBondContact OG-OD1 3.37Å
122	T	97.5	Very high	97.5	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.454	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-37	-178.2	-58.4	0	0	0	0	112.4	F118 A119 G124	F118-T122 WeakPolarHBondContact CE1-OG1 3.47Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.48Å; F118-T122 WeakPolarHBondContact O-CB 3.06Å; F118-T122 PolarHBondContact O-N 3.37Å; F118-T122 PolarHBondContact O-OG1 3.34Å; A119-T122 PolarHBondContact O-N 2.86Å; T122-G124 VanDerWaalsContact C-N 3.29Å; T122-G124 PolarHBondContact O-N 3.27Å
123	L	97.6	Very high	97.6	Very high	44 Å²	44	63.3 Å²	63.3	23%	0.23	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.2	179.9	-60.9	174.3	0	0	0	113.4	F94 I95 E98 A119 S121 F125	F94-L123 HydrophobicContact CD1-CD1 4.16Å; F94-L123 HydrophobicContact CE1-CB 4.41Å; F94-L123 HydrophobicContact CE1-CD1 3.8Å; F94-L123 HydrophobicContact CE1-CD2 4.21Å; F94-L123 HydrophobicContact CE1-CG 4.35Å; F94-L123 HydrophobicContact CE2-CD1 4.31Å; F94-L123 HydrophobicContact CE2-CD2 3.98Å; F94-L123 HydrophobicContact CZ-CD1 3.9Å; F94-L123 HydrophobicContact CZ-CD2 3.54Å; F94-L123 HydrophobicContact CZ-CG 4.17Å; I95-L123 HydrophobicContact CD1-CD1 3.56Å; E98-L123 HydrophobicContact CB-CD1 3.86Å; E98-L123 HydrophobicContact CB-CD2 4.45Å; E98-L123 HydrophobicContact CB-CG 4.33Å; E98-L123 HydrophobicContact CG-CD1 4.08Å; E98-L123 HydrophobicContact CG-CD2 4.16Å; E98-L123 HydrophobicContact CG-CG 4.02Å; A119-L123 WeakPolarHBondContact O-CB 3.38Å; A119-L123 VanDerWaalsContact O-CG 3.24Å; A119-L123 WeakPolarHBondContact O-CG 3.2Å; A119-L123 PolarHBondContact O-N 3.35Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.91Å; L123-F125 HydrophobicContact CB-CD2 3.78Å; L123-F125 HydrophobicContact CB-CE2 3.91Å
124	G	97.7	Very high	97.6	Very high	54 Å²	54	66.4 Å²	66.4	56%	0.557	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	18.8	176.8	0	0	0	0	0	115.1	M120 S121 T122 D126	M120-G124 PolarHBondContact O-N 3.22Å; S121-G124 PolarHBondContact O-N 3.43Å; S121-G124 VanDerWaalsContact O-N 3.1Å; T122-G124 VanDerWaalsContact C-N 3.29Å; T122-G124 PolarHBondContact O-N 3.27Å; G124-D126 VanDerWaalsContact C-N 3.3Å; G124-D126 PolarHBondContact O-N 3.23Å
125	F	97.5	Very high	97.6	Very high	60 Å²	60	69.1 Å²	69.1	26%	0.263	36%	0.358	S	S	.	.			trans	-93.9	37.2	175.7	-64	-64.6	0	0	0	112.1	F91 F94 I95 M120 L123 M127 Y128	F91-F125 HydrophobicContact CD2-CZ 4.44Å; F91-F125 HydrophobicContact CE2-CD2 4.38Å; F91-F125 HydrophobicContact CE2-CE1 4.2Å; F91-F125 AromaticContact CE2-CE2 3.86Å; F91-F125 HydrophobicContact CE2-CE2 3.86Å; F91-F125 AromaticContact CE2-CZ 3.77Å; F91-F125 HydrophobicContact CE2-CZ 3.77Å; F94-F125 HydrophobicContact CE1-CE2 4.11Å; I95-F125 HydrophobicContact CD1-CD2 3.85Å; I95-F125 HydrophobicContact CD1-CE2 3.85Å; M120-F125 HydrophobicContact CB-CB 4.38Å; M120-F125 CarbonylContact O-C 3.5Å; M120-F125 VanDerWaalsContact O-CA 3.31Å; M120-F125 WeakPolarHBondContact O-CA 3.43Å; M120-F125 WeakPolarHBondContact O-CB 3.47Å; M120-F125 PolarHBondContact O-N 3.44Å; M120-F125 HydrophobicContact SD-CB 3.95Å; M120-F125 HydrophobicContact SD-CD2 4.33Å; M120-F125 HydrophobicContact SD-CG 4.41Å; L123-F125 HydrophobicContact CB-CD2 3.78Å; L123-F125 HydrophobicContact CB-CE2 3.91Å; F125-M127 PolarHBondContact O-N 3.26Å; F125-M127 VanDerWaalsContact O-N 3.07Å; F125-Y128 HydrophobicContact CB-CD2 3.93Å; F125-Y128 HydrophobicContact CD1-CD2 4.4Å; F125-Y128 HydrophobicContact CD1-CE2 4.29Å; F125-Y128 PolarHBondContact O-N 3.02Å
126	D	96.2	Very high	97.5	Very high	86 Å²	86	70.3 Å²	70.3	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-31.2	-172.1	-59.7	-80.8	0	0	0	113.7	S121 G124 Y128 V129	S121-D126 PolarHBondContact OG-OD1 3.37Å; G124-D126 VanDerWaalsContact C-N 3.3Å; G124-D126 PolarHBondContact O-N 3.23Å; D126-Y128 PolarHBondContact O-N 3.41Å; D126-Y128 VanDerWaalsContact O-N 3.09Å; D126-V129 WeakPolarHBondContact O-CB 3.41Å; D126-V129 PolarHBondContact O-N 3.25Å
127	M	96.8	Very high	97.4	Very high	174 Å²	174	72.9 Å²	72.9	86%	0.857	38%	0.375	S	S	*	.	H	α-helix	trans	-59.4	-21.3	176.4	-70.6	-170.9	57.3	0	0	113.9	F125	F125-M127 PolarHBondContact O-N 3.26Å; F125-M127 VanDerWaalsContact O-N 3.07Å
128	Y	97.5	Very high	97.3	Very high	140 Å²	140	78.2 Å²	78.2	55%	0.549	40%	0.398	S	S	.	.	H	α-helix	trans	-92.2	-15.5	178.1	-64.5	-79.5	0	0	0	113.3	F125 D126 P131 L132	F125-Y128 HydrophobicContact CB-CD2 3.93Å; F125-Y128 HydrophobicContact CD1-CD2 4.4Å; F125-Y128 HydrophobicContact CD1-CE2 4.29Å; F125-Y128 PolarHBondContact O-N 3.02Å; D126-Y128 PolarHBondContact O-N 3.41Å; D126-Y128 VanDerWaalsContact O-N 3.09Å; Y128-P131 WeakPolarHBondContact O-CD 3.46Å; Y128-L132 VanDerWaalsContact O-CB 3.3Å; Y128-L132 WeakPolarHBondContact O-CB 3.39Å; Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; Y128-L132 PolarHBondContact O-N 3.28Å
129	V	97.4	Very high	97.1	Very high	13 Å²	13	78.7 Å²	78.7	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-63.8	-49.5	-171.7	173.2	0	0	0	0	111.9	L117 M120 D126 L132 K133	L117-V129 HydrophobicContact CD2-CG1 4.42Å; M120-V129 HydrophobicContact CB-CG2 4Å; D126-V129 WeakPolarHBondContact O-CB 3.41Å; D126-V129 PolarHBondContact O-N 3.25Å; V129-L132 PolarHBondContact O-N 3.3Å; V129-K133 HydrophobicContact CG1-CD 4.12Å; V129-K133 VanDerWaalsContact CG1-CE 3.42Å; V129-K133 HydrophobicContact CG1-CG 4.49Å; V129-K133 WeakPolarHBondContact O-CG 3.12Å; V129-K133 PolarHBondContact O-N 2.83Å
130	D	97.5	Very high	96.9	Very high	111 Å²	111	84 Å²	84	59%	0.594	42%	0.42	S	S	*	.	H	α-helix	trans	-68.4	-44.4	-177.1	-68.7	-22.3	0	0	0	113.2	L132 K133 L134	D130-L132 VanDerWaalsContact C-N 3.3Å; D130-L132 PolarHBondContact O-N 3.04Å; D130-K133 PolarHBondContact O-N 2.72Å; D130-K133 IonicContact OD1-NZ 3.57Å; D130-K133 PolarHBondContact OD1-NZ 3.41Å; D130-L134 PolarHBondContact O-N 3.3Å; D130-L134 VanDerWaalsContact O-N 3.13Å
131	P	97.9	Very high	96.6	Very high	82 Å²	82	88.1 Å²	88.1	53%	0.532	44%	0.439	S	S	.	.	H	α-helix	trans	-55.1	-43	169.7	-27.3	34.7	0	0	0	113.3	Y128 L134 Y135	Y128-P131 WeakPolarHBondContact O-CD 3.46Å; P131-L134 PolarHBondContact O-N 3.1Å; P131-Y135 PolarHBondContact O-N 2.68Å
132	L	98	Very high	96.3	Very high	56 Å²	56	88.8 Å²	88.8	29%	0.293	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-36.2	-179.6	-72.3	171.6	0	0	0	112.7	L117 M120 Y128 V129 D130 Y135 L136	L117-L132 HydrophobicContact CD2-CB 3.53Å; M120-L132 HydrophobicContact CE-CD1 4.03Å; M120-L132 HydrophobicContact CG-CD1 3.91Å; M120-L132 HydrophobicContact SD-CD1 4.48Å; Y128-L132 VanDerWaalsContact O-CB 3.3Å; Y128-L132 WeakPolarHBondContact O-CB 3.39Å; Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; Y128-L132 PolarHBondContact O-N 3.28Å; V129-L132 PolarHBondContact O-N 3.3Å; D130-L132 VanDerWaalsContact C-N 3.3Å; D130-L132 PolarHBondContact O-N 3.04Å; L132-Y135 PolarHBondContact O-N 3.21Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 PolarHBondContact O-N 2.99Å
133	K	97.5	Very high	95.7	Very high	104 Å²	104	90.2 Å²	90.2	45%	0.452	45%	0.451	S	S	.	.	H	α-helix	trans	-59.7	-46.7	172.6	-79.1	171.4	-175.4	161.8	0	111.4	L117 V129 D130 Y135 L136 Q137	L117-K133 HydrophobicContact CD1-CG 3.62Å; L117-K133 HydrophobicContact CD2-CG 3.88Å; L117-K133 HydrophobicContact CG-CG 4.39Å; V129-K133 HydrophobicContact CG1-CD 4.12Å; V129-K133 VanDerWaalsContact CG1-CE 3.42Å; V129-K133 HydrophobicContact CG1-CG 4.49Å; V129-K133 WeakPolarHBondContact O-CG 3.12Å; V129-K133 PolarHBondContact O-N 2.83Å; D130-K133 PolarHBondContact O-N 2.72Å; D130-K133 IonicContact OD1-NZ 3.57Å; D130-K133 PolarHBondContact OD1-NZ 3.41Å; K133-Y135 VanDerWaalsContact C-N 3.32Å; K133-Y135 PolarHBondContact O-N 2.83Å; K133-L136 PolarHBondContact O-N 3.47Å; K133-Q137 PolarHBondContact O-N 3.32Å
134	L	97.2	Very high	95	Very high	91 Å²	91	96.5 Å²	96.5	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.3	179.7	61.8	0	0	0	111.1	D130 P131 Q137 K138	D130-L134 PolarHBondContact O-N 3.3Å; D130-L134 VanDerWaalsContact O-N 3.13Å; P131-L134 PolarHBondContact O-N 3.1Å; L134-Q137 PolarHBondContact O-N 3.36Å; L134-K138 WeakPolarHBondContact O-CG 3.49Å; L134-K138 PolarHBondContact O-N 3.13Å; L134-K138 VanDerWaalsContact O-N 3.1Å
135	Y	97.2	Very high	93.1	Very high	146 Å²	146	96.1 Å²	96.1	57%	0.573	47%	0.472	S	S	*	.	H	α-helix	trans	-60.3	-48.2	175.5	-177.8	-90.3	0	0	0	111.9	P131 L132 K133 Q137 K138 F139	P131-Y135 PolarHBondContact O-N 2.68Å; L132-Y135 PolarHBondContact O-N 3.21Å; K133-Y135 VanDerWaalsContact C-N 3.32Å; K133-Y135 PolarHBondContact O-N 2.83Å; Y135-Q137 VanDerWaalsContact C-N 3.3Å; Y135-Q137 PolarHBondContact O-N 3.29Å; Y135-K138 PolarHBondContact O-N 3.05Å; Y135-F139 WeakPolarHBondContact O-CB 3.49Å; Y135-F139 PolarHBondContact O-N 3.29Å
136	L	95.3	Very high	91.1	Very high	27 Å²	27	101 Å²	101	14%	0.141	50%	0.495	C	S	.	.	H	α-helix	trans	-60.3	-39.3	179.1	-179.5	60.4	0	0	0	112.1	L117 L132 K133 R140	L117-L136 HydrophobicContact CD1-CD2 3.89Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 PolarHBondContact O-N 2.99Å; K133-L136 PolarHBondContact O-N 3.47Å; L136-R140 VanDerWaalsContact O-CG 3.31Å; L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.14Å
137	Q	95.9	Very high	88.9	Confident	105 Å²	105	107.2 Å²	107.2	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-53	174.4	-177.3	-173.4	-33.8	0	0	111.2	K133 L134 Y135 F139 R140 E141	K133-Q137 PolarHBondContact O-N 3.32Å; L134-Q137 PolarHBondContact O-N 3.36Å; Y135-Q137 VanDerWaalsContact C-N 3.3Å; Y135-Q137 PolarHBondContact O-N 3.29Å; Q137-F139 VanDerWaalsContact C-N 3.29Å; Q137-F139 PolarHBondContact O-N 3.43Å; Q137-R140 WeakPolarHBondContact O-CB 3.46Å; Q137-R140 PolarHBondContact O-N 3.38Å; Q137-R140 VanDerWaalsContact O-N 3.14Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.31Å; Q137-E141 PolarHBondContact NE2-OE1 2.94Å; Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.32Å
138	K	95.5	Very high	86	Confident	125 Å²	125	101.6 Å²	101.6	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-39.2	179.5	-71.7	-175.7	176.2	-173.4	0	112.1	L134 Y135 E141 A142	L134-K138 WeakPolarHBondContact O-CG 3.49Å; L134-K138 PolarHBondContact O-N 3.13Å; L134-K138 VanDerWaalsContact O-N 3.1Å; Y135-K138 PolarHBondContact O-N 3.05Å; K138-E141 PolarHBondContact O-N 3.37Å; K138-A142 WeakPolarHBondContact O-CB 3.49Å; K138-A142 PolarHBondContact O-N 3.28Å
139	F	94.2	Very high	83.3	Confident	88 Å²	88	103.8 Å²	103.8	39%	0.386	52%	0.523	S	S	.	.	H	α-helix	trans	-60.6	-45	175.3	179.3	-96.8	0	0	0	111.8	Y135 Q137 E141 A142 M143	Y135-F139 WeakPolarHBondContact O-CB 3.49Å; Y135-F139 PolarHBondContact O-N 3.29Å; Q137-F139 VanDerWaalsContact C-N 3.29Å; Q137-F139 PolarHBondContact O-N 3.43Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.02Å; F139-A142 PolarHBondContact O-N 3.39Å; F139-M143 HydrophobicContact CD1-CG 4.34Å; F139-M143 HydrophobicContact CE1-CE 4.5Å; F139-M143 HydrophobicContact CE1-CG 3.99Å; F139-M143 HydrophobicContact CE2-CE 3.7Å; F139-M143 HydrophobicContact CE2-CG 4.45Å; F139-M143 HydrophobicContact CZ-CE 3.65Å; F139-M143 HydrophobicContact CZ-CG 4.06Å; F139-M143 HydrophobicContact CZ-SD 4.4Å; F139-M143 WeakPolarHBondContact O-CB 3.05Å; F139-M143 VanDerWaalsContact O-CG 3.28Å; F139-M143 WeakPolarHBondContact O-CG 3.04Å; F139-M143 PolarHBondContact O-N 3.24Å
140	R	93.7	Very high	80.7	Confident	111 Å²	111	108.6 Å²	108.6	42%	0.419	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-36.9	176.2	-73.2	170.5	171.8	164.6	2.2	112.5	E114 L136 Q137 K144	E114-R140 IonicContact OE1-CZ 2.68Å; E114-R140 VanDerWaalsContact OE1-CZ 3.31Å; E114-R140 IonicContact OE1-NH1 3.04Å; E114-R140 PolarHBondContact OE1-NH1 2.88Å; E114-R140 IonicContact OE1-NH2 3.3Å; E114-R140 PolarHBondContact OE1-NH2 3.02Å; L136-R140 VanDerWaalsContact O-CG 3.31Å; L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.14Å; Q137-R140 WeakPolarHBondContact O-CB 3.46Å; Q137-R140 PolarHBondContact O-N 3.38Å; Q137-R140 VanDerWaalsContact O-N 3.14Å; R140-K144 WeakPolarHBondContact O-CG 3.12Å; R140-K144 PolarHBondContact O-N 2.79Å
141	E	93	Very high	78.1	Confident	105 Å²	105	106.9 Å²	106.9	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-46.5	175.7	-71.8	168.9	-175.6	0	0	111.3	Q137 K138 F139 M143 K144 G145	Q137-E141 WeakPolarHBondContact CG-OE1 3.31Å; Q137-E141 PolarHBondContact NE2-OE1 2.94Å; Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.32Å; K138-E141 PolarHBondContact O-N 3.37Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.02Å; E141-M143 VanDerWaalsContact C-N 3.33Å; E141-M143 PolarHBondContact O-N 3.37Å; E141-K144 PolarHBondContact O-N 3.17Å; E141-K144 VanDerWaalsContact O-N 3.14Å; E141-G145 PolarHBondContact O-N 2.76Å
142	A	91.5	Very high	75.3	Confident	69 Å²	69	109.4 Å²	109.4	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-59.5	-42.7	176.6	0	0	0	0	0	112	K138 F139 K144 G145	K138-A142 WeakPolarHBondContact O-CB 3.49Å; K138-A142 PolarHBondContact O-N 3.28Å; F139-A142 PolarHBondContact O-N 3.39Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.15Å; A142-G145 PolarHBondContact O-N 3.42Å; A142-G145 VanDerWaalsContact O-N 3.13Å
143	M	85.7	Confident	72.4	Confident	104 Å²	104	111.3 Å²	111.3	51%	0.512	60%	0.601	S	S	.	*	H	α-helix	trans	-66.5	-23.7	178.1	-73	-75.4	155.7	0	0	113.7	F139 E141	F139-M143 HydrophobicContact CD1-CG 4.34Å; F139-M143 HydrophobicContact CE1-CE 4.5Å; F139-M143 HydrophobicContact CE1-CG 3.99Å; F139-M143 HydrophobicContact CE2-CE 3.7Å; F139-M143 HydrophobicContact CE2-CG 4.45Å; F139-M143 HydrophobicContact CZ-CE 3.65Å; F139-M143 HydrophobicContact CZ-CG 4.06Å; F139-M143 HydrophobicContact CZ-SD 4.4Å; F139-M143 WeakPolarHBondContact O-CB 3.05Å; F139-M143 VanDerWaalsContact O-CG 3.28Å; F139-M143 WeakPolarHBondContact O-CG 3.04Å; F139-M143 PolarHBondContact O-N 3.24Å; E141-M143 VanDerWaalsContact C-N 3.33Å; E141-M143 PolarHBondContact O-N 3.37Å
144	K	81.8	Confident	69.8	Low	176 Å²	176	113.1 Å²	113.1	77%	0.765	62%	0.62	S	S	*	*	H	α-helix	trans	-82.4	-19.3	174.9	-72.5	171.7	-178	178.4	0	112.9	R140 E141 A142	R140-K144 WeakPolarHBondContact O-CG 3.12Å; R140-K144 PolarHBondContact O-N 2.79Å; E141-K144 PolarHBondContact O-N 3.17Å; E141-K144 VanDerWaalsContact O-N 3.14Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.15Å
145	G	58.3	Low	66.7	Low	45 Å²	45	111.7 Å²	111.7	46%	0.464	63%	0.628	S	S	.	*			trans	-82.8	-8.1	-175.5	0	0	0	0	0	115.5	E141 A142 K147 G148	E141-G145 PolarHBondContact O-N 2.76Å; A142-G145 PolarHBondContact O-N 3.42Å; A142-G145 VanDerWaalsContact O-N 3.13Å; G145-K147 PolarHBondContact O-N 3.14Å; G145-G148 PolarHBondContact O-N 3.27Å; G145-G148 VanDerWaalsContact O-N 3.1Å
146	E	55.5	Low	63.9	Low	162 Å²	162	114.2 Å²	114.2	76%	0.757	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	19.7	-175.2	-146.9	179.6	100.7	0	0	114.8
147	K	49.9	Very low	61.1	Low	217 Å²	217	118.3 Å²	118.3	94%	0.943	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	12.4	159.1	-83.2	-169.2	177	-178.4	0	113.7	G145	G145-K147 PolarHBondContact O-N 3.14Å
148	G	35.1	Very low	58.3	Low	57 Å²	57	120.9 Å²	120.9	59%	0.588	69%	0.692	S	S	*	*	S	Bend	trans	-171.9	116.4	172.4	0	0	0	0	0	114.3	G145	G145-G148 PolarHBondContact O-N 3.27Å; G145-G148 VanDerWaalsContact O-N 3.1Å
149	M	41.5	Very low	55.5	Low	185 Å²	185	119.8 Å²	119.8	91%	0.911	70%	0.7	S	S	*	*			trans	-42	176.6	170.2	-126.6	118.4	66.8	0	0	116.3
150	P	42.5	Very low	52.9	Low	114 Å²	114	124.8 Å²	124.8	74%	0.74	72%	0.724	S	S	*	*			cis	-118.8	-174.3	-23.4	19.5	5.3	0	0	0	111.7
151	G	41.9	Very low	50.3	Low	76 Å²	76	126.2 Å²	126.2	78%	0.784	74%	0.741	S	S	*	*			trans	-36.5	136.3	-173.2	0	0	0	0	0	117.7	A153	G151-A153 PolarHBondContact O-N 3.31Å; G151-A153 VanDerWaalsContact O-N 3.14Å
152	V	40	Very low	47.8	Very low	134 Å²	134	129.2 Å²	129.2	81%	0.812	76%	0.759	S	S	*	*			trans	-70.4	107.5	178.8	-178.5	0	0	0	0	109.4	V154	V152-V154 HydrophobicContact CG1-CG2 4.23Å; V152-V154 PolarHBondContact O-N 3.41Å
153	A	36.3	Very low	45.3	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	77%	0.771	S	S	*	*			trans	-65.6	111.6	154.9	0	0	0	0	0	107.7	G151 G155	G151-A153 PolarHBondContact O-N 3.31Å; G151-A153 VanDerWaalsContact O-N 3.14Å; A153-G155 PolarHBondContact O-N 3.03Å
154	V	43.8	Very low	43.2	Very low	142 Å²	142	133.9 Å²	133.9	86%	0.861	78%	0.781	S	S	*	*			trans	-77.7	106.2	168.4	174.7	0	0	0	0	106.9	V152	V152-V154 HydrophobicContact CG1-CG2 4.23Å; V152-V154 PolarHBondContact O-N 3.41Å
155	G	32.8	Very low	41.1	Very low	62 Å²	62	132.6 Å²	132.6	64%	0.639	78%	0.783	S	S	*	*			trans	-130.4	109.9	176.4	0	0	0	0	0	111.5	A153	A153-G155 PolarHBondContact O-N 3.03Å
156	E	38.7	Very low	40.2	Very low	198 Å²	198	133.9 Å²	133.9	93%	0.925	80%	0.797	S	S	*	*			trans	69	84.9	143.5	-60.9	176.7	124.3	0	0	119.7
157	S	36	Very low	39.2	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	80%	0.798	S	S	*	*	S	Bend		-165.7	135.5	114.4	-157.5	0	0	0	0	109.2
158	L	37.1	Very low	38.6	Very low	159 Å²	159	128.9 Å²	128.9	83%	0.832	79%	0.79	S	S	*	*	S	Bend	trans	97.9	69	-175.8	-49.9	174	0	0	0	115.2
159	S	35.3	Very low	38.8	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	80%	0.797	S	S	*	*			trans	54.7	102.8	131.1	60.6	0	0	0	0	119.5
160	E	39.4	Very low	38.5	Very low	193 Å²	193	129.6 Å²	129.6	90%	0.902	79%	0.791	S	S	*	*				37.1	106	129.9	-71.9	161.5	128.3	0	0	117.9
161	D	40.4	Very low	38.2	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	79%	0.785	S	S	*	*				137.3	68.9	119	-145.9	-3.1	0	0	0	112.3
162	L	40.6	Very low	38	Very low	168 Å²	168	131.2 Å²	131.2	88%	0.88	78%	0.781	S	S	*	*			trans	-147.8	92.4	156.6	-74.1	-177.4	0	0	0	108.9	D164	L162-D164 PolarHBondContact O-N 3.39Å
163	T	38.4	Very low	38.2	Very low	134 Å²	134	128 Å²	128	82%	0.822	77%	0.768	S	S	*	*			trans	-68.9	122.9	168.7	51.3	0	0	0	0	110.9
164	D	41.3	Very low	38.9	Very low	136 Å²	136	125.8 Å²	125.8	73%	0.727	75%	0.754	S	S	*	*				91.8	129	127.5	-154.6	37.3	0	0	0	120.6	L162	L162-D164 PolarHBondContact O-N 3.39Å
165	D	39	Very low	39.6	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	73%	0.732	S	S	*	*			trans	62.3	115.3	161.4	-84.5	-43.8	0	0	0	122.4
166	G	38.2	Very low	41	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	72%	0.717	S	S	*	*			trans	137.3	18.4	140.6	0	0	0	0	0	119.7
167	F	35.9	Very low	42	Very low	179 Å²	179	114.2 Å²	114.2	79%	0.785	68%	0.679	S	S	*	*			trans	-116.1	49.4	173.9	-134.2	-87.2	0	0	0	113.4	L171	F167-L171 HydrophobicContact CE1-CD1 4.31Å; F167-L171 HydrophobicContact CE1-CD2 4.31Å; F167-L171 HydrophobicContact CE1-CG 4.25Å; F167-L171 HydrophobicContact CZ-CD2 4.22Å
168	A	37.1	Very low	42.9	Very low	94 Å²	94	109.5 Å²	109.5	78%	0.777	65%	0.647	S	S	*	*			trans	-109.3	50	168.8	0	0	0	0	0	110.8
169	N	38.2	Very low	43.7	Very low	136 Å²	136	106.9 Å²	106.9	73%	0.727	63%	0.633	S	S	*	*	S	Bend	trans	-115.8	126.1	160.1	-88.6	7	0	0	0	108.1	L171	N169-L171 PolarHBondContact O-N 3.32Å; N169-L171 VanDerWaalsContact O-N 3.15Å
170	P	35.7	Very low	44.7	Very low	122 Å²	122	105 Å²	105	79%	0.792	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-60.2	121.3	170.2	24.6	-29.8	0	0	0	107.9
171	L	36.5	Very low	45	Very low	119 Å²	119	101.7 Å²	101.7	62%	0.623	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62.6	131.1	170.5	-68.6	172	0	0	0	107.4	F167 N169 A173	F167-L171 HydrophobicContact CE1-CD1 4.31Å; F167-L171 HydrophobicContact CE1-CD2 4.31Å; F167-L171 HydrophobicContact CE1-CG 4.25Å; F167-L171 HydrophobicContact CZ-CD2 4.22Å; N169-L171 PolarHBondContact O-N 3.32Å; N169-L171 VanDerWaalsContact O-N 3.15Å; L171-A173 PolarHBondContact O-N 3.13Å; L171-A173 VanDerWaalsContact O-N 3.17Å
172	P	37.8	Very low	45.3	Very low	105 Å²	105	101.8 Å²	101.8	68%	0.682	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-57.2	126	168.1	23.6	-30	0	0	0	107.6	G174	P172-G174 PolarHBondContact O-N 3.14Å
173	A	44.3	Very low	45.2	Very low	66 Å²	66	99.5 Å²	99.5	55%	0.545	60%	0.595	S	S	.	*			trans	-68.9	83.3	172.7	0	0	0	0	0	108.2	L171 I175	L171-A173 PolarHBondContact O-N 3.13Å; L171-A173 VanDerWaalsContact O-N 3.17Å; A173-I175 PolarHBondContact O-N 3.5Å
174	G	50.8	Low	45.2	Very low	49 Å²	49	99.1 Å²	99.1	51%	0.505	59%	0.588	S	S	.	*			trans	-75.5	111.8	175.5	0	0	0	0	0	109.6	P172	P172-G174 PolarHBondContact O-N 3.14Å
175	I	57.5	Low	45.2	Very low	79 Å²	79	97 Å²	97	41%	0.405	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	118.7	165.7	13.8	177.5	0	0	0	107.2	T110 A173 T177 V185	T110-I175 HydrophobicContact CG2-CB 4.11Å; T110-I175 HydrophobicContact CG2-CG2 3.67Å; A173-I175 PolarHBondContact O-N 3.5Å; I175-T177 PolarHBondContact O-N 3.21Å; I175-V185 HydrophobicContact CD1-CG2 4Å; I175-V185 HydrophobicContact CG1-CG2 4.25Å
176	I	62.7	Low	44.9	Very low	62 Å²	62	96.1 Å²	96.1	32%	0.318	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.3	112.1	176.4	-56.5	174.5	0	0	0	107.1	T96 I111	T96-I176 HydrophobicContact CG2-CD1 4.4Å; T96-I176 HydrophobicContact CG2-CG2 4.48Å; I111-I176 HydrophobicContact CD1-CB 4.42Å; I111-I176 HydrophobicContact CD1-CG2 4.04Å; I111-I176 PolarHBondContact N-O 2.93Å; I111-I176 VanDerWaalsContact N-O 3.1Å
177	T	60.7	Low	44.9	Very low	19 Å²	19	97.9 Å²	97.9	12%	0.117	57%	0.569	C	S	.	*	B	Isolated β-bridge	trans	-74.9	141.7	169.7	-48	0	0	0	0	107.5	K109 I175 D179 G180 Q181	K109-T177 HydrophobicContact CB-CG2 4.41Å; K109-T177 CarbonylContact O-C 3.59Å; K109-T177 VanDerWaalsContact O-CA 3.31Å; K109-T177 WeakPolarHBondContact O-CA 3.42Å; K109-T177 WeakPolarHBondContact O-CG2 3.15Å; I175-T177 PolarHBondContact O-N 3.21Å; T177-D179 WeakPolarHBondContact CB-OD1 3.5Å; T177-D179 WeakPolarHBondContact CG2-OD1 3.33Å; T177-D179 PolarHBondContact O-N 3.2Å; T177-G180 PolarHBondContact O-N 3.12Å; T177-Q181 PolarHBondContact OG1-O 3.18Å
178	A	53.8	Low	44.6	Very low	15 Å²	15	98.3 Å²	98.3	12%	0.124	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.7	-10.4	-170.2	0	0	0	0	0	113.1	H104 K109 G180	H104-A178 WeakPolarHBondContact CE1-CB 3.31Å; H104-A178 PolarHBondContact CE1-O 3.27Å; K109-A178 WeakPolarHBondContact O-CB 3.28Å; K109-A178 PolarHBondContact O-N 2.94Å; A178-G180 VanDerWaalsContact C-N 3.32Å
179	D	55	Low	44.7	Very low	103 Å²	103	99.4 Å²	99.4	55%	0.551	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	7.6	170.5	58	4.2	0	0	0	114	T177 Q181	T177-D179 WeakPolarHBondContact CB-OD1 3.5Å; T177-D179 WeakPolarHBondContact CG2-OD1 3.33Å; T177-D179 PolarHBondContact O-N 3.2Å; D179-Q181 VanDerWaalsContact C-N 3.27Å; D179-Q181 PolarHBondContact O-N 3.1Å; D179-Q181 PolarHBondContact OD1-N 2.85Å
180	G	55.5	Low	44.5	Very low	62 Å²	62	99 Å²	99	64%	0.639	57%	0.566	S	S	*	*	S	Bend	trans	77.1	6.2	177.3	0	0	0	0	0	114.6	T177 A178	T177-G180 PolarHBondContact O-N 3.12Å; A178-G180 VanDerWaalsContact C-N 3.32Å
181	Q	45.7	Very low	44.9	Very low	123 Å²	123	98.8 Å²	98.8	58%	0.575	56%	0.563	S	S	*	*			trans	-89.4	107.9	174.4	-62.5	-159	-56.5	0	0	110.8	T177 D179 Q183	T177-Q181 PolarHBondContact OG1-O 3.18Å; D179-Q181 VanDerWaalsContact C-N 3.27Å; D179-Q181 PolarHBondContact O-N 3.1Å; D179-Q181 PolarHBondContact OD1-N 2.85Å; Q181-Q183 PolarHBondContact O-N 3.05Å
182	Q	46	Very low	44.8	Very low	145 Å²	145	96.9 Å²	96.9	68%	0.678	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.1	113.3	165.7	-74.7	176.1	16.8	0	0	109
183	Q	40.2	Very low	44.6	Very low	120 Å²	120	101.7 Å²	101.7	56%	0.561	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.4	110.6	165.9	-78.4	179.7	12.5	0	0	109	Q181 V185	Q181-Q183 PolarHBondContact O-N 3.05Å; Q183-V185 PolarHBondContact O-N 3.27Å
184	N	36.8	Very low	44.4	Very low	126 Å²	126	104.1 Å²	104.1	67%	0.674	58%	0.58	S	S	*	*			trans	-69.4	107.6	166.8	-71.4	-27.8	0	0	0	108.6	M186	N184-M186 PolarHBondContact O-N 3.17Å
185	V	42.3	Very low	43.6	Very low	92 Å²	92	110.6 Å²	110.6	56%	0.558	60%	0.598	S	S	*	*			trans	-75.3	104.9	171.8	-174.9	0	0	0	0	108.2	I175 Q183 V187	I175-V185 HydrophobicContact CD1-CG2 4Å; I175-V185 HydrophobicContact CG1-CG2 4.25Å; Q183-V185 PolarHBondContact O-N 3.27Å; V185-V187 PolarHBondContact O-N 3.25Å
186	M	32	Very low	42.6	Very low	129 Å²	129	114.1 Å²	114.1	64%	0.635	62%	0.616	S	S	*	*			trans	-74.3	103.6	175.1	-161.3	-173.4	-51.1	0	0	109.3	N184 Y188	N184-M186 PolarHBondContact O-N 3.17Å; M186-Y188 HydrophobicContact CB-CE2 4.36Å; M186-Y188 HydrophobicContact CG-CE1 4.26Å; M186-Y188 HydrophobicContact CG-CE2 4.42Å; M186-Y188 PolarHBondContact O-N 3.42Å; M186-Y188 HydrophobicContact SD-CD1 4.13Å; M186-Y188 HydrophobicContact SD-CE1 3.31Å; M186-Y188 WeakPolarHBondContact SD-CE1 3.31Å; M186-Y188 HydrophobicContact SD-CE2 4.13Å; M186-Y188 PolarHBondContact SD-OH 3.08Å
187	V	39.3	Very low	41.5	Very low	111 Å²	111	116.6 Å²	116.6	67%	0.673	64%	0.636	S	S	*	*			trans	-80.4	100.8	173.7	-165.8	0	0	0	0	108	V185 T189	V185-V187 PolarHBondContact O-N 3.25Å; V187-T189 PolarHBondContact O-N 3.2Å; V187-T189 VanDerWaalsContact O-N 3.08Å
188	Y	29.5	Very low	40.3	Very low	187 Å²	187	122.2 Å²	122.2	73%	0.733	67%	0.67	S	S	*	*			trans	-72.6	97.2	173.4	-63.7	-81.8	0	0	0	109.7	M186 T190	M186-Y188 HydrophobicContact CB-CE2 4.36Å; M186-Y188 HydrophobicContact CG-CE1 4.26Å; M186-Y188 HydrophobicContact CG-CE2 4.42Å; M186-Y188 PolarHBondContact O-N 3.42Å; M186-Y188 HydrophobicContact SD-CD1 4.13Å; M186-Y188 HydrophobicContact SD-CE1 3.31Å; M186-Y188 WeakPolarHBondContact SD-CE1 3.31Å; M186-Y188 HydrophobicContact SD-CE2 4.13Å; M186-Y188 PolarHBondContact SD-OH 3.08Å; Y188-T190 PolarHBondContact O-N 3Å; Y188-T190 VanDerWaalsContact O-N 3.16Å
189	T	37.6	Very low	39.5	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	71%	0.707	S	S	*	*			trans	-73.9	102.7	164.3	60.7	0	0	0	0	108.1	V187 T191	V187-T189 PolarHBondContact O-N 3.2Å; V187-T189 VanDerWaalsContact O-N 3.08Å; T189-T191 PolarHBondContact O-N 3.16Å
190	T	35.5	Very low	38.7	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	72%	0.721	S	S	*	*			trans	-67.9	95.3	176	175.1	0	0	0	0	110.8	Y188 A192	Y188-T190 PolarHBondContact O-N 3Å; Y188-T190 VanDerWaalsContact O-N 3.16Å; T190-A192 PolarHBondContact O-N 3.1Å; T190-A192 VanDerWaalsContact O-N 3.1Å
191	T	42.8	Very low	37.8	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	73%	0.734	S	S	*	*			trans	-79	85.1	166.7	54.3	0	0	0	0	109.6	T189	T189-T191 PolarHBondContact O-N 3.16Å
192	A	34.4	Very low	37.3	Very low	78 Å²	78	139.3 Å²	139.3	65%	0.645	74%	0.74	S	S	*	*			trans	-123.8	92.2	167.2	0	0	0	0	0	109.1	T190	T190-A192 PolarHBondContact O-N 3.1Å; T190-A192 VanDerWaalsContact O-N 3.1Å
193	Y	33.7	Very low	36.7	Very low	206 Å²	206	141.2 Å²	141.2	81%	0.808	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-77.8	130.1	168.7	-68.5	-84.9	0	0	0	109.6
194	P	40.4	Very low	36.6	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.7	123.8	163.4	27.2	-27.8	0	0	0	110.1
195	Q	34.7	Very low	37.3	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.9	126.6	175.1	-64.5	-74.9	14	0	0	110.9
196	I	36.8	Very low	37	Very low	153 Å²	153	150.7 Å²	150.7	79%	0.785	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-98.2	130.8	172.3	-56.2	171.3	0	0	0	108.1	T198	I196-T198 PolarHBondContact O-N 3.38Å
197	P	39.1	Very low	37.3	Very low	114 Å²	114	151.8 Å²	151.8	74%	0.74	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.6	119.5	-176.4	27.5	-31.1	0	0	0	113.3
198	T	34.6	Very low	37.2	Very low	136 Å²	136	154.1 Å²	154.1	83%	0.834	82%	0.824	S	S	*	*			trans	21.6	114.7	148.2	56.4	0	0	0	0	119.6	I196	I196-T198 PolarHBondContact O-N 3.38Å
199	V	37.3	Very low	37.6	Very low	150 Å²	150	152.1 Å²	152.1	91%	0.909	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-97.3	131.3	157.4	174	0	0	0	0	109.4
200	Q	39.3	Very low	37.6	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-78.7	128.1	-173.6	-165.8	150.6	7.3	0	0	111.8
201	Q	35.1	Very low	37.8	Very low	194 Å²	194	156.1 Å²	156.1	91%	0.907	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-72	127.9	170.6	-87.5	-170.6	7.8	0	0	110.5
202	I	36.7	Very low	37.4	Very low	139 Å²	139	158.8 Å²	158.8	71%	0.713	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-89.6	125.6	169.7	-62.7	171.5	0	0	0	108	F204	I202-F204 HydrophobicContact CG2-CD2 4.17Å; I202-F204 HydrophobicContact CG2-CE2 3.72Å; I202-F204 HydrophobicContact CG2-CZ 4.1Å
203	Q	33.7	Very low	37.6	Very low	186 Å²	186	165 Å²	165	87%	0.869	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-94.7	131.2	175.1	-162.5	175.3	13.9	0	0	108.3
204	F	37	Very low	38	Very low	190 Å²	190	161.6 Å²	161.6	83%	0.833	87%	0.868	S	S	*	*			trans	-108.5	131.8	164.9	-76.4	-78.8	0	0	0	109.1	I202	I202-F204 HydrophobicContact CG2-CD2 4.17Å; I202-F204 HydrophobicContact CG2-CE2 3.72Å; I202-F204 HydrophobicContact CG2-CZ 4.1Å
205	S	50.9	Low	37.7	Very low	195 Å²	195	165.5 Å²	165.5	100%	1.364	88%	0.878	S	S	*	*			trans	-74.3	0	170	-65.6	0	0	0	0	112.1

Retrieved 205 of 205 residues in 76.9 ms (Link to these results)

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